# chain residue all-atom MC-atom SC-atom SC-polar-atom SC-nonpolar-atom D:1 DA 3.35 0.27 nan nan 3.35 0.27 3.28 0.25 3.41 0.27 D:2 DT 3.32 0.23 nan nan 3.32 0.23 3.23 0.27 3.40 0.14 D:3 DA 3.52 0.31 nan nan 3.52 0.31 3.41 0.29 3.65 0.29 D:4 DA 3.37 0.26 nan nan 3.37 0.26 3.32 0.27 3.42 0.23 E:1 LYS 3.25 0.13 3.27 0.17 3.24 0.10 3.36 0.00 3.21 0.08 E:2 GLU 3.53 0.24 3.60 0.32 3.47 0.13 3.42 0.10 3.51 0.13 E:3 THR 3.91 0.63 4.40 0.31 3.26 0.24 3.26 0.00 3.26 0.29 E:4 ALA 4.00 0.58 4.18 0.49 3.25 0.00 nan nan 3.25 0.00 E:5 ALA 4.25 0.54 4.49 0.27 3.28 0.00 nan nan 3.28 0.00 E:6 ALA 3.87 0.38 4.03 0.22 3.23 0.00 nan nan 3.23 0.00 E:7 LYS 4.49 1.02 5.51 0.29 3.68 0.56 2.93 0.00 3.86 0.46 E:8 PHE 7.07 0.91 6.22 0.26 7.56 0.78 nan nan 7.56 0.78 E:9 GLU 4.02 0.62 4.47 0.62 3.66 0.28 3.38 0.22 3.84 0.14 E:10 ARG 3.99 0.48 4.34 0.49 3.79 0.34 3.98 0.31 3.66 0.28 E:11 GLN 5.78 1.31 6.93 0.68 4.86 0.89 4.00 0.00 5.44 0.70 E:12 HIS 6.49 1.14 7.37 0.31 5.91 1.11 5.28 0.61 6.22 1.17 E:13 MET 4.95 0.57 4.92 0.55 4.99 0.58 5.85 0.00 4.70 0.34 E:14 ASP 4.73 0.50 4.82 0.44 4.64 0.54 4.38 0.60 4.90 0.29 E:15 SER 3.70 0.30 3.81 0.31 3.47 0.06 3.53 0.00 3.40 0.00 E:16 SER 3.38 0.22 3.44 0.23 3.28 0.17 3.45 0.00 3.11 0.00 E:17 THR 4.27 0.49 4.53 0.21 3.92 0.53 4.39 0.00 3.68 0.50 E:18 SER 3.65 0.44 3.93 0.23 3.10 0.04 3.06 0.00 3.13 0.00 E:19 ALA 4.14 0.45 4.36 0.12 3.27 0.00 nan nan 3.27 0.00 E:20 ALA 4.49 0.59 4.36 0.59 5.02 0.00 nan nan 5.02 0.00 E:21 SER 3.55 0.35 3.69 0.35 3.27 0.01 3.26 0.00 3.29 0.00 E:22 SER 3.83 0.43 4.06 0.31 3.37 0.21 3.58 0.00 3.15 0.00 E:23 SER 3.51 0.40 3.76 0.24 3.01 0.10 2.91 0.00 3.12 0.00 E:24 ASN 4.02 0.78 4.70 0.52 3.35 0.11 3.24 0.06 3.45 0.02 E:25 TYR 6.15 0.70 5.86 0.31 6.30 0.78 6.82 0.00 6.22 0.81 E:26 CYS 7.19 0.48 6.97 0.44 7.63 0.08 7.72 0.00 7.55 0.00 E:27 ASN 4.01 0.69 4.39 0.77 3.63 0.25 3.57 0.34 3.70 0.05 E:28 GLN 3.69 0.34 4.00 0.18 3.44 0.20 3.25 0.11 3.57 0.12 E:29 MET 4.93 0.85 5.36 0.48 4.49 0.92 3.82 0.00 4.71 0.96 E:30 MET 7.31 0.84 6.61 0.28 8.02 0.59 8.84 0.00 7.74 0.41 E:31 LYS 3.91 0.72 4.60 0.44 3.36 0.33 2.97 0.00 3.46 0.30 E:32 SER 3.65 0.39 3.86 0.30 3.25 0.16 3.40 0.00 3.09 0.00 E:33 ARG 4.27 0.66 4.72 0.12 4.01 0.70 3.55 0.08 4.35 0.76 E:34 ASN 4.16 0.77 4.88 0.30 3.44 0.26 3.22 0.01 3.67 0.16 E:35 LEU 6.46 0.52 6.12 0.14 6.81 0.53 nan nan 6.81 0.53 E:36 THR 4.98 0.73 4.87 0.80 5.13 0.59 4.48 0.00 5.45 0.45 E:37 LYS 3.66 0.50 3.98 0.46 3.40 0.36 2.99 0.00 3.50 0.33 E:38 ASP 3.67 0.48 3.97 0.50 3.37 0.16 3.34 0.18 3.40 0.12 E:39 