# chain residue all-atom MC-atom SC-atom SC-polar-atom SC-nonpolar-atom X:1 GLY 3.24 0.21 3.24 0.21 nan nan nan nan nan nan X:2 LEU 4.78 1.15 3.76 0.40 5.79 0.64 nan nan 5.79 0.64 X:3 SER 3.83 0.60 4.10 0.57 3.30 0.17 3.47 0.00 3.13 0.00 X:4 ASP 3.47 0.34 3.78 0.10 3.17 0.18 3.10 0.18 3.25 0.14 X:5 GLY 3.50 0.27 3.50 0.27 nan nan nan nan nan nan X:6 GLU 4.40 0.92 5.09 0.88 3.86 0.49 3.59 0.41 4.03 0.45 X:7 TRP 5.45 0.93 5.30 0.51 5.51 1.05 3.97 0.00 5.68 0.97 X:8 GLN 3.63 0.52 4.13 0.23 3.24 0.29 2.95 0.02 3.43 0.22 X:9 GLN 4.63 0.91 5.45 0.55 3.97 0.50 3.56 0.01 4.23 0.49 X:10 VAL 7.48 0.79 6.85 0.33 8.33 0.25 nan nan 8.33 0.25 X:11 LEU 4.11 0.67 4.30 0.66 3.91 0.62 nan nan 3.91 0.62 X:12 ASN 3.88 0.55 4.31 0.31 3.45 0.36 3.13 0.17 3.76 0.17 X:13 VAL 6.47 0.72 6.09 0.20 6.96 0.85 nan nan 6.96 0.85 X:14 TRP 6.51 1.16 5.74 0.41 6.82 1.21 5.06 0.00 7.01 1.12 X:15 GLY 3.67 0.27 3.67 0.27 nan nan nan nan nan nan X:16 LYS 4.03 0.39 4.08 0.31 3.98 0.45 3.34 0.00 4.14 0.35 X:17 VAL 6.74 0.91 6.02 0.33 7.70 0.42 nan nan 7.70 0.42 X:18 GLU 3.77 0.66 4.13 0.81 3.48 0.24 3.21 0.12 3.66 0.09 X:19 ALA 3.62 0.42 3.74 0.38 3.15 0.00 nan nan 3.15 0.00 X:20 ASP 3.94 0.73 4.55 0.52 3.33 0.23 3.12 0.15 3.53 0.04 X:21 ILE 4.54 0.77 5.00 0.70 4.08 0.53 nan nan 4.08 0.53 X:22 ALA 4.43 0.80 4.73 0.60 3.24 0.00 nan nan 3.24 0.00 X:23 GLY 4.78 0.43 4.78 0.43 nan nan nan nan nan nan X:24 HIS 6.38 1.06 7.09 0.75 5.91 0.97 5.29 0.09 6.22 1.05 X:25 GLY 8.34 0.28 8.34 0.28 nan nan nan nan nan nan X:26 GLN 5.96 1.20 7.08 0.38 5.06 0.82 4.26 0.12 5.60 0.63 X:27 GLU 4.33 0.84 5.15 0.44 3.67 0.36 3.32 0.01 3.90 0.30 X:28 VAL 7.50 0.70 6.94 0.34 8.26 0.05 nan nan 8.26 0.05 X:29 LEU 7.98 0.42 8.03 0.29 7.94 0.52 nan nan 7.94 0.52 X:30 ILE 5.41 0.69 5.71 0.69 5.12 0.54 nan nan 5.12 0.54 X:31 ARG 4.11 0.67 4.77 0.22 3.73 0.54 3.28 0.35 4.07 0.40 X:32 LEU 7.02 0.58 6.51 0.26 7.54 0.27 nan nan 7.54 0.27 X:33 PHE 6.60 1.18 5.47 1.01 7.25 0.67 nan nan 7.25 0.67 X:34 THR 3.74 0.50 3.91 0.60 3.51 0.14 3.36 0.00 3.58 0.12 X:35 GLY 3.62 0.33 3.62 0.33 nan nan nan nan nan nan X:36 HIS 4.47 0.77 5.08 0.44 4.06 0.66 3.53 0.06 4.32 0.67 X:37 PRO 3.77 0.41 4.09 0.18 3.33 0.15 nan nan 3.33 0.15 X:38 GLU 3.57 0.33 3.83 0.28 3.37 0.20 