# chain residue all-atom MC-atom SC-atom SC-polar-atom SC-nonpolar-atom F:81 SER 3.62 0.50 3.81 0.52 3.25 0.15 3.39 0.00 3.10 0.00 F:82 CYS 3.79 0.29 3.93 0.25 3.51 0.14 3.65 0.00 3.37 0.00 F:83 ALA 3.47 0.30 3.56 0.26 3.08 0.00 nan nan 3.08 0.00 F:84 THR 3.66 0.46 3.97 0.38 3.24 0.10 3.19 0.00 3.27 0.12 F:85 GLY 4.43 0.22 4.43 0.22 nan nan nan nan nan nan F:86 PRO 5.16 0.95 5.75 0.63 4.38 0.72 nan nan 4.38 0.72 F:87 ARG 4.55 1.13 5.96 0.21 3.75 0.47 3.51 0.38 3.93 0.44 F:88 ASN 6.15 1.15 7.15 0.42 5.15 0.69 4.72 0.61 5.58 0.45 F:89 CYS 8.72 0.66 8.29 0.32 9.57 0.03 9.54 0.00 9.60 0.00 F:90 LYS 4.82 1.23 6.04 0.55 3.84 0.57 3.29 0.00 3.98 0.56 F:91 ASP 4.51 0.62 4.99 0.34 4.03 0.43 3.79 0.38 4.27 0.33 F:92 LEU 5.79 0.76 6.27 0.24 5.31 0.79 nan nan 5.31 0.79 F:93 LEU 4.76 1.01 5.36 1.00 4.16 0.57 nan nan 4.16 0.57 F:94 ASP 3.69 0.52 3.97 0.60 3.41 0.13 3.28 0.05 3.53 0.04 F:95 ARG 3.65 0.31 3.70 0.44 3.62 0.20 3.51 0.17 3.70 0.18 F:96 GLY 3.65 0.36 3.65 0.36 nan nan nan nan nan nan F:97 HIS 4.06 0.65 4.59 0.56 3.70 0.44 3.61 0.41 3.75 0.44 F:98 PHE 3.56 0.37 3.96 0.27 3.34 0.17 nan nan 3.34 0.17 F:99 LEU 3.56 0.43 3.96 0.13 3.15 0.15 nan nan 3.15 0.15 F:100 SER 3.71 0.32 3.79 0.36 3.53 0.07 3.60 0.00 3.46 0.00 F:101 GLY 4.30 0.55 4.30 0.55 nan nan nan nan nan nan F:102 TRP 4.25 0.64 3.76 0.40 4.44 0.62 3.95 0.00 4.49 0.63 F:103 HIS 4.26 0.51 4.58 0.52 4.05 0.38 4.13 0.56 4.01 0.24 F:104 THR 3.89 0.44 4.17 0.35 3.52 0.21 3.24 0.00 3.65 0.09 F:105 ILE 6.87 0.84 6.16 0.30 7.59 0.54 nan nan 7.59 0.54 F:106 TYR 5.29 1.32 6.76 0.40 4.56 0.97 3.18 0.00 4.75 0.87 F:107 LEU 6.17 0.61 6.01 0.72 6.33 0.43 nan nan 6.33 0.43 F:108 PRO 3.91 0.59 3.85 0.63 3.97 0.51 nan nan 3.97 0.51 F:109 ASP 3.51 0.38 3.54 0.30 3.48 0.45 3.58 0.58 3.37 0.23 F:110 CYS 3.86 0.50 4.13 0.39 3.33 0.12 3.20 0.00 3.45 0.00 F:111 ARG 3.89 0.74 4.62 0.78 3.47 0.17 3.46 0.05 3.48 0.22 F:112 PRO 3.70 0.52 4.00 0.50 3.31 0.20 nan nan 3.31 0.20 F:113 LEU 4.60 0.64 4.49 0.49 4.71 0.74 nan nan 4.71 0.74 F:114 THR 4.00 0.49 4.28 0.41 3.62 0.29 3.20 0.00 3.82 0.01 F:115 VAL 7.06 0.70 6.60 0.43 7.67 0.51 nan nan 7.67 0.51 F:116 LEU 6.08 1.25 7.20 0.37 4.96 