#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 2.89 -0.07 6.43 -0.87 -1.26 -2.08 114.94 119.97 3ih6 s ASN 256 Ca 0.00 -0.70 -0.04 0.00 -1.57 0.00 0.00 52.86 50.55 3ih6 s ASN 256 Cb 0.00 -0.91 0.03 0.00 -0.02 0.00 0.00 41.25 40.36 3ih6 s ASN 256 CO 0.00 -0.19 0.18 0.00 -2.57 0.00 0.00 177.10 174.51 3ih6 s ALA 257 N 1.63 -0.38 -0.23 0.60 0.00 -0.73 -5.00 121.76 117.67 3ih6 s ALA 257 Ca 0.00 0.71 -0.04 0.00 0.00 0.00 0.00 51.96 52.63 3ih6 s ALA 257 Cb -0.16 -0.46 0.12 0.00 0.00 0.00 0.00 23.12 22.63 3ih6 s ALA 257 CO -0.08 -0.15 0.40 -0.47 0.00 0.00 0.00 175.76 175.46 3ih6 s TYR 258 N 0.92 -0.83 -0.06 0.00 6.14 -1.26 -1.64 117.35 120.62 3ih6 s TYR 258 Ca -0.07 1.09 0.02 0.00 0.64 0.00 0.00 57.07 58.75 3ih6 s TYR 258 Cb -0.09 0.13 0.02 0.00 0.42 0.00 0.00 41.96 42.44 3ih6 s TYR 258 CO -0.05 -0.64 -0.10 0.99 0.64 0.00 0.00 175.55 176.39 3ih6 s THR 259 N 2.58 0.96 0.44 4.34 2.01 -0.06 -4.91 115.64 121.00 3ih6 s THR 259 Ca 0.08 -0.37 0.04 0.00 0.31 0.00 0.00 61.69 61.76 3ih6 s THR 259 Cb -0.14 -0.90 -0.05 0.00 0.01 0.00 0.00 72.50 71.41 3ih6 s THR 259 CO -0.15 0.32 0.02 0.68 -0.69 0.00 0.00 174.62 174.80 3ih6 s VAL 260 N 0.80 1.53 0.17 3.82 -7.23 -1.26 -0.37 120.40 117.86 3ih6 s VAL 260 Ca -0.12 -2.00 -0.23 0.00 -1.81 0.00 0.00 61.98 57.81 3ih6 s VAL 260 Cb -0.15 -2.63 -0.08 0.00 0.56 0.00 0.00 36.38 34.08 3ih6 s VAL 260 CO 0.02 0.00 0.74 -1.83 -0.31 0.00 0.00 175.10 173.72 3ih6 s GLU 261 N -3.79 4.45 -0.93 4.82 -1.05 -0.37 -4.95 118.70 116.87 3ih6 s GLU 261 Ca 0.23 1.04 -0.23 0.00 -0.15 0.00 0.00 54.97 55.86 3ih6 s GLU 261 Cb 0.06 -3.17 -0.15 0.00 -0.44 0.00 0.00 34.13 30.43 3ih6 s GLU 261 CO 0.12 0.54 1.92 -0.35 0.95 0.00 0.00 175.26 178.44 3ih6 n PRO 262 N 1.41 1.33 0.00 -4.83 -0.04 -1.26 -5.05 135.00 126.55 3ih6 n PRO 262 Ca -0.06 -2.07 0.00 0.00 -0.04 0.00 0.00 63.50 61.33 3ih6 n PRO 262 Cb 0.49 -3.36 0.00 0.00 -0.04 0.00 0.00 33.50 30.60 3ih6 n PRO 262 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 3ih6 n VAL 263 N 7.19 0.00 -0.08 0.52 3.14 -1.26 -5.30 118.33 122.54 3ih6 n VAL 263 Ca 0.46 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.84 3ih6 n VAL 263 Cb 0.44 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.22 3ih6 n VAL 263 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3ih6 n GLY 277 N -0.98 -3.24 3.57 7.55 0.00 -1.26 -5.19 105.19 105.64 3ih6 n