# chain residue all-atom MC-atom SC-atom SC-polar-atom SC-nonpolar-atom F:1 ASP 3.41 0.26 3.47 0.32 3.35 0.17 3.18 0.03 3.52 0.02 F:2 ILE 5.06 0.57 4.70 0.21 5.42 0.59 nan nan 5.42 0.59 F:3 VAL 4.05 0.72 4.64 0.23 3.26 0.24 nan nan 3.26 0.24 F:4 LEU 5.85 1.45 4.59 0.60 7.12 0.79 nan nan 7.12 0.79 F:5 ILE 4.22 0.80 4.98 0.26 3.47 0.27 nan nan 3.47 0.27 F:6 GLN 5.76 1.29 4.50 0.55 6.76 0.69 7.30 0.34 6.40 0.62 F:7 SER 3.53 0.47 3.74 0.45 3.12 0.04 3.15 0.00 3.08 0.00 F:8 THR 4.13 0.66 4.56 0.48 3.56 0.36 3.06 0.00 3.81 0.09 F:9 SER 3.63 0.46 3.93 0.22 3.03 0.08 2.95 0.00 3.11 0.00 F:10 SER 3.70 0.47 3.96 0.38 3.20 0.05 3.14 0.00 3.25 0.00 F:11 LEU 4.17 0.29 4.23 0.34 4.12 0.20 nan nan 4.12 0.20 F:12 SER 3.62 0.41 3.80 0.38 3.27 0.18 3.10 0.00 3.45 0.00 F:13 ALA 4.51 0.44 4.64 0.41 4.00 0.00 nan nan 4.00 0.00 F:14 SER 4.10 0.69 4.53 0.40 3.25 0.14 3.12 0.00 3.39 0.00 F:15 LEU 3.59 0.41 3.68 0.32 3.51 0.46 nan nan 3.51 0.46 F:16 GLY 3.59 0.24 3.59 0.24 nan nan nan nan nan nan F:17 ASP 4.06 0.66 4.53 0.48 3.58 0.43 3.21 0.08 3.95 0.31 F:18 ARG 3.55 0.36 3.88 0.35 3.36 0.21 3.23 0.08 3.46 0.22 F:19 VAL 4.77 0.35 4.68 0.44 4.88 0.07 nan nan 4.88 0.07 F:20 THR 3.63 0.35 3.82 0.34 3.38 0.13 3.49 0.00 3.32 0.12 F:21 ILE 5.70 1.03 4.79 0.22 6.61 0.64 nan nan 6.61 0.64 F:22 SER 4.21 0.83 4.67 0.64 3.29 0.05 3.34 0.00 3.24 0.00 F:23 CYS 6.12 1.30 5.25 0.39 7.87 0.39 8.26 0.00 7.48 0.00 F:24 ARG 4.10 0.91 5.21 0.19 3.46 0.42 3.09 0.16 3.74 0.32 F:25 ALA 5.35 0.96 5.02 0.78 6.69 0.00 nan nan 6.69 0.00 F:26 SER 3.61 0.45 3.68 0.53 3.48 0.17 3.64 0.00 3.31 0.00 F:27 GLN 3.86 0.65 4.34 0.58 3.47 0.38 3.10 0.03 3.71 0.31 F:28 ASP 3.84 0.56 4.25 0.40 3.43 0.35 3.45 0.47 3.42 0.17 F:29 ILE 7.07 1.17 6.03 0.20 8.11 0.72 nan nan 8.11 0.72 F:30 ARG 3.60 0.52 4.13 0.43 3.30 0.25 3.08 0.21 3.46 0.12 F:31 ASN 4.60 1.02 5.50 0.55 3.70 0.41 3.47 0.42 3.93 0.22 F:32 TYR 5.07 1.62 7.11 0.70 4.05 0.76 3.04 0.00 4.20 0.70 F:33 LEU 9.59 0.83 9.03 0.56 10.15 0.65 nan nan 10.15 0.65 F:34 ASN 10.43 1.62 11.78 0.90 9.09 0.92 8.39 0.23 9.78 0.81 F:35 TRP 10.25 1.24 10.91 1.44 9.98 1.03 9.31 0.00 10.05 1.06 F:36 TYR 9.67 1.01 9.51 0.60 9.75 1.15 10.20 