0.69 nan nan 4.96 0.69 F:117 CYS 6.90 0.89 6.43 0.69 7.84 0.31 8.15 0.00 7.53 0.00 F:118 ASP 5.41 0.88 6.16 0.52 4.66 0.37 4.38 0.01 4.94 0.35 F:119 MET 5.61 1.10 4.83 0.72 6.38 0.83 7.05 0.00 6.16 0.85 F:120 ASP 3.65 0.55 4.08 0.44 3.23 0.25 2.99 0.01 3.47 0.10 F:121 THR 4.16 0.53 4.43 0.52 3.80 0.27 3.44 0.00 3.98 0.10 F:122 ASP 3.87 0.41 3.84 0.33 3.89 0.48 3.82 0.66 3.97 0.05 F:123 GLY 3.52 0.20 3.52 0.20 nan nan nan nan nan nan F:124 GLY 5.08 0.31 5.08 0.31 nan nan nan nan nan nan F:125 GLY 6.94 0.46 6.94 0.46 nan nan nan nan nan nan F:126 TRP 7.87 0.84 8.76 0.43 7.51 0.69 6.90 0.00 7.58 0.69 F:127 THR 10.16 0.36 10.33 0.22 9.94 0.39 9.42 0.00 10.20 0.15 F:128 VAL 8.11 0.90 8.81 0.38 7.17 0.42 nan nan 7.17 0.42 F:129 PHE 11.06 1.65 9.19 0.33 12.12 1.04 nan nan 12.12 1.04 F:130 GLN 10.76 0.99 9.72 0.40 11.59 0.30 11.61 0.21 11.58 0.34 F:131 ARG 6.35 2.30 8.97 0.36 4.85 1.44 3.72 0.51 5.70 1.33 F:132 ARG 7.57 1.21 7.41 0.92 7.66 1.35 6.65 0.97 8.42 1.06 F:133 MET 4.41 0.81 4.77 0.95 4.06 0.40 3.97 0.29 4.09 0.43 F:134 ASP 3.80 0.58 4.00 0.57 3.61 0.52 3.72 0.69 3.50 0.20 F:135 GLY 3.95 0.61 3.95 0.61 nan nan nan nan nan nan F:136 SER 3.57 0.32 3.57 0.37 3.57 0.21 3.78 0.00 3.37 0.00 F:137 VAL 4.24 0.31 4.14 0.13 4.36 0.42 nan nan 4.36 0.42 F:138 ASP 3.81 0.69 4.29 0.65 3.33 0.28 3.28 0.38 3.37 0.06 F:139 PHE 7.13 1.19 6.10 0.79 7.71 0.96 nan nan 7.71 0.96 F:140 TYR 4.40 0.78 4.89 0.58 4.15 0.76 3.37 0.00 4.26 0.74 F:141 ARG 4.29 0.86 5.24 0.58 3.75 0.40 3.46 0.32 3.97 0.31 F:142 ASP 4.36 0.93 5.16 0.58 3.56 0.32 3.33 0.27 3.80 0.16 F:143 TRP 5.01 0.98 4.86 0.22 5.07 1.15 4.08 0.00 5.18 1.16 F:144 ALA 3.82 0.48 4.03 0.28 3.00 0.00 nan nan 3.00 0.00 F:145 ALA 4.80 0.73 5.04 0.62 3.83 0.00 nan nan 3.83 0.00 F:146 TYR 8.59 1.08 7.35 0.50 9.22 0.69 9.22 0.00 9.22 0.73 F:147 LYS 4.53 1.06 5.53 0.53 3.73 0.60 3.32 0.00 3.83 0.63 F:148 GLN 3.67 0.55 4.03 0.57 3.38 0.33 3.04 0.13 3.60 0.20 F:149 GLY 4.02 0.52 4.02 0.52 nan nan nan nan nan nan F:150 PHE 5.18 1.33 3.90 0.28 5.91 1.13 nan nan 5.91 1.13 F:151 GLY 3.58 0.34 3.58 0.34 nan nan nan nan nan nan F:152 SER 4.03 0.62 4.36 0.49 3.37 0.08 3.29 0.00 3.44 0.00 