#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ih6 s ASN 256 N 0.00 0.56 -0.09 4.04 0.01 -1.26 -1.24 114.94 116.96 3ih6 s ASN 256 Ca 0.00 -0.02 -0.07 0.00 -0.71 0.00 0.00 52.86 52.06 3ih6 s ASN 256 Cb 0.00 -0.23 0.03 0.00 0.41 0.00 0.00 41.25 41.46 3ih6 s ASN 256 CO 0.00 -0.12 0.23 0.00 -1.51 0.00 0.00 177.10 175.71 3ih6 s ALA 257 N 1.18 -0.56 -0.19 0.60 0.00 -0.13 -5.01 121.76 117.64 3ih6 s ALA 257 Ca -0.08 0.80 -0.04 0.00 0.00 0.00 0.00 51.96 52.65 3ih6 s ALA 257 Cb -0.13 -0.49 0.09 0.00 0.00 0.00 0.00 23.12 22.58 3ih6 s ALA 257 CO -0.02 -0.15 0.22 -0.47 0.00 0.00 0.00 175.76 175.34 3ih6 s TYR 258 N 0.65 -0.28 -0.17 0.00 5.04 -1.26 -1.64 117.35 119.69 3ih6 s TYR 258 Ca -0.04 0.29 0.01 0.00 -2.44 0.00 0.00 57.07 54.89 3ih6 s TYR 258 Cb -0.06 -0.33 0.02 0.00 0.35 0.00 0.00 41.96 41.93 3ih6 s TYR 258 CO -0.04 -0.57 -0.20 0.99 -1.34 0.00 0.00 175.55 174.39 3ih6 s THR 259 N 2.33 2.09 0.22 4.34 2.01 0.80 -4.94 115.64 122.50 3ih6 s THR 259 Ca 0.06 -0.94 0.09 0.00 0.31 0.00 0.00 61.69 61.21 3ih6 s THR 259 Cb -0.15 -1.86 -0.04 0.00 0.01 0.00 0.00 72.50 70.45 3ih6 s THR 259 CO -0.11 0.54 -0.07 0.68 -0.69 0.00 0.00 174.62 174.96 3ih6 s VAL 260 N 1.12 3.21 0.56 3.82 -7.23 -1.26 -0.89 120.40 119.74 3ih6 s VAL 260 Ca 0.01 -1.83 -0.15 0.00 -1.81 0.00 0.00 61.98 58.19 3ih6 s VAL 260 Cb -0.14 -2.65 -0.05 0.00 0.56 0.00 0.00 36.38 34.10 3ih6 s VAL 260 CO -0.09 -0.24 1.02 -0.70 -0.31 0.00 0.00 175.10 174.78 3ih6 s GLU 261 N -3.22 3.61 -1.15 4.82 2.12 -0.71 -4.98 118.70 119.19 3ih6 s GLU 261 Ca 0.28 1.04 -0.09 0.00 0.36 0.00 0.00 54.97 56.56 3ih6 s GLU 261 Cb -0.07 -2.08 0.25 0.00 0.26 0.00 0.00 34.13 32.49 3ih6 s GLU 261 CO 0.17 -0.56 1.38 -0.35 -0.54 0.00 0.00 175.26 175.36 3ih6 n PRO 262 N -1.94 3.79 0.00 4.30 -0.04 -1.26 -5.03 135.00 134.82 3ih6 n PRO 262 Ca 0.07 -4.26 0.00 0.00 -0.04 0.00 0.00 63.50 59.28 3ih6 n PRO 262 Cb 0.53 -2.68 0.00 0.00 -0.04 0.00 0.00 33.50 31.32 3ih6 n PRO 262 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 3ih6 n VAL 263 N 2.74 0.00 0.00 0.52 0.24 -1.26 -5.31 118.33 115.26 3ih6 n VAL 263 Ca 0.29 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.59 3ih6 n VAL 263 Cb 0.38 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.75 3ih6 n VAL 263 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3ih6 n GLY 276 N 1.51 0.00 0.00 7.63 0.00 -1.26 -5.26 105.19 107.81 3ih6 n GLY 276 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3ih6 n GLY 276 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ih6 n GLY 277 N 0.00 1.46 3.08 -0.02 0.00 -1.26 -4.95 105.19 103.51 3ih6 n GLY 277 Ca 0.00 -0.12 -0.33 0.00 0.00 0.00 0.00 46.02 45.57 3ih6 n GLY 277 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ih6 s THR 278 N 4.04 2.42 0.56 2.61 2.01 -1.26 -3.97 115.64 122.04 3ih6 s THR 278 Ca 0.00 -1.76 -0.19 0.00 0.31 0.00 0.00 61.69 60.04 3ih6 s THR 278 Cb 0.00 -2.51 -0.05 0.00 0.01 0.00 0.00 72.50 69.95 3ih6 s THR 278 CO 0.00 -0.20 1.16 -2.84 -0.69 0.00 0.00 174.62 172.05 3ih6 s PRO 279 N 1.09 3.23 -0.02 4.92 0.02 -1.23 -4.67 135.00 138.34 3ih6 s PRO 279 Ca -0.03 1.71 0.04 0.00 0.02 0.00 0.00 61.00 62.74 3ih6 s PRO 279 Cb -0.20 -2.00 -0.01 0.00 0.02 0.00 0.00 34.50 32.31 3ih6 s PRO 279 CO -0.05 -0.97 -0.13 -0.51 -0.33 0.00 0.00 177.00 175.01 3ih6 s LEU 280 N -3.85 1.95 0.23 -5.54 1.43 -0.54 -0.02 118.68 112.33 3ih6 s LEU 280 Ca 0.74 -0.24 0.11 0.00 -1.03 0.00 0.00 54.13 53.71 3ih6 s LEU 280 Cb -0.27 -0.69 -0.05 0.00 0.03 0.00 0.00 46.19 45.21 3ih6 s LEU 280 CO 0.30 0.14 -0.17 0.68 0.23 0.00 0.00 176.35 177.53 3ih6 s VAL 281 N -0.14 2.68 -0.03 -1.59 -7.23 -0.83 -0.21 120.40 113.06 3ih6 s VAL 281 Ca 0.02 -2.10 -0.15 0.00 -1.81 0.00 0.00 61.98 57.94 3ih6 s VAL 281 Cb -0.07 -2.36 0.03 0.00 0.56 0.00 0.00 36.38 34.54 3ih6 s VAL 281 CO 0.00 -0.26 0.32 0.00 -0.31 0.00 0.00 175.10 174.85 3ih6 s ALA 282 N -2.08 -0.81 0.37 1.32 0.00 0.19 -1.14 121.76 119.61 3ih6 s ALA 282 Ca 0.26 0.42 0.02 0.00 0.00 0.00 0.00 51.96 52.66 3ih6 s ALA 282 Cb -0.07 -0.01 -0.01 0.00 0.00 0.00 0.00 23.12 23.04 3ih6 s ALA 282 CO 0.14 -0.25 0.05 0.00 0.00 0.00 0.00 175.76 175.70 3ih6 n ALA 283 N 1.47 0.40 0.00 0.00 0.00 0.10 -0.85 120.51 121.63 3ih6 n ALA 283 Ca -0.20 -1.75 0.00 0.00 0.00 0.00 0.00 53.44 51.48 3ih6 n ALA 283 Cb 0.56 1.06 0.00 0.00 0.00 0.00 0.00 19.45 21.07 3ih6 n ALA 283 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3ih6 n TYR 285 N -0.88 0.00 -3.72 0.00 4.01 -0.18 -1.99 117.16 114.39 3ih6 n TYR 285 Ca -0.11 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.33 3ih6 n TYR 285 Cb 0.50 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.49 3ih6 n TYR 285 CO 0.00 0.00 0.00 -3.38 -0.46 0.00 0.00 176.86 173.02 3ih6 s HIS 286 N -2.00 3.48 0.38 -0.72 -3.43 -1.26 -0.23 115.29 111.51 3ih6 s HIS 286 Ca 0.00 0.43 -0.15 0.00 -0.80 0.00 0.00 55.06 54.54 3ih6 s HIS 286 Cb 0.00 -1.91 -0.09 0.00 -1.43 0.00 0.00 32.58 29.15 3ih6 s HIS 286 CO 0.00 0.44 0.80 -0.51 -2.00 0.00 0.00 174.74 173.47 3ih6 s LEU 287 N -2.85 3.95 0.94 5.38 1.43 0.20 -4.72 118.68 123.00 3ih6 s LEU 287 Ca 0.39 1.33 -0.10 0.00 -1.03 0.00 0.00 54.13 54.71 3ih6 s LEU 287 Cb -0.12 -4.17 0.16 0.00 0.03 0.00 0.00 46.19 42.10 3ih6 s LEU 287 CO 0.27 -0.31 1.13 -2.84 0.23 0.00 0.00 176.35 174.83 3ih6 s PRO 288 N -3.32 0.78 0.36 1.29 0.02 -1.26 -4.81 135.00 128.07 3ih6 s PRO 288 Ca 0.55 1.45 -0.25 0.00 0.02 0.00 0.00 61.00 62.76 3ih6 s PRO 288 Cb -0.10 -1.71 -0.12 0.00 0.02 0.00 0.00 34.50 32.59 3ih6 s PRO 288 CO 0.21 -2.76 0.91 0.00 -0.33 0.00 0.00 177.00 175.03 3ih6 n ALA 289 N -4.31 -0.39 0.24 -1.55 0.00 -1.26 -4.85 120.51 108.39 3ih6 n ALA 289 Ca 0.11 0.29 0.11 0.00 0.00 0.00 0.00 53.44 53.95 3ih6 n ALA 289 Cb 0.52 -1.98 0.61 0.00 0.00 0.00 0.00 19.45 18.60 3ih6 n ALA 289 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ih6 h ALA 290 N 1.56 1.18 0.00 0.00 0.00 -1.94 -2.25 119.26 117.80 3ih6 h ALA 290 Ca -0.41 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.34 3ih6 h ALA 290 Cb 1.35 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.12 3ih6 h ALA 290 CO 0.57 0.21 0.00 0.41 0.00 0.00 0.00 179.25 180.45 3ih6 n GLY 291 N -0.35 -1.56 3.75 0.00 0.00 -1.26 -4.84 105.19 100.93 3ih6 n GLY 291 Ca -0.01 -0.04 -0.40 0.00 0.00 0.00 0.00 46.02 45.56 3ih6 n GLY 291 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3ih6 s SER 292 N -3.87 7.51 0.29 1.61 0.15 -0.85 -4.97 113.70 113.58 3ih6 s SER 292 Ca 0.11 2.00 -0.03 0.00 0.70 0.00 0.00 55.95 58.74 3ih6 s SER 292 Cb 0.14 -2.61 0.62 0.00 -1.71 0.00 0.00 66.02 62.46 3ih6 s SER 292 CO 0.54 0.02 1.55 -2.65 1.20 0.00 0.00 173.24 173.89 3ih6 n PRO 293 N 1.76 -0.08 0.07 5.44 -0.01 -1.26 -1.42 135.00 139.49 3ih6 n PRO 293 Ca -0.01 1.51 0.21 0.00 -0.01 0.00 0.00 63.50 65.20 3ih6 n PRO 293 Cb 0.47 -2.33 0.74 0.00 -0.01 0.00 0.00 33.50 32.37 3ih6 n PRO 293 CO 0.00 0.00 0.00 -0.44 -0.01 0.00 0.00 175.50 175.05 3ih6 h ASP 294 N 0.00 0.00 0.23 2.55 3.32 -1.91 -3.07 116.42 117.53 3ih6 h ASP 294 Ca 0.54 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.58 3ih6 h ASP 294 Cb 1.