ARG 3.98 0.63 4.57 0.64 3.65 0.30 3.79 0.31 3.55 0.25 E:40 CYS 4.53 0.46 4.40 0.51 4.81 0.07 4.74 0.00 4.88 0.00 E:41 LYS 4.33 0.75 4.98 0.50 3.81 0.45 3.73 0.00 3.83 0.50 E:42 PRO 3.79 0.56 4.26 0.05 3.16 0.13 nan nan 3.16 0.13 E:43 VAL 3.87 0.52 4.28 0.23 3.31 0.13 nan nan 3.31 0.13 E:44 ASN 6.07 0.73 5.70 0.54 6.44 0.71 6.58 0.98 6.30 0.12 E:45 THR 6.44 1.10 6.97 1.02 5.73 0.73 4.79 0.00 6.20 0.37 E:46 PHE 8.73 0.75 9.39 0.17 8.35 0.69 nan nan 8.35 0.69 E:47 VAL 8.41 0.92 8.00 0.87 8.96 0.67 nan nan 8.96 0.67 E:48 HIS 6.18 1.07 5.34 1.09 6.74 0.58 7.16 0.30 6.53 0.58 E:49 GLU 4.13 0.57 4.31 0.36 3.99 0.66 3.33 0.22 4.43 0.47 E:50 SER 3.96 0.74 4.29 0.71 3.31 0.09 3.40 0.00 3.22 0.00 E:51 LEU 3.94 0.68 4.34 0.61 3.53 0.47 nan nan 3.53 0.47 E:52 ALA 3.65 0.34 3.80 0.21 3.09 0.00 nan nan 3.09 0.00 E:53 ASP 4.20 0.78 4.86 0.26 3.55 0.56 3.07 0.00 4.03 0.41 E:54 VAL 7.27 0.77 6.67 0.28 8.07 0.40 nan nan 8.07 0.40 E:55 GLN 4.11 0.70 4.68 0.60 3.65 0.33 3.36 0.14 3.84 0.27 E:56 ALA 3.98 0.49 4.19 0.30 3.15 0.00 nan nan 3.15 0.00 E:57 VAL 6.92 0.92 6.27 0.41 7.78 0.67 nan nan 7.78 0.67 E:58 CYS 5.07 0.73 4.97 0.80 5.29 0.52 5.80 0.00 4.77 0.00 E:59 SER 3.60 0.51 3.81 0.49 3.17 0.17 3.00 0.00 3.34 0.00 E:60 GLN 4.32 0.59 4.13 0.43 4.47 0.66 4.05 0.65 4.75 0.50 E:61 LYS 4.13 0.80 4.83 0.50 3.57 0.51 3.11 0.00 3.69 0.51 E:62 ASN 3.72 0.38 3.88 0.36 3.57 0.34 3.61 0.45 3.53 0.14 E:63 VAL 4.17 0.34 4.36 0.33 3.93 0.13 nan nan 3.93 0.13 E:64 ALA 3.56 0.37 3.70 0.28 3.02 0.00 nan nan 3.02 0.00 E:65 CYS 4.84 0.82 4.37 0.56 5.78 0.22 6.00 0.00 5.55 0.00 E:66 LYS 3.58 0.40 3.72 0.48 3.46 0.28 2.97 0.00 3.59 0.14 E:67 ASN 3.55 0.35 3.55 0.33 3.56 0.37 3.66 0.45 3.45 0.21 E:68 GLY 3.37 0.22 3.37 0.22 nan nan nan nan nan nan E:69 GLN 3.84 0.59 4.33 0.48 3.44 0.30 3.13 0.02 3.64 0.21 E:70 THR 3.63 0.45 4.00 0.13 3.14 0.16 3.08 0.00 3.16 0.19 E:71 ASN 4.40 0.71 4.89 0.68 3.90 0.21 4.06 0.06 3.74 0.19 E:72 CYS 6.50 0.38 6.62 0.41 6.25 0.02 6.24 0.00 6.27 0.00 E:73 TYR 5.69 1.50 7.37 0.13 4.86 1.14 3.26 0.00 5.08 1.03 E:74 GLN 5.43 1.48 6.86 0.32 4.29 0.95 3.35 0.07 4.92 0.72 E:75 SER 6.28 0.88 6.01 0.95 6.82 0.27 7.09 0.00 6.55 0.00 E:76 TYR 3.54 0.44 3.89 0.57 3.37 0.19 3.01 0.00 3.42 0.14 E:77 SER 3.93 0.56 4.20 0.49 3.39 0.12 3.51 0.00 3.27 0.00 E:78 THR 3.86 0.52 4.16 0.42 3.45 0.32 3.24 0.00 3.56 0.35 E:79 MET 5.40 0.45 5.37 0.37 5.43 0.51 6.04 0.00 5.23 0.43 E:80 SER 4.90 0.92 5.34 0.81 4.01 0.20 4.21 0.00 3.82 0.00 E:81 ILE 7.31 0.76 7.04 0.54 7.59 0.85 nan nan 7.59 0.85 E:82 THR 