# chain residue all-atom MC-atom SC-atom SC-polar-atom SC-nonpolar-atom X:1 GLY 3.30 0.24 3.30 0.24 nan nan nan nan nan nan X:2 LEU 4.83 1.03 3.98 0.45 5.69 0.67 nan nan 5.69 0.67 X:3 SER 3.93 0.67 4.28 0.56 3.24 0.04 3.28 0.00 3.20 0.00 X:4 ASP 3.56 0.36 3.90 0.06 3.22 0.16 3.09 0.09 3.36 0.10 X:5 GLY 3.44 0.19 3.44 0.19 nan nan nan nan nan nan X:6 GLU 4.26 0.82 4.83 0.77 3.81 0.52 3.50 0.47 4.01 0.45 X:7 TRP 5.31 0.80 4.98 0.50 5.44 0.86 4.25 0.00 5.57 0.81 X:8 GLN 3.56 0.46 4.00 0.30 3.20 0.16 3.02 0.06 3.33 0.03 X:9 GLN 4.60 1.02 5.59 0.55 3.81 0.46 3.50 0.31 4.02 0.42 X:10 VAL 7.32 0.66 6.81 0.34 7.99 0.25 nan nan 7.99 0.25 X:11 LEU 4.15 0.63 4.34 0.61 3.95 0.59 nan nan 3.95 0.59 X:12 ASN 3.81 0.51 4.20 0.24 3.41 0.40 3.06 0.03 3.76 0.28 X:13 VAL 6.11 0.64 5.76 0.22 6.59 0.70 nan nan 6.59 0.70 X:14 TRP 6.21 0.94 5.70 0.44 6.42 1.00 4.95 0.00 6.58 0.92 X:15 GLY 3.70 0.27 3.70 0.27 nan nan nan nan nan nan X:16 LYS 4.10 0.36 4.15 0.30 4.05 0.40 3.53 0.00 4.18 0.33 X:17 VAL 6.44 0.82 5.85 0.34 7.23 0.59 nan nan 7.23 0.59 X:18 GLU 3.69 0.60 3.95 0.77 3.48 0.27 3.18 0.07 3.68 0.15 X:19 ALA 3.47 0.32 3.56 0.30 3.12 0.00 nan nan 3.12 0.00 X:20 ASP 4.01 0.67 4.57 0.49 3.45 0.17 3.28 0.02 3.62 0.02 X:21 ILE 4.50 0.82 4.99 0.73 4.01 0.58 nan nan 4.01 0.58 X:22 ALA 4.38 0.71 4.65 0.50 3.28 0.00 nan nan 3.28 0.00 X:23 GLY 4.50 0.49 4.50 0.49 nan nan nan nan nan nan X:24 HIS 6.43 1.16 7.20 0.97 5.92 0.99 5.26 0.11 6.25 1.07 X:25 GLY 8.49 0.24 8.49 0.24 nan nan nan nan nan nan X:26 GLN 5.81 1.26 6.98 0.48 4.86 0.83 4.04 0.26 5.41 0.59 X:27 GLU 4.46 0.80 5.22 0.44 3.86 0.41 3.46 0.10 4.12 0.32 X:28 VAL 7.61 0.63 7.13 0.34 8.24 0.23 nan nan 8.24 0.23 X:29 LEU 7.70 0.48 7.79 0.17 7.62 0.64 nan nan 7.62 0.64 X:30 ILE 5.36 0.66 5.75 0.53 4.98 0.54 nan nan 4.98 0.54 X:31 ARG 4.29 0.75 4.97 0.30 3.89 0.64 3.38 0.37 4.28 0.50 X:32 LEU 6.98 0.30 6.73 0.18 7.23 0.16 nan nan 7.23 0.16 X:33 PHE 6.76 1.25 5.55 1.03 7.46 0.74 nan nan 7.46 0.74 X:34 THR 3.76 0.48 3.91 0.57 3.55 0.17 3.39 0.00 3.62 0.15 X:35 GLY 3.72 0.34 3.72 0.34 nan nan nan nan nan nan X:36 HIS 4.40 0.74 5.00 0.44 4.00 0.61 3.51 0.03 4.24 0.62 X:37 PRO 3.72 0.43 4.04 0.24 3.29 0.15 nan nan 3.29 0.15 X:38 GLU 3.68 0.48 4.10 0.41 3.35 0.20 