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.55 3ih6 h ASP 294 CO -0.97 0.00 -0.11 0.15 -1.72 0.00 0.00 179.24 176.59 3ih6 h PHE 295 N 0.00 -0.29 0.00 4.55 3.57 -1.44 -1.06 116.94 122.26 3ih6 h PHE 295 Ca 0.21 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.64 3ih6 h PHE 295 Cb 1.05 0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.88 3ih6 h PHE 295 CO 0.00 -0.18 -0.27 -0.39 -2.23 0.00 0.00 178.31 175.24 3ih6 h VAL 296 N -0.31 1.07 -0.28 1.41 -1.51 -1.73 -1.63 116.25 113.27 3ih6 h VAL 296 Ca -0.03 -0.98 0.06 0.00 -1.23 0.00 0.00 66.70 64.52 3ih6 h VAL 296 Cb 0.24 1.55 -0.06 0.00 -2.13 0.00 0.00 31.29 30.89 3ih6 h VAL 296 CO 0.05 0.27 -0.09 1.23 -1.23 0.00 0.00 177.57 177.80 3ih6 h GLY 297 N 0.99 0.17 2.00 5.19 0.00 -1.34 0.27 103.07 110.35 3ih6 h GLY 297 Ca -0.00 0.11 -0.11 0.00 0.00 0.00 0.00 47.33 47.33 3ih6 h GLY 297 CO 0.04 -0.12 -0.51 -2.00 0.00 0.00 0.00 176.54 173.95 3ih6 h LEU 298 N -0.03 0.00 0.36 3.11 5.85 -0.77 0.00 115.31 123.83 3ih6 h LEU 298 Ca 0.14 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.84 3ih6 h LEU 298 Cb 0.24 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.27 3ih6 h LEU 298 CO -0.30 0.51 -0.17 -0.78 -0.34 0.00 0.00 178.44 177.35 3ih6 h ASP 299 N 0.00 -0.41 -0.71 1.25 3.58 -0.30 -1.80 116.42 118.03 3ih6 h ASP 299 Ca -0.01 -0.09 -0.01 0.00 0.42 0.00 0.00 57.03 57.34 3ih6 h ASP 299 Cb 0.97 0.11 -0.03 0.00 1.72 0.00 0.00 39.33 42.09 3ih6 h ASP 299 CO 0.07 -0.15 0.39 -0.07 -2.88 0.00 0.00 179.24 176.59 3ih6 h LEU 300 N -0.66 0.89 -0.42 2.28 3.38 -0.27 -2.88 115.31 117.63 3ih6 h LEU 300 Ca -0.05 -0.10 0.06 0.00 0.09 0.00 0.00 57.88 57.88 3ih6 h LEU 300 Cb 0.47 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.94 3ih6 h LEU 300 CO 0.08 0.73 0.13 0.00 0.09 0.00 0.00 178.44 179.47 3ih6 h ALA 301 N 1.19 0.49 -0.15 1.53 0.00 -0.95 -2.30 119.26 119.08 3ih6 h ALA 301 Ca 0.25 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.22 3ih6 h ALA 301 Cb 0.04 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3ih6 h ALA 301 CO -0.04 -0.27 0.07 0.00 0.00 0.00 0.00 179.25 179.02 3ih6 h ALA 302 N 1.29 1.85 -0.29 0.00 0.00 -1.10 0.14 119.26 121.17 3ih6 h ALA 302 Ca 0.20 -0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.91 3ih6 h ALA 302 Cb 0.21 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 3ih6 h ALA 302 CO -0.22 0.13 -0.50 1.15 0.00 0.00 0.00 179.25 179.81 3ih6 h THR 303 N 0.20 1.29 -0.64 0.00 2.02 -1.44 -0.81 112.91 113.54 3ih6 h THR 303 Ca 0.05 -1.69 -0.07 0.00 0.77 0.00 0.00 66.41 65.47 3ih6 h THR 303 Cb 0.02 1.59 -0.03 0.00 -1.74 0.00 0.00 68.15 67.99 3ih6 h THR 303 CO -0.01 0.55 0.10 0.40 0.37 0.00 0.00 175.52 176.93 3ih6 h ILE 304 N 0.62 1.26 -0.02 3.11 2.04 -0.62 -2.23 117.51 121.66 3ih6 h ILE 304 Ca 0.03 -1.01 -0.17 0.00 1.00 0.00 0.00 64.86 64.71 3ih6 h ILE 304 Cb 1.08 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 37.80 3ih6 h ILE 304 CO 0.11 0.38 -0.73 -0.07 0.00 0.00 0.00 178.15 177.83 3ih6 h LEU 305 N 0.97 0.19 0.00 1.44 3.38 -0.63 -2.88 115.31 117.78 3ih6 h LEU 305 Ca 0.20 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3ih6 h LEU 305 Cb 0.42 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.11 3ih6 h LEU 305 CO 0.01 0.86 -0.63 0.00 0.09 0.00 0.00 178.44 178.76 3ih6 n ALA 306 N -2.45 1.77 -2.87 1.53 0.00 -0.32 -0.56 120.51 117.62 3ih6 n ALA 306 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.07 3ih6 n ALA 306 Cb 0.71 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 20.05 3ih6 n ALA 306 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3ih6 s ASP 307 N -1.52 5.45 0.30 0.00 2.15 -0.84 -4.29 116.67 117.92 3ih6 s ASP 307 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 52.55 52.98 3ih6 s ASP 307 Cb 0.00 -1.94 0.00 0.00 -0.30 0.00 0.00 42.92 40.68 3ih6 s ASP 307 CO 0.00 0.13 0.00 0.35 -0.17 0.00 0.00 175.17 175.48 3ih6 n THR 308 N 3.82 -0.59 0.19 1.71 -2.24 -1.26 -3.76 114.28 112.15 3ih6 n THR 308 Ca -0.16 0.50 0.18 0.00 -2.27 0.00 0.00 64.05 62.30 3ih6 n THR 308 Cb 0.52 -0.76 0.79 0.00 -2.10 0.00 0.00 70.33 68.77 3ih6 n THR 308 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 3ih6 h PRO 309 N -0.59 0.00 0.00 -0.78 0.11 -1.94 0.62 132.00 129.42 3ih6 h PRO 309 Ca -0.09 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.02 3ih6 h PRO 309 Cb 0.64 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.75 3ih6 h PRO 309 CO 0.03 0.00 0.00 0.43 -0.21 0.00 0.00 178.00 178.25 3ih6 n SER 310 N -3.46 0.20 -4.74 -2.05 7.64 -1.26 -4.05 113.62 105.90 3ih6 n SER 310 Ca 0.03 0.53 -0.32 0.00 1.01 0.00 0.00 58.87 60.12 3ih6 n SER 310 Cb 0.49 -0.58 0.10 0.00 -1.01 0.00 0.00 64.21 63.22 3ih6 n SER 310 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3ih6 s SER 311 N -3.37 4.19 0.05 6.43 1.04 0.21 -4.83 113.70 117.41 3ih6 s SER 311 Ca 0.12 2.05 -0.23 0.00 0.48 0.00 0.00 55.95 58.36 3ih6 s SER 311 Cb 0.15 -2.55 -0.16 0.00 0.10 0.00 0.00 66.02 63.56 3ih6 s SER 311 CO 0.49 -2.25 1.52 0.03 0.98 0.00 0.00 173.24 174.01 3ih6 h ARG 312 N -0.91 0.07 -0.13 4.02 2.47 -1.32 -1.99 114.38 116.59 3ih6 h ARG 312 Ca -0.45 -0.02 0.04 0.00 -1.26 0.00 0.00 59.98 58.29 3ih6 h ARG 312 Cb 1.26 -0.01 -0.04 0.00 -1.65 0.00 0.00 29.97 29.53 3ih6 h ARG 312 CO 0.49 0.29 -0.10 -0.07 0.56 0.00 0.00 179.97 181.14 3ih6 h LEU 313 N -0.15 -0.31 -0.25 