# chain residue all-atom MC-atom SC-atom SC-polar-atom SC-nonpolar-atom X:40 ASP 3.54 0.41 3.74 0.37 3.34 0.34 3.02 0.04 3.66 0.15 X:41 THR 3.76 0.36 3.87 0.28 3.60 0.40 3.96 0.00 3.42 0.38 X:42 LEU 4.00 0.83 4.63 0.63 3.37 0.43 nan nan 3.37 0.43 X:43 GLN 3.79 0.42 3.76 0.17 3.82 0.54 4.18 0.54 3.57 0.38 X:44 LEU 3.40 0.30 3.53 0.29 3.27 0.25 nan nan 3.27 0.25 X:45 ASP 3.89 0.43 4.14 0.38 3.64 0.34 3.52 0.44 3.75 0.07 X:46 ASN 4.99 0.88 4.31 0.63 5.68 0.44 6.00 0.12 5.37 0.42 X:47 PHE 3.73 0.34 3.78 0.26 3.71 0.38 nan nan 3.71 0.38 X:48 LEU 5.98 1.54 4.60 0.64 7.35 0.77 nan nan 7.35 0.77 X:49 THR 4.06 0.77 4.62 0.51 3.32 0.20 3.44 0.00 3.25 0.23 X:50 THR 3.68 0.42 3.84 0.42 3.47 0.32 3.02 0.00 3.70 0.03 X:51 GLY 3.71 0.27 3.71 0.27 nan nan nan nan nan nan X:52 PHE 3.35 0.25 3.60 0.19 3.21 0.16 nan nan 3.21 0.16 X:53 LEU 4.09 0.69 3.80 0.40 4.38 0.80 nan nan 4.38 0.80 X:54 ASP 3.92 0.45 4.28 0.25 3.56 0.31 3.51 0.43 3.62 0.06 X:55 ILE 3.93 0.37 4.05 0.40 3.82 0.30 nan nan 3.82 0.30 X:56 ILE 4.87 0.69 5.38 0.53 4.37 0.40 nan nan 4.37 0.40 X:57 PRO 4.48 0.82 5.13 0.40 3.61 0.22 nan nan 3.61 0.22 X:58 LEU 3.95 0.51 3.90 0.48 4.00 0.54 nan nan 4.00 0.54 X:59 SER 3.42 0.27 3.53 0.27 3.22 0.03 3.25 0.00 3.18 0.00 X:60 GLN 3.94 0.62 4.51 0.18 3.49 0.45 3.10 0.20 3.75 0.36 X:61 PRO 3.67 0.43 3.98 0.32 3.25 0.04 nan nan 3.25 0.04 X:62 LEU 5.60 0.78 5.03 0.10 6.18 0.75 nan nan 6.18 0.75 X:63 GLU 3.57 0.40 3.72 0.45 3.45 0.31 3.10 0.04 3.69 0.15 X:64 PHE 4.11 0.62 3.91 0.37 4.22 0.70 nan nan 4.22 0.70 X:65 ARG 3.72 0.49 3.96 0.39 3.58 0.48 3.18 0.25 3.87 0.39 X:66 ARG 4.14 0.59 4.70 0.37 3.82 0.44 3.80 0.52 3.83 0.37 X:67 GLU 3.38 0.37 3.67 0.35 3.15 0.16 3.04 0.02 3.23 0.17 X:68 GLY 3.25 0.23 3.25 0.23 nan nan nan nan nan nan X:69 LEU 4.09 0.58 3.68 0.29 4.50 0.51 nan nan 4.50 0.51 X:70 GLN 3.52 0.42 3.89 0.30 3.23 0.22 2.97 0.04 3.40 0.09 X:71 HIS 3.31 0.28 3.60 0.19 3.11 0.10 3.08 0.02 3.13 0.12 X:72 GLY 3.53 0.21 3.53 0.21 nan nan nan nan nan nan X:73 VAL 5.06 0.55 5.14 0.49 4.96 0.61 nan nan 4.96 0.61 X:74 LEU 3.99 0.45 4.23 0.47 3.74 0.26 nan nan 3.74 0.26 X:75 ASP 3.72 0.56 4.26 0.06 3.18 0.20 2.98 0.04 3.38 0.01 X:76 LYS 4.55 0.42 4.54 0.45 4.55 0.39 4.76 0.00 4.50 0.42 X:77 LEU 5.26 0.67 5.57 0.16 4.94 0.82 nan nan 4.94 0.82 X:78 ARG 3.85 0.63 4.53 0.36 3.45 0.36 3.13 0.17 3.69 0.26 X:79 SER 3.58 0.50 3.75 0.51 3.23 0.25 2.98 0.00 3.48 0.00 X:80 GLY 3.95 0.16 3.95 0.16 nan nan nan nan nan nan X:81 LYS 3.47 0.42 3.87 0.29 3.14 0.13 2.98 0.00 3.18 0.11 X:82 TYR 5.71 1.36 4.06 0.50 6.54 0.77 7.29 0.00 6.43 0.77 X:83 PRO 3.87 0.31 