# chain residue all-atom MC-atom SC-atom SC-polar-atom SC-nonpolar-atom X:3 GLN 3.35 0.29 3.38 0.34 3.32 0.24 3.04 0.07 3.50 0.09 X:4 ILE 3.60 0.32 3.72 0.27 3.48 0.32 nan nan 3.48 0.32 X:5 ARG 3.89 0.42 4.05 0.51 3.80 0.32 3.79 0.39 3.81 0.26 X:6 GLN 3.62 0.46 4.04 0.20 3.28 0.31 2.96 0.06 3.50 0.18 X:7 ASN 3.76 0.43 4.06 0.39 3.45 0.17 3.31 0.13 3.59 0.00 X:8 TYR 6.34 1.72 4.23 0.40 7.39 1.03 8.97 0.00 7.17 0.89 X:9 SER 4.50 0.63 4.57 0.65 4.37 0.56 4.92 0.00 3.81 0.00 X:10 THR 3.67 0.44 4.00 0.27 3.24 0.17 3.23 0.00 3.24 0.21 X:11 GLU 3.78 0.44 4.16 0.26 3.48 0.31 3.37 0.37 3.56 0.23 X:12 VAL 6.90 0.82 6.33 0.42 7.67 0.54 nan nan 7.67 0.54 X:13 GLU 4.78 0.99 5.73 0.40 4.03 0.60 3.49 0.03 4.39 0.54 X:14 ALA 3.79 0.47 3.99 0.29 3.01 0.00 nan nan 3.01 0.00 X:15 ALA 4.67 0.55 4.82 0.52 4.09 0.00 nan nan 4.09 0.00 X:16 VAL 7.74 1.05 6.90 0.43 8.86 0.39 nan nan 8.86 0.39 X:17 ASN 5.11 0.57 5.31 0.39 4.91 0.65 5.12 0.83 4.70 0.24 X:18 ARG 3.84 0.70 4.65 0.52 3.37 0.14 3.25 0.04 3.45 0.12 X:19 LEU 7.87 0.96 7.37 0.93 8.37 0.70 nan nan 8.37 0.70 X:20 VAL 7.15 0.65 7.46 0.39 6.75 0.69 nan nan 6.75 0.69 X:21 ASN 5.65 0.98 6.59 0.21 4.70 0.28 4.54 0.31 4.86 0.14 X:22 LEU 5.66 1.13 6.65 0.34 4.67 0.68 nan nan 4.67 0.68 X:23 TYR 9.12 1.22 7.58 0.57 9.89 0.56 10.04 0.00 9.87 0.59 X:24 LEU 4.66 0.83 5.30 0.64 4.02 0.38 nan nan 4.02 0.38 X:25 ARG 4.96 1.21 6.26 0.10 4.49 1.07 3.71 0.57 5.07 0.99 X:26 ALA 7.05 0.25 6.99 0.23 7.31 0.00 nan nan 7.31 0.00 X:27 SER 5.42 0.69 5.81 0.48 4.64 0.20 4.44 0.00 4.84 0.00 X:28 TYR 4.29 0.82 5.26 0.41 3.81 0.47 3.06 0.00 3.92 0.41 X:29 THR 6.30 0.64 6.82 0.19 5.61 0.28 5.29 0.00 5.77 0.20 X:30 TYR 8.28 0.77 7.32 0.45 8.76 0.30 8.71 0.00 8.77 0.32 X:31 LEU 4.42 0.91 5.15 0.58 3.69 0.51 nan nan 3.69 0.51 X:32 SER 4.09 0.35 4.27 0.30 3.74 0.09 3.64 0.00 3.83 0.00 X:33 LEU 7.41 0.95 6.53 0.42 8.29 0.25 nan nan 8.29 0.25 X:34 GLY 6.20 0.45 6.20 0.45 nan nan nan nan nan nan X:35 PHE 3.68 0.52 4.16 0.57 3.41 0.19 nan nan 3.41 0.19 X:36 TYR 4.88 