3.33 0.09 3.39 0.24 X:39 THR 6.39 0.55 6.02 0.40 6.89 0.26 7.24 0.00 6.71 0.07 X:40 LEU 5.54 0.84 6.19 0.10 4.89 0.75 nan nan 4.89 0.75 X:41 GLU 3.72 0.67 4.25 0.67 3.29 0.16 3.13 0.05 3.40 0.12 X:42 LYS 3.95 0.54 4.11 0.37 3.83 0.61 3.07 0.00 4.02 0.54 X:43 PHE 4.72 0.50 4.88 0.41 4.64 0.53 nan nan 4.64 0.53 X:44 ASP 3.60 0.36 3.87 0.24 3.32 0.21 3.15 0.14 3.49 0.10 X:45 LYS 3.52 0.32 3.80 0.23 3.30 0.18 3.11 0.00 3.35 0.17 X:46 PHE 6.00 0.46 5.66 0.31 6.20 0.41 nan nan 6.20 0.41 X:47 LYS 3.88 0.67 4.32 0.64 3.52 0.44 3.05 0.00 3.63 0.42 X:48 HIS 3.59 0.36 3.97 0.28 3.34 0.09 3.34 0.10 3.35 0.09 X:49 LEU 5.10 0.70 4.88 0.57 5.32 0.74 nan nan 5.32 0.74 X:50 LYS 3.56 0.52 3.94 0.57 3.26 0.11 3.17 0.00 3.28 0.11 X:51 THR 3.90 0.60 4.29 0.45 3.39 0.32 3.72 0.00 3.22 0.26 X:52 GLU 3.73 0.43 4.10 0.27 3.44 0.29 3.12 0.09 3.66 0.13 X:53 ALA 3.55 0.28 3.69 0.13 3.03 0.00 nan nan 3.03 0.00 X:54 GLU 3.79 0.41 4.07 0.23 3.56 0.38 3.59 0.56 3.54 0.18 X:55 MET 5.76 0.82 6.10 0.31 5.42 1.01 5.13 0.00 5.51 1.15 X:56 LYS 3.81 0.73 4.41 0.69 3.33 0.25 3.06 0.00 3.40 0.23 X:57 ALA 3.54 0.39 3.66 0.34 3.04 0.00 nan nan 3.04 0.00 X:58 SER 4.36 0.52 4.52 0.57 4.02 0.07 3.95 0.00 4.10 0.00 X:59 GLU 3.53 0.30 3.83 0.10 3.30 0.17 3.29 0.00 3.30 0.21 X:60 ASP 4.05 0.71 4.56 0.69 3.54 0.09 3.50 0.10 3.58 0.06 X:61 LEU 7.42 1.03 6.62 0.57 8.23 0.69 nan nan 8.23 0.69 X:62 LYS 4.41 0.87 5.15 0.54 3.83 0.59 2.95 0.00 4.05 0.44 X:63 LYS 3.71 0.55 4.22 0.28 3.30 0.32 2.90 0.00 3.40 0.28 X:64 HIS 4.94 0.94 5.77 0.36 4.38 0.79 3.82 0.04 4.66 0.84 X:65 GLY 7.14 0.24 7.14 0.24 nan nan nan nan nan nan X:66 THR 4.41 0.84 5.06 0.47 3.55 0.28 3.55 0.00 3.56 0.35 X:67 VAL 3.85 0.50 4.20 0.27 3.37 0.31 nan nan 3.37 0.31 X:68 VAL 4.89 0.31 4.98 0.20 4.77 0.38 nan nan 4.77 0.38 X:69 LEU 6.95 0.99 6.07 0.42 7.83 0.49 nan nan 7.83 0.49 X:70 THR 4.00 0.64 4.34 0.61 3.55 0.31 3.65 0.00 3.50 0.36 X:71 ALA 3.95 0.35 4.06 0.28 3.47 0.00 nan nan 3.47 0.00 X:72 LEU 6.34 0.67 5.92 0.54 6.77 0.49 nan nan 6.77 0.49 X:73 GLY 4.91 0.41 4.91 0.41 nan nan nan nan nan nan X:74 GLY 3.66 0.26 3.66 0.26 nan nan nan nan nan nan X:75 ILE 5.74 0.82 5.77 0.80 5.71 0.84 nan nan 5.71 0.84 X:76 LEU 7.85 1.21 6.78 0.48 8.93 0.64 nan nan 8.93 0.64 X:77 