3.04 3.38 -1.13 -1.83 115.31 118.06 3ih6 h LEU 313 Ca 0.01 0.07 0.04 0.00 0.09 0.00 0.00 57.88 58.09 3ih6 h LEU 313 Cb 0.25 0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.12 3ih6 h LEU 313 CO 0.00 -0.13 0.02 0.22 0.09 0.00 0.00 178.44 178.64 3ih6 h TYR 314 N -0.10 0.04 -0.36 1.13 3.20 -1.67 -0.48 116.97 118.72 3ih6 h TYR 314 Ca 0.08 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.94 3ih6 h TYR 314 Cb 0.23 0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.50 3ih6 h TYR 314 CO -0.22 -0.01 0.07 1.25 -1.64 0.00 0.00 178.16 177.61 3ih6 h HIS 315 N 0.11 0.54 0.02 -3.82 2.76 -1.19 -1.35 115.15 112.21 3ih6 h HIS 315 Ca 0.12 -0.03 -0.23 0.00 -2.20 0.00 0.00 60.37 58.02 3ih6 h HIS 315 Cb 0.13 -0.16 0.00 0.00 1.55 0.00 0.00 27.41 28.93 3ih6 h HIS 315 CO -0.18 0.48 -0.98 0.00 -1.30 0.00 0.00 177.93 175.96 3ih6 h ALA 316 N 1.57 0.33 0.00 5.26 0.00 -0.70 -3.39 119.26 122.33 3ih6 h ALA 316 Ca 0.12 -0.73 -0.32 0.00 0.00 0.00 0.00 54.91 53.99 3ih6 h ALA 316 Cb 0.22 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.94 3ih6 h ALA 316 CO -0.00 0.83 -2.32 1.28 0.00 0.00 0.00 179.25 179.04 3ih6 n LEU 317 N -3.72 0.02 -0.12 0.00 4.77 -0.25 -4.50 117.00 113.20 3ih6 n LEU 317 Ca -0.07 0.01 -0.21 0.00 -0.03 0.00 0.00 56.01 55.71 3ih6 n LEU 317 Cb 0.86 0.42 -0.08 0.00 -2.33 0.00 0.00 43.42 42.29 3ih6 n LEU 317 CO 0.52 0.43 -1.06 0.52 -1.33 0.00 0.00 177.39 176.46 3ih6 n VAL 318 N -2.69 1.51 0.29 4.08 0.31 -0.53 0.22 118.33 121.53 3ih6 n VAL 318 Ca -0.29 -0.16 0.14 0.00 -0.01 0.00 0.00 64.34 64.03 3ih6 n VAL 318 Cb 1.07 -2.07 0.85 0.00 -0.91 0.00 0.00 33.84 32.79 3ih6 n VAL 318 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 3ih6 h PRO 319 N -1.00 0.00 0.00 5.55 0.11 -1.76 0.14 132.00 135.04 3ih6 h PRO 319 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3ih6 h PRO 319 Cb 1.34 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.45 3ih6 h PRO 319 CO -0.25 0.04 0.00 0.25 -0.21 0.00 0.00 178.00 177.83 3ih6 n THR 320 N -3.79 0.02 -1.60 -1.15 -2.24 -1.26 -4.91 114.28 99.36 3ih6 n THR 320 Ca -0.03 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.64 3ih6 n THR 320 Cb 0.13 -0.51 -0.04 0.00 -2.10 0.00 0.00 70.33 67.81 3ih6 n THR 320 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3ih6 n LYS 321 N -1.28 -0.87 0.09 -0.78 4.76 0.49 -4.90 118.16 115.67 3ih6 n LYS 321 Ca 0.14 0.83 -0.02 0.00 -2.87 0.00 0.00 58.31 56.39 3ih6 n LYS 321 Cb 0.24 -4.88 -0.05 0.00 -1.84 0.00 0.00 35.03 28.50 3ih6 n LYS 321 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 3ih6 h LEU 322 N 0.00 0.00 -8.00 -0.35 3.38 -0.44 -3.48 115.31 106.43 3ih6 h LEU 322 Ca -0.26 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.61 3ih6 h LEU 322 Cb 0.90 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.51 3ih6 h LEU 322 CO 0.35 0.71 -0.48 0.00 0.09 0.00 0.00 178.44 179.12 3ih6 s ALA 323 N -2.85 0.08 -0.06 1.53 0.00 0.88 -4.79 121.76 116.56 3ih6 s ALA 323 Ca 0.01 -0.87 0.13 0.00 0.00 0.00 0.00 51.96 51.24 3ih6 s ALA 323 Cb 0.09 0.47 -0.22 0.00 0.00 0.00 0.00 23.12 23.45 3ih6 s ALA 323 CO 0.78 -0.48 0.64 0.45 0.00 0.00 0.00 175.76 177.16 3ih6 n SER 324 N -0.02 0.82 -3.57 0.00 2.88 0.52 -4.30 113.62 109.96 3ih6 n SER 324 Ca -0.14 0.39 -0.01 0.00 -1.33 0.00 0.00 58.87 57.79 3ih6 n SER 324 Cb 0.62 0.02 0.01 0.00 -0.75 0.00 0.00 64.21 64.11 3ih6 n SER 324 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 3ih6 s GLY 325 N -5.10 -0.02 0.04 0.46 0.00 -1.14 -1.74 107.32 99.81 3ih6 s GLY 325 Ca -0.05 -0.11 -0.00 0.00 0.00 0.00 0.00 44.72 44.56 3ih6 s GLY 325 CO 0.82 3.40 -0.03 -1.34 0.00 0.00 0.00 173.10 175.95 3ih6 s VAL 326 N -2.17 0.22 0.05 1.40 -7.23 -0.06 -0.44 120.40 112.17 3ih6 s VAL 326 Ca 0.24 -1.53 -0.08 0.00 -1.81 0.00 0.00 61.98 58.79 3ih6 s VAL 326 Cb -0.01 -1.14 -0.00 0.00 0.56 0.00 0.00 36.38 35.79 3ih6 s VAL 326 CO 0.02 -0.83 0.16 0.72 -0.31 0.00 0.00 175.10 174.86 3ih6 s PHE 327 N -3.12 0.13 -0.23 2.82 -0.71 -0.23 -0.14 117.98 116.50 3ih6 s PHE 327 Ca 0.00 -0.44 -0.10 0.00 -1.04 0.00 0.00 56.93 55.36 3ih6 s PHE 327 Cb 0.02 -0.08 0.09 0.00 -1.21 0.00 0.00 43.02 41.85 3ih6 s PHE 327 CO -0.07 -0.44 0.52 0.20 -1.34 0.00 0.00 175.22 174.08 3ih6 s GLY 328 N -2.33 -0.49 -0.01 1.99 0.00 -0.65 -0.59 107.32 105.23 3ih6 s GLY 328 Ca -0.02 1.86 0.01 0.00 0.00 0.00 0.00 44.72 46.58 3ih6 s GLY 328 CO -0.06 2.39 -0.04 -1.36 0.00 0.00 0.00 173.10 174.03 3ih6 s PHE 329 N 2.22 0.39 0.42 1.90 0.40 -1.26 -0.96 117.98 121.09 3ih6 s PHE 329 Ca -0.06 -0.07 0.07 0.00 -0.60 0.00 0.00 56.93 56.27 3ih6 s PHE 329 Cb -0.10 -0.29 0.07 0.00 0.51 0.00 0.00 43.02 43.21 3ih6 s PHE 329 CO -0.15 -0.03 0.54 0.25 0.70 0.00 0.00 175.22 176.52 3ih6 n THR 330 N 3.19 0.00 0.00 0.64 -2.24 -0.37 -4.31 114.28 111.19 3ih6 n THR 330 Ca -0.15 -1.44 0.00 0.00 -2.27 0.00 0.00 64.05 60.19 3ih6 n THR 330 Cb 0.57 -0.57 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 3ih6 n THR 330 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3ih6 n ASP 332 N -2.41 0.00 0.14 3.42 2.03 -1.26 -4.33 116.55 114.14 3ih6 n ASP 332 Ca 0.10 0.00 0.13 0.00 0.52 0.00 0.00 54.79 55.54 3ih6 n ASP 332 Cb 0.44 0.00 0.47 0.00 -0.72 0.00 0.00 41.12 41.31 3ih6 n ASP 332 CO 0.00 0.00 0.00 1.56 -1.92 0.00 0.00 177.20 176.84 3ih6 h GLN 333 N 0.00 0.00 -6.89 -0.67 7.50 -1.97 -3.44 115.11 109.64 3ih6 h GLN 333 Ca 0.00 0.00 -0.48 0.00 0.50 0.00 0.00 58.65 58.67 3ih6 h GLN 333 Cb 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 27.52 3ih6 h GLN 333 CO 0.00 0.00 0.18 -0.51 -1.50 0.00 0.00 178.83 177.00 3ih6 s LEU 334 N -4.75 3.87 -0.20 1.46 1.43 -1.26 -5.05 118.68 114.19 3ih6 s LEU 334 Ca 0.06 1.31 -0.02 0.00 -1.03 0.00 0.00 54.13 54.45 3ih6 s LEU 334 Cb 0.10 -4.18 0.06 0.00 0.03 0.00 0.00 46.19 42.20 3ih6 s LEU 334 CO 0.48 -0.37 0.02 -1.81 0.23 0.00 0.00 176.35 174.89 3ih6 s ASP 335 N -2.78 3.10 0.49 2.29 1.11 -1.26 -2.43 116.67 117.20 3ih6 s ASP 335 Ca 0.55 -0.89 -0.22 0.00 0.18 0.00 0.00 52.55 52.16 3ih6 s ASP 335 Cb -0.10 -0.72 -0.07 0.00 1.07 0.00 0.00 42.92 43.10 3ih6 s ASP 335 CO 0.25 -0.29 1.17 -2.84 1.18 0.00 0.00 175.17 174.64 3ih6 s PRO 336 N 1.76 3.57 0.23 8.23 0.02 -1.26 -5.14 135.00 142.41 3ih6 s PRO 336 Ca -0.02 