#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 0.25 -0.19 4.04 0.01 -1.26 -2.09 114.94 115.70 3ih6 s ASN 256 Ca 0.00 -0.00 -0.13 0.00 -0.71 0.00 0.00 52.86 52.02 3ih6 s ASN 256 Cb 0.00 -0.14 0.06 0.00 0.41 0.00 0.00 41.25 41.58 3ih6 s ASN 256 CO 0.00 -0.09 0.48 0.00 -1.51 0.00 0.00 177.10 175.98 3ih6 s ALA 257 N 0.87 -1.24 -0.30 0.60 0.00 -0.84 -5.00 121.76 115.86 3ih6 s ALA 257 Ca -0.08 1.63 -0.01 0.00 0.00 0.00 0.00 51.96 53.50 3ih6 s ALA 257 Cb -0.11 -0.97 0.18 0.00 0.00 0.00 0.00 23.12 22.22 3ih6 s ALA 257 CO -0.02 -0.27 0.59 -0.47 0.00 0.00 0.00 175.76 175.58 3ih6 s TYR 258 N 1.08 -1.55 -0.08 0.00 6.04 -1.26 -1.81 117.35 119.77 3ih6 s TYR 258 Ca -0.07 1.69 -0.00 0.00 0.04 0.00 0.00 57.07 58.73 3ih6 s TYR 258 Cb -0.06 0.54 0.02 0.00 -1.04 0.00 0.00 41.96 41.42 3ih6 s TYR 258 CO -0.10 -0.86 -0.05 0.99 -1.54 0.00 0.00 175.55 173.99 3ih6 s THR 259 N 2.84 0.75 0.25 4.34 2.01 -0.53 -4.95 115.64 120.35 3ih6 s THR 259 Ca 0.19 -0.15 0.11 0.00 0.31 0.00 0.00 61.69 62.15 3ih6 s THR 259 Cb -0.15 -0.80 -0.05 0.00 0.01 0.00 0.00 72.50 71.51 3ih6 s THR 259 CO -0.21 0.31 -0.15 0.68 -0.69 0.00 0.00 174.62 174.56 3ih6 s VAL 260 N 1.53 2.76 0.21 3.82 -7.23 -1.26 -1.55 120.40 118.69 3ih6 s VAL 260 Ca -0.00 -2.14 -0.31 0.00 -1.81 0.00 0.00 61.98 57.72 3ih6 s VAL 260 Cb -0.13 -2.43 -0.11 0.00 0.56 0.00 0.00 36.38 34.27 3ih6 s VAL 260 CO -0.05 -0.31 1.63 -0.70 -0.31 0.00 0.00 175.10 175.37 3ih6 s GLU 261 N -3.31 4.16 0.60 4.82 2.12 0.10 -4.90 118.70 122.29 3ih6 s GLU 261 Ca 0.28 2.51 0.29 0.00 0.36 0.00 0.00 54.97 58.41 3ih6 s GLU 261 Cb -0.06 -3.09 1.58 0.00 0.26 0.00 0.00 34.13 32.82 3ih6 s GLU 261 CO 0.15 -0.66 2.00 -1.00 -0.54 0.00 0.00 175.26 175.20 3ih6 h PRO 262 N 6.29 0.00 0.00 4.30 0.13 -1.99 -3.50 132.00 137.23 3ih6 h PRO 262 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 3ih6 h PRO 262 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3ih6 h PRO 262 CO 0.90 0.00 0.00 1.33 -0.23 0.00 0.00 178.00 180.00 3ih6 n VAL 263 N -3.67 0.00 -1.61 1.56 0.24 -1.26 -5.30 118.33 108.29 3ih6 n VAL 263 Ca 0.04 0.00 -0.14 0.00 -2.04 0.00 0.00 64.34 62.20 3ih6 n VAL 263 Cb 0.48 0.00 0.13 0.00 -1.47 0.00 0.00 33.84 32.98 3ih6 n VAL 263 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 3ih6 n THR 278 N 0.00 2.69 -2.14 3.34 -1.04 -1.26 -5.33 114.28 110.54 3ih6 n THR 278 Ca 0.00 -3.22 -0.35 0.00 -2.04 0.00 0.00 64.05 58.45 3ih6 n THR 278 Cb 0.00 -0.66 0.01 0.00 -1.82 0.00 0.00 70.33 67.86 3ih6 n THR 278 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 3ih6 s PRO 279 N -3.43 3.23 -0.04 -2.82 0.04 -1.24 -4.74 135.00 126.00 3ih6 s PRO 279 Ca 0.49 1.55 -0.11 0.00 0.04 0.00 0.00 61.00 62.98 3ih6 s PRO 279 Cb 0.42 -1.99 0.02 0.00 0.04 0.00 0.00 34.50 32.99 3ih6 s PRO 279 CO 0.00 -0.94 0.24 -0.51 0.04 0.00 0.00 177.00 175.84 3ih6 s LEU 280 N -4.05 1.11 0.28 -3.56 1.43 -0.82 -1.03 118.68 112.04 3ih6 s LEU 280 Ca 0.71 0.13 0.10 0.00 -1.03 0.00 0.00 54.13 54.04 3ih6 s LEU 280 Cb -0.23 0.98 -0.05 0.00 0.03 0.00 0.00 46.19 46.91 3ih6 s LEU 280 CO 0.30 -0.31 -0.14 0.68 0.23 0.00 0.00 176.35 177.11 3ih6 s VAL 281 N -0.89 2.13 -0.08 -1.59 -7.23 -0.66 0.59 120.40 112.67 3ih6 s VAL 281 Ca -0.10 -2.27 -0.25 0.00 -1.81 0.00 0.00 61.98 57.55 3ih6 s VAL 281 Cb -0.05 -2.36 0.06 0.00 0.56 0.00 0.00 36.38 34.58 3ih6 s VAL 281 CO 0.02 -0.37 0.57 0.00 -0.31 0.00 0.00 175.10 175.02 3ih6 s ALA 282 N -2.72 -1.47 0.32 1.32 0.00 -0.64 -0.60 121.76 117.97 3ih6 s ALA 282 Ca 0.29 1.17 0.03 0.00 0.00 0.00 0.00 51.96 53.45 3ih6 s ALA 282 Cb -0.01 -0.20 -0.04 0.00 0.00 0.00 0.00 23.12 22.87 3ih6 s ALA 282 CO 0.13 -0.32 0.14 0.00 0.00 0.00 0.00 175.76 175.71 3ih6 s ALA 283 N -0.88 2.15 0.00 0.00 0.00 0.14 -1.61 121.76 121.56 3ih6 s ALA 283 Ca -0.09 -1.70 0.00 0.00 0.00 0.00 0.00 51.96 50.16 3ih6 s ALA 283 Cb -0.02 1.03 0.00 0.00 0.00 0.00 0.00 23.12 24.13 3ih6 s ALA 283 CO 0.07 -0.46 0.00 0.66 0.00 0.00 0.00 175.76 176.03 3ih6 n TYR 285 N -0.64 0.00 -2.08 0.00 4.01 0.16 -1.34 117.16 117.27 3ih6 n TYR 285 Ca -0.00 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.34 3ih6 n TYR 285 Cb 0.65 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.67 3ih6 n TYR 285 CO 0.00 0.00 0.00 -1.01 -0.46 0.00 0.00 176.86 175.39 3ih6 s HIS 286 N -0.64 2.85 0.19 -0.72 3.76 -1.17 0.10 115.29 119.65 3ih6 s HIS 286 Ca 0.00 1.43 -0.07 0.00 -0.15 0.00 0.00 55.06 56.26 3ih6 s HIS 286 Cb 0.00 -3.64 -0.06 0.00 1.11 0.00 0.00 32.58 29.98 3ih6 s HIS 286 CO 0.00 -2.01 0.47 -0.51 -0.85 0.00 0.00 174.74 171.84 3ih6 s LEU 287 N -2.43 4.22 0.98 0.89 1.43 -0.49 -4.79 118.68 118.50 3ih6 s LEU 287 Ca 0.57 0.77 -0.12 0.00 -1.03 0.00 0.00 54.13 54.32 3ih6 s LEU 287 Cb -0.37 -3.50 0.18 0.00 0.03 0.00 0.00 46.19 42.53 3ih6 s LEU 287 CO 0.48 -0.01 1.08 -2.16 0.23 0.00 0.00 176.35 175.97 3ih6 s PRO 288 N -2.72 0.53 0.63 1.29 0.04 -1.26 -4.79 135.00 128.72 3ih6 s PRO 288 Ca 0.44 0.91 -0.19 0.00 0.04 0.00 0.00 61.00 62.20 3ih6 s PRO 288 Cb -0.12 -1.72 -0.02 0.00 0.04 0.00 0.00 34.50 32.69 3ih6 s PRO 288 CO 0.23 -2.77 1.31 0.00 0.04 0.00 0.00 177.00 175.81 3ih6 n ALA 289 N -4.26 1.26 -0.19 8.56 0.00 -1.26 -4.91 120.51 119.71 3ih6 n ALA 289 Ca 0.06 0.03 0.14 0.00 0.00 0.00 0.00 53.44 53.67 3ih6 n ALA 289 Cb 0.55 -2.34 0.47 0.00 0.00 0.00 0.00 19.45 18.13 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 0.72 2.03 -0.01 0.00 0.00 -1.94 -1.28 119.26 118.79 3ih6 h ALA 290 Ca -0.51 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.40 3ih6 h ALA 290 Cb 1.33 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3ih6 h ALA 290 CO 0.54 -0.24 0.00 0.41 0.00 0.00 0.00 179.25 179.96 3ih6 n GLY 291 N -1.50 -0.71 3.76 0.00 0.00 -1.26 -4.73 105.19 100.75 3ih6 n GLY 291 Ca 0.15 -0.26 -0.40 0.00 0.00 0.00 0.00 46.02 45.51 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 -1.94 7.32 0.00 1.61 0.15 -0.48 -4.90 113.70 115.46 3ih6 s SER 292 Ca 0.43 2.19 0.00 0.00 0.70 0.00 0.00 55.95 59.27 3ih6 s SER 292 Cb 0.21 -2.62 0.00 0.00 -1.71 0.00 0.00 66.02 61.89 3ih6 s SER 292 CO 0.34 -0.10 0.34 -0.81 1.20 0.00 0.00 173.24 174.21 3ih6 n PRO 293 N 1.18 0.50 0.00 5.44 -0.04 -1.26 -2.26 135.00 138.57 3ih6 n PRO 293 Ca -0.01 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.56 3ih6 n PRO 293 Cb 0.45 -1.17 -0.15 0.00 -0.04 0.00 0.00 33.50 32.60 3ih6 n PRO 293 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3ih6 n ASP 294 N 0.00 0.13 0.03 3.54 8.00 -1.26 -4.69 116.55 122.30 3ih6 n ASP 294 Ca 0.00 -0.01 -0.13 0.00 0.71 0.00 0.00 54.79 55.37 3ih6 n ASP 294 Cb 0.08 1.79 -0.01 0.00 -0.02 0.00 0.00 41.12 42.96 3ih6 n ASP 294 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 3ih6 h PHE 295 N 0.00 0.71 -0.04 1.24 3.57 -1.69 -2.61 116.94 118.12 3ih6 h PHE 295 Ca 0.00 -0.33 -0.18 0.00 3.53 0.00 0.00 57.97 61.00 3ih6 h PHE 295 Cb 0.98 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.60 3ih6 h PHE 295 CO 0.00 1.12 -0.75 -0.39 -2.23 0.00 0.00 178.31 176.06 3ih6 h VAL 296 N 0.34 1.43 -0.52 1.41 -1.51 -1.84 -2.90 116.25 112.66 3ih6 h VAL 296 Ca -0.05 -2.29 0.11 0.00 -1.23 0.00 0.00 66.70 63.23 3ih6 h VAL 296 Cb 1.39 2.23 -0.10 0.00 -2.13 0.00 0.00 31.29 32.68 3ih6 h VAL 296 CO 0.14 0.67 -0.15 1.23 -1.23 0.00 0.00 177.57 178.24 3ih6 h GLY 297 N 1.61 0.34 1.48 5.19 0.00 -1.79 -0.65 103.07 109.25 3ih6 h GLY 297 Ca -0.03 0.20 -0.08 0.00 0.00 0.00 0.00 47.33 47.42 3ih6 h GLY 297 CO 0.12 -0.21 -0.13 1.41 0.00 0.00 0.00 176.54 177.73 3ih6 h LEU 298 N -0.02 0.60 -0.51 3.11 3.38 -1.48 0.16 115.31 120.55 3ih6 h LEU 298 Ca 0.25 -0.17 0.08 0.00 0.09 0.00 0.00 57.88 58.13 3ih6 h LEU 298 Cb 0.41 -0.16 -0.07 0.00 0.09 0.00 0.00 40.66 40.92 3ih6 h LEU 298 CO -0.55 0.76 0.12 0.44 0.09 0.00 0.00 178.44 179.30 3ih6 h ASP 299 N 0.56 0.04 0.07 -0.43 5.19 -1.05 -0.23 116.42 120.57 3ih6 h ASP 299 Ca 0.10 0.09 -0.12 0.00 -0.62 0.00 0.00 57.03 56.48 3ih6 h ASP 299 Cb 0.55 0.11 0.01 0.00 0.18 0.00 0.00 39.33 40.18 3ih6 h ASP 299 CO 0.03 0.05 -0.50 -0.07 -3.12 0.00 0.00 179.24 175.64 3ih6 h LEU 300 N 0.26 0.32 -0.83 1.55 3.38 -0.76 -3.08 115.31 116.16 3ih6 h LEU 300 Ca 0.26 -0.92 0.16 0.00 0.09 0.00 0.00 57.88 57.47 3ih6 h LEU 300 Cb 0.34 -0.10 -0.16 0.00 0.09 0.00 0.00 40.66 40.83 3ih6 h LEU 300 CO -0.32 1.21 -0.23 0.00 0.09 0.00 0.00 178.44 179.19 3ih6 h ALA 301 N 0.12 0.49 -0.98 1.53 0.00 -0.96 -1.68 119.26 117.77 3ih6 h ALA 301 Ca -0.08 0.31 0.02 0.00 0.00 0.00 0.00 54.91 55.16 3ih6 h ALA 301 Cb 1.34 0.67 -0.05 0.00 0.00 0.00 0.00 17.79 19.75 3ih6 h ALA 301 CO 0.09 -0.43 0.65 0.00 0.00 0.00 0.00 179.25 179.56 3ih6 h ALA 302 N 1.75 1.27 0.27 0.00 0.00 -0.94 -0.91 119.26 120.71 3ih6 h ALA 302 Ca 0.39 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.23 3ih6 h ALA 302 Cb 0.60 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3ih6 h ALA 302 CO -0.85 0.58 -0.19 1.15 0.00 0.00 0.00 179.25 179.94 3ih6 h THR 303 N 1.28 0.60 -0.57 0.00 2.02 -1.31 -1.27 112.91 113.66 3ih6 h THR 303 Ca 0.38 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.67 3ih6 h THR 303 Cb -0.07 0.60 -0.11 0.00 -1.74 0.00 0.00 68.15 66.83 3ih6 h THR 303 CO -0.10 0.00 -0.19 0.40 0.37 0.00 0.00 175.52 176.00 3ih6 h ILE 304 N -0.46 0.35 0.00 3.11 2.04 -0.95 0.19 117.51 121.80 3ih6 h ILE 304 Ca -0.02 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.79 3ih6 h ILE 304 Cb 0.39 0.35 -0.01 0.00 -0.74 0.00 0.00 36.82 36.82 3ih6 h ILE 304 CO 0.01 0.00 -0.24 -0.07 0.00 0.00 0.00 178.15 177.85 3ih6 h LEU 305 N -0.05 0.00 0.00 1.44 3.38 -1.04 -3.01 115.31 116.03 3ih6 h LEU 305 Ca 0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.24 3ih6 h LEU 305 Cb 0.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.22 3ih6 h LEU 305 CO -0.61 0.24 -0.31 0.00 0.09 0.00 0.00 178.44 177.84 3ih6 n ALA 306 N -2.49 1.26 -2.76 1.53 0.00 -0.49 -0.89 120.51 116.66 3ih6 n ALA 306 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.06 3ih6 n ALA 306 Cb 0.29 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.65 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 -0.94 5.56 0.23 0.00 2.15 0.61 -4.41 116.67 119.86 3ih6 s ASP 307 Ca 0.00 0.20 0.00 0.00 0.43 0.00 0.00 52.55 53.18 3ih6 s ASP 307 Cb 0.00 -1.71 0.00 0.00 -0.30 0.00 0.00 42.92 40.91 3ih6 s ASP 307 CO 0.00 0.34 0.00 0.35 -0.17 0.00 0.00 175.17 175.69 3ih6 n THR 308 N 2.39 -0.11 0.39 1.71 -2.24 -1.26 -3.51 114.28 111.64 3ih6 n THR 308 Ca -0.19 0.27 0.04 0.00 -2.27 0.00 0.00 64.05 61.91 3ih6 n THR 308 Cb 0.54 -0.48 0.22 0.00 -2.10 0.00 0.00 70.33 68.50 3ih6 n THR 308 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 3ih6 n PRO 309 N -3.21 0.08 0.00 -0.78 -0.02 -1.26 -2.21 135.00 127.60 3ih6 n PRO 309 Ca -0.02 0.25 0.13 0.00 -2.02 0.00 0.00 63.50 61.84 3ih6 n PRO 309 Cb 0.29 -1.50 0.46 0.00 -0.02 0.00 0.00 33.50 32.73 3ih6 n PRO 309 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 3ih6 n SER 310 N -1.36 1.06 -4.79 2.55 7.64 -1.26 -4.46 113.62 113.00 3ih6 n SER 310 Ca 0.04 -1.02 -0.33 0.00 1.01 0.00 0.00 58.87 58.57 3ih6 n SER 310 Cb 0.08 0.07 0.02 0.00 -1.01 0.00 0.00 64.21 63.38 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 -2.35 5.51 0.16 6.43 1.04 -0.94 -4.88 113.70 118.68 3ih6 s SER 311 Ca 0.29 1.91 -0.15 0.00 0.48 0.00 0.00 55.95 58.49 3ih6 s SER 311 Cb 0.20 -2.54 0.06 0.00 0.10 0.00 0.00 66.02 63.84 3ih6 s SER 311 CO 0.46 -1.36 1.81 0.03 0.98 0.00 0.00 173.24 175.16 3ih6 h ARG 312 N 0.33 0.53 -0.51 4.02 2.47 -1.40 -1.68 114.38 118.14 3ih6 h ARG 312 Ca -0.47 -0.03 -0.07 0.00 -1.26 0.00 0.00 59.98 58.15 3ih6 h ARG 312 Cb 1.23 -0.12 -0.02 0.00 -1.65 0.00 0.00 29.97 29.41 3ih6 h ARG 312 CO 0.56 0.35 0.06 -0.07 0.56 0.00 0.00 179.97 181.43 3ih6 h LEU 313 N 0.55 0.83 0.13 3.04 3.38 -1.31 -2.15 115.31 119.77 3ih6 h LEU 313 Ca 0.18 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 3ih6 h LEU 313 Cb 0.00 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.53 3ih6 h LEU 313 CO -0.08 0.90 -0.06 0.22 0.09 0.00 0.00 178.44 179.51 3ih6 h TYR 314 N 0.74 -0.16 -0.68 1.13 3.20 -1.67 -0.64 116.97 118.89 3ih6 h TYR 314 Ca 0.15 -0.00 0.13 0.00 3.14 0.00 0.00 58.73 62.15 3ih6 h TYR 314 Cb 0.43 0.05 -0.09 0.00 1.54 0.00 0.00 36.73 38.67 3ih6 h TYR 314 CO 0.03 -0.08 0.22 0.45 -1.64 0.00 0.00 178.16 177.14 3ih6 h HIS 315 N -0.19 0.36 0.00 -3.82 