0.73 4.87 0.59 4.88 0.80 3.32 0.00 5.11 0.57 X:37 PHE 6.78 0.91 5.95 0.66 7.25 0.67 nan nan 7.25 0.67 X:38 ASP 3.90 0.66 4.30 0.62 3.49 0.39 3.15 0.04 3.84 0.26 X:39 ARG 3.84 0.39 4.24 0.30 3.60 0.20 3.53 0.13 3.66 0.23 X:40 ASP 3.34 0.31 3.54 0.28 3.14 0.17 2.98 0.01 3.30 0.11 X:41 ASP 3.51 0.38 3.59 0.34 3.43 0.40 3.54 0.52 3.33 0.19 X:42 VAL 4.26 0.34 4.08 0.29 4.51 0.23 nan nan 4.51 0.23 X:43 ALA 3.83 0.49 3.96 0.46 3.28 0.00 nan nan 3.28 0.00 X:44 LEU 4.74 0.56 4.99 0.41 4.50 0.58 nan nan 4.50 0.58 X:45 CYS 3.96 0.58 4.33 0.28 3.22 0.18 3.04 0.00 3.40 0.00 X:46 GLY 5.04 0.46 5.04 0.46 nan nan nan nan nan nan X:47 VAL 7.74 0.75 7.21 0.41 8.45 0.46 nan nan 8.45 0.46 X:48 CYS 5.45 0.95 6.02 0.43 4.30 0.59 3.71 0.00 4.89 0.00 X:49 HIS 4.10 0.86 5.27 0.16 3.60 0.47 3.37 0.38 3.72 0.47 X:50 PHE 4.92 0.63 4.92 0.29 4.91 0.76 nan nan 4.91 0.76 X:51 PHE 8.37 1.35 6.74 0.28 9.31 0.64 nan nan 9.31 0.64 X:52 CYS 4.44 0.79 5.04 0.45 3.70 0.41 3.44 0.45 3.96 0.00 X:53 GLU 3.98 0.72 4.75 0.26 3.36 0.14 3.20 0.02 3.47 0.06 X:54 LEU 5.73 0.84 6.05 0.82 5.41 0.73 nan nan 5.41 0.73 X:55 ALA 5.95 0.53 6.19 0.27 5.01 0.00 nan nan 5.01 0.00 X:56 GLU 4.68 1.13 5.84 0.45 3.76 0.50 3.26 0.16 4.09 0.35 X:57 GLU 4.85 1.33 6.24 0.38 3.74 0.56 3.34 0.04 4.00 0.59 X:58 LYS 8.06 0.42 7.70 0.21 8.35 0.31 7.81 0.00 8.48 0.17 X:59 ARG 4.39 1.10 5.98 0.41 3.82 0.61 3.47 0.20 4.09 0.67 X:60 GLU 4.18 0.76 4.91 0.50 3.59 0.26 3.34 0.06 3.76 0.21 X:61 GLY 6.80 0.51 6.80 0.51 nan nan nan nan nan nan X:62 ALA 6.13 0.65 6.25 0.67 5.62 0.00 nan nan 5.62 0.00 X:63 GLU 3.74 0.57 4.28 0.44 3.31 0.12 3.18 0.03 3.40 0.07 X:64 ARG 4.30 0.75 4.97 0.44 3.92 0.60 3.45 0.36 4.26 0.50 X:65 LEU 8.20 1.52 6.82 0.33 9.59 0.84 nan nan 9.59 0.84 X:66 LEU 4.45 0.66 4.91 0.54 3.98 0.38 nan nan 3.98 0.38 X:67 LYS 3.73 0.50 4.17 0.32 3.38 0.30 2.92 0.00 3.49 0.22 X:68 MET 6.32 0.86 5.97 0.45 6.68 1.01 7.26 0.00 6.48 1.10 X:69 GLN 6.91 0.43 6.62 0.38 7.14 0.32 7.35 0.35 7.00 0.22 X:70 ASN 3.72 0.64 4.17 0.61 3.27 