3.22 0.05 3.44 0.21 X:39 THR 6.44 0.44 6.12 0.25 6.86 0.26 7.22 0.00 6.68 0.09 X:40 LEU 5.66 0.74 6.21 0.20 5.11 0.67 nan nan 5.11 0.67 X:41 GLU 3.76 0.68 4.36 0.61 3.29 0.08 3.23 0.05 3.32 0.07 X:42 LYS 3.99 0.54 4.16 0.33 3.84 0.63 3.09 0.00 4.03 0.57 X:43 PHE 4.66 0.50 4.76 0.47 4.61 0.51 nan nan 4.61 0.51 X:44 ASP 3.58 0.33 3.83 0.23 3.32 0.19 3.21 0.14 3.43 0.15 X:45 LYS 3.50 0.27 3.63 0.23 3.40 0.27 3.02 0.00 3.49 0.21 X:46 PHE 5.99 0.45 5.83 0.50 6.08 0.39 nan nan 6.08 0.39 X:47 LYS 4.22 0.70 4.79 0.49 3.97 0.63 3.12 0.12 4.22 0.48 X:48 HIS 3.63 0.30 3.91 0.28 3.44 0.10 3.49 0.00 3.41 0.12 X:49 LEU 5.35 0.61 5.12 0.38 5.57 0.70 nan nan 5.57 0.70 X:50 LYS 3.59 0.57 4.03 0.61 3.24 0.14 3.37 0.00 3.21 0.14 X:51 THR 4.03 0.70 4.51 0.51 3.39 0.30 3.70 0.00 3.23 0.25 X:52 GLU 3.63 0.29 3.86 0.14 3.45 0.24 3.20 0.07 3.62 0.16 X:53 ALA 3.51 0.30 3.63 0.20 3.02 0.00 nan nan 3.02 0.00 X:54 GLU 3.81 0.41 4.10 0.24 3.58 0.36 3.48 0.49 3.64 0.22 X:55 MET 5.87 0.76 6.01 0.31 5.73 1.02 5.44 0.00 5.83 1.16 X:56 LYS 3.77 0.65 4.32 0.62 3.33 0.17 3.32 0.00 3.33 0.19 X:57 ALA 3.52 0.32 3.62 0.28 3.11 0.00 nan nan 3.11 0.00 X:58 SER 4.21 0.55 4.38 0.61 3.88 0.06 3.82 0.00 3.94 0.00 X:59 GLU 3.51 0.36 3.89 0.14 3.21 0.13 3.12 0.06 3.27 0.13 X:60 ASP 4.01 0.78 4.58 0.76 3.44 0.09 3.37 0.08 3.51 0.02 X:61 LEU 7.31 0.92 6.65 0.66 7.97 0.62 nan nan 7.97 0.62 X:62 LYS 4.44 0.91 5.22 0.64 3.82 0.56 3.08 0.00 4.00 0.46 X:63 LYS 3.67 0.49 4.12 0.27 3.30 0.27 2.98 0.00 3.38 0.24 X:64 HIS 4.85 0.78 5.53 0.35 4.56 0.74 4.08 0.17 4.81 0.79 X:65 GLY 6.95 0.21 6.95 0.21 nan nan nan nan nan nan X:66 THR 4.39 0.81 5.04 0.36 3.53 0.24 3.58 0.00 3.51 0.29 X:67 VAL 3.78 0.49 4.12 0.27 3.32 0.30 nan nan 3.32 0.30 X:68 VAL 4.74 0.25 4.81 0.20 4.65 0.28 nan nan 4.65 0.28 X:69 LEU 6.43 0.88 5.66 0.37 7.19 0.49 nan nan 7.19 0.49 X:70 THR 3.84 0.55 4.16 0.46 3.40 0.31 3.49 0.00 3.36 0.37 X:71 ALA 3.80 0.31 3.91 0.26 3.38 0.00 nan nan 3.38 0.00 X:72 LEU 6.44 0.75 5.90 0.59 6.97 0.46 nan nan 6.97 0.46 X:73 GLY 5.03 0.37 5.03 0.37 nan nan nan nan nan nan X:74 GLY 3.82 0.25 3.82 0.25 nan nan nan nan nan nan X:75 ILE 5.71 0.82 5.75 0.77 5.67 0.87 nan nan 5.67 0.87 X:76 LEU 7.78 1.15 6.76 0.45 8.79 0.62 nan nan 8.79 0.62 X:77 