3.86 -1.31 0.15 115.15 114.20 3ih6 h HIS 315 Ca -0.02 0.04 -0.13 0.00 -1.16 0.00 0.00 60.37 59.10 3ih6 h HIS 315 Cb 0.15 -0.06 -0.02 0.00 1.06 0.00 0.00 27.41 28.54 3ih6 h HIS 315 CO -0.06 0.02 -0.63 0.00 0.86 0.00 0.00 177.93 178.11 3ih6 h ALA 316 N 1.51 0.66 0.00 2.45 0.00 -1.20 -3.39 119.26 119.29 3ih6 h ALA 316 Ca 0.37 -0.57 -0.16 0.00 0.00 0.00 0.00 54.91 54.54 3ih6 h ALA 316 Cb 0.55 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 3ih6 h ALA 316 CO -0.40 0.79 -1.80 1.28 0.00 0.00 0.00 179.25 179.11 3ih6 n LEU 317 N -3.35 0.00 -0.12 0.00 4.77 -0.26 -4.70 117.00 113.33 3ih6 n LEU 317 Ca 0.01 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 55.78 3ih6 n LEU 317 Cb 0.75 0.22 -0.07 0.00 -2.33 0.00 0.00 43.42 41.99 3ih6 n LEU 317 CO 0.42 0.22 -1.12 0.52 -1.33 0.00 0.00 177.39 176.10 3ih6 n VAL 318 N -2.33 1.51 0.26 4.08 0.31 0.49 -1.07 118.33 121.58 3ih6 n VAL 318 Ca -0.15 -0.16 0.15 0.00 -0.01 0.00 0.00 64.34 64.16 3ih6 n VAL 318 Cb 0.75 -2.07 0.84 0.00 -0.91 0.00 0.00 33.84 32.45 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 -0.99 0.00 -0.05 5.55 0.11 -1.77 -0.45 132.00 134.41 3ih6 h PRO 319 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 3ih6 h PRO 319 Cb 1.35 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.46 3ih6 h PRO 319 CO -0.25 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 177.79 3ih6 n THR 320 N -3.97 0.06 -3.81 -1.15 -2.24 -1.26 -4.93 114.28 96.98 3ih6 n THR 320 Ca -0.01 -0.13 -0.27 0.00 -2.27 0.00 0.00 64.05 61.37 3ih6 n THR 320 Cb 0.16 -0.05 0.04 0.00 -2.10 0.00 0.00 70.33 68.38 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 -0.40 -5.85 -0.00 -0.78 5.02 -0.18 -4.88 118.16 111.08 3ih6 n LYS 321 Ca 0.17 0.65 0.11 0.00 -2.02 0.00 0.00 58.31 57.21 3ih6 n LYS 321 Cb 0.18 -5.51 -0.15 0.00 -0.02 0.00 0.00 35.03 29.53 3ih6 n LYS 321 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3ih6 n LEU 322 N -4.65 0.15 -3.65 -0.35 4.77 -0.23 -4.91 117.00 108.12 3ih6 n LEU 322 Ca -0.03 -0.04 -0.14 0.00 -0.03 0.00 0.00 56.01 55.77 3ih6 n LEU 322 Cb 0.56 -0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.58 3ih6 n LEU 322 CO 0.72 0.02 0.18 0.00 -1.33 0.00 0.00 177.39 176.99 3ih6 s ALA 323 N -3.45 -1.12 -0.53 -1.18 0.00 -0.58 -4.77 121.76 110.12 3ih6 s ALA 323 Ca -0.06 0.51 0.24 0.00 0.00 0.00 0.00 51.96 52.65 3ih6 s ALA 323 Cb 0.14 0.23 0.28 0.00 0.00 0.00 0.00 23.12 23.77 3ih6 s ALA 323 CO 0.90 -0.40 1.29 0.66 0.00 0.00 0.00 175.76 178.21 3ih6 h SER 324 N 3.18 0.00 -4.77 0.00 4.64 -1.05 -3.39 113.55 112.16 3ih6 h SER 324 Ca -0.30 -0.14 0.08 0.00 -0.47 0.00 0.00 61.79 60.96 3ih6 h SER 324 Cb 1.19 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.14 3ih6 h SER 324 CO 0.42 0.07 0.42 -0.83 -0.87 0.00 0.00 176.83 176.03 3ih6 s GLY 325 N -3.87 -0.49 0.11 -0.77 0.00 -1.14 0.03 107.32 101.19 3ih6 s GLY 325 Ca 0.05 0.82 0.03 0.00 0.00 0.00 0.00 44.72 45.62 3ih6 s GLY 325 CO 0.73 0.27 -0.08 -1.34 0.00 0.00 0.00 173.10 172.67 3ih6 s VAL 326 N -3.30 0.88 0.17 1.40 -7.23 -0.59 -0.99 120.40 110.73 3ih6 s VAL 326 Ca 0.04 -1.88 -0.07 0.00 -1.81 0.00 0.00 61.98 58.26 3ih6 s VAL 326 Cb -0.01 -1.63 -0.02 0.00 0.56 0.00 0.00 36.38 35.29 3ih6 s VAL 326 CO -0.09 -0.76 0.25 0.72 -0.31 0.00 0.00 175.10 174.91 3ih6 s PHE 327 N -3.22 0.52 -0.28 2.82 -0.71 -0.63 -1.46 117.98 115.02 3ih6 s PHE 327 Ca 0.11 -0.88 -0.19 0.00 -1.04 0.00 0.00 56.93 54.94 3ih6 s PHE 327 Cb 0.02 -0.14 0.12 0.00 -1.21 0.00 0.00 43.02 41.82 3ih6 s PHE 327 CO -0.02 -0.71 0.92 0.20 -1.34 0.00 0.00 175.22 174.27 3ih6 s GLY 328 N -3.00 -0.19 0.01 1.99 0.00 -0.75 -2.16 107.32 103.21 3ih6 s GLY 328 Ca 0.20 2.83 0.00 0.00 0.00 0.00 0.00 44.72 47.75 3ih6 s GLY 328 CO 0.02 2.33 -0.02 -1.36 0.00 0.00 0.00 173.10 174.07 3ih6 s PHE 329 N 1.09 0.19 0.00 1.90 0.40 -1.26 -1.98 117.98 118.32 3ih6 s PHE 329 Ca -0.06 -0.21 0.00 0.00 -0.60 0.00 0.00 56.93 56.06 3ih6 s PHE 329 Cb -0.04 -0.13 0.00 0.00 0.51 0.00 0.00 43.02 43.36 3ih6 s PHE 329 CO -0.13 -0.07 0.00 0.25 0.70 0.00 0.00 175.22 175.97 3ih6 n THR 330 N 2.48 0.00 -0.15 0.64 -2.24 -0.89 -4.29 114.28 109.84 3ih6 n THR 330 Ca -0.17 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 3ih6 n THR 330 Cb 0.58 -1.15 0.00 0.00 -2.10 0.00 0.00 70.33 67.66 3ih6 n THR 330 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3ih6 n ASP 332 N -2.80 0.00 -0.18 3.42 5.68 -1.26 -4.30 116.55 117.11 3ih6 n ASP 332 Ca 0.00 -0.02 0.13 0.00 -0.50 0.00 0.00 54.79 54.40 3ih6 n ASP 332 Cb 0.00 0.00 0.43 0.00 -1.14 0.00 0.00 41.12 40.41 3ih6 n ASP 332 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3ih6 n GLN 333 N 0.00 0.68 -3.28 0.11 1.13 -1.26 -4.80 117.38 109.96 3ih6 n GLN 333 Ca 0.00 -0.35 -0.30 0.00 -1.94 0.00 0.00 57.00 54.40 3ih6 n GLN 333 Cb 0.00 -1.49 -0.04 0.00 0.11 0.00 0.00 30.24 28.82 3ih6 n GLN 333 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3ih6 s LEU 334 N -2.56 4.06 -0.26 1.08 1.43 -1.26 -5.02 118.68 116.14 3ih6 s LEU 334 Ca 0.24 0.88 -0.01 0.00 -1.03 0.00 0.00 54.13 54.21 3ih6 s LEU 334 Cb 0.19 -3.69 0.08 0.00 0.03 0.00 0.00 46.19 42.80 3ih6 s LEU 334 CO 0.53 -0.19 0.05 -0.62 0.23 0.00 0.00 176.35 176.35 3ih6 s ASP 335 N -2.84 3.70 0.36 2.29 2.15 -1.26 -1.57 116.67 119.51 3ih6 s ASP 335 Ca 0.47 -1.33 -0.21 0.00 0.43 0.00 0.00 52.55 51.91 3ih6 s ASP 335 Cb -0.11 -0.89 -0.10 0.00 -0.30 0.00 0.00 42.92 41.53 3ih6 s ASP 335 CO 0.27 -0.34 0.88 -2.16 -0.17 0.00 0.00 175.17 173.64 3ih6 s PRO 336 N 1.61 4.26 0.37 4.34 0.04 -1.26 -5.15 135.00 139.21 3ih6 s PRO 336 Ca 0.03 1.05 -0.28 0.00 0.04 0.00 0.00 61.00 61.84 3ih6 s PRO 336 Cb -0.18 -2.44 -0.10 0.00 0.04 0.00 0.00 34.50 31.82 3ih6 s PRO 336 CO -0.15 0.12 1.40 0.20 0.04 0.00 0.00 177.00 178.61 3ih6 s GLY 337 N -2.02 2.96 0.09 0.56 0.00 -0.61 -4.96 107.32 103.34 3ih6 s GLY 337 Ca 0.56 1.42 0.07 0.00 0.00 0.00 0.00 44.72 46.77 3ih6 s GLY 337 CO 0.17 2.08 -0.19 1.08 0.00 0.00 0.00 173.10 176.25 3ih6 s LEU 338 N -2.07 2.29 0.00 0.66 1.43 -1.26 -1.39 118.68 118.34 3ih6 s LEU 338 Ca 0.52 -0.66 0.08 0.00 -1.03 0.00 0.00 54.13 53.05 3ih6 s LEU 338 Cb -0.43 -0.77 0.08 0.00 0.03 0.00 