0.20 3.22 0.27 3.32 0.01 X:71 GLN 3.55 0.32 3.76 0.29 3.38 0.24 3.16 0.19 3.52 0.15 X:72 ARG 4.63 0.60 5.09 0.30 4.37 0.57 4.14 0.37 4.54 0.62 X:73 GLY 5.11 0.37 5.11 0.37 nan nan nan nan nan nan X:74 GLY 5.63 0.35 5.63 0.35 nan nan nan nan nan nan X:75 ARG 3.87 0.66 4.71 0.19 3.39 0.19 3.35 0.22 3.42 0.16 X:76 ALA 3.98 0.42 4.06 0.43 3.67 0.00 nan nan 3.67 0.00 X:77 LEU 4.08 0.75 4.75 0.32 3.42 0.37 nan nan 3.42 0.37 X:78 PHE 3.59 0.36 3.91 0.36 3.42 0.19 nan nan 3.42 0.19 X:79 GLN 3.67 0.39 3.89 0.41 3.49 0.27 3.18 0.06 3.70 0.10 X:80 ASP 3.66 0.45 3.99 0.30 3.33 0.31 3.03 0.04 3.62 0.12 X:81 LEU 3.73 0.37 3.83 0.36 3.63 0.35 nan nan 3.63 0.35 X:82 GLN 4.05 0.72 4.76 0.33 3.49 0.37 3.12 0.03 3.74 0.26 X:83 LYS 3.67 0.58 4.23 0.39 3.22 0.15 3.03 0.00 3.27 0.13 X:84 PRO 4.93 0.40 5.04 0.31 4.78 0.46 nan nan 4.78 0.46 X:85 SER 3.55 0.53 3.81 0.47 3.04 0.01 3.05 0.00 3.03 0.00 X:86 GLN 3.92 0.47 4.29 0.37 3.62 0.28 3.43 0.25 3.75 0.22 X:87 ASP 3.49 0.35 3.77 0.27 3.22 0.17 3.09 0.16 3.35 0.02 X:88 GLU 3.77 0.52 4.22 0.33 3.40 0.31 3.06 0.03 3.63 0.17 X:89 TRP 5.86 0.73 4.96 0.18 6.22 0.53 5.78 0.00 6.27 0.54 X:90 GLY 3.75 0.21 3.75 0.21 nan nan nan nan nan nan X:91 THR 4.35 0.97 4.96 0.82 3.53 0.36 3.72 0.00 3.44 0.41 X:92 THR 6.88 0.81 6.60 0.60 7.25 0.91 6.30 0.00 7.72 0.75 X:93 LEU 4.46 0.79 5.08 0.52 3.84 0.46 nan nan 3.84 0.46 X:94 ASP 3.88 0.51 4.27 0.30 3.50 0.35 3.20 0.20 3.79 0.16 X:95 ALA 6.56 0.73 6.25 0.46 7.77 0.00 nan nan 7.77 0.00 X:96 MET 7.36 1.10 6.42 0.52 8.29 0.63 8.76 0.00 8.13 0.66 X:97 LYS 4.07 0.55 4.30 0.35 3.17 0.00 nan nan 3.17 0.00 X:98 ALA 4.14 0.29 4.19 0.30 3.91 0.00 nan nan 3.91 0.00 X:99 ALA 6.85 0.76 6.52 0.44 8.16 0.00 nan nan 8.16 0.00 X:100 ILE 4.86 0.91 5.64 0.41 4.07 0.53 nan nan 4.07 0.53 X:101 VAL 3.88 0.61 4.33 0.35 3.29 0.29 nan nan 3.29 0.29 X:102 LEU 4.92 0.53 4.98 0.53 4.86 0.52 nan nan 4.86 0.52 X:103 GLU 7.63 1.02 6.57 0.33 8.48 0.42 8.61 0.07 8.40 0.53 X:104 LYS 3.87 0.69 4.45 0.54 3.41 0.36 2.88 0.00 3.54 0.28 X:105 