LYS 3.80 0.69 4.27 0.78 3.42 0.24 3.21 0.00 3.47 0.24 X:78 LYS 4.04 0.59 4.39 0.19 3.76 0.65 3.30 0.00 3.88 0.68 X:79 LYS 4.23 0.81 4.84 0.59 3.74 0.60 2.96 0.00 3.94 0.51 X:80 GLY 4.05 0.66 4.05 0.66 nan nan nan nan nan nan X:81 HIS 3.56 0.40 3.98 0.25 3.28 0.16 3.24 0.16 3.30 0.16 X:82 HIS 5.23 0.61 4.84 0.47 5.50 0.55 5.43 0.69 5.53 0.46 X:83 GLU 3.70 0.47 4.16 0.32 3.33 0.11 3.35 0.01 3.32 0.14 X:84 ALA 3.46 0.34 3.59 0.25 2.96 0.00 nan nan 2.96 0.00 X:85 GLU 3.78 0.38 3.91 0.28 3.68 0.41 3.79 0.59 3.61 0.20 X:86 LEU 6.25 0.49 6.04 0.44 6.45 0.44 nan nan 6.45 0.44 X:87 LYS 4.42 0.94 5.35 0.26 3.69 0.55 2.89 0.00 3.89 0.42 X:88 PRO 3.67 0.35 3.86 0.26 3.41 0.29 nan nan 3.41 0.29 X:89 LEU 4.63 0.84 5.20 0.65 4.07 0.61 nan nan 4.07 0.61 X:90 ALA 7.06 0.48 6.86 0.32 7.83 0.00 nan nan 7.83 0.00 X:91 GLN 4.14 0.66 4.56 0.63 3.80 0.45 3.38 0.19 4.08 0.35 X:92 SER 4.09 0.59 4.38 0.52 3.50 0.11 3.62 0.00 3.39 0.00 X:93 HIS 5.52 1.17 6.63 0.52 4.79 0.86 4.31 0.41 5.02 0.93 X:94 ALA 5.69 0.74 5.65 0.82 5.82 0.00 nan nan 5.82 0.00 X:95 THR 3.80 0.60 4.17 0.50 3.30 0.25 3.43 0.00 3.24 0.28 X:96 LYS 3.53 0.37 3.81 0.33 3.31 0.24 3.02 0.00 3.38 0.21 X:97 HIS 4.08 0.58 4.58 0.20 3.75 0.50 3.32 0.07 3.96 0.49 X:98 LYS 4.17 0.82 5.03 0.24 3.47 0.31 3.09 0.00 3.57 0.27 X:99 ILE 5.99 0.40 6.18 0.29 5.80 0.40 nan nan 5.80 0.40 X:100 PRO 4.56 0.85 5.21 0.42 3.68 0.32 nan nan 3.68 0.32 X:101 ILE 4.46 0.61 4.97 0.10 3.95 0.47 nan nan 3.95 0.47 X:102 LYS 4.02 0.93 4.91 0.67 3.30 0.24 2.89 0.00 3.40 0.15 X:103 TYR 5.20 0.99 6.19 0.27 4.71 0.84 3.32 0.00 4.91 0.70 X:104 LEU 6.37 0.24 6.37 0.10 6.36 0.32 nan nan 6.36 0.32 X:105 GLU 4.54 1.06 5.66 0.20 3.65 0.43 3.21 0.04 3.94 0.31 X:106 PHE 4.95 0.89 5.73 0.24 4.50 0.81 nan nan 4.50 0.81 X:107 ILE 6.68 0.27 6.80 0.09 6.55 0.33 nan nan 6.55 0.33 X:108 SER 6.19 0.37 6.16 0.40 6.24 0.27 6.51 0.00 5.97 0.00 X:109 ASP 3.86 0.60 4.38 0.42 3.35 0.12 3.23 0.04 3.47 0.00 X:110 ALA 5.86 0.53 5.76 0.55 6.25 0.00 nan nan 6.25 0.00 X:111 ILE 7.66 0.57 7.23 0.33 8.09 0.40 nan nan 8.09 0.40 X:112 ILE 4.78 0.67 5.11 0.47 4.46 0.68 nan nan 4.46 0.68 X:113 HIS 4.01 0.54 4.46 0.34 3.71 0.43 3.34 0.04 3.89 0.42 X:114 VAL 6.12 0.31 6.13 0.23 6.10 0.38 nan nan 6.10 0.38 X:115 