F:153 GLN 3.73 0.43 4.12 0.24 3.42 0.25 3.13 0.10 3.61 0.09 F:154 LEU 3.66 0.44 3.93 0.40 3.39 0.29 nan nan 3.39 0.29 F:155 GLY 4.99 0.71 4.99 0.71 nan nan nan nan nan nan F:156 GLU 6.25 0.48 5.92 0.52 6.51 0.21 6.45 0.30 6.55 0.12 F:157 PHE 6.17 0.75 6.83 0.59 5.79 0.54 nan nan 5.79 0.54 F:158 TRP 8.65 2.27 5.75 0.78 9.82 1.50 9.36 0.00 9.87 1.58 F:159 LEU 5.31 0.88 5.06 0.73 5.56 0.95 nan nan 5.56 0.95 F:160 GLY 6.46 0.49 6.46 0.49 nan nan nan nan nan nan F:161 ASN 8.13 1.36 6.93 0.56 9.33 0.73 9.89 0.28 8.76 0.61 F:162 ASP 4.07 0.60 4.57 0.44 3.57 0.17 3.55 0.23 3.58 0.03 F:163 ASN 5.28 1.10 6.08 0.84 4.49 0.66 4.00 0.28 4.97 0.56 F:164 ILE 8.99 1.15 7.94 0.57 10.03 0.36 nan nan 10.03 0.36 F:165 HIS 4.75 1.12 5.85 0.58 4.03 0.74 3.44 0.10 4.32 0.75 F:166 ALA 4.83 0.40 4.98 0.31 4.26 0.00 nan nan 4.26 0.00 F:167 LEU 7.48 0.98 6.55 0.31 8.41 0.33 nan nan 8.41 0.33 F:168 THR 6.65 0.93 6.05 0.68 7.44 0.54 7.06 0.00 7.63 0.56 F:169 ALA 3.99 0.65 4.13 0.66 3.45 0.00 nan nan 3.45 0.00 F:170 GLN 3.61 0.39 3.98 0.25 3.33 0.19 3.20 0.23 3.41 0.07 F:171 GLY 3.42 0.21 3.42 0.21 nan nan nan nan nan nan F:172 SER 3.84 0.47 4.10 0.36 3.31 0.03 3.35 0.00 3.28 0.00 F:173 SER 6.09 0.43 6.00 0.47 6.26 0.30 5.96 0.00 6.55 0.00 F:174 GLU 6.17 1.60 7.69 0.78 4.94 0.88 4.10 0.30 5.50 0.66 F:175 LEU 10.47 1.47 9.19 0.46 11.76 0.89 nan nan 11.76 0.89 F:176 ARG 7.48 2.43 10.13 0.37 5.97 1.71 4.64 0.74 6.96 1.55 F:177 THR 10.27 1.24 9.37 0.76 11.46 0.58 12.28 0.00 11.06 0.03 F:178 ASP 6.03 0.92 6.88 0.44 5.17 0.23 5.15 0.32 5.20 0.06 F:179 LEU 7.93 1.35 6.69 0.33 9.17 0.67 nan nan 9.17 0.67 F:180 VAL 5.27 1.10 6.19 0.27 4.04 0.25 nan nan 4.04 0.25 F:181 ASP 5.48 0.85 5.93 0.75 5.03 0.70 4.67 0.73 5.40 0.41 F:182 PHE 4.17 0.78 4.13 0.94 4.20 0.67 nan nan 4.20 0.67 F:183 GLU 3.46 0.35 3.64 0.42 3.32 0.19 3.38 0.17 3.27 0.18 F:184 GLY 3.49 0.29 3.49 0.29 nan nan nan nan nan nan F:185 ASN 4.02 0.70 4.61 0.47 3.43 0.25 3.20 0.12 3.67 0.06 F:186 HIS 3.74 0.42 3.94 0.41 3.61 0.36 3.47 0.34 3.69 0.35 F:187 GLN 4.79 0.95 5.61 0.56 4.13 0.64 3.89 0.64 4.28 0.58 F:188 PHE 4.98 1.30 6.40 0.40 4.17 0.86 nan nan 4.17 0.86 F:189 ALA 7.71 0.34 