0.00 9.69 1.22 F:37 GLN 6.82 1.01 7.78 0.34 6.05 0.65 5.50 0.41 6.42 0.51 F:38 GLN 5.18 1.09 6.14 0.71 4.42 0.65 3.87 0.18 4.78 0.59 F:39 LYS 4.23 0.66 4.82 0.57 3.76 0.15 3.73 0.00 3.76 0.16 F:40 PRO 3.48 0.33 3.56 0.37 3.37 0.22 nan nan 3.37 0.22 F:41 ASP 3.48 0.35 3.47 0.25 3.50 0.43 3.59 0.57 3.40 0.14 F:42 GLY 4.19 0.40 4.19 0.40 nan nan nan nan nan nan F:43 THR 4.67 0.97 5.41 0.53 3.67 0.32 3.95 0.00 3.53 0.31 F:44 VAL 5.76 1.15 4.91 0.75 6.91 0.26 nan nan 6.91 0.26 F:45 LYS 4.22 0.97 5.19 0.50 3.45 0.39 3.02 0.00 3.56 0.36 F:46 LEU 5.54 1.01 4.78 0.50 6.31 0.80 nan nan 6.31 0.80 F:47 LEU 5.99 0.71 6.32 0.41 5.66 0.79 nan nan 5.66 0.79 F:48 ILE 7.76 0.69 8.33 0.44 7.20 0.36 nan nan 7.20 0.36 F:49 TYR 5.35 1.40 6.88 0.52 4.58 1.01 3.11 0.00 4.79 0.91 F:50 TYR 4.49 1.00 5.73 0.57 3.87 0.43 3.10 0.00 3.97 0.35 F:51 THR 5.58 0.64 6.06 0.25 4.93 0.38 5.40 0.00 4.69 0.21 F:52 SER 3.99 0.70 4.34 0.61 3.30 0.17 3.13 0.00 3.47 0.00 F:53 ARG 3.91 0.74 4.68 0.57 3.48 0.38 3.19 0.09 3.70 0.38 F:54 LEU 3.88 0.42 3.90 0.36 3.86 0.48 nan nan 3.86 0.48 F:55 GLN 4.14 0.56 4.56 0.38 3.81 0.45 3.50 0.32 4.02 0.40 F:56 SER 3.41 0.31 3.58 0.24 3.06 0.02 3.04 0.00 3.09 0.00 F:57 GLY 3.24 0.14 3.24 0.14 nan nan nan nan nan nan F:58 VAL 4.23 0.57 3.88 0.31 4.69 0.51 nan nan 4.69 0.51 F:59 PRO 3.86 0.50 4.03 0.55 3.64 0.31 nan nan 3.64 0.31 F:60 SER 3.38 0.32 3.53 0.28 3.07 0.10 2.97 0.00 3.16 0.00 F:61 ARG 4.23 0.42 4.19 0.28 4.25 0.49 4.24 0.69 4.25 0.24 F:62 PHE 6.11 1.12 4.87 0.62 6.81 0.62 nan nan 6.81 0.62 F:63 SER 4.45 0.86 4.96 0.58 3.42 0.04 3.46 0.00 3.38 0.00 F:64 GLY 4.57 0.61 4.57 0.61 nan nan nan nan nan nan F:65 SER 3.97 0.62 4.36 0.34 3.19 0.13 3.06 0.00 3.32 0.00 F:66 GLY 3.69 0.16 3.69 0.16 nan nan nan nan nan nan F:67 SER 3.77 0.43 4.06 0.13 3.17 0.10 3.08 0.00 3.27 0.00 F:68 GLY 4.01 0.62 4.01 0.62 nan nan nan nan nan nan F:69 THR 4.24 0.88 4.82 0.70 3.47 0.31 3.26 0.00 3.57 0.34 F:70 ASP 3.67 0.50 4.08 0.37 3.25 0.13 3.17 0.09 3.34 0.11 F:71 TYR 5.74 1.01 4.37 0.19 6.42 0.36 5.71 0.00 6.52 0.26 F:72 SER 4.72 0.92 5.30 0.47 3.54 0.21 3.33 0.00 3.75 0.00 F:73 LEU 7.79 1.45 6.41 0.32 9.17 0.52 nan nan 9.17 0.52 F:74 