LYS 3.82 0.69 4.26 0.81 3.47 0.25 3.16 0.00 3.55 0.21 X:78 LYS 4.01 0.55 4.19 0.25 3.88 0.67 3.24 0.00 4.04 0.66 X:79 LYS 4.21 0.77 4.76 0.57 3.76 0.61 2.97 0.00 3.96 0.52 X:80 GLY 4.08 0.61 4.08 0.61 nan nan nan nan nan nan X:81 HIS 3.45 0.35 3.79 0.27 3.22 0.15 3.23 0.19 3.22 0.12 X:82 HIS 5.30 0.65 4.90 0.57 5.57 0.55 5.47 0.68 5.62 0.46 X:83 GLU 3.72 0.44 4.18 0.16 3.35 0.15 3.38 0.08 3.33 0.18 X:84 ALA 3.54 0.28 3.64 0.21 3.11 0.00 nan nan 3.11 0.00 X:85 GLU 3.83 0.38 3.90 0.24 3.78 0.45 3.88 0.65 3.71 0.22 X:86 LEU 6.55 0.58 6.06 0.39 7.05 0.18 nan nan 7.05 0.18 X:87 LYS 4.57 0.99 5.55 0.24 3.78 0.58 2.91 0.00 4.00 0.43 X:88 PRO 3.75 0.42 3.96 0.34 3.47 0.36 nan nan 3.47 0.36 X:89 LEU 4.54 0.81 5.12 0.61 3.95 0.48 nan nan 3.95 0.48 X:90 ALA 7.24 0.51 7.04 0.34 8.05 0.00 nan nan 8.05 0.00 X:91 GLN 4.25 0.68 4.74 0.57 3.86 0.48 3.45 0.29 4.14 0.36 X:92 SER 4.26 0.74 4.65 0.60 3.47 0.14 3.62 0.00 3.33 0.00 X:93 HIS 5.48 1.22 6.69 0.53 4.68 0.82 4.21 0.40 4.91 0.88 X:94 ALA 5.47 0.83 5.49 0.93 5.35 0.00 nan nan 5.35 0.00 X:95 THR 3.83 0.53 4.16 0.44 3.38 0.23 3.44 0.00 3.36 0.28 X:96 LYS 3.54 0.40 3.83 0.35 3.31 0.25 2.93 0.00 3.40 0.19 X:97 HIS 3.98 0.57 4.45 0.34 3.67 0.47 3.31 0.09 3.85 0.48 X:98 LYS 4.00 0.82 4.89 0.22 3.29 0.21 3.04 0.00 3.36 0.19 X:99 ILE 6.19 0.44 6.50 0.18 5.87 0.39 nan nan 5.87 0.39 X:100 PRO 4.72 0.72 5.23 0.34 4.05 0.50 nan nan 4.05 0.50 X:101 ILE 4.24 0.58 4.68 0.10 3.81 0.55 nan nan 3.81 0.55 X:102 LYS 3.92 0.80 4.66 0.62 3.32 0.20 3.03 0.00 3.39 0.15 X:103 TYR 5.27 1.12 6.28 0.49 4.76 0.99 3.11 0.00 4.99 0.82 X:104 LEU 6.29 0.20 6.37 0.07 6.21 0.25 nan nan 6.21 0.25 X:105 GLU 4.48 1.10 5.63 0.21 3.56 0.47 3.12 0.08 3.86 0.38 X:106 PHE 5.06 0.83 5.78 0.25 4.65 0.76 nan nan 4.65 0.76 X:107 ILE 6.82 0.28 6.94 0.14 6.70 0.32 nan nan 6.70 0.32 X:108 SER 6.13 0.46 6.11 0.54 6.17 0.23 6.41 0.00 5.94 0.00 X:109 ASP 3.94 0.59 4.41 0.47 3.48 0.21 3.27 0.01 3.69 0.04 X:110 ALA 5.76 0.46 5.69 0.48 6.08 0.00 nan nan 6.08 0.00 X:111 ILE 7.72 0.59 7.22 0.32 8.22 0.33 nan nan 8.22 0.33 X:112 ILE 4.66 0.66 5.07 0.41 4.25 0.60 nan nan 4.25 0.60 X:113 HIS 3.95 0.48 4.37 0.27 3.67 0.38 3.35 0.02 3.83 0.37 X:114 VAL 5.90 0.37 5.95 0.32 5.85 0.42 nan nan 5.85 0.42 X:115 