# chain residue all-atom MC-atom SC-atom SC-polar-atom SC-nonpolar-atom F:81 SER 3.74 0.59 3.97 0.59 3.27 0.08 3.35 0.00 3.19 0.00 F:82 CYS 3.91 0.25 4.05 0.20 3.63 0.03 3.61 0.00 3.66 0.00 F:83 ALA 3.45 0.30 3.54 0.26 3.08 0.00 nan nan 3.08 0.00 F:84 THR 3.62 0.41 3.88 0.33 3.27 0.17 3.26 0.00 3.27 0.21 F:85 GLY 4.38 0.26 4.38 0.26 nan nan nan nan nan nan F:86 PRO 5.01 0.85 5.50 0.61 4.35 0.66 nan nan 4.35 0.66 F:87 ARG 4.63 1.19 6.08 0.44 3.80 0.48 3.56 0.40 3.99 0.46 F:88 ASN 6.38 1.12 7.34 0.35 5.41 0.73 4.96 0.65 5.86 0.50 F:89 CYS 8.80 0.73 8.34 0.39 9.72 0.13 9.59 0.00 9.85 0.00 F:90 LYS 4.83 1.27 6.04 0.60 3.85 0.70 3.00 0.00 4.07 0.62 F:91 ASP 4.40 0.59 4.88 0.36 3.93 0.34 3.70 0.23 4.16 0.27 F:92 LEU 6.02 0.71 6.44 0.22 5.60 0.78 nan nan 5.60 0.78 F:93 LEU 4.71 0.99 5.20 1.06 4.21 0.59 nan nan 4.21 0.59 F:94 ASP 3.57 0.48 3.82 0.58 3.33 0.10 3.23 0.01 3.43 0.04 F:95 ARG 3.56 0.28 3.70 0.35 3.48 0.18 3.34 0.13 3.59 0.13 F:96 GLY 3.77 0.37 3.77 0.37 nan nan nan nan nan nan F:97 TYR 4.20 0.71 4.84 0.49 3.88 0.57 2.99 0.00 4.00 0.50 F:98 PHE 3.60 0.38 4.03 0.28 3.36 0.15 nan nan 3.36 0.15 F:99 LEU 3.54 0.45 3.98 0.08 3.10 0.14 nan nan 3.10 0.14 F:100 SER 3.65 0.31 3.69 0.35 3.57 0.19 3.76 0.00 3.38 0.00 F:101 GLY 4.30 0.57 4.30 0.57 nan nan nan nan nan nan F:102 TRP 4.40 0.72 3.82 0.40 4.63 0.69 4.02 0.00 4.70 0.69 F:103 HIS 4.31 0.50 4.58 0.51 4.13 0.40 4.23 0.59 4.08 0.23 F:104 THR 3.87 0.43 4.14 0.34 3.51 0.21 3.23 0.00 3.65 0.07 F:105 ILE 7.04 0.99 6.17 0.35 7.91 0.59 nan nan 7.91 0.59 F:106 TYR 5.38 1.34 6.81 0.51 4.67 1.02 3.10 0.00 4.89 0.89 F:107 LEU 5.85 0.61 5.86 0.69 5.85 0.51 nan nan 5.85 0.51 F:108 PRO 3.81 0.53 3.80 0.55 3.81 0.50 nan nan 3.81 0.50 F:109 ASP 3.43 0.32 3.51 0.29 3.36 0.34 3.42 0.45 3.30 0.13 F:110 CYS 3.82 0.48 4.10 0.31 3.27 0.20 3.07 0.00 3.47 0.00 F:111 ARG 3.87 0.76 4.63 0.79 3.44 0.19 3.46 0.08 3.43 0.24 F:112 PRO 3.80 0.52 4.13 0.44 3.37 0.17 nan nan 3.37 0.17 F:113 LEU 4.72 0.62 4.66 0.44 4.79 0.76 nan nan 4.79 0.76 F:114 THR 4.10 0.64 4.54 0.42 3.51 0.34 3.04 0.00 3.75 0.02 F:115 VAL 7.31 0.71 6.83 0.41 7.95 0.46 nan nan 7.95 0.46 F:116 LEU 6.02 1.31 7.21 0.35 4.84 