3.92 0.33 3.80 0.27 nan nan 3.80 0.27 X:84 GLN 3.48 0.34 3.76 0.23 3.26 0.23 2.99 0.01 3.44 0.03 X:85 GLN 3.62 0.39 3.98 0.25 3.33 0.18 3.24 0.05 3.38 0.22 X:86 ALA 5.76 0.58 5.90 0.57 5.20 0.00 nan nan 5.20 0.00 X:87 SER 4.32 0.69 4.60 0.63 3.76 0.40 3.36 0.00 4.16 0.00 X:88 LEU 5.03 0.64 5.07 0.44 4.98 0.79 nan nan 4.98 0.79 X:89 ASN 3.92 0.48 4.18 0.30 3.65 0.47 3.66 0.66 3.64 0.09 X:90 LEU 6.67 1.01 5.86 0.15 7.48 0.84 nan nan 7.48 0.84 X:91 LEU 4.20 0.62 4.62 0.47 3.77 0.44 nan nan 3.77 0.44 X:92 ARG 3.46 0.33 3.74 0.33 3.29 0.19 3.15 0.11 3.40 0.18 X:93 GLN 4.29 0.68 4.52 0.09 4.11 0.87 3.27 0.13 4.66 0.69 X:94 PRO 3.88 0.68 4.32 0.58 3.30 0.17 nan nan 3.30 0.17 X:95 VAL 4.21 0.66 4.62 0.60 3.65 0.04 nan nan 3.65 0.04 X:96 GLU 3.94 0.67 4.55 0.55 3.44 0.15 3.49 0.02 3.41 0.19 X:97 GLU 4.26 0.91 5.11 0.57 3.59 0.45 3.11 0.06 3.90 0.30 X:98 CYS 7.51 0.45 7.33 0.41 7.87 0.27 7.60 0.00 8.14 0.00 X:99 ARG 5.63 1.62 7.36 0.32 4.64 1.18 3.73 0.38 5.33 1.11 X:100 LYS 4.21 0.76 4.84 0.65 3.71 0.39 3.08 0.00 3.87 0.25 X:101 MET 4.13 0.50 4.52 0.30 3.74 0.32 3.98 0.00 3.65 0.33 X:102 VAL 7.96 1.24 7.02 0.58 9.21 0.67 nan nan 9.21 0.67 X:103 PHE 6.68 0.83 7.15 0.41 6.42 0.89 nan nan 6.42 0.89 X:104 SER 4.35 0.80 4.82 0.50 3.41 0.27 3.13 0.00 3.68 0.00 X:105 PHE 5.18 0.78 5.22 0.63 5.16 0.85 nan nan 5.16 0.85 X:106 ILE 7.31 1.14 6.57 0.54 8.06 1.10 nan nan 8.06 1.10 X:107 GLN 4.15 0.67 4.48 0.70 3.89 0.51 3.40 0.25 4.21 0.37 X:108 GLN 3.88 0.44 4.24 0.35 3.60 0.27 3.50 0.40 3.67 0.04 X:109 ALA 6.36 0.57 6.11 0.30 7.37 0.00 nan nan 7.37 0.00 X:110 LEU 4.27 0.64 4.25 0.82 4.28 0.37 nan nan 4.28 0.37 X:111 ALA 3.42 0.33 3.52 0.29 3.03 0.00 nan nan 3.03 0.00 X:112 ASP 3.57 0.38 3.78 0.41 3.36 0.20 3.19 0.10 3.53 0.11 X:113 GLY 3.77 0.19 3.77 0.19 nan nan nan nan nan nan X:114 LEU 4.69 0.61 5.01 0.55 4.36 0.48 nan nan 4.36 0.48 X:115 ARG 4.15 0.95 5.19 0.58 3.56 0.50 3.17 0.27 3.86 0.42 X:116 ASN 5.19 0.89 5.83 0.51 4.56 0.72 4.03 0.28 5.09 0.64 X:117 VAL 8.74 0.91 8.89 0.86 8.55 0.93 nan nan 8.55 0.93 X:118 LEU 6.27 1.31 7.43 0.38 5.12 0.79 nan nan 5.12 0.79 X:119 ILE 8.69 1.16 7.59 0.31 9.80 0.37 nan nan 9.80 0.37 X:120 ILE 5.04 1.30 6.26 0.39 3.82 0.49 nan nan 3.82 0.49 X:121 HIS 6.93 1.31 5.57 0.79 7.83 0.64 8.22 0.60 7.64 0.56 X:122 GLY 4.61 0.51 4.61 0.51 nan nan nan nan nan nan X:123 LYS 3.74 0.42 3.99 0.38 3.54 0.34 3.06 0.00 3.66 0.27 X:124 GLY 4.22 0.36 4.22 0.36 nan nan nan nan nan nan X:125 ARG 3.39 0.36 3.72 0.36 3.20 0.19 3.16 0.14 3.24 0.22 X:126 ASP 3.92 0.78 4.58 0.57 3.26 0.18 3.18 0.18 3.35 0.14 X:127 ASP 4.05 0.80 4.72 