0.00 46.19 45.10 3ih6 s LEU 338 CO 0.58 0.02 0.67 0.00 0.23 0.00 0.00 176.35 177.85 3ih6 n ALA 339 N 1.17 1.05 0.00 4.21 0.00 0.11 -4.40 120.51 122.65 3ih6 n ALA 339 Ca -0.20 -1.82 0.00 0.00 0.00 0.00 0.00 53.44 51.42 3ih6 n ALA 339 Cb 0.54 0.51 0.00 0.00 0.00 0.00 0.00 19.45 20.50 3ih6 n ALA 339 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3ih6 n PHE 341 N -2.06 0.00 -3.69 0.00 3.72 -0.45 -0.66 117.46 114.31 3ih6 n PHE 341 Ca 0.13 0.00 0.01 0.00 -0.05 0.00 0.00 57.45 57.54 3ih6 n PHE 341 Cb 0.52 0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 39.06 3ih6 n PHE 341 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 3ih6 s GLY 342 N 0.00 -0.33 0.00 1.37 0.00 -0.92 -0.68 107.32 106.77 3ih6 s GLY 342 Ca 0.00 0.47 0.00 0.00 0.00 0.00 0.00 44.72 45.20 3ih6 s GLY 342 CO 0.00 0.80 -0.02 0.00 0.00 0.00 0.00 173.10 173.89 3ih6 s ALA 343 N -2.51 0.11 -0.14 3.20 0.00 0.23 -1.61 121.76 121.04 3ih6 s ALA 343 Ca 0.16 -0.15 -0.05 0.00 0.00 0.00 0.00 51.96 51.92 3ih6 s ALA 343 Cb 0.03 0.00 -0.04 0.00 0.00 0.00 0.00 23.12 23.11 3ih6 s ALA 343 CO -0.02 -0.00 0.06 1.14 0.00 0.00 0.00 175.76 176.93 3ih6 s GLN 344 N -0.28 3.54 0.26 0.00 -2.07 -0.16 -1.65 119.66 119.30 3ih6 s GLN 344 Ca -0.02 -0.32 0.11 0.00 -1.82 0.00 0.00 55.36 53.31 3ih6 s GLN 344 Cb -0.02 -3.07 -0.05 0.00 -1.09 0.00 0.00 33.01 28.78 3ih6 s GLN 344 CO -0.00 0.52 -0.16 -0.51 -1.32 0.00 0.00 175.29 173.82 3ih6 s LEU 345 N -0.34 2.72 0.59 2.60 1.02 -0.20 -0.40 118.68 124.68 3ih6 s LEU 345 Ca 0.09 -0.89 -0.12 0.00 0.02 0.00 0.00 54.13 53.22 3ih6 s LEU 345 Cb -0.12 -1.28 -0.05 0.00 0.02 0.00 0.00 46.19 44.76 3ih6 s LEU 345 CO 0.02 0.05 1.01 -1.10 0.02 0.00 0.00 176.35 176.34 3ih6 s GLN 346 N -3.38 3.68 0.21 1.70 -1.52 -1.26 -3.65 119.66 115.44 3ih6 s GLN 346 Ca 0.29 0.78 -0.09 0.00 -1.95 0.00 0.00 55.36 54.38 3ih6 s GLN 346 Cb -0.06 -2.11 0.29 0.00 -0.22 0.00 0.00 33.01 30.92 3ih6 s GLN 346 CO 0.15 -0.48 1.76 -1.35 -0.25 0.00 0.00 175.29 175.12 3ih6 h PRO 347 N -0.00 0.46 -4.99 2.91 0.11 -2.00 -3.46 132.00 125.02 3ih6 h PRO 347 Ca -0.45 -0.03 -0.67 0.00 0.11 0.00 0.00 66.00 64.97 3ih6 h PRO 347 Cb 1.19 -0.10 -0.05 0.00 0.11 0.00 0.00 31.00 32.14 3ih6 h PRO 347 CO 0.62 0.30 2.52 0.41 -0.21 0.00 0.00 178.00 181.64 3ih6 n GLY 348 N -1.29 3.23 3.06 -0.55 0.00 -1.26 -5.01 105.19 103.36 3ih6 n GLY 348 Ca 0.09 -1.46 -0.32 0.00 0.00 0.00 0.00 46.02 44.34 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 4.00 4.51 0.13 1.61 -1.08 -1.26 -5.21 116.67 119.36 3ih6 s ASP 350 Ca 0.52 -1.55 -0.15 0.00 -0.52 0.00 0.00 52.55 50.85 3ih6 s ASP 350 Cb 0.08 -1.56 -0.01 0.00 -1.46 0.00 0.00 42.92 39.97 3ih6 s ASP 350 CO 0.02 -0.23 1.61 1.56 0.52 0.00 0.00 175.17 178.65 3ih6 h GLN 351 N 7.74 0.68 -0.41 4.34 1.08 -1.95 -2.50 115.11 124.09 3ih6 h GLN 351 Ca -0.16 -0.18 -0.06 0.00 -1.45 0.00 0.00 58.65 56.79 3ih6 h GLN 351 Cb 1.04 -0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 28.37 3ih6 h GLN 351 CO 0.47 0.72 -0.01 -0.44 -0.95 0.00 0.00 178.83 178.62 3ih6 h ASP 352 N 0.53 0.64 0.10 1.46 5.19 -2.01 -1.73 116.42 120.61 3ih6 h ASP 352 Ca 0.13 -0.14 -0.19 0.00 -0.62 0.00 0.00 57.03 56.21 3ih6 h ASP 352 Cb 0.37 -0.17 -0.00 0.00 0.18 0.00 0.00 39.33 39.71 3ih6 h ASP 352 CO 0.01 0.71 -0.69 0.50 -3.12 0.00 0.00 179.24 176.65 3ih6 h LYS 353 N 0.63 0.54 -0.10 3.56 3.64 -1.97 -1.10 116.57 121.76 3ih6 h LYS 353 Ca 0.13 -0.41 -0.03 0.00 -1.27 0.00 0.00 60.65 59.06 3ih6 h LYS 353 Cb 0.41 0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.31 3ih6 h LYS 353 CO 0.02 1.03 -0.07 0.00 -2.27 0.00 0.00 179.45 178.16 3ih6 h ALA 354 N 0.86 0.15 -0.45 5.00 0.00 -1.29 0.25 119.26 123.78 3ih6 h ALA 354 Ca -0.02 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 54.63 3ih6 h ALA 354 Cb 1.27 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.00 3ih6 h ALA 354 CO 0.13 -0.06 0.28 1.25 0.00 0.00 0.00 179.25 180.86 3ih6 h LEU 355 N -0.15 0.48 -0.92 0.00 5.85 -1.34 0.20 115.31 119.43 3ih6 h LEU 355 Ca 0.02 -0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.65 3ih6 h LEU 355 Cb 0.54 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 3ih6 h LEU 355 CO 0.02 0.35 -0.16 1.56 -0.34 0.00 0.00 178.44 179.87 3ih6 h GLN 356 N 0.58 0.62 -0.45 1.25 1.08 -1.12 -2.40 115.11 114.67 3ih6 h GLN 356 Ca 0.17 -0.21 -0.11 0.00 -1.45 0.00 0.00 58.65 57.06 3ih6 h GLN 356 Cb -0.04 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.33 3ih6 h GLN 356 CO -0.06 0.75 -0.14 1.15 -0.95 0.00 0.00 178.83 179.59 3ih6 h THR 357 N 0.56 1.27 0.41 -0.54 2.02 -0.56 -1.28 112.91 114.79 3ih6 h THR 357 Ca 0.09 -1.27 -0.01 0.00 0.77 0.00 0.00 66.41 66.00 3ih6 h THR 357 Cb 0.59 1.16 -0.03 0.00 -1.74 0.00 0.00 68.15 68.13 3ih6 h THR 357 CO 0.04 0.43 -0.49 0.25 0.37 0.00 0.00 175.52 176.12 3ih6 h LEU 358 N 0.71 -1.38 -0.59 2.58 5.85 -0.53 -0.72 115.31 121.24 3ih6 h LEU 358 Ca 0.11 0.12 -0.04 0.00 0.84 0.00 0.00 57.88 58.91 3ih6 h LEU 358 Cb 0.69 0.47 -0.03 0.00 0.37 0.00 0.00 40.66 42.16 3ih6 h LEU 358 CO 0.05 -0.63 0.21 0.71 -0.34 0.00 0.00 178.44 178.44 3ih6 h THR 359 N -0.93 1.24 -0.49 1.05 1.35 -1.50 -1.56 112.91 112.07 3ih6 h THR 359 Ca -0.04 -0.78 0.08 0.00 -0.55 0.00 0.00 66.41 65.11 3ih6 h THR 359 Cb 0.83 0.63 -0.06 0.00 -1.73 0.00 0.00 68.15 67.82 3ih6 h THR 359 CO -0.11 0.30 0.13 0.00 -0.25 0.00 0.00 175.52 175.58 3ih6 h ALA 360 N 1.07 0.57 -0.14 6.62 0.00 -1.15 0.11 119.26 126.33 3ih6 h ALA 360 Ca 0.19 0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.20 3ih6 h ALA 360 Cb 0.25 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3ih6 h ALA 360 CO -0.01 -0.28 0.08 1.15 0.00 0.00 0.00 179.25 180.19 3ih6 h THR 361 N 0.28 1.01 -0.59 0.00 2.02 -0.56 -1.41 112.91 113.66 3ih6 h THR 361 Ca 0.24 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 67.37 3ih6 h THR 361 Cb 0.30 0.83 -0.03 0.00 -1.74 0.00 0.00 68.15 67.51 3ih6 h THR 361 CO -0.29 0.03 0.37 -0.07 0.37 0.00 0.00 175.52 175.94 3ih6 h LEU 362 N 0.17 0.70 -1.09 2.58 3.38 -0.89 -3.27 115.31 116.88 3ih6 h LEU 362 Ca 0.06 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3ih6 h LEU 362 Cb -0.00 