LEU 7.83 1.05 6.88 0.38 8.78 0.51 nan nan 8.78 0.51 X:116 HIS 3.86 0.61 4.44 0.58 3.47 0.10 3.56 0.10 3.43 0.07 X:117 SER 3.71 0.34 3.84 0.28 3.44 0.28 3.16 0.00 3.72 0.00 X:118 LYS 4.08 0.48 4.07 0.41 4.10 0.53 3.22 0.00 4.31 0.33 X:119 HIS 4.38 0.49 4.46 0.29 4.32 0.58 4.08 0.44 4.45 0.60 X:120 PRO 3.60 0.39 3.81 0.34 3.32 0.24 nan nan 3.32 0.24 X:121 GLY 3.18 0.18 3.18 0.18 nan nan nan nan nan nan X:122 ASP 3.61 0.39 3.98 0.15 3.24 0.10 3.17 0.09 3.31 0.05 X:123 PHE 5.70 1.33 4.12 0.32 6.61 0.66 nan nan 6.61 0.66 X:124 GLY 3.87 0.55 3.87 0.55 nan nan nan nan nan nan X:125 ALA 3.42 0.24 3.52 0.13 3.01 0.00 nan nan 3.01 0.00 X:126 ASP 3.56 0.38 3.82 0.33 3.29 0.21 3.25 0.20 3.34 0.21 X:127 ALA 5.66 0.67 5.87 0.58 4.79 0.00 nan nan 4.79 0.00 X:128 GLN 4.45 0.87 5.18 0.54 3.86 0.60 3.32 0.36 4.22 0.43 X:129 GLY 3.75 0.24 3.75 0.24 nan nan nan nan nan nan X:130 ALA 5.33 0.76 5.40 0.84 5.06 0.00 nan nan 5.06 0.00 X:131 MET 8.07 1.25 7.05 0.31 9.09 0.98 9.82 0.00 8.84 1.02 X:132 THR 4.50 0.84 5.21 0.27 3.57 0.16 3.56 0.00 3.57 0.19 X:133 LYS 4.10 0.70 4.79 0.25 3.55 0.40 3.20 0.00 3.64 0.40 X:134 ALA 7.25 0.65 6.97 0.36 8.38 0.00 nan nan 8.38 0.00 X:135 LEU 6.92 0.52 6.66 0.49 7.17 0.41 nan nan 7.17 0.41 X:136 GLU 3.87 0.67 4.47 0.54 3.39 0.26 3.11 0.08 3.58 0.13 X:137 LEU 4.67 0.72 5.16 0.51 4.19 0.55 nan nan 4.19 0.55 X:138 PHE 7.00 0.57 7.17 0.30 6.91 0.66 nan nan 6.91 0.66 X:139 ARG 4.50 0.96 5.52 0.53 3.92 0.59 3.59 0.66 4.16 0.39 X:140 ASN 3.99 0.74 4.69 0.22 3.30 0.27 3.04 0.02 3.55 0.14 X:141 ASP 4.52 0.78 5.18 0.27 3.87 0.53 3.46 0.24 4.28 0.41 X:142 ILE 6.87 0.42 6.56 0.34 7.18 0.22 nan nan 7.18 0.22 X:143 ALA 4.17 0.63 4.39 0.52 3.32 0.00 nan nan 3.32 0.00 X:144 ALA 3.80 0.38 3.96 0.22 3.16 0.00 nan nan 3.16 0.00 X:145 LYS 5.05 0.91 5.58 0.50 4.63 0.94 3.35 0.00 4.96 0.77 X:146 TYR 6.02 0.99 5.30 0.53 6.38 0.97 7.39 0.00 6.23 0.95 X:147 LYS 3.49 0.44 3.89 0.31 3.17 0.21 2.90 0.00 3.24 0.18 X:148 GLU 3.52 0.35 3.69 0.34 3.37 0.30 3.36 0.43 3.38 0.15 X:149 LEU 3.86 0.55 3.75 0.51 3.97 0.56 nan nan 3.97 0.56 X:150 GLY 3.54 0.27 3.54 0.27 nan nan nan nan nan nan X:151 PHE 4.36 0.63 4.15 0.24 4.48 0.75 nan nan 4.48 0.75 X:152 GLN 3.46 0.29 3.45 0.37 3.47 0.20 3.24 0.11 3.62 0.01