7.67 0.38 7.84 0.00 nan nan 7.84 0.00 F:190 LYS 5.59 1.29 6.86 0.21 4.57 0.78 3.41 0.09 4.86 0.59 F:191 TYR 7.44 0.80 7.28 0.34 7.53 0.94 6.66 0.00 7.65 0.94 F:192 LYS 4.23 0.89 5.05 0.53 3.57 0.46 2.99 0.03 3.71 0.39 F:193 SER 4.64 0.94 5.25 0.45 3.42 0.10 3.32 0.00 3.52 0.00 F:194 PHE 8.15 1.82 5.95 0.29 9.41 0.91 nan nan 9.41 0.91 F:195 LYS 4.88 1.30 6.20 0.25 3.82 0.69 2.92 0.00 4.05 0.58 F:196 VAL 6.91 1.31 5.90 0.68 8.25 0.46 nan nan 8.25 0.46 F:197 ALA 4.69 0.68 4.90 0.59 3.84 0.00 nan nan 3.84 0.00 F:198 ASP 4.13 0.74 4.77 0.47 3.49 0.26 3.33 0.28 3.65 0.07 F:199 GLU 3.85 0.39 4.18 0.14 3.59 0.32 3.24 0.02 3.82 0.18 F:200 ALA 3.42 0.30 3.51 0.28 3.07 0.00 nan nan 3.07 0.00 F:201 GLU 3.93 0.70 4.60 0.45 3.40 0.26 3.14 0.03 3.57 0.20 F:202 LYS 5.00 1.40 6.28 0.97 3.98 0.64 3.25 0.00 4.16 0.60 F:203 TYR 7.21 1.11 8.01 0.54 6.81 1.11 5.25 0.00 7.04 1.00 F:204 LYS 5.61 1.33 6.80 0.32 4.67 1.04 3.13 0.00 5.05 0.78 F:205 LEU 7.54 1.12 6.61 0.87 8.46 0.22 nan nan 8.46 0.22 F:206 VAL 4.46 0.78 5.03 0.44 3.70 0.40 nan nan 3.70 0.40 F:207 LEU 5.43 1.25 4.37 0.64 6.49 0.68 nan nan 6.49 0.68 F:208 GLY 4.00 0.31 4.00 0.31 nan nan nan nan nan nan F:209 ALA 3.80 0.70 3.99 0.66 3.04 0.00 nan nan 3.04 0.00 F:210 PHE 4.04 0.66 3.82 0.42 4.17 0.74 nan nan 4.17 0.74 F:211 VAL 4.03 0.54 3.97 0.58 4.11 0.47 nan nan 4.11 0.47 F:212 GLY 4.11 0.44 4.11 0.44 nan nan nan nan nan nan F:213 GLY 3.58 0.21 3.58 0.21 nan nan nan nan nan nan F:214 SER 3.61 0.27 3.67 0.30 3.48 0.14 3.62 0.00 3.34 0.00 F:215 ALA 5.14 0.73 4.79 0.25 6.54 0.00 nan nan 6.54 0.00 F:216 GLY 4.12 0.66 4.12 0.66 nan nan nan nan nan nan F:217 ASN 3.77 0.40 3.75 0.39 3.79 0.41 3.87 0.55 3.71 0.15 F:218 SER 4.84 0.26 4.82 0.25 4.86 0.27 4.59 0.00 5.13 0.00 F:219 LEU 6.94 1.52 5.55 0.28 8.33 0.84 nan nan 8.33 0.84 F:220 THR 3.87 0.47 4.14 0.38 3.50 0.30 3.81 0.00 3.35 0.26 F:221 GLY 3.37 0.20 3.37 0.20 nan nan nan nan nan nan F:222 HIS 5.42 0.44 5.30 0.50 5.50 0.38 5.35 0.31 5.58 0.39 F:223 ASN 4.10 0.60 4.45 0.56 3.76 0.41 3.60 0.52 3.93 0.11 F:224 ASN 3.84 0.60 4.32 0.48 3.36 0.17 3.23 0.13 3.50 0.07 F:225 ASN 5.05 0.90 5.64 0.78 4.45 0.53 4.04 0.08 4.87 0.46 