1.76 -0.30 0.00 0.02 0.00 0.00 61.00 62.46 3ih6 s PRO 336 Cb -0.17 -2.26 -0.09 0.00 0.02 0.00 0.00 34.50 31.99 3ih6 s PRO 336 CO -0.08 -0.70 1.26 0.20 -0.33 0.00 0.00 177.00 177.35 3ih6 s GLY 337 N -1.46 2.68 0.02 0.52 0.00 -1.02 -4.98 107.32 103.08 3ih6 s GLY 337 Ca 0.67 1.08 0.04 0.00 0.00 0.00 0.00 44.72 46.51 3ih6 s GLY 337 CO 0.33 1.93 -0.13 1.08 0.00 0.00 0.00 173.10 176.31 3ih6 s LEU 338 N -0.61 2.10 0.00 0.66 1.43 -1.26 -0.63 118.68 120.37 3ih6 s LEU 338 Ca 0.53 -0.34 0.03 0.00 -1.03 0.00 0.00 54.13 53.32 3ih6 s LEU 338 Cb -0.36 -0.59 0.03 0.00 0.03 0.00 0.00 46.19 45.30 3ih6 s LEU 338 CO 0.41 0.08 0.24 0.00 0.23 0.00 0.00 176.35 177.30 3ih6 n ALA 339 N 2.32 0.46 -3.64 4.21 0.00 0.68 -4.45 120.51 120.09 3ih6 n ALA 339 Ca -0.16 -1.15 -0.03 0.00 0.00 0.00 0.00 53.44 52.10 3ih6 n ALA 339 Cb 0.55 0.46 -0.04 0.00 0.00 0.00 0.00 19.45 20.41 3ih6 n ALA 339 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3ih6 s PHE 341 N -1.36 -0.08 0.33 0.00 0.08 -0.84 -1.01 117.98 115.10 3ih6 s PHE 341 Ca 0.18 0.14 -0.17 0.00 0.12 0.00 0.00 56.93 57.20 3ih6 s PHE 341 Cb -0.01 0.49 0.07 0.00 -0.57 0.00 0.00 43.02 42.99 3ih6 s PHE 341 CO 0.11 -0.07 0.88 0.20 -0.10 0.00 0.00 175.22 176.25 3ih6 s GLY 342 N -0.92 0.34 0.02 4.36 0.00 0.24 -0.72 107.32 110.63 3ih6 s GLY 342 Ca 0.08 -0.67 0.02 0.00 0.00 0.00 0.00 44.72 44.14 3ih6 s GLY 342 CO -0.08 0.70 -0.06 0.00 0.00 0.00 0.00 173.10 173.66 3ih6 s ALA 343 N -2.08 0.47 -0.21 3.20 0.00 -0.29 -1.07 121.76 121.79 3ih6 s ALA 343 Ca 0.18 -0.52 -0.12 0.00 0.00 0.00 0.00 51.96 51.50 3ih6 s ALA 343 Cb -0.04 -0.01 -0.05 0.00 0.00 0.00 0.00 23.12 23.02 3ih6 s ALA 343 CO 0.10 0.02 0.23 -1.14 0.00 0.00 0.00 175.76 174.97 3ih6 s GLN 344 N -0.96 4.16 0.22 0.00 0.74 0.41 -1.96 119.66 122.27 3ih6 s GLN 344 Ca -0.05 -0.09 0.08 0.00 0.05 0.00 0.00 55.36 55.34 3ih6 s GLN 344 Cb -0.07 -3.49 -0.04 0.00 1.10 0.00 0.00 33.01 30.51 3ih6 s GLN 344 CO 0.00 0.13 0.08 -0.51 -0.55 0.00 0.00 175.29 174.44 3ih6 s LEU 345 N 0.85 3.50 0.31 3.68 1.02 0.96 0.20 118.68 129.20 3ih6 s LEU 345 Ca 0.12 -0.38 -0.03 0.00 0.02 0.00 0.00 54.13 53.85 3ih6 s LEU 345 Cb -0.13 -2.08 -0.04 0.00 0.02 0.00 0.00 46.19 43.96 3ih6 s LEU 345 CO 0.04 0.02 0.56 -1.58 0.02 0.00 0.00 176.35 175.41 3ih6 s GLN 346 N -3.45 3.58 0.30 1.70 0.74 -1.26 -3.47 119.66 117.80 3ih6 s GLN 346 Ca 0.31 -0.09 -0.30 0.00 0.05 0.00 0.00 55.36 55.33 3ih6 s GLN 346 Cb -0.08 -2.64 -0.11 0.00 1.10 0.00 0.00 33.01 31.28 3ih6 s GLN 346 CO 0.22 0.18 1.53 -2.14 -0.55 0.00 0.00 175.29 174.53 3ih6 s PRO 347 N -3.83 4.15 0.00 1.67 0.02 -1.25 -4.75 135.00 131.01 3ih6 s PRO 347 Ca 0.43 2.52 0.00 0.00 0.02 0.00 0.00 61.00 63.97 3ih6 s PRO 347 Cb -0.10 -3.03 0.00 0.00 0.02 0.00 0.00 34.50 31.39 3ih6 s PRO 347 CO 0.33 -0.56 0.00 0.41 -0.33 0.00 0.00 177.00 176.85 3ih6 n GLY 348 N 1.75 0.61 3.09 0.52 0.00 -1.26 -5.07 105.19 104.83 3ih6 n GLY 348 Ca 0.06 -0.09 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 3ih6 n GLY 348 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3ih6 s ASP 350 N -0.91 3.64 0.20 1.61 -1.08 -1.26 -5.21 116.67 113.67 3ih6 s ASP 350 Ca 0.00 -0.95 -0.01 0.00 -0.52 0.00 0.00 52.55 51.07 3ih6 s ASP 350 Cb 0.00 -1.49 0.14 0.00 -1.46 0.00 0.00 42.92 40.12 3ih6 s ASP 350 CO 0.00 -0.08 1.51 1.56 0.52 0.00 0.00 175.17 178.68 3ih6 h GLN 351 N 7.88 0.45 -0.29 4.34 4.20 -1.97 -2.05 115.11 127.67 3ih6 h GLN 351 Ca -0.35 -0.30 -0.16 0.00 0.06 0.00 0.00 58.65 57.90 3ih6 h GLN 351 Cb 1.10 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.92 3ih6 h GLN 351 CO 0.56 0.91 -0.46 -0.44 -0.67 0.00 0.00 178.83 178.73 3ih6 h ASP 352 N 0.34 0.83 0.23 1.46 3.32 -2.01 -0.89 116.42 119.70 3ih6 h ASP 352 Ca -0.00 -0.41 -0.11 0.00 0.02 0.00 0.00 57.03 56.53 3ih6 h ASP 352 Cb 1.12 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.43 3ih6 h ASP 352 CO 0.10 1.16 -0.42 0.50 -1.72 0.00 0.00 179.24 178.87 3ih6 h LYS 353 N 0.61 0.25 0.19 3.56 3.64 -1.97 0.32 116.57 123.17 3ih6 h LYS 353 Ca 0.03 -0.12 -0.01 0.00 -1.27 0.00 0.00 60.65 59.29 3ih6 h LYS 353 Cb 1.03 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.85 3ih6 h LYS 353 CO 0.10 0.63 -0.09 0.00 -2.27 0.00 0.00 179.45 177.82 3ih6 h ALA 354 N 1.36 -0.26 -0.65 5.00 0.00 -1.25 -1.32 119.26 122.14 3ih6 h ALA 354 Ca 0.02 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 3ih6 h ALA 354 Cb 0.83 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 3ih6 h ALA 354 CO 0.07 -0.52 0.29 1.25 0.00 0.00 0.00 179.25 180.34 3ih6 h LEU 355 N -0.52 0.84 0.34 0.00 5.85 -1.00 0.14 115.31 120.97 3ih6 h LEU 355 Ca -0.03 -0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.59 3ih6 h LEU 355 Cb 0.39 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 3ih6 h LEU 355 CO 0.04 0.73 -0.34 -0.61 -0.34 0.00 0.00 178.44 177.92 3ih6 h GLN 356 N 0.92 -0.69 -0.52 1.25 5.75 -0.34 -1.93 115.11 119.55 3ih6 h GLN 356 Ca 0.22 0.05 -0.07 0.00 -0.15 0.00 0.00 58.65 58.70 3ih6 h GLN 356 Cb 0.13 0.16 -0.02 0.00 1.07 0.00 0.00 27.48 28.82 3ih6 h GLN 356 CO -0.03 -0.46 0.04 1.15 -2.65 0.00 0.00 178.83 176.89 3ih6 h THR 357 N -0.71 1.26 -0.39 2.39 2.02 -0.79 -2.06 112.91 114.62 3ih6 h THR 357 Ca -0.02 -1.02 0.07 0.00 0.77 0.00 0.00 66.41 66.21 3ih6 h THR 357 Cb 0.65 0.90 -0.06 0.00 -1.74 0.00 0.00 68.15 67.90 3ih6 h THR 357 CO -0.07 0.36 0.01 0.25 0.37 0.00 0.00 175.52 176.45 3ih6 h LEU 358 N 0.76 -0.13 -0.31 2.58 5.85 -0.67 -1.95 115.31 121.43 3ih6 h LEU 358 Ca 0.15 0.09 -0.20 0.00 0.84 0.00 0.00 57.88 58.76 3ih6 h LEU 358 Cb 0.46 0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.64 3ih6 h LEU 358 CO 0.02 -0.03 -0.77 0.71 -0.34 0.00 0.00 178.44 178.03 3ih6 h THR 359 N 0.12 1.35 -0.93 1.05 1.35 -1.32 -2.68 112.91 111.86 3ih6 h THR 359 Ca 0.19 -2.14 0.08 0.00 -0.55 0.00 0.00 66.41 64.00 3ih6 h THR 359 Cb 0.27 2.12 -0.07 0.00 -1.73 0.00 0.00 68.15 68.74 3ih6 h THR 359 CO -0.31 0.65 0.60 0.00 -0.25 0.00 0.00 175.52 176.21 3ih6 h ALA 360 N 0.81 1.54 -0.21 6.62 0.00 -1.20 -0.74 119.26 126.08 3ih6 h ALA 360 Ca -0.04 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.72 3ih6 h ALA 360 Cb 1.37 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3ih6 h ALA 360 CO 0.14 0.29 -0.39 1.15 0.00 0.00 0.00 179.25 180.44 3ih6 h THR 361 N 1.00 1.32 -0.45 0.00 2.02 -1.25 -2.12 112.91 113.43 3ih6 h THR 361 Ca 0.42 -1.61 -0.06 0.00 0.77 0.00 0.00 66.41 65.92 3ih6 h THR 361 Cb 0.30 1.83 -0.02 0.00 -1.74 0.00 0.00 68.15 68.53 3ih6 h THR 361 CO -0.18 0.50 0.04 -0.07 0.37 0.00 0.00 175.52 176.19 3ih6 h LEU 362 N 0.32 0.75 -1.61 2.58 3.38 -1.26 -3.19 115.31 116.28 3ih6 h LEU 362 Ca 0.01 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.70 3ih6 h LEU 362 Cb 0.99 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.54 3ih6 h LEU 362 CO 0.09 0.84 0.00 -0.62 0.09 0.00 0.00 178.44 178.84 3ih6 n GLU 363 N -4.43 2.06 -0.29 1.13 1.02 -0.30 -4.10 120.64 115.73 3ih6 n GLU 363 Ca 0.00 -1.59 0.08 0.00 -0.02 0.00 0.00 57.16 55.63 3ih6 n GLU 363 Cb 0.27 -1.44 0.16 0.00 -0.02 0.00 0.00 31.44 30.42 3ih6 n GLU 363 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 3ih6 n SER 364 N 0.82 2.06 0.32 1.62 3.41 -0.80 -4.69 113.62 116.36 3ih6 n SER 364 Ca 0.17 -3.37 0.22 0.00 -0.26 0.00 0.00 58.87 55.63 3ih6 n SER 364 Cb 0.44 -0.46 1.12 0.00 -0.26 0.00 0.00 64.21 65.05 3ih6 n SER 364 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3ih6 h LEU 365 N 0.38 0.00 -1.32 1.04 3.38 -1.71 -2.13 115.31 114.95 3ih6 h LEU 365 Ca -0.00 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.03 3ih6 h LEU 365 Cb 1.02 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.72 3ih6 h LEU 365 CO 0.00 0.00 0.50 -1.28 0.09 0.00 0.00 178.44 177.76 3ih6 h SER 366 N 0.00 0.73 -0.34 -0.43 0.87 -1.92 -0.36 113.55 112.10 3ih6 h SER 366 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 3ih6 h SER 366 Cb 0.09 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 61.90 3ih6 h SER 366 CO 0.00 0.47 0.00 -1.54 -0.53 0.00 0.00 176.83 175.23 3ih6 n SER 367 N -4.48 3.29 -3.13 6.23 3.41 -0.81 -4.52 113.62 113.60 3ih6 n SER 367 Ca 0.11 -1.95 -0.17 0.00 -0.26 0.00 0.00 58.87 56.60 3ih6 n SER 367 Cb 0.22 -0.21 -0.02 0.00 -0.26 0.00 0.00 64.21 63.93 3ih6 n SER 367 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 3ih6 n LYS 368 N 1.35 0.99 -1.92 4.33 4.81 -0.22 -5.14 118.16 122.35 3ih6 n LYS 368 Ca 0.17 -3.34 -0.40 0.00 -0.87 0.00 0.00 58.31 53.88 3ih6 n LYS 368 Cb 0.57 -1.65 0.00 0.00 0.02 0.00 0.00 35.03 33.97 3ih6 n LYS 368 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 3ih6 s PRO 369 N -2.45 3.90 0.25 1.64 0.04 -0.75 -4.73 135.00 132.90 3ih6 s PRO 369 Ca 0.38 2.32 -0.28 0.00 0.04 0.00 0.00 61.00 63.47 3ih6 s PRO 369 Cb 0.36 -2.77 -0.15 0.00 0.04 0.00 0.00 34.50 31.98 3ih6 s PRO 369 CO -0.07 -0.61 0.83 1.19 0.04 0.00 0.00 177.00 178.39 3ih6 n PHE 370 N 0.10 0.63 -2.53 0.56 0.99 -1.26 -5.00 117.46 110.95 3ih6 n PHE 370 Ca 0.04 0.80 -0.28 0.00 -0.00 0.00 0.00 57.45 58.01 3ih6 n PHE 370 Cb 0.42 -2.14 0.00 0.00 -1.00 0.00 0.00 39.48 36.76 3ih6 n PHE 370 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.76 175.22 3ih6 s SER 371 N -0.71 6.23 0.17 4.37 1.04 -1.26 -5.00 113.70 118.55 3ih6 s SER 371 Ca 0.61 0.98 -0.14 0.00 0.48 0.00 0.00 55.95 57.88 3ih6 s SER 371 Cb -0.79 -2.25 0.11 0.00 0.10 0.00 0.00 66.02 63.18 3ih6 s SER 371 CO 0.58 -0.64 1.80 -0.61 0.98 0.00 0.00 173.24 175.35 3ih6 h GLN 372 N 0.14 0.52 -0.74 4.02 5.75 -2.00 -2.09 115.11 120.71 3ih6 h GLN 372 Ca -0.46 -0.03 0.04 0.00 -0.15 0.00 0.00 58.65 58.05 3ih6 h GLN 372 Cb 1.20 -0.12 -0.04 0.00 1.07 0.00 0.00 27.48 29.60 3ih6 h GLN 372 CO 0.62 0.34 0.49 1.49 -2.65 0.00 0.00 178.83 179.11 3ih6 h GLU 373 N 0.53 0.84 -0.43 1.69 4.81 -1.99 -0.66 114.58 119.38 3ih6 h GLU 373 Ca 0.21 -0.05 -0.11 0.00 -0.13 0.00 0.00 59.36 59.28 3ih6 h GLU 373 Cb 0.07 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.25 3ih6 h GLU 373 CO -0.12 0.56 -0.17 0.93 -0.73 0.00 0.00 179.01 179.48 3ih6 h GLU 374 N 0.87 0.81 -0.45 1.92 5.08 -1.78 -0.67 114.58 120.35 3ih6 h GLU 374 Ca 0.30 -0.30 -0.13 0.00 -1.00 0.00 0.00 59.36 58.23 3ih6 h GLU 374 Cb 0.10 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 3ih6 h GLU 374 CO -0.09 0.92 -0.21 1.25 -1.00 0.00 0.00 179.01 179.88 3ih6 h LEU 375 N 0.72 0.96 -0.81 1.33 5.85 -0.93 -2.15 115.31 120.27 3ih6 h LEU 375 Ca 0.11 -0.40 -0.10 0.00 0.84 0.00 0.00 57.88 58.33 3ih6 h LEU 375 Cb 0.67 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.42 3ih6 h LEU 375 CO 0.05 1.15 -0.16 -0.33 -0.34 0.00 0.00 178.44 178.81 3ih6 h GLU 376 N 0.77 0.72 -0.20 1.25 4.39 -0.93 0.21 114.58 120.79 3ih6 h GLU 376 Ca 0.10 -0.25 0.01 0.00 0.34 0.00 0.00 59.36 59.55 3ih6 h GLU 376 Cb 0.78 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.37 3ih6 h GLU 376 CO 0.06 0.84 0.12 -0.09 -1.16 0.00 0.00 179.01 178.78 3ih6 h ARG 377 N 0.64 0.25 -0.31 2.33 2.43 -0.88 -0.31 114.38 118.53 3ih6 h ARG 377 Ca 0.10 -0.01 -0.12 0.00 -0.81 0.00 0.00 59.98 59.14 3ih6 h ARG 377 Cb 0.63 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.11 3ih6 h ARG 377 CO 0.04 0.16 -0.29 0.00 -1.51 0.00 0.00 179.97 178.37 3ih6 h ALA 378 N 1.09 0.91 -0.17 2.80 0.00 -1.20 -2.65 119.26 120.04 3ih6 h ALA 378 Ca 0.08 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 3ih6 h ALA 378 Cb -0.01 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3ih6 h ALA 378 CO -0.03 0.62 0.03 -0.09 0.00 0.00 0.00 179.25 179.77 3ih6 h ARG 379 N 0.55 0.29 -0.43 0.00 2.43 -0.46 -1.83 114.38 114.93 3ih6 h ARG 379 Ca 0.07 -0.08 0.03 0.00 -0.81 0.00 0.00 59.98 59.19 3ih6 h ARG 379 Cb 0.78 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.26 3ih6 h ARG 379 CO 0.06 0.46 0.22 1.03 -1.51 0.00 0.00 179.97 180.23 3ih6 h SER 380 N 0.07 0.33 -0.34 -3.80 0.87 -0.97 -1.03 113.55 108.68 3ih6 h SER 380 Ca 0.05 0.02 0.04 0.00 -1.23 0.00 0.00 61.79 60.67 3ih6 h SER 380 Cb 0.31 -0.05 -0.04 0.00 -0.44 0.00 0.00 62.40 62.18 3ih6 h SER 380 CO 0.00 0.24 0.11 0.50 -0.53 0.00 0.00 176.83 177.15 3ih6 h LYS 381 N 0.45 0.24 -0.30 2.24 3.64 -1.43 -1.63 116.57 119.78 3ih6 h LYS 381 Ca 0.18 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.55 3ih6 h LYS 381 Cb 0.07 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 3ih6 h LYS 381 CO -0.12 0.16 0.18 2.35 -2.27 0.00 0.00 179.45 179.75 3ih6 h TRP 382 N 0.24 0.39 -0.19 1.91 7.01 -1.02 -2.26 115.95 122.03 3ih6 h TRP 382 Ca 0.15 -0.00 -0.16 0.00 2.11 0.00 0.00 58.89 60.99 3ih6 h TRP 382 Cb 0.14 -0.13 -0.01 0.00 -2.10 0.00 0.00 29.16 27.07 3ih6 h TRP 382 CO -0.15 0.28 -0.55 -0.07 -2.79 0.00 0.00 178.44 175.16 3ih6 h LEU 383 N 0.38 0.63 -0.52 0.65 3.38 -1.01 -1.93 115.31 116.89 3ih6 h LEU 383 Ca 0.11 -0.34 0.04 0.00 0.09 0.00 0.00 57.88 57.78 3ih6 h LEU 383 Cb 0.01 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.54 3ih6 h LEU 383 CO -0.02 1.05 0.28 0.74 0.09 0.00 0.00 178.44 180.58 3ih6 h THR 384 N 0.43 0.99 -0.58 0.22 2.02 -1.24 -0.67 112.91 114.08 3ih6 h THR 384 Ca 0.01 -0.19 -0.03 0.00 0.77 0.00 0.00 66.41 66.97 3ih6 h THR 384 Cb 1.10 0.39 -0.03 0.00 -1.74 0.00 0.00 68.15 67.88 3ih6 h THR 384 CO 0.10 0.10 0.26 0.00 0.37 0.00 0.00 175.52 176.35 3ih6 h ALA 385 N 1.26 0.75 -0.57 6.16 0.00 -1.22 -2.05 119.26 123.58 3ih6 h ALA 385 Ca 0.22 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 3ih6 h ALA 385 Cb 0.09 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 3ih6 h ALA 385 CO -0.13 0.33 0.36 2.35 0.00 0.00 0.00 179.25 182.16 3ih6 h TRP 386 N 0.79 0.75 -0.10 0.00 7.01 -0.98 -1.43 115.95 121.99 3ih6 h TRP 386 Ca 0.20 0.00 -0.10 0.00 2.11 0.00 0.00 58.89 61.10 3ih6 h TRP 386 Cb 0.15 -0.25 -0.01 0.00 -2.10 0.00 0.00 29.16 26.95 3ih6 h TRP 386 CO 0.00 0.50 -0.40 1.96 -2.79 0.00 0.00 178.44 177.71 3ih6 h GLN 387 N 0.78 0.22 -0.31 2.65 1.08 -1.00 -0.55 115.11 117.97 3ih6 h GLN 387 Ca 0.21 -0.10 -0.17 0.00 -1.45 0.00 0.00 58.65 57.14 3ih6 h GLN 387 Cb -0.04 -0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.38 3ih6 h GLN 387 CO -0.04 0.60 -0.47 1.96 -0.95 0.00 0.00 178.83 179.93 3ih6 h GLN 388 N 0.19 0.82 0.14 1.46 4.20 -0.91 -2.47 115.11 118.54 3ih6 h GLN 388 Ca 0.02 -0.47 -0.01 0.00 0.06 0.00 0.00 58.65 58.25 3ih6 h GLN 388 Cb 0.80 0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.62 3ih6 h GLN 388 CO 0.06 1.10 -0.07 1.15 -0.67 0.00 0.00 178.83 180.41 3ih6 h THR 389 N 0.65 0.92 0.00 -0.54 2.02 -0.93 -3.24 112.91 111.78 3ih6 h THR 389 Ca 0.04 -0.26 -0.02 0.00 0.77 0.00 0.00 66.41 66.94 3ih6 h THR 389 Cb 1.05 1.08 -0.00 0.00 -1.74 0.00 0.00 68.15 68.54 3ih6 h THR 389 CO 0.10 0.06 -0.09 0.22 0.37 0.00 0.00 175.52 176.19 3ih6 h TYR 390 N -0.32 0.00 0.00 3.16 3.20 -1.08 -2.65 116.97 119.28 3ih6 h TYR 390 Ca -0.02 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.85 3ih6 h TYR 390 Cb 0.25 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.52 3ih6 h TYR 390 CO -0.03 0.09 0.00 0.00 -1.64 0.00 0.00 178.16 176.58 3ih6 n ALA 391 N -2.50 2.14 -3.86 1.82 0.00 -0.93 -4.56 120.51 112.61 3ih6 n ALA 391 Ca -0.03 -0.10 -0.34 0.00 0.00 0.00 0.00 53.44 52.98 3ih6 n ALA 391 Cb 0.17 -1.38 -0.15 0.00 0.00 0.00 0.00 19.45 18.09 3ih6 n ALA 391 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3ih6 s ASP 392 N -2.79 4.21 0.26 0.00 -1.08 -1.00 -5.02 116.67 111.25 3ih6 s ASP 392 Ca 0.17 -1.00 -0.02 0.00 -0.52 0.00 0.00 52.55 51.18 3ih6 s ASP 392 Cb 0.16 -1.61 0.53 0.00 -1.46 0.00 0.00 42.92 40.54 3ih6 s ASP 392 CO 0.39 -0.13 1.73 -0.65 0.52 0.00 0.00 175.17 177.02 3ih6 h PRO 393 N 7.94 0.45 -0.21 4.34 0.11 -1.83 -0.96 132.00 141.83 3ih6 h PRO 393 Ca -0.30 -0.03 0.06 0.00 0.11 0.00 0.00 66.00 65.84 3ih6 h PRO 393 Cb 1.09 -0.10 -0.06 0.00 0.11 0.00 0.00 31.00 32.04 3ih6 h PRO 393 CO 0.55 0.30 -0.22 1.49 -0.21 0.00 0.00 178.00 179.91 3ih6 h GLU 394 N 0.46 -0.22 -0.37 1.05 4.81 -1.95 -1.26 114.58 117.09 3ih6 h GLU 394 Ca 0.46 0.02 -0.11 0.00 -0.13 0.00 0.00 59.36 59.59 3ih6 h GLU 394 Cb 0.73 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.15 3ih6 h GLU 394 CO -0.43 -0.15 -0.21 0.87 -0.73 0.00 0.00 179.01 178.36 3ih6 h LYS 395 N -0.23 0.73 -0.73 1.92 1.57 -1.68 -2.55 116.57 115.60 3ih6 h LYS 395 Ca 0.13 -0.28 -0.00 0.00 -1.87 0.00 0.00 60.65 58.63 3ih6 h LYS 395 Cb 0.42 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.66 3ih6 h LYS 395 CO -0.35 0.88 0.45 0.28 -0.57 0.00 0.00 179.45 180.14 3ih6 h VAL 396 N 0.64 1.20 -0.85 0.50 2.07 -1.01 -0.56 116.25 118.24 3ih6 h VAL 396 Ca 0.09 -0.43 -0.01 0.00 0.82 0.00 0.00 66.70 67.18 3ih6 h VAL 396 Cb 0.70 0.18 -0.04 0.00 -1.52 0.00 0.00 31.29 30.60 3ih6 h VAL 396 CO 0.05 0.21 0.50 1.23 0.02 0.00 0.00 177.57 179.58 3ih6 h GLY 397 N 0.99 1.25 0.72 2.17 0.00 -0.89 0.24 103.07 107.55 3ih6 h GLY 397 Ca 0.26 -0.53 -0.04 0.00 0.00 0.00 0.00 47.33 47.02 3ih6 h GLY 397 CO -0.05 0.51 -0.09 -2.08 0.00 0.00 0.00 176.54 174.83 3ih6 h VAL 398 N 1.18 1.33 -0.43 4.60 2.07 -1.19 -1.83 116.25 121.98 3ih6 h VAL 398 Ca 0.30 -1.19 -0.05 0.00 0.82 0.00 0.00 66.70 66.58 3ih6 h VAL 398 Cb -0.03 1.83 -0.02 0.00 -1.52 0.00 0.00 31.29 31.56 3ih6 h VAL 398 CO -0.05 0.34 0.04 0.00 0.02 0.00 0.00 177.57 177.92 3ih6 h ALA 399 N 0.63 1.27 0.04 1.67 0.00 -0.53 -0.81 119.26 121.53 3ih6 h ALA 399 Ca 0.03 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 3ih6 h ALA 399 Cb 0.59 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3ih6 h ALA 399 CO 0.03 0.50 -0.02 -0.07 0.00 0.00 0.00 179.25 179.68 3ih6 h LEU 400 N 0.65 -0.05 -0.91 0.00 3.38 -0.52 -1.50 115.31 116.36 3ih6 h LEU 400 Ca 0.14 -0.29 0.13 0.00 0.09 0.00 0.00 57.88 57.95 3ih6 h LEU 400 Cb 0.34 0.01 -0.09 0.00 0.09 0.00 0.00 40.66 41.01 3ih6 h LEU 400 CO 0.01 0.27 0.53 0.77 0.09 0.00 0.00 178.44 180.10 3ih6 h SER 401 N -0.37 0.72 -0.80 -0.43 4.64 -1.00 0.43 113.55 116.73 3ih6 h SER 401 Ca -0.01 0.07 -0.05 0.00 -0.47 0.00 0.00 61.79 61.34 3ih6 h SER 401 Cb 0.34 -0.06 -0.04 0.00 -0.31 0.00 0.00 62.40 62.33 3ih6 h SER 401 CO 0.01 0.35 0.32 -0.33 -0.87 0.00 0.00 176.83 176.31 3ih6 h GLU 402 N 0.79 1.20 -0.42 4.77 5.08 -1.02 0.11 114.58 125.09 3ih6 h GLU 402 Ca 0.47 -0.22 -0.02 0.00 -1.00 0.00 0.00 59.36 58.59 3ih6 h GLU 402 Cb 0.57 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 3ih6 h GLU 402 CO -0.31 0.97 0.18 0.00 -1.00 0.00 0.00 179.01 178.85 3ih6 h ALA 403 N 1.17 0.54 0.51 3.43 0.00 -0.40 -0.61 119.26 123.89 3ih6 h ALA 403 Ca 0.27 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 3ih6 h ALA 403 Cb 0.22 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3ih6 h ALA 403 CO -0.02 0.12 -0.38 0.82 0.00 0.00 0.00 179.25 179.79 3ih6 h ILE 404 N 0.53 0.22 -1.02 0.00 2.04 -0.67 0.49 117.51 119.11 