0.72 nan nan 4.84 0.72 F:117 CYS 6.87 0.94 6.36 0.70 7.90 0.27 8.17 0.00 7.63 0.00 F:118 ASP 5.64 0.85 6.36 0.51 4.91 0.36 4.63 0.08 5.19 0.32 F:119 MET 5.74 1.21 4.89 0.86 6.59 0.87 7.15 0.00 6.40 0.93 F:120 ASP 3.69 0.56 4.08 0.46 3.30 0.34 3.00 0.03 3.59 0.23 F:121 THR 4.19 0.54 4.46 0.54 3.84 0.25 3.60 0.00 3.95 0.22 F:122 ASP 3.83 0.37 3.83 0.31 3.83 0.43 3.80 0.61 3.86 0.03 F:123 GLY 3.51 0.19 3.51 0.19 nan nan nan nan nan nan F:124 GLY 5.16 0.36 5.16 0.36 nan nan nan nan nan nan F:125 GLY 7.10 0.54 7.10 0.54 nan nan nan nan nan nan F:126 TRP 8.11 0.98 9.05 0.41 7.74 0.89 7.08 0.00 7.81 0.91 F:127 THR 10.45 0.31 10.46 0.35 10.44 0.23 10.24 0.00 10.55 0.23 F:128 VAL 8.26 0.84 8.93 0.25 7.36 0.37 nan nan 7.36 0.37 F:129 PHE 11.21 1.50 9.55 0.65 12.15 0.90 nan nan 12.15 0.90 F:130 GLN 10.71 1.03 9.67 0.43 11.54 0.46 11.59 0.51 11.50 0.42 F:131 ARG 6.36 2.12 8.76 0.35 4.99 1.36 3.96 0.64 5.76 1.23 F:132 ARG 7.82 1.24 7.34 0.88 8.09 1.33 7.14 1.00 8.81 1.06 F:133 MET 4.53 0.83 4.86 0.99 4.20 0.43 4.30 0.09 4.17 0.49 F:134 ASP 3.80 0.56 3.92 0.55 3.67 0.53 3.83 0.65 3.50 0.28 F:135 GLY 4.03 0.62 4.03 0.62 nan nan nan nan nan nan F:136 SER 3.55 0.34 3.63 0.38 3.39 0.15 3.54 0.00 3.24 0.00 F:137 VAL 4.19 0.32 4.25 0.19 4.10 0.42 nan nan 4.10 0.42 F:138 ASP 3.78 0.69 4.28 0.65 3.28 0.18 3.16 0.19 3.39 0.05 F:139 PHE 7.23 1.30 6.02 0.77 7.92 1.01 nan nan 7.92 1.01 F:140 TYR 4.45 0.73 4.80 0.57 4.27 0.73 3.64 0.00 4.36 0.74 F:141 ARG 4.16 0.81 5.03 0.54 3.66 0.42 3.37 0.39 3.87 0.29 F:142 ASP 4.32 0.98 5.12 0.74 3.53 0.32 3.39 0.40 3.66 0.06 F:143 TRP 5.23 0.88 5.36 0.22 5.17 1.03 4.09 0.00 5.30 1.01 F:144 ALA 4.05 0.46 4.27 0.15 3.18 0.00 nan nan 3.18 0.00 F:145 ALA 4.50 0.71 4.71 0.65 3.67 0.00 nan nan 3.67 0.00 F:146 TYR 8.30 0.94 7.26 0.58 8.82 0.60 9.02 0.00 8.79 0.64 F:147 LYS 4.65 1.12 5.62 0.73 3.87 0.70 3.36 0.00 4.00 0.72 F:148 GLN 3.69 0.53 4.06 0.50 3.40 0.33 3.04 0.03 3.64 0.21 F:149 GLY 3.99 0.51 3.99 0.51 nan nan nan nan nan nan F:150 PHE 5.12 1.19 4.04 0.34 5.73 1.05 nan nan 5.73 1.05 F:151 GLY 3.55 0.31 3.55 0.31 nan nan nan nan nan nan F:152 SER 4.04 0.58 4.36 0.44 3.41 0.00 3.40 0.00 3.41 