SER 3.78 0.35 3.97 0.22 3.41 0.25 3.65 0.00 3.16 0.00 X:106 LEU 6.61 0.82 6.07 0.54 7.16 0.68 nan nan 7.16 0.68 X:107 ASN 5.20 0.90 5.97 0.27 4.44 0.61 4.15 0.71 4.73 0.25 X:108 GLN 4.06 0.78 4.91 0.15 3.39 0.21 3.23 0.07 3.49 0.20 X:109 ALA 5.30 0.47 5.39 0.49 4.94 0.00 nan nan 4.94 0.00 X:110 LEU 7.64 0.98 6.88 0.35 8.40 0.81 nan nan 8.40 0.81 X:111 LEU 4.17 0.78 4.72 0.70 3.62 0.36 nan nan 3.62 0.36 X:112 ASP 3.73 0.47 4.13 0.30 3.33 0.17 3.16 0.03 3.50 0.06 X:113 LEU 6.31 0.81 5.78 0.50 6.84 0.71 nan nan 6.84 0.71 X:114 HIS 4.48 1.09 5.66 0.40 3.69 0.58 3.30 0.21 3.89 0.61 X:115 ALA 3.78 0.50 3.97 0.36 3.01 0.00 nan nan 3.01 0.00 X:116 LEU 4.22 0.65 4.63 0.65 3.82 0.32 nan nan 3.82 0.32 X:117 GLY 5.53 0.68 5.53 0.68 nan nan nan nan nan nan X:118 SER 3.65 0.53 3.91 0.43 3.13 0.24 2.89 0.00 3.37 0.00 X:119 ALA 3.51 0.35 3.61 0.33 3.11 0.00 nan nan 3.11 0.00 X:120 GLN 3.94 0.51 4.00 0.39 3.90 0.58 3.28 0.03 4.31 0.37 X:121 ALA 3.71 0.40 3.88 0.22 3.02 0.00 nan nan 3.02 0.00 X:122 ASP 5.25 0.75 4.60 0.26 5.89 0.49 5.81 0.68 5.97 0.01 X:123 PRO 3.62 0.37 3.87 0.19 3.30 0.29 nan nan 3.30 0.29 X:124 HIS 4.10 0.68 4.61 0.65 3.77 0.45 3.98 0.58 3.66 0.31 X:125 LEU 7.55 1.11 6.66 0.47 8.43 0.83 nan nan 8.43 0.83 X:126 CYS 4.47 0.66 4.89 0.30 3.61 0.17 3.78 0.00 3.44 0.00 X:127 ASP 4.06 0.76 4.74 0.39 3.38 0.24 3.15 0.05 3.62 0.10 X:128 PHE 5.65 0.71 5.71 0.37 5.61 0.84 nan nan 5.61 0.84 X:129 LEU 7.26 0.99 6.57 0.53 7.94 0.87 nan nan 7.94 0.87 X:130 GLU 3.76 0.66 4.24 0.70 3.38 0.26 3.08 0.01 3.57 0.14 X:131 SER 3.78 0.38 3.88 0.41 3.57 0.19 3.38 0.00 3.76 0.00 X:132 HIS 4.60 0.89 5.38 0.34 4.07 0.75 3.54 0.35 4.34 0.76 X:133 PHE 7.76 0.99 6.55 0.33 8.46 0.39 nan nan 8.46 0.39 X:134 LEU 4.25 0.64 4.64 0.55 3.86 0.45 nan nan 3.86 0.45 X:135 ASP 3.76 0.58 4.29 0.30 3.24 0.18 3.07 0.11 3.40 0.00 X:136 GLU 4.14 0.61 4.71 0.32 3.68 0.32 3.52 0.06 3.78 0.37 X:137 GLU 6.88 0.81 6.14 0.44 7.47 0.50 7.90 0.31 7.19 0.38 X:138 VAL 3.93 0.71 4.35 0.63 3.36 0.30 nan nan 3.36 