THR 5.55 0.79 6.20 0.20 4.68 0.31 4.25 0.00 4.90 0.06 F:75 ILE 7.40 1.11 6.42 0.33 8.37 0.66 nan nan 8.37 0.66 F:76 SER 3.92 0.61 4.27 0.45 3.22 0.01 3.23 0.00 3.21 0.00 F:77 ASN 4.15 0.80 4.91 0.31 3.39 0.17 3.25 0.11 3.53 0.07 F:78 LEU 6.67 1.23 5.62 0.71 7.71 0.61 nan nan 7.71 0.61 F:79 GLU 4.60 1.13 5.74 0.42 3.70 0.57 3.15 0.05 4.06 0.45 F:80 GLN 3.66 0.53 4.19 0.32 3.24 0.14 3.15 0.06 3.30 0.14 F:81 GLU 3.60 0.42 3.87 0.30 3.38 0.37 3.05 0.02 3.59 0.33 F:82 ASP 6.40 0.64 6.08 0.63 6.71 0.47 6.42 0.51 7.00 0.14 F:83 ILE 4.89 0.58 5.21 0.29 4.57 0.62 nan nan 4.57 0.62 F:84 GLY 5.49 0.19 5.49 0.19 nan nan nan nan nan nan F:85 THR 5.00 1.06 5.79 0.62 3.94 0.38 3.41 0.00 4.20 0.03 F:86 TYR 8.62 0.80 7.90 0.62 8.98 0.61 7.82 0.00 9.15 0.46 F:87 PHE 7.73 1.99 9.92 0.97 6.48 1.17 nan nan 6.48 1.17 F:88 CYS 9.22 0.72 9.29 0.70 9.10 0.76 8.34 0.00 9.85 0.00 F:89 GLN 10.03 0.47 10.14 0.39 9.94 0.51 9.78 0.76 10.04 0.17 F:90 GLN 8.46 0.80 8.87 0.65 8.13 0.76 7.37 0.11 8.63 0.56 F:91 GLY 5.44 1.21 5.44 1.21 nan nan nan nan nan nan F:92 ASN 4.32 0.64 4.39 0.72 4.25 0.53 3.82 0.00 4.67 0.44 F:93 THR 4.25 0.77 4.80 0.49 3.50 0.33 3.44 0.00 3.54 0.39 F:94 LEU 3.89 0.45 3.97 0.34 3.81 0.53 nan nan 3.81 0.53 F:95 PRO 5.08 0.82 5.54 0.76 4.46 0.37 nan nan 4.46 0.37 F:96 TRP 6.07 1.36 6.74 0.67 5.80 1.47 6.20 0.00 5.76 1.54 F:97 THR 5.53 0.83 6.04 0.57 4.84 0.58 5.61 0.00 4.45 0.24 F:98 PHE 6.56 1.67 4.80 0.62 7.56 1.18 nan nan 7.56 1.18 F:99 GLY 4.89 0.34 4.89 0.34 nan nan nan nan nan nan F:100 GLY 3.95 0.23 3.95 0.23 nan nan nan nan nan nan F:101 GLY 4.99 0.36 4.99 0.36 nan nan nan nan nan nan F:102 THR 6.17 0.54 5.75 0.31 6.73 0.08 6.76 0.00 6.72 0.10 F:103 LYS 4.30 1.01 5.29 0.58 3.50 0.37 2.96 0.00 3.64 0.29 F:104 LEU 6.94 0.99 6.15 0.51 7.72 0.69 nan nan 7.72 0.69 F:105 GLU 4.27 0.89 5.19 0.36 3.53 0.34 3.21 0.23 3.75 0.21 F:106 ILE 4.07 0.58 4.09 0.49 4.05 0.66 nan nan 4.05 0.66 F:107 ARG 3.67 0.50 3.78 0.50 3.25 0.00 nan nan 3.25 0.00 F:108 ARG 2.95 0.00 2.95 0.00 nan nan nan nan nan nan F:1004 LEU 4.72 0.93 3.88 0.38 5.56 0.40 nan nan 5.56 0.40 F:1005 GLN 3.68 0.53 4.25 0.20 3.23 0.14 3.14 0.15 3.28 0.10 F:1006 GLN 6.00 