0.00 F:153 GLN 3.71 0.46 4.12 0.24 3.39 0.32 3.03 0.12 3.64 0.11 F:154 LEU 3.44 0.44 3.75 0.41 3.12 0.16 nan nan 3.12 0.16 F:155 GLY 4.92 0.73 4.92 0.73 nan nan nan nan nan nan F:156 GLU 5.91 0.56 5.49 0.47 6.25 0.37 6.48 0.38 6.10 0.27 F:157 PHE 6.43 0.71 6.92 0.62 6.15 0.60 nan nan 6.15 0.60 F:158 TRP 8.64 2.20 5.92 0.79 9.73 1.55 9.25 0.00 9.78 1.62 F:159 LEU 5.30 0.84 4.95 0.66 5.65 0.85 nan nan 5.65 0.85 F:160 GLY 6.42 0.54 6.42 0.54 nan nan nan nan nan nan F:161 ASN 8.07 1.26 6.96 0.45 9.19 0.70 9.73 0.21 8.65 0.59 F:162 ASP 4.08 0.67 4.65 0.48 3.50 0.13 3.45 0.17 3.55 0.01 F:163 ASN 5.37 1.01 6.12 0.66 4.61 0.70 4.09 0.29 5.13 0.58 F:164 ILE 8.90 0.97 8.01 0.43 9.80 0.31 nan nan 9.80 0.31 F:165 HIS 4.85 1.12 5.94 0.62 4.12 0.72 3.60 0.01 4.38 0.76 F:166 ALA 4.56 0.50 4.76 0.35 3.77 0.00 nan nan 3.77 0.00 F:167 LEU 7.73 1.00 6.78 0.32 8.68 0.28 nan nan 8.68 0.28 F:168 THR 6.68 0.96 6.12 0.80 7.42 0.58 6.96 0.00 7.64 0.59 F:169 ALA 3.90 0.64 4.03 0.65 3.39 0.00 nan nan 3.39 0.00 F:170 GLN 3.71 0.36 3.87 0.20 3.08 0.00 nan nan 3.08 0.00 F:171 GLY 3.43 0.17 3.43 0.17 nan nan nan nan nan nan F:172 SER 3.92 0.48 4.18 0.37 3.39 0.04 3.35 0.00 3.43 0.00 F:173 SER 6.16 0.46 6.05 0.50 6.37 0.30 6.07 0.00 6.67 0.00 F:174 GLU 6.23 1.70 7.87 0.73 4.92 0.94 4.07 0.34 5.48 0.78 F:175 LEU 10.66 1.10 9.71 0.52 11.61 0.60 nan nan 11.61 0.60 F:176 ARG 7.48 2.56 10.30 0.48 5.87 1.75 4.51 0.73 6.88 1.59 F:177 THR 10.59 1.31 9.67 0.95 11.81 0.45 12.43 0.00 11.49 0.10 F:178 ASP 6.42 0.95 7.27 0.47 5.56 0.31 5.47 0.41 5.64 0.10 F:179 LEU 8.17 1.55 6.75 0.40 9.59 0.77 nan nan 9.59 0.77 F:180 VAL 5.24 1.12 6.18 0.32 3.98 0.25 nan nan 3.98 0.25 F:181 ASP 5.63 0.89 6.24 0.56 5.01 0.72 4.63 0.73 5.39 0.45 F:182 PHE 4.24 0.75 4.37 0.84 4.17 0.68 nan nan 4.17 0.68 F:183 GLU 3.68 0.46 4.00 0.48 3.43 0.22 3.44 0.26 3.42 0.20 F:184 GLY 3.55 0.37 3.55 0.37 nan nan nan nan nan nan F:185 ASN 3.96 0.74 4.58 0.50 3.33 0.26 3.10 0.08 3.57 0.12 F:186 HIS 3.75 0.46 3.96 0.44 3.61 0.41 3.54 0.48 3.65 0.37 F:187 GLN 4.79 0.97 5.61 0.56 4.13 0.69 3.77 0.59 4.37 0.64 F:188 PHE 4.92 1.27 6.30 0.38 4.14 0.87 nan nan 4.14 0.87 F:189 ALA 7.98 0.33 