GLY 277 Ca 0.00 -1.27 -0.39 0.00 0.00 0.00 0.00 46.02 44.36 3ih6 n GLY 277 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ih6 s THR 278 N -0.55 5.23 0.36 2.61 -4.23 -1.26 -4.54 115.64 113.26 3ih6 s THR 278 Ca 0.00 0.21 -0.27 0.00 -1.18 0.00 0.00 61.69 60.45 3ih6 s THR 278 Cb 0.00 -3.68 -0.09 0.00 1.34 0.00 0.00 72.50 70.07 3ih6 s THR 278 CO 0.00 0.10 1.23 -2.84 -0.54 0.00 0.00 174.62 172.58 3ih6 s PRO 279 N 1.92 4.22 0.06 3.99 0.02 -1.26 -4.67 135.00 139.28 3ih6 s PRO 279 Ca 0.11 2.03 0.04 0.00 0.02 0.00 0.00 61.00 63.20 3ih6 s PRO 279 Cb -0.16 -2.90 -0.03 0.00 0.02 0.00 0.00 34.50 31.43 3ih6 s PRO 279 CO 0.11 -0.24 -0.12 -0.51 -0.33 0.00 0.00 177.00 175.91 3ih6 s LEU 280 N -2.09 2.26 0.06 -5.54 1.02 0.49 0.21 118.68 115.09 3ih6 s LEU 280 Ca 0.52 -0.57 0.07 0.00 0.02 0.00 0.00 54.13 54.18 3ih6 s LEU 280 Cb -0.36 -0.42 -0.03 0.00 0.02 0.00 0.00 46.19 45.41 3ih6 s LEU 280 CO 0.46 -0.10 -0.20 0.68 0.02 0.00 0.00 176.35 177.21 3ih6 s VAL 281 N -1.24 1.63 0.00 -1.59 -7.23 -0.59 0.35 120.40 111.73 3ih6 s VAL 281 Ca -0.04 -1.30 -0.05 0.00 -1.81 0.00 0.00 61.98 58.79 3ih6 s VAL 281 Cb -0.10 -1.44 -0.00 0.00 0.56 0.00 0.00 36.38 35.40 3ih6 s VAL 281 CO 0.02 0.09 0.08 0.00 -0.31 0.00 0.00 175.10 174.98 3ih6 s ALA 282 N -0.93 -0.18 0.21 1.32 0.00 0.15 -0.43 121.76 121.90 3ih6 s ALA 282 Ca 0.06 -0.23 0.02 0.00 0.00 0.00 0.00 51.96 51.81 3ih6 s ALA 282 Cb -0.09 0.09 -0.01 0.00 0.00 0.00 0.00 23.12 23.11 3ih6 s ALA 282 CO 0.03 -0.17 0.06 0.00 0.00 0.00 0.00 175.76 175.67 3ih6 n ALA 283 N 1.69 0.27 -3.65 0.00 0.00 0.52 -0.29 120.51 119.05 3ih6 n ALA 283 Ca -0.22 -1.06 -0.04 0.00 0.00 0.00 0.00 53.44 52.13 3ih6 n ALA 283 Cb 0.56 0.68 -0.07 0.00 0.00 0.00 0.00 19.45 20.62 3ih6 n ALA 283 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3ih6 s TYR 285 N -2.21 -0.17 0.29 0.00 2.02 0.22 -1.40 117.35 116.09 3ih6 s TYR 285 Ca 0.08 0.40 -0.29 0.00 -0.37 0.00 0.00 57.07 56.89 3ih6 s TYR 285 Cb 0.00 0.40 -0.10 0.00 -0.40 0.00 0.00 41.96 41.87 3ih6 s TYR 285 CO 0.06 -0.08 1.33 -1.01 -1.57 0.00 0.00 175.55 174.28 3ih6 s HIS 286 N 0.25 3.09 0.64 2.71 3.76 -1.23 -0.63 115.29 123.87 3ih6 s HIS 286 Ca 0.04 1.29 -0.09 0.00 -0.15 0.00 0.00 55.06 56.16 3ih6 s HIS 286 Cb -0.05 -3.69 0.01 0.00 1.11 0.00 0.00 32.58 29.96 3ih6 s HIS 286 CO -0.13 -2.03 0.99 -0.51 -0.85 0.00 0.00 174.74 172.21 3ih6 s LEU 287 