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.57 3ih6 h LEU 362 CO -0.03 0.53 -0.14 -0.62 0.09 0.00 0.00 178.44 178.27 3ih6 n GLU 363 N -4.65 1.55 -1.06 1.13 1.02 -0.01 -3.99 120.64 114.64 3ih6 n GLU 363 Ca 0.04 -1.09 -0.10 0.00 -0.02 0.00 0.00 57.16 55.99 3ih6 n GLU 363 Cb 0.04 -1.48 0.16 0.00 -0.02 0.00 0.00 31.44 30.14 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 0.23 3.30 0.07 1.62 3.41 -0.55 -4.74 113.62 116.95 3ih6 n SER 364 Ca 0.15 -3.80 0.10 0.00 -0.26 0.00 0.00 58.87 55.06 3ih6 n SER 364 Cb 0.43 -0.62 0.41 0.00 -0.26 0.00 0.00 64.21 64.17 3ih6 n SER 364 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3ih6 n LEU 365 N -1.04 0.35 0.24 1.04 4.77 -1.26 -2.02 117.00 119.08 3ih6 n LEU 365 Ca 0.38 0.58 0.09 0.00 -0.03 0.00 0.00 56.01 57.03 3ih6 n LEU 365 Cb 0.99 -0.53 0.59 0.00 -2.33 0.00 0.00 43.42 42.14 3ih6 n LEU 365 CO 0.28 -0.39 0.89 0.77 -1.33 0.00 0.00 177.39 177.61 3ih6 h SER 366 N 0.00 0.00 0.21 -1.43 4.64 -1.93 -2.26 113.55 112.78 3ih6 h SER 366 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3ih6 h SER 366 Cb 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 3ih6 h SER 366 CO 0.00 0.19 -0.45 -1.20 -0.87 0.00 0.00 176.83 174.50 3ih6 n SER 367 N -3.79 1.11 -3.10 4.97 7.64 -0.86 -4.48 113.62 115.12 3ih6 n SER 367 Ca -0.02 -0.89 -0.18 0.00 1.01 0.00 0.00 58.87 58.79 3ih6 n SER 367 Cb 0.29 0.34 -0.03 0.00 -1.01 0.00 0.00 64.21 63.81 3ih6 n SER 367 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3ih6 n LYS 368 N -0.81 0.86 -1.27 1.43 4.01 -0.94 -5.14 118.16 116.29 3ih6 n LYS 368 Ca 0.09 -3.01 -0.34 0.00 -0.51 0.00 0.00 58.31 54.54 3ih6 n LYS 368 Cb 0.37 -1.42 0.11 0.00 -0.51 0.00 0.00 35.03 33.58 3ih6 n LYS 368 CO 0.00 0.00 0.00 -2.14 -1.11 0.00 0.00 177.40 174.15 3ih6 s PRO 369 N -1.37 1.88 0.40 1.97 0.02 -0.89 -4.84 135.00 132.17 3ih6 s PRO 369 Ca 0.35 1.77 -0.25 0.00 0.02 0.00 0.00 61.00 62.89 3ih6 s PRO 369 Cb 0.26 -1.80 -0.11 0.00 0.02 0.00 0.00 34.50 32.87 3ih6 s PRO 369 CO -0.10 -2.04 1.13 1.19 -0.33 0.00 0.00 177.00 176.85 3ih6 n PHE 370 N -3.01 1.63 -3.79 6.54 3.72 -1.26 -5.04 117.46 116.26 3ih6 n PHE 370 Ca 0.14 0.55 -0.27 0.00 -0.05 0.00 0.00 57.45 57.82 3ih6 n PHE 370 Cb 0.50 -2.30 -0.03 0.00 -0.94 0.00 0.00 39.48 36.71 3ih6 n PHE 370 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 3ih6 s SER 371 N -0.61 6.37 0.28 4.37 1.04 -1.26 -5.01 113.70 118.88 3ih6 s SER 371 Ca 0.61 0.31 0.01 0.00 0.48 0.00 0.00 55.95 57.37 3ih6 s SER 371 Cb -0.56 -1.97 0.61 0.00 0.10 0.00 0.00 66.02 64.21 3ih6 s SER 371 CO 0.58 -0.01 1.76 -0.61 0.98 0.00 0.00 173.24 175.93 3ih6 h GLN 372 N 2.02 0.61 -0.31 4.02 5.75 -1.99 -1.25 115.11 123.96 3ih6 h GLN 372 Ca -0.48 -0.04 0.06 0.00 -0.15 0.00 0.00 58.65 58.04 3ih6 h GLN 372 Cb 1.19 -0.14 -0.06 0.00 1.07 0.00 0.00 27.48 29.55 3ih6 h GLN 372 CO 0.68 0.40 -0.08 1.49 -2.65 0.00 0.00 178.83 178.68 3ih6 h GLU 373 N 0.62 0.00 -0.56 1.69 4.81 -1.99 -0.13 114.58 119.02 3ih6 h GLU 373 Ca 0.51 -0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.78 3ih6 h GLU 373 Cb 0.78 -0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.11 3ih6 h GLU 373 CO -0.39 0.00 0.30 0.93 -0.73 0.00 0.00 179.01 179.12 3ih6 h GLU 374 N 0.00 0.56 -0.88 1.92 5.08 -1.67 -1.18 114.58 118.42 3ih6 h GLU 374 Ca 0.15 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.47 3ih6 h GLU 374 Cb 0.23 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.31 3ih6 h GLU 374 CO -0.32 0.37 0.52 1.25 -1.00 0.00 0.00 179.01 179.84 3ih6 h LEU 375 N 0.58 1.06 -0.16 1.33 5.85 -0.89 -2.52 115.31 120.57 3ih6 h LEU 375 Ca 0.24 -0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.86 3ih6 h LEU 375 Cb 0.12 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.88 3ih6 h LEU 375 CO -0.15 0.82 -0.03 -0.08 -0.34 0.00 0.00 178.44 178.66 3ih6 h GLU 376 N 1.22 0.30 -0.66 1.25 4.57 -0.44 0.69 114.58 121.51 3ih6 h GLU 376 Ca 0.32 -0.11 0.07 0.00 -1.18 0.00 0.00 59.36 58.46 3ih6 h GLU 376 Cb -0.04 -0.02 -0.06 0.00 -0.16 0.00 0.00 28.75 28.47 3ih6 h GLU 376 CO -0.06 0.56 0.34 -0.09 -1.18 0.00 0.00 179.01 178.59 3ih6 h ARG 377 N 0.01 0.60 0.00 1.92 2.43 -1.18 -0.58 114.38 117.58 3ih6 h ARG 377 Ca 0.04 -0.04 -0.20 0.00 -0.81 0.00 0.00 59.98 58.98 3ih6 h ARG 377 Cb 0.45 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.83 3ih6 h ARG 377 CO 0.01 0.40 -0.93 0.00 -1.51 0.00 0.00 179.97 177.94 3ih6 h ALA 378 N 1.37 0.45 -0.40 2.80 0.00 -1.24 -2.12 119.26 120.12 3ih6 h ALA 378 Ca 0.31 -0.85 -0.10 0.00 0.00 0.00 0.00 54.91 54.27 3ih6 h ALA 378 Cb 0.25 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3ih6 h ALA 378 CO -0.22 1.17 -0.14 -0.09 0.00 0.00 0.00 179.25 179.97 3ih6 h ARG 379 N 0.00 0.80 -0.33 0.00 2.43 -0.54 -2.20 114.38 114.54 3ih6 h ARG 379 Ca -0.01 -0.33 -0.03 0.00 -0.81 0.00 0.00 59.98 58.81 3ih6 h ARG 379 Cb 1.66 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 31.16 3ih6 h ARG 379 CO 0.12 0.95 0.10 1.03 -1.51 0.00 0.00 179.97 180.66 3ih6 h SER 380 N 0.61 0.49 -0.49 -3.80 0.87 -0.99 -0.90 113.55 109.33 3ih6 h SER 380 Ca 0.09 -0.21 0.09 0.00 -1.23 0.00 0.00 61.79 60.54 3ih6 h SER 380 Cb 0.68 -0.13 -0.08 0.00 -0.44 0.00 0.00 62.40 62.44 3ih6 h SER 380 CO 0.05 0.57 0.01 0.50 -0.53 0.00 0.00 176.83 177.43 3ih6 h LYS 381 N 0.38 0.12 0.01 2.24 3.64 -1.38 0.38 116.57 121.96 3ih6 h LYS 381 Ca 0.11 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.48 3ih6 h LYS 381 Cb 0.26 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 3ih6 h LYS 381 CO -0.00 0.08 -0.00 2.35 -2.27 0.00 0.00 179.45 179.61 3ih6 h TRP 382 N 0.13 -0.01 -0.10 1.91 7.01 -1.07 -2.50 115.95 121.32 3ih6 h TRP 382 Ca 0.25 -0.00 -0.13 0.00 2.11 0.00 0.00 58.89 61.12 3ih6 h TRP 382 Cb 0.37 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 27.42 3ih6 h TRP 382 CO -0.30 0.06 -0.50 -0.07 -2.79 0.00 0.00 178.44 174.84 3ih6 h LEU 383 N -0.07 0.28 0.11 0.65 3.38 -0.97 -0.69 115.31 118.00 3ih6 h LEU 383 Ca -0.00 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 3ih6 h LEU 383 Cb 0.07 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.74 3ih6 h LEU 383 CO 0.00 0.74 -0.05 0.74 0.09 0.00 0.00 