0.30 X:139 LYS 3.91 0.66 4.56 0.25 3.39 0.32 3.09 0.00 3.46 0.32 X:140 LEU 5.76 0.39 5.92 0.43 5.60 0.27 nan nan 5.60 0.27 X:141 ILE 4.32 0.66 4.65 0.57 3.99 0.56 nan nan 3.99 0.56 X:142 LYS 3.73 0.56 4.27 0.35 3.30 0.22 3.07 0.00 3.35 0.21 X:143 LYS 4.27 0.75 4.98 0.38 3.71 0.41 3.16 0.00 3.85 0.35 X:144 MET 6.80 1.04 5.92 0.47 7.68 0.61 8.11 0.00 7.54 0.64 X:145 GLY 3.94 0.34 3.94 0.34 nan nan nan nan nan nan X:146 ASP 3.89 0.57 4.43 0.20 3.34 0.15 3.22 0.12 3.46 0.05 X:147 HIS 5.33 1.01 6.09 0.63 4.82 0.90 4.48 0.87 4.99 0.87 X:148 LEU 4.79 0.77 5.50 0.33 4.09 0.29 nan nan 4.09 0.29 X:149 THR 4.05 0.66 4.56 0.27 3.36 0.29 3.07 0.00 3.50 0.25 X:150 ASN 4.60 0.91 5.43 0.18 3.76 0.46 3.38 0.16 4.14 0.34 X:151 ILE 6.94 0.83 6.38 0.36 7.50 0.78 nan nan 7.50 0.78 X:152 GLN 3.73 0.69 4.20 0.79 3.36 0.19 3.18 0.13 3.48 0.12 X:153 ARG 3.52 0.29 3.63 0.26 3.48 0.30 3.38 0.24 3.55 0.31 X:154 LEU 4.15 0.48 4.33 0.25 3.97 0.58 nan nan 3.97 0.58 X:155 VAL 3.90 0.54 4.16 0.55 3.54 0.24 nan nan 3.54 0.24 X:156 GLY 3.37 0.17 3.37 0.17 nan nan nan nan nan nan X:157 SER 3.35 0.31 3.49 0.27 3.06 0.09 2.97 0.00 3.14 0.00 X:158 GLN 3.71 0.45 4.16 0.18 3.34 0.22 3.14 0.03 3.48 0.18 X:159 ALA 3.86 0.45 4.06 0.23 3.07 0.00 nan nan 3.07 0.00 X:160 GLY 3.40 0.20 3.40 0.20 nan nan nan nan nan nan X:161 LEU 3.85 0.65 4.29 0.58 3.41 0.34 nan nan 3.41 0.34 X:162 GLY 5.53 0.44 5.53 0.44 nan nan nan nan nan nan X:163 GLU 4.66 0.83 5.50 0.26 3.99 0.41 3.67 0.39 4.20 0.25 X:164 TYR 3.87 0.87 4.98 0.59 3.32 0.18 2.97 0.00 3.36 0.14 X:165 LEU 4.20 0.78 4.91 0.32 3.50 0.36 nan nan 3.50 0.36 X:166 PHE 5.83 0.68 5.45 0.45 6.04 0.69 nan nan 6.04 0.69 X:167 GLU 5.88 0.87 6.34 0.72 5.51 0.80 4.74 0.25 6.03 0.59 X:168 ARG 3.95 0.67 4.43 0.80 3.67 0.34 3.50 0.44 3.79 0.13 X:169 LEU 3.67 0.57 3.99 0.59 3.34 0.30 nan nan 3.34 0.30 X:170 THR 3.83 0.41 3.98 0.40 3.62 0.31 3.34 0.00 3.76 0.29 X:171 LEU 4.99 0.87 4.41 0.41 5.57 0.80 nan nan 5.57 0.80 X:172 LYS 3.45 0.49 3.52 0.52 3.18 0.00 nan nan 3.18 0.00