F:226 PHE 5.08 1.55 6.82 0.85 4.09 0.81 nan nan 4.09 0.81 F:227 PHE 10.55 1.77 8.46 0.60 11.75 0.89 nan nan 11.75 0.89 F:228 SER 8.83 1.01 9.40 0.60 7.68 0.61 7.08 0.00 8.29 0.00 F:229 THR 7.42 0.78 7.43 0.83 7.41 0.70 6.49 0.00 7.87 0.32 F:230 LYS 4.27 0.97 4.98 0.94 3.70 0.53 3.05 0.00 3.87 0.46 F:231 ASP 3.73 0.54 3.72 0.45 3.75 0.62 3.97 0.75 3.54 0.32 F:232 GLN 4.15 0.60 4.60 0.54 3.78 0.35 3.70 0.49 3.83 0.18 F:233 ASP 3.68 0.35 3.74 0.41 3.63 0.27 3.68 0.35 3.57 0.12 F:234 ASN 4.42 0.47 4.31 0.27 4.53 0.59 4.47 0.82 4.59 0.07 F:235 ASP 5.19 0.93 4.51 0.70 5.87 0.56 5.62 0.66 6.11 0.25 F:236 VAL 3.49 0.51 3.69 0.59 3.22 0.06 nan nan 3.22 0.06 F:237 SER 3.98 0.44 3.72 0.19 4.50 0.35 4.15 0.00 4.84 0.00 F:238 SER 3.30 0.30 3.45 0.27 3.01 0.08 2.93 0.00 3.09 0.00 F:239 SER 3.80 0.32 3.91 0.29 3.58 0.28 3.86 0.00 3.30 0.00 F:240 ASN 4.30 0.61 4.34 0.49 4.26 0.71 4.54 0.86 3.99 0.34 F:241 CYS 6.59 0.40 6.53 0.36 6.72 0.43 6.29 0.00 7.16 0.00 F:242 ALA 7.65 0.65 7.42 0.52 8.55 0.00 nan nan 8.55 0.00 F:243 GLU 4.19 0.85 4.72 0.83 3.76 0.57 3.20 0.13 4.14 0.42 F:244 LYS 3.56 0.40 3.77 0.29 3.40 0.40 2.87 0.00 3.53 0.34 F:245 PHE 5.14 1.13 6.07 0.81 4.61 0.93 nan nan 4.61 0.93 F:246 GLN 5.27 1.46 6.70 0.38 4.12 0.86 3.36 0.11 4.63 0.76 F:247 GLY 9.06 0.60 9.06 0.60 nan nan nan nan nan nan F:248 ALA 11.73 0.85 11.91 0.86 11.02 0.00 nan nan 11.02 0.00 F:249 TRP 11.11 1.28 11.61 0.59 10.90 1.42 8.82 0.00 11.14 1.31 F:250 TRP 10.65 1.60 8.78 1.18 11.40 1.05 11.50 0.00 11.39 1.10 F:251 TYR 8.55 1.20 7.32 0.76 9.17 0.87 10.02 0.00 9.05 0.86 F:252 ALA 4.76 0.68 5.06 0.37 3.57 0.00 nan nan 3.57 0.00 F:253 ASP 3.63 0.41 3.73 0.46 3.52 0.32 3.34 0.37 3.70 0.00 F:254 CYS 4.40 0.39 4.35 0.48 4.49 0.01 4.48 0.00 4.50 0.00 F:255 HIS 4.97 0.89 3.91 0.27 5.67 0.15 5.74 0.03 5.64 0.17 F:256 ALA 4.67 0.84 4.96 0.68 3.51 0.00 nan nan 3.51 0.00 F:257 SER 7.49 0.64 7.42 0.76 7.62 0.18 7.45 0.00 7.80 0.00 F:258 ASN 9.94 0.89 10.56 0.86 9.33 0.25 9.33 0.34 9.32 0.11 F:259 LEU 12.17 0.64 11.85 0.73 12.50 0.28 nan nan 12.50 0.28 F:260 ASN 10.89 1.42 9.99 1.41 11.80 0.61 12.05 0.45 11.55 0.66 F:261 GLY 7.47 1.26 7.47 1.26 nan nan nan