1.42 4.54 0.56 7.16 0.57 7.55 0.22 6.91 0.59 F:1007 SER 3.90 0.31 3.99 0.22 3.71 0.38 4.09 0.00 3.33 0.00 F:1008 GLY 3.64 0.38 3.64 0.38 nan nan nan nan nan nan F:1009 PRO 3.62 0.43 3.92 0.31 3.22 0.17 nan nan 3.22 0.17 F:1010 GLU 4.05 0.48 4.43 0.24 3.75 0.40 3.40 0.13 3.98 0.34 F:1011 LEU 3.54 0.38 3.75 0.38 3.33 0.22 nan nan 3.33 0.22 F:1012 VAL 4.65 0.30 4.65 0.32 4.64 0.27 nan nan 4.64 0.27 F:1013 LYS 3.74 0.68 4.46 0.26 3.17 0.20 2.89 0.00 3.24 0.17 F:1014 PRO 3.54 0.43 3.79 0.39 3.22 0.21 nan nan 3.22 0.21 F:1015 GLY 3.50 0.22 3.50 0.22 nan nan nan nan nan nan F:1016 ALA 4.17 0.65 4.37 0.57 3.38 0.00 nan nan 3.38 0.00 F:1017 SER 3.75 0.37 3.84 0.42 3.58 0.12 3.46 0.00 3.70 0.00 F:1018 VAL 4.58 0.68 4.15 0.30 5.14 0.62 nan nan 5.14 0.62 F:1019 LYS 3.69 0.39 3.91 0.35 3.52 0.33 2.98 0.00 3.66 0.22 F:1020 ILE 6.27 1.16 5.36 0.22 7.18 1.00 nan nan 7.18 1.00 F:1021 SER 4.63 0.73 5.12 0.17 3.66 0.36 3.30 0.00 4.01 0.00 F:1022 CYS 6.50 1.04 5.81 0.33 7.88 0.37 8.25 0.00 7.52 0.00 F:1023 LYS 4.11 0.79 4.91 0.21 3.47 0.40 3.12 0.00 3.56 0.41 F:1024 ASP 5.24 0.62 5.04 0.60 5.44 0.57 5.11 0.57 5.77 0.33 F:1025 SER 3.52 0.44 3.72 0.42 3.13 0.08 3.06 0.00 3.21 0.00 F:1026 GLY 3.87 0.19 3.87 0.19 nan nan nan nan nan nan F:1027 TYR 3.37 0.24 3.58 0.26 3.26 0.13 3.07 0.00 3.29 0.11 F:1028 ALA 4.60 0.61 4.87 0.33 3.54 0.00 nan nan 3.54 0.00 F:1029 PHE 6.33 0.98 5.85 0.57 6.61 1.06 nan nan 6.61 1.06 F:1030 SER 4.09 0.57 4.42 0.38 3.45 0.25 3.19 0.00 3.70 0.00 F:1031 SER 3.78 0.55 4.07 0.45 3.19 0.01 3.18 0.00 3.20 0.00 F:1032 SER 5.37 0.81 5.74 0.65 4.62 0.53 4.09 0.00 5.16 0.00 F:1033 TRP 5.85 1.63 7.82 1.32 5.06 0.92 3.94 0.00 5.19 0.88 F:1034 MET 10.73 0.92 11.12 0.62 10.34 1.00 10.18 0.00 10.39 1.14 F:1035 ASN 11.50 1.25 12.56 0.32 10.43 0.87 9.74 0.45 11.13 0.58 F:1036 TRP 11.32 1.11 12.19 0.79 10.97 1.03 10.87 0.00 10.98 1.08 F:1037 VAL 10.55 0.73 10.61 0.82 10.46 0.57 nan nan 10.46 0.57 F:1038 LYS 6.84 1.40 7.95 0.80 5.96 1.14 4.37 0.00 6.36 0.91 F:1039 GLN 4.98 0.99 5.74 0.83 4.36 0.59 3.89 0.12 4.68 0.58 F:1040 ARG 4.34 0.65 4.95 0.29 3.99 0.53 3.52 0.30 4.34 0.37 F:1041 PRO 3.49 0.33 3.75 0.15 3.15 0.09 nan nan 