7.96 0.36 8.06 0.00 nan nan 8.06 0.00 F:190 LYS 5.89 1.41 7.27 0.22 4.79 0.90 3.48 0.31 5.11 0.67 F:191 TYR 7.42 0.68 7.61 0.29 7.32 0.80 6.92 0.00 7.37 0.83 F:192 LYS 4.41 0.99 5.27 0.66 3.72 0.58 3.00 0.02 3.90 0.51 F:193 SER 4.55 0.89 5.14 0.35 3.37 0.15 3.21 0.00 3.52 0.00 F:194 PHE 7.76 1.98 5.44 0.23 9.08 1.12 nan nan 9.08 1.12 F:195 LYS 4.70 1.20 5.91 0.50 3.73 0.53 2.96 0.00 3.93 0.41 F:196 VAL 7.24 1.31 6.23 0.66 8.58 0.49 nan nan 8.58 0.49 F:197 ALA 5.37 0.52 5.52 0.48 4.77 0.00 nan nan 4.77 0.00 F:198 ASP 4.18 0.87 4.96 0.42 3.39 0.33 3.38 0.46 3.41 0.00 F:199 GLU 3.70 0.35 4.01 0.13 3.44 0.26 3.16 0.07 3.63 0.13 F:200 ALA 3.32 0.29 3.41 0.26 2.97 0.00 nan nan 2.97 0.00 F:201 GLU 4.20 0.81 4.95 0.55 3.61 0.39 3.35 0.27 3.79 0.36 F:202 LYS 5.38 1.56 6.70 1.01 4.33 1.03 2.99 0.02 4.66 0.88 F:203 TYR 7.29 1.24 8.39 0.68 6.74 1.09 5.22 0.00 6.96 0.99 F:204 LYS 5.74 1.46 7.12 0.32 4.64 0.99 3.24 0.00 4.98 0.79 F:205 LEU 7.85 1.06 7.01 0.89 8.69 0.18 nan nan 8.69 0.18 F:206 VAL 4.48 0.81 5.06 0.48 3.71 0.43 nan nan 3.71 0.43 F:207 LEU 5.33 1.21 4.31 0.68 6.35 0.62 nan nan 6.35 0.62 F:208 GLY 3.94 0.32 3.94 0.32 nan nan nan nan nan nan F:209 ALA 3.96 0.66 4.15 0.60 3.20 0.00 nan nan 3.20 0.00 F:210 PHE 4.06 0.67 3.83 0.37 4.19 0.77 nan nan 4.19 0.77 F:211 VAL 4.07 0.56 4.01 0.54 4.15 0.57 nan nan 4.15 0.57 F:212 GLY 4.30 0.48 4.30 0.48 nan nan nan nan nan nan F:213 GLY 3.63 0.23 3.63 0.23 nan nan nan nan nan nan F:214 SER 3.57 0.21 3.60 0.21 3.50 0.19 3.69 0.00 3.32 0.00 F:215 ALA 5.17 0.79 4.80 0.25 6.68 0.00 nan nan 6.68 0.00 F:216 GLY 4.47 0.74 4.47 0.74 nan nan nan nan nan nan F:217 ASN 3.88 0.47 3.95 0.40 3.80 0.51 3.88 0.70 3.72 0.16 F:218 SER 5.16 0.35 5.28 0.26 4.92 0.38 4.54 0.00 5.31 0.00 F:219 LEU 7.43 1.45 6.08 0.24 8.78 0.72 nan nan 8.78 0.72 F:220 THR 3.97 0.60 4.31 0.53 3.52 0.33 3.83 0.00 3.37 0.31 F:221 GLY 3.40 0.25 3.40 0.25 nan nan nan nan nan nan F:222 HIS 5.50 0.45 5.19 0.38 5.70 0.38 5.57 0.41 5.76 0.35 F:223 ASN 4.03 0.60 4.32 0.57 3.74 0.46 3.64 0.64 3.83 0.05 F:224 ASN 3.94 0.59 4.40 0.47 3.49 0.24 3.32 0.24 3.66 0.04 F:225 ASN 5.09 1.06 5.82 0.87 4.36 0.64 3.87 0.14 4.85 0.56 