3ih6 h ILE 404 Ca 0.14 0.00 0.29 0.00 1.00 0.00 0.00 64.86 66.29 3ih6 h ILE 404 Cb 0.16 0.22 -0.13 0.00 -0.74 0.00 0.00 36.82 36.33 3ih6 h ILE 404 CO -0.01 0.00 0.60 0.00 0.00 0.00 0.00 178.15 178.74 3ih6 h ALA 405 N -0.52 1.94 0.00 1.87 0.00 -0.77 0.66 119.26 122.44 3ih6 h ALA 405 Ca -0.06 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3ih6 h ALA 405 Cb 0.74 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.61 3ih6 h ALA 405 CO 0.01 -0.48 0.00 0.77 0.00 0.00 0.00 179.25 179.55 3ih6 h SER 406 N 0.43 0.00 0.00 0.00 0.02 -0.47 -3.47 113.55 110.06 3ih6 h SER 406 Ca 0.69 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.64 3ih6 h SER 406 Cb 1.50 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.04 3ih6 h SER 406 CO -0.51 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 175.79 3ih6 n GLY 407 N 0.18 0.96 3.15 -3.77 0.00 0.23 -4.91 105.19 101.03 3ih6 n GLY 407 Ca 0.01 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.07 3ih6 n GLY 407 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3ih6 s ASP 408 N -0.21 -1.44 0.51 1.61 -1.08 -0.58 -4.97 116.67 110.51 3ih6 s ASP 408 Ca 0.00 0.57 0.19 0.00 -0.52 0.00 0.00 52.55 52.80 3ih6 s ASP 408 Cb 0.00 2.07 1.28 0.00 -1.46 0.00 0.00 42.92 44.81 3ih6 s ASP 408 CO 0.00 -0.27 2.06 4.11 0.52 0.00 0.00 175.17 181.60 3ih6 h TRP 409 N 7.98 0.07 -0.65 -5.34 5.08 -1.86 -2.01 115.95 119.23 3ih6 h TRP 409 Ca -0.14 0.00 0.14 0.00 1.08 0.00 0.00 58.89 59.98 3ih6 h TRP 409 Cb 1.17 -0.02 -0.04 0.00 -3.00 0.00 0.00 29.16 27.27 3ih6 h TRP 409 CO 0.16 0.04 0.45 0.00 -1.28 0.00 0.00 178.44 177.80 3ih6 h ARG 410 N 0.07 0.26 -0.95 0.12 3.08 -1.95 -3.16 114.38 111.84 3ih6 h ARG 410 Ca 0.14 -0.02 0.26 0.00 0.07 0.00 0.00 59.98 60.44 3ih6 h ARG 410 Cb 0.49 -0.06 -0.13 0.00 0.08 0.00 0.00 29.97 30.35 3ih6 h ARG 410 CO -0.01 0.17 0.46 -0.07 -1.07 0.00 0.00 179.97 179.45 3ih6 h LEU 411 N 0.26 0.40 -0.82 3.04 3.38 -1.70 0.46 115.31 120.34 3ih6 h LEU 411 Ca 0.32 0.17 0.19 0.00 0.09 0.00 0.00 57.88 58.64 3ih6 h LEU 411 Cb 0.87 0.13 -0.12 0.00 0.09 0.00 0.00 40.66 41.64 3ih6 h LEU 411 CO -0.07 -0.04 0.29 0.15 0.09 0.00 0.00 178.44 178.85 3ih6 h PHE 412 N 0.39 0.46 0.09 1.13 3.57 -1.78 0.19 116.94 120.99 3ih6 h PHE 412 Ca 0.63 0.04 -0.31 0.00 3.53 0.00 0.00 57.97 61.86 3ih6 h PHE 412 Cb 1.28 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.93 3ih6 h PHE 412 CO -0.09 -0.06 -1.66 0.74 -2.23 0.00 0.00 178.31 175.00 3ih6 h PHE 413 N 0.34 0.34 -0.47 0.41 0.04 -1.41 -3.34 116.94 112.85 3ih6 h PHE 413 Ca 0.49 -0.25 -0.14 0.00 2.80 0.00 0.00 57.97 60.87 3ih6 h PHE 413 Cb 0.88 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 39.01 3ih6 h PHE 413 CO -0.20 1.37 -0.25 1.25 -0.60 0.00 0.00 178.31 179.88 3ih6 h LEU 414 N 0.05 1.03 -0.60 1.54 5.85 -0.43 -1.94 115.31 120.81 3ih6 h LEU 414 Ca -0.29 -0.41 -0.00 0.00 0.84 0.00 0.00 57.88 58.02 3ih6 h LEU 414 Cb 2.01 -0.29 -0.03 0.00 0.37 0.00 0.00 40.66 42.73 3ih6 h LEU 414 CO 0.13 1.22 0.37 1.56 -0.34 0.00 0.00 178.44 181.37 3ih6 h GLN 415 N 0.85 0.82 -0.46 1.25 1.08 -0.81 0.87 115.11 118.70 3ih6 h GLN 415 Ca 0.10 -0.07 0.06 0.00 -1.45 0.00 0.00 58.65 57.29 3ih6 h GLN 415 Cb 0.84 -0.17 -0.06 0.00 -0.05 0.00 0.00 27.48 28.04 3ih6 h GLN 415 CO 0.07 0.58 0.15 -0.09 -0.95 0.00 0.00 178.83 178.59 3ih6 h ARG 416 N 0.81 0.30 -0.52 1.46 1.12 -1.63 -0.43 114.38 115.50 3ih6 h ARG 416 Ca 0.22 -0.02 -0.07 0.00 -1.11 0.00 0.00 59.98 59.00 3ih6 h ARG 416 Cb -0.03 -0.07 -0.02 0.00 -0.01 0.00 0.00 29.97 29.85 3ih6 h ARG 416 CO -0.04 0.20 0.06 -0.44 -3.11 0.00 0.00 179.97 176.64 3ih6 h ASP 417 N 0.31 0.84 -0.40 -3.80 3.32 -0.45 -1.29 116.42 114.95 3ih6 h ASP 417 Ca 0.22 -0.27 -0.03 0.00 0.02 0.00 0.00 57.03 56.96 3ih6 h ASP 417 Cb 0.24 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 3ih6 h ASP 417 CO -0.24 0.91 0.14 0.03 -1.72 0.00 0.00 179.24 178.36 3ih6 h ARG 418 N 0.75 0.68 -0.08 3.56 3.08 -0.61 -2.57 114.38 119.20 3ih6 h ARG 418 Ca 0.15 -0.11 -0.06 0.00 0.07 0.00 0.00 59.98 60.03 3ih6 h ARG 418 Cb 0.44 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.37 3ih6 h ARG 418 CO 0.01 0.60 -0.18 0.28 -1.07 0.00 0.00 179.97 179.61 3ih6 h VAL 419 N 0.67 1.41 0.00 2.04 2.07 -0.69 -1.29 116.25 120.45 3ih6 h VAL 419 Ca 0.16 -1.50 -0.01 0.00 0.82 0.00 0.00 66.70 66.17 3ih6 h VAL 419 Cb 0.20 2.18 -0.00 0.00 -1.52 0.00 0.00 31.29 32.16 3ih6 h VAL 419 CO -0.01 0.43 -0.03 0.08 0.02 0.00 0.00 177.57 178.06 3ih6 h ARG 420 N -0.20 0.00 -0.01 1.57 0.11 -1.10 -2.76 114.38 111.99 3ih6 h ARG 420 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3ih6 h ARG 420 Cb 0.78 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.86 3ih6 h ARG 420 CO 0.04 0.03 -0.37 0.39 0.10 0.00 0.00 179.97 180.16 3ih6 n GLU 421 N -3.32 1.82 -1.57 0.08 1.02 -0.98 -5.01 120.64 112.68 3ih6 n GLU 421 Ca -0.02 -0.66 -0.61 0.00 -0.02 0.00 0.00 57.16 55.85 3ih6 n GLU 421 Cb 0.15 -1.23 -0.09 0.00 -0.02 0.00 0.00 31.44 30.24 3ih6 n GLU 421 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3ih6 n ALA 422 N -0.33 -1.18 -2.57 0.62 0.00 -0.49 -4.97 120.51 111.59 3ih6 n ALA 422 Ca 0.06 0.44 -0.29 0.00 0.00 0.00 0.00 53.44 53.65 3ih6 n ALA 422 Cb 0.30 -1.75 -0.04 0.00 0.00 0.00 0.00 19.45 17.97 3ih6 n ALA 422 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3ih6 s LYS 423 N 2.83 3.63 0.21 0.00 1.02 -1.26 -5.01 119.74 121.17 3ih6 s LYS 423 Ca 0.96 -0.04 -0.08 0.00 0.02 0.00 0.00 55.97 56.83 3ih6 s LYS 423 Cb -1.36 -2.71 0.17 0.00 -0.52 0.00 0.00 37.83 33.40 3ih6 s LYS 423 CO 0.74 0.30 1.82 1.25 -0.92 0.00 0.00 175.35 178.54 3ih6 h LEU 424 N 2.02 1.04 -1.25 3.17 5.85 -1.98 -2.57 115.31 121.60 3ih6 h LEU 424 Ca -0.47 -0.12 0.02 0.00 0.84 0.00 0.00 57.88 58.14 3ih6 h LEU 424 Cb 1.18 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.91 3ih6 h LEU 424 CO 0.68 0.87 0.51 0.44 -0.34 0.00 0.00 178.44 180.60 3ih6 h ASP 425 N 1.14 0.87 0.23 1.25 3.32 -1.97 -0.65 116.42 120.62 3ih6 h ASP 425 Ca 0.28 -0.02 -0.22 0.00 0.02 0.00 0.00 57.03 57.09 3ih6 h ASP 425 Cb 0.09 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.43 3ih6 h ASP 425 CO -0.04 0.62 -0.87 0.44 -1.72 0.00 0.00 179.24 177.67 3ih6 h ASP 426 N 1.03 0.60 -0.31 6.45 3.32 -1.93 -0.63 116.42 124.94 3ih6 h ASP 426 Ca 0.29 -0.44 -0.16 0.00 0.02 0.00 0.00 57.03 56.74 3ih6 h ASP 426 Cb -0.07 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.29 3ih6 h ASP 426 CO -0.07 1.23 -0.42 0.58 -1.72 0.00 0.00 179.24 178.84 3ih6 h VAL 427 N 0.29 1.28 0.29 -1.35 2.07 -1.34 -2.07 116.25 115.42 3ih6 h VAL 427 Ca -0.07 -1.60 -0.00 0.00 0.82 0.00 0.00 66.70 65.85 3ih6 h VAL 427 Cb 1.49 1.56 -0.01 0.00 -1.52 0.00 0.00 31.29 32.81 3ih6 h VAL 427 CO 0.16 0.52 -0.24 -0.61 0.02 0.00 0.00 177.57 177.42 3ih6 h GLN 428 N 0.61 -0.53 -0.68 1.57 5.75 -1.11 -2.03 115.11 118.70 3ih6 h GLN 428 Ca 0.04 0.04 0.06 0.00 -0.15 0.00 0.00 58.65 58.63 3ih6 h GLN 428 Cb 1.01 0.12 -0.06 0.00 1.07 0.00 0.00 27.48 29.63 3ih6 h GLN 428 CO 0.10 -0.35 0.38 -0.09 -2.65 0.00 0.00 178.83 176.22 3ih6 h ARG 429 N -0.54 0.68 0.18 1.69 2.43 -1.13 0.23 114.38 117.92 3ih6 h ARG 429 Ca -0.02 -0.04 0.01 0.00 -0.81 0.00 0.00 59.98 59.12 3ih6 h ARG 429 Cb 0.49 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.86 3ih6 h ARG 429 CO -0.03 0.45 -0.21 0.00 -1.51 0.00 0.00 179.97 178.67 3ih6 h ALA 430 N 1.35 -0.41 -0.37 2.80 0.00 -1.23 -0.02 119.26 121.37 3ih6 h ALA 430 Ca 0.30 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 3ih6 h ALA 430 Cb 0.18 0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 3ih6 h ALA 430 CO -0.18 -0.76 0.19 0.00 0.00 0.00 0.00 179.25 178.49 3ih6 h ALA 431 N 0.30 0.47 -0.84 0.00 0.00 -1.01 -1.98 119.26 116.20 3ih6 h ALA 431 Ca 0.01 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 54.87 3ih6 h ALA 431 Cb 0.43 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.02 3ih6 h ALA 431 CO -0.07 0.02 0.55 0.28 0.00 0.00 0.00 179.25 180.03 3ih6 h VAL 432 N 0.46 1.11 0.00 0.00 2.07 -0.36 0.12 116.25 119.65 3ih6 h VAL 432 Ca 0.13 -0.35 -0.16 0.00 0.82 0.00 0.00 66.70 67.15 3ih6 h VAL 432 Cb 0.09 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 29.85 3ih6 h VAL 432 CO -0.02 0.18 -0.74 0.00 0.02 0.00 0.00 177.57 177.02 3ih6 h ALA 433 N 1.52 0.64 0.00 1.67 0.00 -0.71 -3.35 119.26 119.03 3ih6 h ALA 433 Ca 0.34 -0.67 -0.18 0.00 0.00 0.00 0.00 54.91 54.40 3ih6 h ALA 433 Cb 0.09 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 3ih6 h ALA 433 CO -0.11 0.92 -1.84 0.66 0.00 0.00 0.00 179.25 178.89 3ih6 n TYR 434 N -3.46 0.45 -3.04 0.00 4.02 -0.77 -4.63 117.16 109.74 3ih6 n TYR 434 Ca 0.00 0.15 -0.44 0.00 -0.01 0.00 0.00 57.90 57.60 3ih6 n TYR 434 Cb 0.77 -0.92 0.00 0.00 -0.02 0.00 0.00 39.34 39.18 3ih6 n TYR 434 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 3ih6 n LEU 435 N -2.69 5.73 -4.01 7.72 4.77 0.42 -4.74 117.00 124.20 3ih6 n LEU 435 Ca -0.15 -4.85 -0.17 0.00 -0.03 0.00 0.00 56.01 50.81 3ih6 n LEU 435 Cb 0.86 -1.49 -0.14 0.00 -2.33 0.00 0.00 43.42 40.32 3ih6 n LEU 435 CO 0.44 1.22 -0.42 0.68 -1.33 0.00 0.00 177.39 177.98 3ih6 s VAL 436 N -0.48 0.62 0.27 4.08 -7.23 -1.26 -4.15 120.40 112.24 3ih6 s VAL 436 Ca 0.36 -0.42 -0.03 0.00 -1.81 0.00 0.00 61.98 60.07 3ih6 s VAL 436 Cb -0.03 -0.54 0.30 0.00 0.56 0.00 0.00 36.38 36.68 3ih6 s VAL 436 CO -0.01 0.11 1.63 -0.09 -0.31 0.00 0.00 175.10 176.43 3ih6 h ARG 437 N 5.78 0.12 -0.01 4.82 2.43 -1.93 0.20 114.38 125.79 3ih6 h ARG 437 Ca -0.30 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.86 3ih6 h ARG 437 Cb 1.19 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.71 3ih6 h ARG 437 CO 0.49 0.08 0.16 0.66 -1.51 0.00 0.00 179.97 179.85 3ih6 h SER 438 N 0.13 0.00 -0.15 -3.80 4.64 -1.97 0.40 113.55 112.80 3ih6 h SER 438 Ca 0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.80 3ih6 h SER 438 Cb 0.89 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.98 3ih6 h SER 438 CO -0.69 0.00 0.00 0.59 -0.87 0.00 0.00 176.83 175.86 3ih6 n ASN 439 N -3.05 3.02 -4.81 4.97 3.02 0.05 -5.01 115.26 113.45 3ih6 n ASN 439 Ca -0.02 -1.93 -0.37 0.00 -0.03 0.00 0.00 54.58 52.23 3ih6 n ASN 439 Cb 0.22 -0.08 -0.07 0.00 -0.61 0.00 0.00 39.78 39.25 3ih6 n ASN 439 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 3ih6 s ARG 440 N -1.69 3.89 -0.04 3.52 3.52 0.13 -4.19 118.95 124.09 3ih6 s ARG 440 Ca 0.29 0.06 0.00 0.00 -0.13 0.00 0.00 55.73 55.95 3ih6 s ARG 440 Cb 0.19 -3.30 0.03 0.00 -1.56 0.00 0.00 34.95 30.31 3ih6 s ARG 440 CO 0.28 0.54 -0.01 0.99 -0.81 0.00 0.00 175.30 176.29 3ih6 s THR 441 N -0.42 0.34 0.15 4.11 2.01 -1.26 -5.02 115.64 115.54 3ih6 s THR 441 Ca 0.17 0.03 0.04 0.00 0.31 0.00 0.00 61.69 62.24 3ih6 s THR 441 Cb -0.13 -0.43 -0.04 0.00 0.01 0.00 0.00 72.50 71.91 3ih6 s THR 441 CO 0.05 0.20 0.20 -1.61 -0.69 0.00 0.00 174.62 172.77 3ih6 s GLU 442 N 1.24 3.14 0.27 4.92 2.02 -1.26 -4.35 118.70 124.67 3ih6 s GLU 442 Ca -0.06 -0.74 -0.18 0.00 0.02 0.00 0.00 54.97 54.01 3ih6 s GLU 442 Cb -0.13 -2.79 0.01 0.00 0.10 0.00 0.00 34.13 31.32 3ih6 s GLU 442 CO -0.02 0.50 0.63 0.20 0.02 0.00 0.00 175.26 176.60 3ih6 s GLY 443 N -3.13 0.17 -0.11 -1.39 0.00 -0.03 -4.98 107.32 97.84 3ih6 s GLY 443 Ca 0.32 -0.54 -0.15 0.00 0.00 0.00 0.00 44.72 44.35 3ih6 s GLY 443 CO 0.26 -0.30 0.40 1.09 0.00 0.00 0.00 173.10 174.55 3ih6 s ARG 444 N -3.91 0.56 -0.26 2.90 1.70 -1.26 -0.64 118.95 118.04 3ih6 s ARG 444 Ca 0.15 0.36 -0.04 0.00 -0.47 0.00 0.00 55.73 55.74 3ih6 s ARG 444 Cb -0.04 0.27 0.01 0.00 -0.57 0.00 0.00 34.95 34.62 3ih6 s ARG 444 CO 0.08 -0.10 -0.01 -0.47 -1.08 0.00 0.00 175.30 173.71 3ih6 s TYR 445 N -0.26 3.07 -0.26 5.89 6.14 0.71 -4.99 117.35 127.65 3ih6 s TYR 445 Ca -0.04 -1.25 -0.04 0.00 0.64 0.00 0.00 57.07 56.37 3ih6 s TYR 445 Cb -0.03 -2.13 0.01 0.00 0.42 0.00 0.00 41.96 40.23 3ih6 s TYR 445 CO 0.02 -0.65 -0.00 0.42 0.64 0.00 0.00 175.55 175.98 3ih6 s ILE 446 N 1.41 3.43 0.63 3.14 -1.09 -1.26 -1.47 121.20 125.98 3ih6 s ILE 446 Ca 0.02 -0.74 -0.18 0.00 -2.23 0.00 0.00 60.65 57.52 3ih6 s ILE 446 Cb -0.16 -2.70 -0.04 0.00 -1.58 0.00 0.00 42.46 37.98 3ih6 s ILE 446 CO -0.02 0.22 0.97 -2.65 -1.23 0.00 0.00 174.94 172.22 3ih6 n PRO 447 N 4.78 0.83 -0.52 2.79 -0.02 -1.26 -5.08 135.00 136.51 3ih6 n PRO 447 Ca -0.16 0.33 0.00 0.00 -2.02 0.00 0.00 63.50 61.65 3ih6 n PRO 447 Cb 0.48 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.78 3ih6 n PRO 447 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73