3.15 0.09 F:1042 GLY 3.38 0.22 3.38 0.22 nan nan nan nan nan nan F:1043 GLN 4.00 0.74 4.72 0.31 3.42 0.42 3.00 0.05 3.71 0.29 F:1044 GLY 3.88 0.21 3.88 0.21 nan nan nan nan nan nan F:1045 PRO 5.76 0.93 5.07 0.55 6.68 0.39 nan nan 6.68 0.39 F:1046 GLU 4.73 1.16 5.83 0.78 3.84 0.40 3.58 0.22 4.01 0.40 F:1047 TRP 7.32 1.16 6.71 0.53 7.56 1.25 9.18 0.00 7.38 1.19 F:1048 ILE 8.94 0.71 8.38 0.38 9.50 0.48 nan nan 9.50 0.48 F:1049 GLY 9.01 0.82 9.01 0.82 nan nan nan nan nan nan F:1050 ARG 6.72 1.81 8.35 0.55 5.79 1.62 4.53 0.70 6.73 1.45 F:1051 ILE 6.87 1.56 8.08 0.56 5.65 1.27 nan nan 5.65 1.27 F:1052 TYR 5.18 1.30 5.71 0.98 4.79 1.36 3.05 0.00 4.96 1.31 F:1053 GLY 4.00 0.64 4.00 0.64 nan nan nan nan nan nan F:1054 ASP 3.60 0.47 3.65 0.44 3.55 0.49 3.64 0.65 3.47 0.21 F:1055 GLY 3.63 0.23 3.63 0.23 nan nan nan nan nan nan F:1056 ASP 4.04 0.84 4.70 0.66 3.38 0.33 3.08 0.07 3.68 0.19 F:1057 THR 4.23 0.52 4.37 0.50 4.03 0.48 3.36 0.00 4.37 0.08 F:1058 ASN 4.34 0.71 4.86 0.53 3.82 0.42 3.56 0.41 4.08 0.22 F:1059 TYR 4.15 0.53 4.12 0.48 4.17 0.55 3.59 0.00 4.25 0.54 F:1060 ASN 4.76 0.52 4.95 0.27 4.56 0.63 4.05 0.18 5.07 0.50 F:1061 GLY 3.41 0.18 3.41 0.18 nan nan nan nan nan nan F:1062 LYS 3.44 0.27 3.61 0.29 3.31 0.17 3.03 0.00 3.38 0.11 F:1063 PHE 5.42 0.37 5.14 0.14 5.58 0.37 nan nan 5.58 0.37 F:1064 LYS 3.62 0.56 4.02 0.58 3.30 0.25 2.96 0.00 3.39 0.21 F:1065 GLY 3.35 0.20 3.35 0.20 nan nan nan nan nan nan F:1066 LYS 4.45 0.59 4.78 0.50 4.19 0.53 3.61 0.00 4.33 0.49 F:1067 ALA 5.37 0.91 5.00 0.59 6.85 0.00 nan nan 6.85 0.00 F:1068 THR 4.41 0.88 5.11 0.40 3.49 0.34 3.19 0.00 3.64 0.33 F:1069 LEU 5.93 1.52 4.61 0.70 7.26 0.80 nan nan 7.26 0.80 F:1070 THR 4.31 0.74 4.84 0.51 3.61 0.27 3.93 0.00 3.44 0.17 F:1071 ALA 4.02 0.55 3.86 0.50 4.66 0.00 nan nan 4.66 0.00 F:1072 ASP 4.09 0.73 4.68 0.56 3.51 0.26 3.31 0.16 3.71 0.19 F:1073 LYS 3.60 0.38 3.76 0.35 3.48 0.36 3.00 0.00 3.60 0.30 F:1074 SER 3.33 0.24 3.42 0.24 3.16 0.11 3.27 0.00 3.05 0.00 F:1075 SER 3.94 0.38 4.15 0.21 3.51 0.28 3.79 0.00 3.23 0.00 F:1076 SER 4.90 0.98 5.48 0.59 3.74 0.42 3.32 0.00 4.15 0.00 F:1077 THR 5.55 1.00 6.39 0.25 4.45 0.34 4.00 0.00 4.67 0.17 