178.44 179.95 3ih6 h THR 384 N 0.21 0.91 -0.79 0.22 2.02 -0.88 -0.21 112.91 114.39 3ih6 h THR 384 Ca 0.01 -0.07 -0.03 0.00 0.77 0.00 0.00 66.41 67.09 3ih6 h THR 384 Cb 0.96 0.95 -0.04 0.00 -1.74 0.00 0.00 68.15 68.28 3ih6 h THR 384 CO 0.08 0.02 0.36 0.00 0.37 0.00 0.00 175.52 176.35 3ih6 h ALA 385 N 0.71 1.02 -0.49 6.16 0.00 -1.21 -1.51 119.26 123.95 3ih6 h ALA 385 Ca -0.01 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.73 3ih6 h ALA 385 Cb 0.14 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3ih6 h ALA 385 CO 0.02 0.61 0.32 2.35 0.00 0.00 0.00 179.25 182.55 3ih6 h TRP 386 N 1.13 0.61 -0.89 0.00 7.01 -0.97 -0.35 115.95 122.50 3ih6 h TRP 386 Ca 0.27 0.01 0.02 0.00 2.11 0.00 0.00 58.89 61.30 3ih6 h TRP 386 Cb 0.15 -0.21 -0.05 0.00 -2.10 0.00 0.00 29.16 26.96 3ih6 h TRP 386 CO 0.01 0.38 0.58 1.96 -2.79 0.00 0.00 178.44 178.59 3ih6 h GLN 387 N 0.66 1.14 -0.54 2.65 1.08 -0.85 0.10 115.11 119.35 3ih6 h GLN 387 Ca 0.18 -0.07 -0.05 0.00 -1.45 0.00 0.00 58.65 57.26 3ih6 h GLN 387 Cb -0.07 -0.26 -0.03 0.00 -0.05 0.00 0.00 27.48 27.08 3ih6 h GLN 387 CO -0.04 0.76 0.14 1.96 -0.95 0.00 0.00 178.83 180.70 3ih6 h GLN 388 N 1.18 0.82 -0.14 1.46 4.20 -0.91 -1.81 115.11 119.91 3ih6 h GLN 388 Ca 0.33 -0.16 -0.02 0.00 0.06 0.00 0.00 58.65 58.86 3ih6 h GLN 388 Cb -0.10 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 27.55 3ih6 h GLN 388 CO -0.08 0.73 -0.01 1.15 -0.67 0.00 0.00 178.83 179.95 3ih6 h THR 389 N 0.80 1.27 0.00 -0.54 2.02 -0.47 -3.24 112.91 112.74 3ih6 h THR 389 Ca 0.18 -0.88 -0.02 0.00 0.77 0.00 0.00 66.41 66.46 3ih6 h THR 389 Cb 0.27 1.58 -0.00 0.00 -1.74 0.00 0.00 68.15 68.26 3ih6 h THR 389 CO -0.00 0.26 -0.10 0.22 0.37 0.00 0.00 175.52 176.26 3ih6 h TYR 390 N -0.03 0.00 0.00 3.16 3.20 -0.38 -2.28 116.97 120.63 3ih6 h TYR 390 Ca 0.04 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.91 3ih6 h TYR 390 Cb 0.40 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.67 3ih6 h TYR 390 CO 0.04 0.10 0.00 0.00 -1.64 0.00 0.00 178.16 176.66 3ih6 h ALA 391 N 1.90 1.00 -3.18 1.82 0.00 -1.37 -3.42 119.26 116.01 3ih6 h ALA 391 Ca -0.00 0.00 -0.68 0.00 0.00 0.00 0.00 54.91 54.23 3ih6 h ALA 391 Cb 0.20 0.00 -0.29 0.00 0.00 0.00 0.00 17.79 17.70 3ih6 h ALA 391 CO 0.01 0.00 -0.65 0.34 0.00 0.00 0.00 179.25 178.95 3ih6 s ASP 392 N -5.04 4.99 0.34 0.00 -1.08 -0.86 -4.99 116.67 110.03 3ih6 s ASP 392 Ca 0.07 -0.95 0.12 0.00 -0.52 0.00 0.00 52.55 51.26 3ih6 s ASP 392 Cb 0.09 -1.81 0.94 0.00 -1.46 0.00 0.00 42.92 40.68 3ih6 s ASP 392 CO 0.56 -0.23 1.74 -0.65 0.52 0.00 0.00 175.17 177.11 3ih6 h PRO 393 N 8.15 0.52 -0.25 4.34 0.11 -1.83 0.14 132.00 143.18 3ih6 h PRO 393 Ca -0.28 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.77 3ih6 h PRO 393 Cb 1.10 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.08 3ih6 h PRO 393 CO 0.59 0.35 0.04 1.49 -0.21 0.00 0.00 178.00 180.26 3ih6 h GLU 394 N 0.54 0.41 -0.35 1.05 4.81 -1.94 -1.61 114.58 117.50 3ih6 h GLU 394 Ca 0.64 -0.11 -0.05 0.00 -0.13 0.00 0.00 59.36 59.71 3ih6 h GLU 394 Cb 1.30 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.62 3ih6 h GLU 394 CO -0.44 0.53 0.04 0.87 -0.73 0.00 0.00 179.01 179.28 3ih6 h LYS 395 N 0.22 0.58 -0.19 1.92 1.57 -1.57 -2.72 116.57 116.39 3ih6 h LYS 395 Ca 0.08 -0.17 0.05 0.00 -1.87 0.00 0.00 60.65 58.74 3ih6 h LYS 395 Cb 0.32 -0.06 -0.07 0.00 0.08 0.00 0.00 32.23 32.49 3ih6 h LYS 395 CO 0.00 0.68 -0.39 0.28 -0.57 0.00 0.00 179.45 179.45 3ih6 h VAL 396 N 0.41 0.18 -0.72 0.50 2.07 -0.70 0.11 116.25 118.10 3ih6 h VAL 396 Ca 0.10 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.78 3ih6 h VAL 396 Cb 0.39 0.18 -0.12 0.00 -1.52 0.00 0.00 31.29 30.23 3ih6 h VAL 396 CO 0.01 0.00 0.11 1.23 0.02 0.00 0.00 177.57 178.94 3ih6 h GLY 397 N -0.42 0.93 0.71 2.17 0.00 -1.28 0.32 103.07 105.50 3ih6 h GLY 397 Ca 0.10 0.02 -0.01 0.00 0.00 0.00 0.00 47.33 47.44 3ih6 h GLY 397 CO -0.42 -0.23 -0.01 -2.08 0.00 0.00 0.00 176.54 173.80 3ih6 h VAL 398 N 0.20 1.27 -0.61 4.60 2.07 -1.11 0.83 116.25 123.49 3ih6 h VAL 398 Ca 0.40 -0.85 0.08 0.00 0.82 0.00 0.00 66.70 67.16 3ih6 h VAL 398 Cb 0.70 1.71 -0.07 0.00 -1.52 0.00 0.00 31.29 32.12 3ih6 h VAL 398 CO -0.56 0.23 0.26 0.00 0.02 0.00 0.00 177.57 177.53 3ih6 h ALA 399 N 0.69 0.80 -0.72 1.67 0.00 -0.46 0.14 119.26 121.39 3ih6 h ALA 399 Ca 0.02 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 3ih6 h ALA 399 Cb 0.37 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 3ih6 h ALA 399 CO 0.00 -0.14 0.35 -0.07 0.00 0.00 0.00 179.25 179.39 3ih6 h LEU 400 N 0.47 0.94 -0.76 0.00 3.38 -0.29 0.87 115.31 119.92 3ih6 h LEU 400 Ca 0.30 -0.13 0.01 0.00 0.09 0.00 0.00 57.88 58.15 3ih6 h LEU 400 Cb 0.33 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 3ih6 h LEU 400 CO -0.27 0.80 0.50 -1.28 0.09 0.00 0.00 178.44 178.29 3ih6 h SER 401 N 1.00 0.87 -0.08 -0.43 0.87 -0.11 -1.03 113.55 114.64 3ih6 h SER 401 Ca 0.25 -0.02 -0.13 0.00 -1.23 0.00 0.00 61.79 60.65 3ih6 h SER 401 Cb 0.11 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 61.84 3ih6 h SER 401 CO -0.03 0.63 -0.38 -0.33 -0.53 0.00 0.00 176.83 176.19 3ih6 h GLU 402 N 1.03 0.59 -0.39 2.24 5.08 -0.37 -0.55 114.58 122.21 3ih6 h GLU 402 Ca 0.28 -0.29 0.01 0.00 -1.00 0.00 0.00 59.36 58.36 3ih6 h GLU 402 Cb -0.12 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 3ih6 h GLU 402 CO -0.06 0.88 0.23 0.00 -1.00 0.00 0.00 179.01 179.06 3ih6 h ALA 403 N 1.09 0.49 -0.52 3.43 0.00 -0.58 0.16 119.26 123.32 3ih6 h ALA 403 Ca 0.05 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 3ih6 h ALA 403 Cb 0.88 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 3ih6 h ALA 403 CO 0.08 -0.10 0.13 0.82 0.00 0.00 0.00 179.25 180.17 3ih6 h ILE 404 N 0.47 1.24 0.00 0.00 2.04 -1.06 0.51 117.51 120.71 3ih6 h ILE 404 Ca 0.15 -0.86 -0.02 0.00 1.00 0.00 0.00 64.86 65.14 3ih6 h ILE 404 Cb -0.00 0.80 -0.00 0.00 -0.74 0.00 0.00 36.82 36.87 3ih6 h ILE 404 CO -0.07 0.31 -0.08 0.00 0.00 0.00 0.00 178.15 178.32 3ih6 h ALA 405 N 1.00 1.18 0.00 1.87 0.00 -0.92 -2.72 119.26 119.67 3ih6 h ALA 405 Ca 0.16 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 