F:226 PHE 5.16 1.69 7.06 1.00 4.08 0.82 nan nan 4.08 0.82 F:227 PHE 10.56 1.65 8.64 0.61 11.65 0.86 nan nan 11.65 0.86 F:228 SER 8.73 1.11 9.37 0.69 7.45 0.54 6.91 0.00 7.99 0.00 F:229 THR 7.32 0.81 7.21 0.85 7.46 0.73 6.59 0.00 7.89 0.47 F:230 LYS 4.11 0.88 4.72 0.92 3.62 0.44 3.07 0.00 3.75 0.38 F:231 ASP 3.74 0.50 3.76 0.40 3.72 0.57 3.92 0.70 3.52 0.30 F:232 GLN 4.26 0.58 4.70 0.55 3.90 0.30 3.79 0.35 3.98 0.23 F:233 ASP 3.74 0.34 3.82 0.39 3.67 0.27 3.71 0.36 3.62 0.11 F:234 ASN 4.34 0.56 4.14 0.36 4.53 0.64 4.54 0.91 4.52 0.00 F:235 ASP 5.12 0.96 4.36 0.63 5.87 0.54 5.68 0.69 6.07 0.17 F:236 VAL 3.59 0.48 3.82 0.50 3.29 0.20 nan nan 3.29 0.20 F:237 SER 4.28 0.49 4.02 0.25 4.80 0.44 4.36 0.00 5.24 0.00 F:238 SER 3.37 0.31 3.52 0.27 3.07 0.10 2.97 0.00 3.16 0.00 F:239 SER 3.82 0.34 3.91 0.31 3.64 0.35 3.99 0.00 3.30 0.00 F:240 ASN 4.17 0.59 4.23 0.43 4.11 0.72 4.35 0.91 3.87 0.29 F:241 CYS 6.63 0.45 6.45 0.37 6.99 0.36 6.63 0.00 7.35 0.00 F:242 ALA 7.36 0.57 7.16 0.45 8.18 0.00 nan nan 8.18 0.00 F:243 GLU 4.18 0.81 4.72 0.77 3.74 0.50 3.29 0.19 4.04 0.42 F:244 LYS 3.58 0.39 3.89 0.28 3.32 0.26 2.95 0.00 3.42 0.20 F:245 PHE 5.32 1.06 6.15 0.66 4.85 0.96 nan nan 4.85 0.96 F:246 GLN 5.19 1.39 6.57 0.42 4.08 0.77 3.42 0.11 4.53 0.70 F:247 GLY 8.86 0.48 8.86 0.48 nan nan nan nan nan nan F:248 ALA 11.56 0.91 11.77 0.90 10.70 0.00 nan nan 10.70 0.00 F:249 TRP 11.21 1.38 11.91 0.64 10.93 1.49 8.72 0.00 11.18 1.36 F:250 TRP 10.89 1.46 9.19 1.23 11.56 0.88 11.27 0.00 11.60 0.92 F:251 TYR 8.64 1.24 7.42 0.90 9.25 0.88 10.20 0.00 9.12 0.86 F:252 ALA 4.79 0.76 5.12 0.44 3.49 0.00 nan nan 3.49 0.00 F:253 ASP 3.61 0.40 3.71 0.48 3.51 0.28 3.38 0.35 3.64 0.00 F:254 CYS 4.46 0.51 4.33 0.57 4.71 0.17 4.88 0.00 4.53 0.00 F:255 HIS 5.08 1.03 3.86 0.24 5.89 0.26 6.05 0.13 5.82 0.28 F:256 ALA 4.41 0.87 4.69 0.75 3.30 0.00 nan nan 3.30 0.00 F:257 SER 7.44 0.67 7.32 0.79 7.68 0.16 7.51 0.00 7.84 0.00 F:258 ASN 10.48 0.66 10.98 0.41 9.98 0.46 9.76 0.55 10.21 0.13 F:259 LEU 12.25 0.64 11.72 0.49 12.78 0.12 nan nan 12.78 0.12 F:260 ASN 10.58 1.50 9.43 1.27 11.74 0.51 12.08 0.26 11.39 0.47 F:261 GLY 7.27 1.18 7.27 1.18 nan nan nan