F:1078 ALA 7.71 0.78 7.35 0.32 9.17 0.00 nan nan 9.17 0.00 F:1079 TYR 5.01 1.48 6.94 0.26 4.04 0.68 3.14 0.00 4.17 0.63 F:1080 MET 8.74 1.61 7.34 0.33 10.14 1.08 10.89 0.00 9.88 1.14 F:1081 GLN 4.81 1.31 6.15 0.26 3.73 0.68 3.09 0.05 4.16 0.55 F:1082 LEU 5.58 1.87 4.92 0.90 6.45 2.39 3.20 0.20 7.11 2.07 F:1083 THR 4.13 0.79 4.71 0.52 3.36 0.20 3.55 0.00 3.26 0.18 F:1084 SER 3.65 0.45 3.95 0.18 3.05 0.05 3.00 0.00 3.11 0.00 F:1085 VAL 4.26 0.79 4.90 0.30 3.40 0.24 nan nan 3.40 0.24 F:1086 ASP 5.71 0.83 6.28 0.44 5.13 0.73 4.58 0.22 5.68 0.64 F:1087 SER 4.25 0.63 4.60 0.48 3.55 0.09 3.64 0.00 3.46 0.00 F:1088 ALA 4.61 0.42 4.42 0.18 5.38 0.00 nan nan 5.38 0.00 F:1089 VAL 4.62 1.08 5.37 0.78 3.62 0.41 nan nan 3.62 0.41 F:1090 TYR 8.38 0.99 7.33 0.49 8.90 0.73 7.68 0.00 9.08 0.60 F:1091 PHE 7.68 1.96 9.79 1.08 6.47 1.15 nan nan 6.47 1.15 F:1092 CYS 9.18 0.77 9.11 0.75 9.34 0.81 8.53 0.00 10.14 0.00 F:1093 ALA 9.32 0.76 9.48 0.76 8.65 0.00 nan nan 8.65 0.00 F:1094 ARG 6.64 1.63 8.26 0.51 5.71 1.29 4.69 0.58 6.47 1.14 F:1095 SER 6.81 0.85 6.45 0.83 7.55 0.05 7.50 0.00 7.59 0.00 F:1096 GLY 3.92 0.61 3.92 0.61 nan nan nan nan nan nan F:1097 LEU 3.47 0.29 3.58 0.25 3.35 0.28 nan nan 3.35 0.28 F:1098 LEU 4.36 0.68 4.80 0.52 3.91 0.49 nan nan 3.91 0.49 F:1099 ARG 3.98 0.88 4.97 0.67 3.42 0.29 3.14 0.19 3.62 0.17 F:1100 TYR 6.87 2.10 7.00 1.03 6.76 2.74 8.15 3.56 6.50 2.48 F:1101 ASP 4.76 0.78 4.99 0.96 4.54 0.43 4.47 0.59 4.60 0.07 F:1102 TYR 4.21 0.82 5.01 0.55 3.81 0.60 3.00 0.00 3.92 0.56 F:1103 TRP 6.34 2.04 4.13 0.42 7.22 1.74 6.49 0.00 7.30 1.81 F:1104 GLY 4.94 0.20 4.94 0.20 nan nan nan nan nan nan F:1105 GLN 3.92 0.39 4.20 0.31 3.70 0.30 3.91 0.25 3.57 0.25 F:1106 GLY 4.63 0.57 4.63 0.57 nan nan nan nan nan nan F:1107 THR 5.29 0.49 4.93 0.35 5.76 0.03 5.73 0.00 5.78 0.02 F:1108 SER 4.19 0.74 4.62 0.51 3.33 0.08 3.25 0.00 3.41 0.00 F:1109 VAL 6.35 1.18 5.39 0.52 7.61 0.30 nan nan 7.61 0.30 F:1110 THR 4.30 0.85 4.99 0.37 3.38 0.18 3.47 0.00 3.34 0.21 F:1111 VAL 4.76 0.76 4.39 0.66 5.26 0.57 nan nan 5.26 0.57 F:1112 SER 3.63 0.38 3.73 0.44 3.43 0.06 3.49 0.00 3.37 0.00 F:1113 SER 3.01 0.00 3.01 0.00 nan nan nan nan nan nan