3ih6 h ALA 405 Cb 0.33 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3ih6 h ALA 405 CO 0.00 0.10 -0.75 0.77 0.00 0.00 0.00 179.25 179.37 3ih6 h SER 406 N 0.00 0.00 0.00 0.00 0.02 -0.14 -3.48 113.55 109.95 3ih6 h SER 406 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3ih6 h SER 406 Cb 0.32 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.86 3ih6 h SER 406 CO 0.01 0.21 0.00 0.61 -1.14 0.00 0.00 176.83 176.52 3ih6 n GLY 407 N 1.21 0.31 3.24 -3.77 0.00 -0.45 -4.78 105.19 100.96 3ih6 n GLY 407 Ca -0.01 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 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 0.00 -0.22 0.49 1.61 2.15 0.04 -4.95 116.67 115.80 3ih6 s ASP 408 Ca 0.00 0.28 0.18 0.00 0.43 0.00 0.00 52.55 53.44 3ih6 s ASP 408 Cb 0.00 1.24 1.21 0.00 -0.30 0.00 0.00 42.92 45.07 3ih6 s ASP 408 CO 0.00 -0.04 2.04 4.11 -0.17 0.00 0.00 175.17 181.11 3ih6 h TRP 409 N 7.24 0.17 0.00 -5.34 5.08 -1.85 -1.51 115.95 119.74 3ih6 h TRP 409 Ca -0.14 0.00 -0.04 0.00 1.08 0.00 0.00 58.89 59.80 3ih6 h TRP 409 Cb 1.13 -0.06 -0.01 0.00 -3.00 0.00 0.00 29.16 27.23 3ih6 h TRP 409 CO 0.21 0.09 -0.17 0.00 -1.28 0.00 0.00 178.44 177.29 3ih6 h ARG 410 N 0.17 0.00 -0.81 0.12 3.08 -1.94 -2.88 114.38 112.12 3ih6 h ARG 410 Ca 0.18 0.00 0.23 0.00 0.07 0.00 0.00 59.98 60.47 3ih6 h ARG 410 Cb 0.51 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.53 3ih6 h ARG 410 CO -0.03 0.17 0.76 -0.07 -1.07 0.00 0.00 179.97 179.73 3ih6 h LEU 411 N 0.00 0.00 -0.12 3.04 3.38 -1.59 -0.43 115.31 119.58 3ih6 h LEU 411 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3ih6 h LEU 411 Cb 0.33 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 3ih6 h LEU 411 CO 0.02 0.00 0.04 0.15 0.09 0.00 0.00 178.44 178.75 3ih6 h PHE 412 N 0.00 0.19 0.01 1.13 3.57 -1.72 -0.72 116.94 119.40 3ih6 h PHE 412 Ca 0.38 -0.02 -0.20 0.00 3.53 0.00 0.00 57.97 61.67 3ih6 h PHE 412 Cb 1.91 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 40.58 3ih6 h PHE 412 CO 0.00 0.29 -0.90 0.74 -2.23 0.00 0.00 178.31 176.22 3ih6 h PHE 413 N 0.03 0.25 -0.03 0.41 0.04 -1.68 -3.33 116.94 112.62 3ih6 h PHE 413 Ca 0.04 -0.14 -0.18 0.00 2.80 0.00 0.00 57.97 60.49 3ih6 h PHE 413 Cb 0.19 -0.03 -0.01 0.00 2.20 0.00 0.00 35.95 38.30 3ih6 h PHE 413 CO -0.01 0.97 -0.77 1.25 -0.60 0.00 0.00 178.31 179.15 3ih6 h LEU 414 N 0.08 0.32 -0.63 1.54 5.85 -0.95 -2.02 115.31 119.50 3ih6 h LEU 414 Ca -0.04 -0.22 -0.12 0.00 0.84 0.00 0.00 57.88 58.33 3ih6 h LEU 414 Cb 1.54 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.46 3ih6 h LEU 414 CO 0.13 0.97 -0.23 1.56 -0.34 0.00 0.00 178.44 180.54 3ih6 h GLN 415 N 0.17 0.83 -0.24 1.25 4.20 -1.27 -1.41 115.11 118.64 3ih6 h GLN 415 Ca -0.03 -0.34 0.06 0.00 0.06 0.00 0.00 58.65 58.39 3ih6 h GLN 415 Cb 1.36 -0.03 -0.06 0.00 0.30 0.00 0.00 27.48 29.05 3ih6 h GLN 415 CO 0.12 0.98 -0.12 -0.09 -0.67 0.00 0.00 178.83 179.05 3ih6 h ARG 416 N 0.72 -0.09 -0.40 1.46 2.43 -1.63 0.30 114.38 117.17 3ih6 h ARG 416 Ca 0.10 0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.31 3ih6 h ARG 416 Cb 0.76 0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 30.29 3ih6 h ARG 416 CO 0.06 -0.06 0.16 -0.44 -1.51 0.00 0.00 179.97 178.18 3ih6 h ASP 417 N -0.09 0.20 -0.44 -3.80 3.32 -1.14 0.58 116.42 115.05 3ih6 h ASP 417 Ca 0.13 0.04 0.01 0.00 0.02 0.00 0.00 57.03 57.22 3ih6 h ASP 417 Cb 0.29 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.82 3ih6 h ASP 417 CO -0.30 0.15 0.28 0.03 -1.72 0.00 0.00 179.24 177.69 3ih6 h ARG 418 N 0.34 0.56 -0.57 3.56 3.08 -1.00 -0.31 114.38 120.04 3ih6 h ARG 418 Ca 0.18 -0.03 0.03 0.00 0.07 0.00 0.00 59.98 60.23 3ih6 h ARG 418 Cb 0.13 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 30.02 3ih6 h ARG 418 CO -0.16 0.37 0.33 0.28 -1.07 0.00 0.00 179.97 179.72 3ih6 h VAL 419 N 0.58 1.03 -0.97 2.04 2.07 -0.69 0.19 116.25 120.49 3ih6 h VAL 419 Ca 0.16 -0.22 0.06 0.00 0.82 0.00 0.00 66.70 67.53 3ih6 h VAL 419 Cb -0.05 0.33 -0.06 0.00 -1.52 0.00 0.00 31.29 29.99 3ih6 h VAL 419 CO -0.05 0.12 0.63 0.03 0.02 0.00 0.00 177.57 178.32 3ih6 h ARG 420 N 0.64 1.10 -0.12 1.57 3.08 -0.55 -2.72 114.38 117.37 3ih6 h ARG 420 Ca 0.24 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.22 3ih6 h ARG 420 Cb 0.07 -0.25 0.00 0.00 0.08 0.00 0.00 29.97 29.87 3ih6 h ARG 420 CO -0.12 0.72 0.00 0.39 -1.07 0.00 0.00 179.97 179.89 3ih6 n GLU 421 N -4.49 2.06 -1.90 0.04 1.02 -0.16 -4.98 120.64 112.23 3ih6 n GLU 421 Ca 0.15 -1.57 -0.42 0.00 -0.02 0.00 0.00 57.16 55.30 3ih6 n GLU 421 Cb 0.18 -1.46 -0.03 0.00 -0.02 0.00 0.00 31.44 30.11 3ih6 n GLU 421 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3ih6 s ALA 422 N -1.86 3.74 0.11 0.62 0.00 0.59 -4.98 121.76 119.97 3ih6 s ALA 422 Ca 0.34 1.31 -0.05 0.00 0.00 0.00 0.00 51.96 53.55 3ih6 s ALA 422 Cb 0.20 -3.68 -0.05 0.00 0.00 0.00 0.00 23.12 19.59 3ih6 s ALA 422 CO 0.31 -0.99 0.36 0.15 0.00 0.00 0.00 175.76 175.58 3ih6 s LYS 423 N 2.05 3.62 0.21 0.00 1.02 -1.26 -5.01 119.74 120.37 3ih6 s LYS 423 Ca 0.73 -0.07 -0.13 0.00 0.02 0.00 0.00 55.97 56.52 3ih6 s LYS 423 Cb -0.42 -2.91 0.25 0.00 -0.52 0.00 0.00 37.83 34.22 3ih6 s LYS 423 CO 0.32 0.51 1.63 1.25 -0.92 0.00 0.00 175.35 178.14 3ih6 h LEU 424 N 3.13 -0.57 -1.43 3.17 5.85 -1.98 -1.48 115.31 122.00 3ih6 h LEU 424 Ca -0.47 0.19 0.08 0.00 0.84 0.00 0.00 57.88 58.52 3ih6 h LEU 424 Cb 1.17 0.39 -0.05 0.00 0.37 0.00 0.00 40.66 42.54 3ih6 h LEU 424 CO 0.71 -0.20 0.47 0.44 -0.34 0.00 0.00 178.44 179.51 3ih6 h ASP 425 N 0.01 0.59 -0.13 1.25 5.19 -1.97 0.37 116.42 121.73 3ih6 h ASP 425 Ca 0.31 0.01 -0.07 0.00 -0.62 0.00 0.00 57.03 56.66 3ih6 h ASP 425 Cb 0.48 -0.12 -0.00 0.00 0.18 0.00 0.00 39.33 39.87 3ih6 h ASP 425 CO -0.65 0.37 -0.18 0.44 -3.12 0.00 0.00 179.24 176.10 3ih6 h ASP 426 N 0.67 0.38 -0.11 6.45 3.32 -1.68 -1.40 116.42 124.05 3ih6 h ASP 426 Ca 0.32 -0.52 0.02 0.00 0.02 0.00 0.00 57.03 56.87 3ih6 h ASP 426 Cb 0.37 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.78 3ih6 h ASP 426 CO -0.11 0.83 -0.04 0.58 -1.72 0.00 0.00 179.24 178.78 3ih6 h VAL 427 N -0.05 0.87 -0.67 -1.35 2.07 -1.16 -1.18 116.25 114.78 