N -1.15 3.10 0.83 0.89 1.43 -0.58 -4.80 118.68 118.41 3ih6 s LEU 287 Ca 0.53 0.96 -0.11 0.00 -1.03 0.00 0.00 54.13 54.47 3ih6 s LEU 287 Cb -0.40 -3.79 0.09 0.00 0.03 0.00 0.00 46.19 42.13 3ih6 s LEU 287 CO 0.48 -1.15 1.10 -2.16 0.23 0.00 0.00 176.35 174.84 3ih6 s PRO 288 N -5.16 1.78 0.35 1.29 0.05 -1.26 -4.85 135.00 127.21 3ih6 s PRO 288 Ca 0.56 0.72 -0.26 0.00 0.05 0.00 0.00 61.00 62.07 3ih6 s PRO 288 Cb -0.11 -1.88 -0.13 0.00 0.05 0.00 0.00 34.50 32.44 3ih6 s PRO 288 CO 0.49 -1.85 0.87 0.00 0.05 0.00 0.00 177.00 176.56 3ih6 n ALA 289 N -3.60 -0.57 0.03 8.56 0.00 -1.26 -4.84 120.51 118.83 3ih6 n ALA 289 Ca 0.07 0.29 0.05 0.00 0.00 0.00 0.00 53.44 53.85 3ih6 n ALA 289 Cb 0.56 -1.95 0.45 0.00 0.00 0.00 0.00 19.45 18.51 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 1.51 1.75 -0.00 0.00 0.00 -1.94 -0.82 119.26 119.76 3ih6 h ALA 290 Ca -0.40 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3ih6 h ALA 290 Cb 1.36 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3ih6 h ALA 290 CO 0.57 0.23 -0.06 0.41 0.00 0.00 0.00 179.25 180.40 3ih6 n GLY 291 N -1.48 -1.03 3.77 0.00 0.00 -1.26 -4.77 105.19 100.42 3ih6 n GLY 291 Ca 0.03 -0.22 -0.38 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.42 6.57 0.00 1.61 0.15 -0.31 -4.90 113.70 114.39 3ih6 s SER 292 Ca 0.32 2.26 0.02 0.00 0.70 0.00 0.00 55.95 59.25 3ih6 s SER 292 Cb 0.20 -2.61 0.13 0.00 -1.71 0.00 0.00 66.02 62.04 3ih6 s SER 292 CO 0.45 -0.64 0.94 -2.65 1.20 0.00 0.00 173.24 172.55 3ih6 n PRO 293 N 0.02 0.85 0.01 5.44 -0.02 -1.26 -1.95 135.00 138.10 3ih6 n PRO 293 Ca 0.05 0.00 0.11 0.00 -2.02 0.00 0.00 63.50 61.63 3ih6 n PRO 293 Cb 0.47 -1.04 -0.09 0.00 -0.02 0.00 0.00 33.50 32.82 3ih6 n PRO 293 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3ih6 n ASP 294 N -0.54 0.48 0.10 2.55 8.00 -1.26 -4.60 116.55 121.28 3ih6 n ASP 294 Ca 0.02 -0.31 -0.13 0.00 0.71 0.00 0.00 54.79 55.08 3ih6 n ASP 294 Cb 0.01 1.32 -0.07 0.00 -0.02 0.00 0.00 41.12 42.36 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 -0.25 -0.63 1.24 3.57 -1.61 -1.74 116.94 117.52 3ih6 h PHE 295 Ca 0.00 0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.55 3ih6 h PHE 295 Cb 0.79 0.10 -0.04 0.00 2.79 0.00 0.00 35.95 39.59 3ih6 h PHE 295 CO 0.00 -0.15 0.42 0.28 -2.23 0.00 0.00 178.31 176.62 3ih6 h VAL 296 N -0.23 1.03 -0.24 1.41 2.07 -1.82 -1.96 116.25 