0.58 3.38 0.19 3.24 0.18 3.52 0.01 X:128 LYS 3.65 0.53 4.06 0.55 3.33 0.19 2.96 0.00 3.42 0.06 X:129 SER 4.12 0.40 4.24 0.36 3.89 0.36 4.25 0.00 3.53 0.00 X:130 HIS 3.76 0.58 4.20 0.67 3.46 0.20 3.47 0.28 3.46 0.15 X:131 ALA 4.83 1.09 5.13 1.02 3.65 0.00 nan nan 3.65 0.00 X:132 ASN 7.07 0.49 6.97 0.64 7.17 0.22 6.99 0.16 7.36 0.05 X:133 ILE 4.73 1.16 5.86 0.36 3.61 0.21 nan nan 3.61 0.21 X:134 VAL 7.56 1.04 7.89 1.17 7.13 0.62 nan nan 7.13 0.62 X:135 ARG 7.48 1.16 8.44 0.53 6.93 1.06 6.16 0.48 7.51 1.00 X:136 SER 7.00 0.51 7.10 0.60 6.80 0.03 6.77 0.00 6.83 0.00 X:137 TYR 6.04 1.67 7.89 0.23 5.12 1.27 3.35 0.00 5.37 1.15 X:138 VAL 9.21 1.27 8.32 0.93 10.39 0.38 nan nan 10.39 0.38 X:139 ALA 4.97 0.91 5.12 0.95 4.35 0.00 nan nan 4.35 0.00 X:140 ARG 4.36 0.49 4.83 0.28 4.09 0.36 3.85 0.29 4.27 0.30 X:141 TRP 7.99 1.07 7.05 0.37 8.36 1.03 7.37 0.00 8.48 1.03 X:142 LEU 8.22 1.12 7.28 0.36 9.16 0.80 nan nan 9.16 0.80 X:143 THR 4.12 0.85 4.54 0.92 3.57 0.16 3.35 0.00 3.67 0.07 X:144 GLU 3.93 0.46 3.86 0.37 3.99 0.51 4.19 0.72 3.86 0.23 X:145 PHE 5.64 1.00 4.69 0.19 6.18 0.87 nan nan 6.18 0.87 X:146 ASP 3.73 0.57 4.21 0.41 3.24 0.14 3.10 0.00 3.38 0.04 X:147 ASP 4.85 1.20 5.86 0.66 3.84 0.63 3.34 0.16 4.35 0.50 X:148 VAL 7.31 0.93 6.62 0.61 8.22 0.24 nan nan 8.22 0.24 X:149 GLN 5.46 1.10 6.51 0.37 4.62 0.68 4.33 0.87 4.81 0.43 X:150 ALA 7.22 0.82 7.53 0.59 5.97 0.00 nan nan 5.97 0.00 X:151 TYR 5.81 1.17 5.94 0.71 5.75 1.34 3.44 0.00 6.08 1.08 X:152 CYS 4.92 0.89 5.50 0.38 3.76 0.17 3.59 0.00 3.93 0.00 X:153 THR 4.07 0.36 4.26 0.32 3.81 0.24 4.15 0.00 3.64 0.04 X:154 ALA 5.07 0.93 4.70 0.64 6.53 0.00 nan nan 6.53 0.00 X:155 LEU 4.30 0.67 4.83 0.46 3.76 0.33 nan nan 3.76 0.33 X:156 PRO 3.58 0.37 3.84 0.27 3.22 0.05 nan nan 3.22 0.05 X:157 HIS 3.47 0.28 3.71 0.27 3.30 0.10 3.37 0.08 3.27 0.08 X:158 HIS 4.12 0.47 4.03 0.30 4.18 0.55 4.13 0.65 4.21 0.49 X:159 GLY 3.72 0.21 3.72 0.21 nan nan nan nan nan nan X:160 GLY 4.57 0.46 4.57 0.46 nan nan nan nan nan nan X:161 SER 4.14 0.85 4.58 0.71 3.27 0.05 3.32 0.00 3.22 0.00 X:162 GLY 5.03 0.12 5.03 0.12 nan nan nan nan nan nan X:163 ALA 6.26 0.82 6.54 0.66 5.12 0.00 nan nan 5.12 0.00 X:164 CYS 8.81 0.56 8.62 0.44 9.18 0.60 9.78 0.00 8.58 0.00 X:165 TYR 7.12 1.00 8.30 0.26 6.53 0.66 5.85 0.00 6.63 0.65 X:166 VAL 10.48 0.97 9.73 0.55 11.49 0.10 nan nan 11.49 0.10 X:167 ALA 8.27 0.51 8.41 0.48 7.73 0.00 nan nan 7.73 0.00 X:168 LEU 7.39 1.08 6.57 0.84 8.21 0.52 nan nan 8.21 0.52 X:169 ARG 3.93 0.76 4.74 0.51 3.47 0.42 3.26 0.16 3.62 0.48 X:170 LYS 3.41 0.33 3.54 0.37 3.30 0.25 3.04 0.00 3.36 0.25