3ih6 h VAL 427 Ca 0.01 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.66 3ih6 h VAL 427 Cb 0.74 0.87 -0.13 0.00 -1.52 0.00 0.00 31.29 31.25 3ih6 h VAL 427 CO 0.04 0.00 -0.28 -0.61 0.02 0.00 0.00 177.57 176.75 3ih6 h GLN 428 N -0.02 -0.09 -0.45 1.57 5.75 -0.91 -2.32 115.11 118.65 3ih6 h GLN 428 Ca 0.06 0.01 -0.07 0.00 -0.15 0.00 0.00 58.65 58.49 3ih6 h GLN 428 Cb 0.10 0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.65 3ih6 h GLN 428 CO -0.12 -0.06 0.02 -0.09 -2.65 0.00 0.00 178.83 175.93 3ih6 h ARG 429 N -0.09 0.78 -0.43 1.69 9.65 -0.81 -1.82 114.38 123.34 3ih6 h ARG 429 Ca 0.29 -0.24 -0.14 0.00 -1.10 0.00 0.00 59.98 58.78 3ih6 h ARG 429 Cb 0.55 -0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 29.04 3ih6 h ARG 429 CO -0.72 0.83 -0.29 0.00 2.80 0.00 0.00 179.97 182.58 3ih6 h ALA 430 N 0.92 0.66 0.48 2.80 0.00 -1.10 -1.05 119.26 121.96 3ih6 h ALA 430 Ca 0.13 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 3ih6 h ALA 430 Cb 0.47 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3ih6 h ALA 430 CO 0.02 0.67 -0.23 0.00 0.00 0.00 0.00 179.25 179.71 3ih6 h ALA 431 N 0.85 -0.64 -0.89 0.00 0.00 -1.26 -2.73 119.26 114.59 3ih6 h ALA 431 Ca 0.09 -0.18 0.15 0.00 0.00 0.00 0.00 54.91 54.97 3ih6 h ALA 431 Cb 0.88 0.25 -0.10 0.00 0.00 0.00 0.00 17.79 18.82 3ih6 h ALA 431 CO 0.08 -0.76 0.49 0.28 0.00 0.00 0.00 179.25 179.34 3ih6 h VAL 432 N -0.84 0.73 -0.24 0.00 2.07 -1.37 0.21 116.25 116.82 3ih6 h VAL 432 Ca -0.07 -0.23 -0.11 0.00 0.82 0.00 0.00 66.70 67.11 3ih6 h VAL 432 Cb 0.57 -0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 3ih6 h VAL 432 CO 0.11 0.12 -0.32 0.00 0.02 0.00 0.00 177.57 177.50 3ih6 h ALA 433 N 1.58 1.01 0.00 1.67 0.00 -1.11 -3.34 119.26 119.07 3ih6 h ALA 433 Ca 0.49 -0.39 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 3ih6 h ALA 433 Cb 0.70 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 3ih6 h ALA 433 CO -0.36 0.60 -1.89 0.66 0.00 0.00 0.00 179.25 178.25 3ih6 n TYR 434 N -4.08 0.00 -2.54 0.00 4.02 -0.96 -4.63 117.16 108.97 3ih6 n TYR 434 Ca -0.01 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.46 3ih6 n TYR 434 Cb 0.45 -0.53 0.01 0.00 -0.02 0.00 0.00 39.34 39.25 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 -2.27 6.85 -4.27 7.72 4.77 0.68 -4.75 117.00 125.73 3ih6 n LEU 435 Ca -0.12 -4.94 -0.15 0.00 -0.03 0.00 0.00 56.01 50.77 3ih6 n LEU 435 Cb 0.66 -1.36 -0.10 0.00 -2.33 0.00 0.00 43.42 40.28 3ih6 n LEU 435 CO 0.35 1.64 -0.42 0.68 -1.33 0.00 0.00 177.39 178.31 3ih6 s VAL 436 N -1.34 1.29 0.47 4.08 -7.23 -1.26 -4.20 120.40 112.20 3ih6 s VAL 436 Ca 0.39 -2.05 0.13 0.00 -1.81 0.00 0.00 61.98 58.63 3ih6 s VAL 436 Cb 0.10 -1.84 0.25 0.00 0.56 0.00 0.00 36.38 35.45 3ih6 s VAL 436 CO 0.02 -0.68 2.09 -0.09 -0.31 0.00 0.00 175.10 176.12 3ih6 h ARG 437 N 2.83 0.18 0.00 4.82 2.43 -1.95 0.13 114.38 122.81 3ih6 h ARG 437 Ca -0.37 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.78 3ih6 h ARG 437 Cb 1.20 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.71 3ih6 h ARG 437 CO 0.62 0.16 0.00 -1.13 -1.51 0.00 0.00 179.97 178.10 3ih6 n SER 438 N -4.47 0.05 -0.42 -3.80 3.41 -1.26 -2.92 113.62 104.20 3ih6 n SER 438 Ca -0.01 0.51 0.04 0.00 -0.26 0.00 0.00 58.87 59.15 3ih6 n SER 438 Cb 0.11 -0.52 0.09 0.00 -0.26 0.00 0.00 64.21 63.63 3ih6 n SER 438 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3ih6 n ASN 439 N -1.55 2.45 -4.34 4.04 5.15 0.43 -5.05 115.26 116.39 3ih6 n ASN 439 Ca 0.03 -1.87 -0.26 0.00 -0.60 0.00 0.00 54.58 51.89 3ih6 n ASN 439 Cb 0.17 -0.13 -0.13 0.00 -0.53 0.00 0.00 39.78 39.17 3ih6 n ASN 439 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3ih6 s ARG 440 N -0.93 1.28 0.07 1.20 1.70 -1.15 -3.05 118.95 118.07 3ih6 s ARG 440 Ca 0.15 -1.28 0.07 0.00 -0.47 0.00 0.00 55.73 54.20 3ih6 s ARG 440 Cb 0.08 -1.64 -0.03 0.00 -0.57 0.00 0.00 34.95 32.79 3ih6 s ARG 440 CO 0.11 0.38 -0.19 -0.08 -1.08 0.00 0.00 175.30 174.43 3ih6 s THR 441 N -1.20 1.57 0.27 4.99 -1.32 -1.26 -5.01 115.64 113.68 3ih6 s THR 441 Ca 0.11 -1.31 0.08 0.00 -1.21 0.00 0.00 61.69 59.36 3ih6 s THR 441 Cb -0.10 -1.40 -0.04 0.00 -1.51 0.00 0.00 72.50 69.45 3ih6 s THR 441 CO 0.05 0.05 0.16 -1.61 -2.21 0.00 0.00 174.62 171.07 3ih6 s GLU 442 N -1.48 2.72 -0.01 7.08 2.02 -1.26 -4.24 118.70 123.53 3ih6 s GLU 442 Ca 0.06 -1.20 -0.29 0.00 0.02 0.00 0.00 54.97 53.56 3ih6 s GLU 442 Cb -0.09 -2.44 0.08 0.00 0.10 0.00 0.00 34.13 31.78 3ih6 s GLU 442 CO 0.03 0.33 0.74 0.20 0.02 0.00 0.00 175.26 176.57 3ih6 s GLY 443 N -3.83 -0.52 0.03 -1.39 0.00 -0.63 -4.97 107.32 96.00 3ih6 s GLY 443 Ca 0.34 1.21 0.04 0.00 0.00 0.00 0.00 44.72 46.31 3ih6 s GLY 443 CO 0.24 0.71 -0.12 0.50 0.00 0.00 0.00 173.10 174.43 3ih6 s ARG 444 N -2.01 0.79 -0.25 2.90 0.52 -1.26 -1.62 118.95 118.01 3ih6 s ARG 444 Ca -0.05 -0.65 -0.01 0.00 -0.52 0.00 0.00 55.73 54.50 3ih6 s ARG 444 Cb -0.00 -0.75 0.04 0.00 0.52 0.00 0.00 34.95 34.75 3ih6 s ARG 444 CO 0.01 0.18 -0.07 -0.47 0.02 0.00 0.00 175.30 174.97 3ih6 s TYR 445 N -0.80 3.11 -0.40 -0.53 5.04 0.20 -4.99 117.35 118.98 3ih6 s TYR 445 Ca -0.00 -1.76 -0.03 0.00 -2.44 0.00 0.00 57.07 52.84 3ih6 s TYR 445 Cb -0.07 -2.03 0.11 0.00 0.35 0.00 0.00 41.96 40.31 3ih6 s TYR 445 CO 0.01 -0.78 0.20 0.42 -1.34 0.00 0.00 175.55 174.06 3ih6 s ILE 446 N 1.27 3.33 0.62 3.14 1.01 -1.26 -1.93 121.20 127.37 3ih6 s ILE 446 Ca -0.02 -1.99 -0.18 0.00 0.00 0.00 0.00 60.65 58.46 3ih6 s ILE 446 Cb -0.17 -3.25 -0.05 0.00 0.01 0.00 0.00 42.46 39.00 3ih6 s ILE 446 CO -0.05 -0.66 0.89 -2.65 0.00 0.00 0.00 174.94 172.48 3ih6 n PRO 447 N 4.62 0.78 -2.78 2.79 -0.02 -1.26 -4.90 135.00 134.22 3ih6 n PRO 447 Ca -0.03 0.31 -0.43 0.00 -2.02 0.00 0.00 63.50 61.32 3ih6 n PRO 447 Cb 0.41 -2.10 -0.01 0.00 -0.02 0.00 0.00 33.50 31.79 3ih6 n PRO 447 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3ih6 s THR 448 N -1.58 4.56 -2.00 3.45 2.01 -1.26 -5.09 115.64 115.73 3ih6 s THR 448 Ca 0.75 -2.06 0.22 0.00 0.31 0.00 0.00 61.69 60.92 3ih6 s THR 448 Cb -0.41 -5.01 0.63 0.00 0.01 0.00 0.00 72.50 67.73 3ih6 s THR 448 CO 0.48 -1.78 1.70 -0.62 -0.69 0.00 0.00 174.62 173.71