LEU 7.77 0.99 6.89 0.40 8.64 0.53 nan nan 8.64 0.53 X:116 HIS 3.94 0.59 4.45 0.65 3.60 0.10 3.64 0.11 3.59 0.08 X:117 SER 3.71 0.42 3.85 0.35 3.41 0.39 3.02 0.00 3.81 0.00 X:118 LYS 4.09 0.48 3.95 0.42 4.20 0.49 3.38 0.00 4.40 0.30 X:119 HIS 4.31 0.52 4.51 0.31 4.18 0.58 3.90 0.50 4.31 0.57 X:120 PRO 3.57 0.39 3.77 0.37 3.31 0.22 nan nan 3.31 0.22 X:121 GLY 3.29 0.22 3.29 0.22 nan nan nan nan nan nan X:122 ASP 3.76 0.45 4.17 0.12 3.35 0.24 3.12 0.01 3.59 0.01 X:123 PHE 5.85 1.22 4.38 0.45 6.69 0.54 nan nan 6.69 0.54 X:124 GLY 3.93 0.49 3.93 0.49 nan nan nan nan nan nan X:125 ALA 3.36 0.24 3.47 0.11 2.93 0.00 nan nan 2.93 0.00 X:126 ASP 3.55 0.35 3.80 0.28 3.30 0.18 3.19 0.20 3.40 0.08 X:127 ALA 5.50 0.69 5.71 0.62 4.66 0.00 nan nan 4.66 0.00 X:128 GLN 4.45 0.90 5.27 0.43 3.78 0.57 3.20 0.11 4.17 0.40 X:129 GLY 3.74 0.26 3.74 0.26 nan nan nan nan nan nan X:130 ALA 5.25 0.76 5.35 0.82 4.88 0.00 nan nan 4.88 0.00 X:131 MET 8.14 1.24 7.08 0.36 9.21 0.81 10.24 0.00 8.87 0.64 X:132 THR 4.54 0.88 5.26 0.31 3.57 0.26 3.73 0.00 3.50 0.28 X:133 LYS 4.12 0.73 4.83 0.25 3.56 0.45 3.12 0.00 3.67 0.44 X:134 ALA 7.22 0.64 6.94 0.34 8.34 0.00 nan nan 8.34 0.00 X:135 LEU 7.14 0.57 6.81 0.46 7.48 0.45 nan nan 7.48 0.45 X:136 GLU 3.89 0.65 4.46 0.55 3.44 0.27 3.14 0.03 3.64 0.14 X:137 LEU 4.33 0.69 4.78 0.56 3.87 0.48 nan nan 3.87 0.48 X:138 PHE 7.18 0.65 7.09 0.42 7.24 0.75 nan nan 7.24 0.75 X:139 ARG 4.69 0.87 5.53 0.65 4.21 0.56 3.91 0.65 4.43 0.34 X:140 ASN 3.90 0.70 4.53 0.26 3.26 0.31 2.99 0.08 3.54 0.18 X:141 ASP 4.21 0.64 4.74 0.34 3.68 0.39 3.37 0.15 3.99 0.30 X:142 ILE 7.03 0.72 6.33 0.24 7.72 0.16 nan nan 7.72 0.16 X:143 ALA 4.10 0.63 4.30 0.54 3.29 0.00 nan nan 3.29 0.00 X:144 ALA 3.56 0.35 3.70 0.24 3.01 0.00 nan nan 3.01 0.00 X:145 LYS 4.96 0.86 5.45 0.55 4.57 0.86 3.44 0.00 4.85 0.72 X:146 TYR 6.48 1.02 5.56 0.46 6.95 0.91 7.76 0.00 6.83 0.92 X:147 LYS 3.57 0.49 4.02 0.33 3.21 0.22 3.01 0.00 3.26 0.22 X:148 GLU 3.56 0.31 3.73 0.35 3.43 0.19 3.27 0.21 3.53 0.06 X:149 LEU 3.98 0.59 3.79 0.47 4.18 0.62 nan nan 4.18 0.62 X:150 GLY 3.41 0.29 3.41 0.29 nan nan nan nan nan nan X:151 PHE 4.54 0.54 4.43 0.09 4.59 0.67 nan nan 4.59 0.67 X:152 GLN 3.43 0.36 3.73 0.31 3.20 0.18 3.07 0.18 3.28 0.12