116.52 3ih6 h VAL 296 Ca 0.00 -0.23 0.06 0.00 0.82 0.00 0.00 66.70 67.35 3ih6 h VAL 296 Cb 0.21 0.30 -0.06 0.00 -1.52 0.00 0.00 31.29 30.22 3ih6 h VAL 296 CO -0.02 0.12 -0.16 1.23 0.02 0.00 0.00 177.57 178.76 3ih6 h GLY 297 N 0.67 0.01 0.84 2.17 0.00 -1.59 -2.19 103.07 102.99 3ih6 h GLY 297 Ca 0.27 0.20 -0.02 0.00 0.00 0.00 0.00 47.33 47.77 3ih6 h GLY 297 CO -0.08 -0.16 0.04 1.41 0.00 0.00 0.00 176.54 177.75 3ih6 h LEU 298 N -0.14 0.32 -0.54 3.11 4.07 -0.77 -0.57 115.31 120.79 3ih6 h LEU 298 Ca 0.13 -0.25 0.07 0.00 0.08 0.00 0.00 57.88 57.91 3ih6 h LEU 298 Cb 0.35 -0.08 -0.10 0.00 1.08 0.00 0.00 40.66 41.91 3ih6 h LEU 298 CO -0.33 0.49 -0.50 0.44 -1.08 0.00 0.00 178.44 177.46 3ih6 h ASP 299 N 0.14 -1.71 -0.77 -0.43 5.19 -1.32 0.12 116.42 117.63 3ih6 h ASP 299 Ca 0.06 0.25 -0.03 0.00 -0.62 0.00 0.00 57.03 56.69 3ih6 h ASP 299 Cb 0.30 0.74 -0.04 0.00 0.18 0.00 0.00 39.33 40.51 3ih6 h ASP 299 CO 0.00 -0.36 0.36 -0.07 -3.12 0.00 0.00 179.24 176.06 3ih6 h LEU 300 N -0.28 1.02 -0.40 1.55 3.38 -1.37 -2.73 115.31 116.47 3ih6 h LEU 300 Ca 0.13 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 57.99 3ih6 h LEU 300 Cb 0.57 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 3ih6 h LEU 300 CO -0.67 0.87 0.26 0.00 0.09 0.00 0.00 178.44 178.99 3ih6 h ALA 301 N 1.28 0.51 -0.82 1.53 0.00 0.11 -2.45 119.26 119.42 3ih6 h ALA 301 Ca 0.27 -0.02 0.11 0.00 0.00 0.00 0.00 54.91 55.27 3ih6 h ALA 301 Cb 0.13 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 17.71 3ih6 h ALA 301 CO -0.03 -0.06 0.53 0.00 0.00 0.00 0.00 179.25 179.69 3ih6 h ALA 302 N 1.16 1.82 0.22 0.00 0.00 -0.51 0.74 119.26 122.68 3ih6 h ALA 302 Ca 0.15 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 3ih6 h ALA 302 Cb -0.04 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.61 3ih6 h ALA 302 CO -0.05 -0.01 -0.11 1.15 0.00 0.00 0.00 179.25 180.24 3ih6 h THR 303 N 0.68 0.86 -0.99 0.00 2.02 -1.40 -0.09 112.91 114.00 3ih6 h THR 303 Ca 0.39 -0.61 0.19 0.00 0.77 0.00 0.00 66.41 67.14 3ih6 h THR 303 Cb 0.57 1.21 -0.10 0.00 -1.74 0.00 0.00 68.15 68.09 3ih6 h THR 303 CO -0.16 0.13 0.61 0.40 0.37 0.00 0.00 175.52 176.88 3ih6 h ILE 304 N -0.62 0.71 0.02 3.11 2.04 -0.96 -1.21 117.51 120.61 3ih6 h ILE 304 Ca -0.03 -0.24 -0.21 0.00 1.00 0.00 0.00 64.86 65.38 3ih6 h ILE 304 Cb 0.44 -0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.47 