nan nan nan F:262 LEU 4.51 0.89 5.28 0.56 3.73 0.28 nan nan 3.73 0.28 F:263 TYR 4.66 0.74 4.00 0.45 4.99 0.62 4.47 0.00 5.07 0.63 F:264 LEU 4.03 0.50 4.05 0.46 4.02 0.54 nan nan 4.02 0.54 F:265 MET 3.90 0.59 4.30 0.51 3.50 0.35 3.18 0.09 3.60 0.35 F:266 GLY 5.23 0.34 5.23 0.34 nan nan nan nan nan nan F:267 PRO 3.65 0.41 3.92 0.35 3.29 0.08 nan nan 3.29 0.08 F:268 HIS 4.90 1.17 3.86 0.21 5.59 1.03 6.18 0.63 5.30 1.06 F:269 GLU 3.31 0.29 3.54 0.22 3.13 0.19 2.91 0.00 3.28 0.06 F:270 SER 3.89 0.61 4.14 0.60 3.40 0.17 3.58 0.00 3.23 0.00 F:271 TYR 3.64 0.37 4.05 0.33 3.43 0.15 3.16 0.00 3.47 0.11 F:272 ALA 5.76 0.52 5.98 0.30 4.87 0.00 nan nan 4.87 0.00 F:273 ASN 5.31 1.03 6.26 0.27 4.36 0.50 4.18 0.62 4.54 0.22 F:274 GLY 8.45 0.93 8.45 0.93 nan nan nan nan nan nan F:275 ILE 9.87 1.18 10.35 0.83 9.39 1.28 nan nan 9.39 1.28 F:276 ASN 9.31 0.93 10.14 0.52 8.49 0.34 8.15 0.11 8.82 0.02 F:277 TRP 8.01 0.89 7.57 0.95 8.19 0.80 6.86 0.00 8.33 0.70 F:278 SER 4.30 0.80 4.49 0.91 3.93 0.18 3.75 0.00 4.11 0.00 F:279 ALA 3.69 0.34 3.72 0.37 3.54 0.00 nan nan 3.54 0.00 F:280 ALA 4.17 0.51 4.03 0.48 4.73 0.00 nan nan 4.73 0.00 F:281 LYS 4.02 0.59 4.06 0.49 3.99 0.66 3.03 0.00 4.24 0.51 F:282 GLY 4.28 0.68 4.28 0.68 nan nan nan nan nan nan F:283 TYR 4.26 0.66 4.71 0.61 4.04 0.56 3.27 0.00 4.15 0.51 F:284 LYS 3.67 0.39 4.06 0.14 3.36 0.21 3.06 0.00 3.43 0.16 F:285 TYR 5.23 0.91 5.87 0.91 4.91 0.72 5.09 0.00 4.88 0.77 F:286 SER 7.78 0.48 7.92 0.53 7.50 0.06 7.56 0.00 7.44 0.00 F:287 TYR 8.36 1.07 8.82 0.61 8.13 1.17 6.17 0.00 8.41 0.97 F:288 LYS 4.99 1.42 6.32 0.64 3.93 0.86 2.99 0.00 4.16 0.80 F:289 VAL 5.40 1.24 6.39 0.53 4.08 0.41 nan nan 4.08 0.41 F:290 SER 8.57 1.30 7.71 0.28 10.29 0.67 10.96 0.05 9.62 0.06 F:291 GLU 6.21 1.88 8.12 0.47 4.68 0.98 3.79 0.18 5.27 0.84 F:292 MET 11.44 1.36 10.20 0.45 12.67 0.66 13.42 0.00 12.42 0.58 F:293 LYS 9.06 2.22 11.10 0.33 7.44 1.69 5.01 0.00 8.04 1.31 F:294 VAL 9.92 0.65 9.73 0.79 10.17 0.23 nan nan 10.17 0.23 F:295 ARG 5.12 1.35 6.55 0.84 4.29 0.78 3.73 0.15 4.72 0.79 F:296 PRO 4.16 0.56 4.31 0.49 3.95 0.59 nan nan 3.95 0.59 F:297 ALA 3.69 0.51 3.78 0.52 3.50 0.45 3.05 0.00 3.95 0.00