nan nan nan F:262 LEU 4.50 0.90 5.27 0.55 3.72 0.35 nan nan 3.72 0.35 F:263 TYR 4.80 0.70 4.26 0.37 5.06 0.67 4.39 0.00 5.16 0.66 F:264 LEU 4.23 0.58 4.41 0.55 4.05 0.54 nan nan 4.05 0.54 F:265 MET 4.17 0.73 4.57 0.70 3.78 0.52 3.38 0.09 3.91 0.54 F:266 GLY 5.16 0.38 5.16 0.38 nan nan nan nan nan nan F:267 PRO 3.61 0.44 3.89 0.39 3.25 0.15 nan nan 3.25 0.15 F:268 HIS 4.94 1.21 3.80 0.07 5.69 1.00 6.26 0.61 5.41 1.04 F:269 GLU 3.39 0.34 3.73 0.14 3.13 0.17 2.93 0.02 3.26 0.09 F:270 SER 3.94 0.68 4.22 0.68 3.40 0.10 3.50 0.00 3.30 0.00 F:271 TYR 3.67 0.48 4.20 0.43 3.41 0.20 3.11 0.00 3.45 0.18 F:272 ALA 6.23 0.61 6.49 0.36 5.20 0.00 nan nan 5.20 0.00 F:273 ASN 5.53 1.08 6.53 0.21 4.53 0.52 4.26 0.56 4.80 0.28 F:274 GLY 8.38 0.87 8.38 0.87 nan nan nan nan nan nan F:275 ILE 9.88 1.00 10.27 0.79 9.48 1.03 nan nan 9.48 1.03 F:276 ASN 9.22 0.86 9.98 0.52 8.46 0.23 8.36 0.29 8.56 0.04 F:277 TRP 8.29 1.11 7.58 0.99 8.57 1.02 6.94 0.00 8.76 0.91 F:278 SER 4.27 0.78 4.47 0.88 3.88 0.22 3.66 0.00 4.10 0.00 F:279 ALA 3.62 0.35 3.67 0.37 3.43 0.00 nan nan 3.43 0.00 F:280 ALA 4.25 0.59 4.08 0.53 4.93 0.00 nan nan 4.93 0.00 F:281 LYS 3.95 0.58 4.05 0.43 3.87 0.67 2.96 0.00 4.10 0.55 F:282 GLY 4.20 0.65 4.20 0.65 nan nan nan nan nan nan F:283 TYR 4.24 0.71 4.71 0.70 4.00 0.59 3.30 0.00 4.11 0.56 F:284 LYS 3.68 0.41 4.07 0.16 3.37 0.25 3.00 0.00 3.47 0.19 F:285 TYR 5.19 0.92 5.83 0.95 4.87 0.70 4.87 0.00 4.87 0.75 F:286 SER 7.85 0.50 7.87 0.60 7.82 0.14 7.96 0.00 7.67 0.00 F:287 TYR 8.30 1.16 9.07 0.58 7.92 1.19 5.97 0.00 8.20 1.00 F:288 LYS 5.14 1.36 6.38 0.69 4.15 0.85 3.09 0.06 4.41 0.74 F:289 VAL 5.38 1.28 6.42 0.53 3.99 0.33 nan nan 3.99 0.33 F:290 SER 8.27 1.15 7.49 0.29 9.82 0.42 10.23 0.01 9.40 0.00 F:291 GLU 6.17 1.86 8.03 0.55 4.68 0.99 3.83 0.37 5.24 0.85 F:292 MET 11.46 1.40 10.21 0.45 12.70 0.79 13.31 0.00 12.50 0.82 F:293 LYS 9.35 2.12 11.37 0.27 7.74 1.46 5.54 0.00 8.29 1.08 F:294 VAL 10.28 0.86 9.95 0.97 10.74 0.36 nan nan 10.74 0.36 F:295 ARG 5.34 1.33 6.77 0.73 4.53 0.82 3.94 0.27 4.97 0.81 F:296 PRO 4.30 0.57 4.43 0.56 4.13 0.55 nan nan 4.13 0.55 F:297 ALA 3.73 0.55 3.85 0.58 3.48 0.37 3.11 0.00 3.86 0.00