7.69 0.71 8.18 0.38 7.02 0.46 7.21 0.00 6.93 0.54 E:83 ASP 5.56 1.25 6.74 0.24 4.38 0.53 4.00 0.35 4.76 0.39 E:84 CYS 7.60 1.04 6.91 0.42 8.96 0.34 9.30 0.00 8.62 0.00 E:85 ARG 3.97 0.77 4.87 0.43 3.45 0.29 3.23 0.25 3.62 0.17 E:86 GLU 4.02 0.62 4.16 0.62 3.90 0.59 3.49 0.29 4.18 0.58 E:87 THR 3.85 0.32 3.99 0.23 3.66 0.32 4.07 0.00 3.46 0.18 E:88 GLY 3.31 0.16 3.31 0.16 nan nan nan nan nan nan E:89 SER 3.44 0.30 3.58 0.28 3.17 0.03 3.13 0.00 3.20 0.00 E:90 SER 4.56 0.54 4.28 0.43 5.12 0.14 5.27 0.00 4.98 0.00 E:91 LYS 3.67 0.49 4.17 0.13 3.28 0.28 2.97 0.00 3.35 0.26 E:92 TYR 3.84 0.48 3.95 0.32 3.78 0.54 3.23 0.00 3.86 0.53 E:93 PRO 3.73 0.51 4.12 0.30 3.21 0.11 nan nan 3.21 0.11 E:94 ASN 3.66 0.51 4.09 0.35 3.24 0.19 3.06 0.02 3.42 0.06 E:95 CYS 4.76 0.67 4.37 0.47 5.53 0.07 5.60 0.00 5.47 0.00 E:96 ALA 4.48 0.77 4.77 0.56 3.32 0.00 nan nan 3.32 0.00 E:97 TYR 6.19 1.28 4.51 0.65 7.03 0.36 6.97 0.00 7.04 0.38 E:98 LYS 3.85 0.81 4.60 0.62 3.24 0.20 3.12 0.00 3.27 0.21 E:99 THR 4.47 0.56 4.25 0.57 4.77 0.37 5.29 0.00 4.52 0.08 E:100 THR 4.04 0.71 4.54 0.50 3.38 0.27 3.28 0.00 3.43 0.32 E:101 GLN 3.88 0.52 3.72 0.39 4.01 0.57 4.52 0.40 3.67 0.39 E:102 ALA 4.19 0.43 4.34 0.36 3.63 0.00 nan nan 3.63 0.00 E:103 ASN 3.53 0.34 3.66 0.36 3.39 0.25 3.38 0.32 3.39 0.16 E:104 LYS 4.38 0.97 5.18 0.78 3.74 0.53 2.97 0.00 3.93 0.41 E:105 HIS 4.98 1.39 6.42 0.75 4.02 0.75 3.67 0.50 4.19 0.79 E:106 ILE 8.72 0.74 8.03 0.33 9.41 0.14 nan nan 9.41 0.14 E:107 ILE 5.69 1.30 6.92 0.38 4.45 0.44 nan nan 4.45 0.44 E:108 VAL 8.85 0.62 8.33 0.13 9.55 0.17 nan nan 9.55 0.17 E:109 ALA 6.54 0.64 6.84 0.21 5.31 0.00 nan nan 5.31 0.00 E:110 CYS 6.08 0.88 5.74 0.87 6.77 0.29 7.06 0.00 6.49 0.00 E:111 GLU 3.84 0.59 4.34 0.46 3.45 0.33 3.07 0.05 3.70 0.15 E:112 GLY 3.33 0.10 3.33 0.10 nan nan nan nan nan nan E:113 ASN 3.44 0.30 3.60 0.32 3.27 0.18 3.14 0.02 3.40 0.16 E:114 PRO 3.67 0.49 4.06 0.25 3.15 0.07 nan nan 3.15 0.07 E:115 TYR 3.73 0.30 4.04 0.33 3.58 0.12 3.36 0.00 3.61 0.10 E:116 VAL 5.09 0.85 5.71 0.53 4.27 0.37 nan nan 4.27 0.37 E:117 PRO 7.11 0.66 6.95 0.42 7.33 0.84 nan nan 7.33 0.84 E:118 VAL 4.58 0.87 4.83 1.03 4.25 0.42 nan nan 4.25 0.42 E:119 HIS 4.24 0.95 5.20 0.72 3.60 0.36 3.46 0.30 3.68 0.36 E:120 PHE 5.49 0.94 4.78 0.62 5.89 0.85 nan nan 5.89 0.85 E:121 ASP 4.74 0.50 4.68 0.55 4.80 0.44 4.40 0.12 5.19 0.25 E:122 ALA 4.53 0.64 4.76 0.52 3.64 0.00 nan nan 3.64 0.00 E:123 SER 4.20 0.53 4.11 0.54 4.38 0.46 3.92 0.00 4.84 0.00 E:124 VAL 3.81 0.53 4.18 0.35 3.45 0.41 3.09 0.00 3.57 0.42