3ih6 h ILE 304 CO 0.05 0.13 -0.95 -0.07 0.00 0.00 0.00 178.15 177.31 3ih6 h LEU 305 N 0.70 0.23 -0.06 1.44 3.38 -0.67 -2.92 115.31 117.40 3ih6 h LEU 305 Ca 0.55 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 58.31 3ih6 h LEU 305 Cb 0.95 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.62 3ih6 h LEU 305 CO -0.32 1.05 0.00 0.00 0.09 0.00 0.00 178.44 179.26 3ih6 n ALA 306 N -2.45 0.93 -2.82 1.53 0.00 -0.06 -1.24 120.51 116.39 3ih6 n ALA 306 Ca -0.04 -0.03 -0.35 0.00 0.00 0.00 0.00 53.44 53.02 3ih6 n ALA 306 Cb 0.86 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 20.21 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 -0.39 5.65 0.00 0.00 2.15 -0.49 -4.38 116.67 119.22 3ih6 s ASP 307 Ca 0.00 0.06 0.00 0.00 0.43 0.00 0.00 52.55 53.04 3ih6 s ASP 307 Cb 0.00 -1.98 0.00 0.00 -0.30 0.00 0.00 42.92 40.64 3ih6 s ASP 307 CO 0.00 0.14 0.00 0.35 -0.17 0.00 0.00 175.17 175.49 3ih6 n THR 308 N 3.79 0.00 0.32 1.71 -2.24 -1.26 -3.72 114.28 112.88 3ih6 n THR 308 Ca -0.16 0.00 0.19 0.00 -2.27 0.00 0.00 64.05 61.80 3ih6 n THR 308 Cb 0.52 0.00 0.99 0.00 -2.10 0.00 0.00 70.33 69.74 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 0.00 0.00 -0.00 -0.78 0.11 -1.94 -2.10 132.00 127.29 3ih6 h PRO 309 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3ih6 h PRO 309 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 3ih6 h PRO 309 CO 0.00 0.00 -0.06 0.43 -0.21 0.00 0.00 178.00 178.16 3ih6 n SER 310 N -3.06 0.13 -4.77 -2.05 7.64 -1.26 -3.94 113.62 106.30 3ih6 n SER 310 Ca -0.02 -0.04 -0.33 0.00 1.01 0.00 0.00 58.87 59.49 3ih6 n SER 310 Cb 0.25 -0.27 0.04 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 -2.71 5.23 0.29 6.43 1.04 -0.79 -4.85 113.70 118.34 3ih6 s SER 311 Ca 0.23 2.00 0.01 0.00 0.48 0.00 0.00 55.95 58.67 3ih6 s SER 311 Cb 0.20 -2.55 0.56 0.00 0.10 0.00 0.00 66.02 64.32 3ih6 s SER 311 CO 0.50 -1.55 1.85 0.03 0.98 0.00 0.00 173.24 175.06 3ih6 h ARG 312 N 0.17 0.97 -0.05 4.02 2.47 -1.33 -2.14 114.38 118.50 3ih6 h ARG 312 Ca -0.47 -0.06 -0.04 0.00 -1.26 0.00 0.00 59.98 58.15 3ih6 h ARG 312 Cb 1.24 -0.22 0.00 0.00 -1.65 0.00 0.00 29.97 29.35 3ih6 h ARG 312 CO 0.55 0.64 -0.13 -0.07 0.56 0.00 0.00 179.97 181.52 3ih6 h LEU 313 N 1.00 0.20 0.21 3.04 3.38 -1.48 -2.51 115.31 119.14 3ih6 h LEU 313 Ca 0.47 -0.60 0.01 0.00 0.09 0.00 0.00 57.88 57.85 3ih6 h LEU 313 Cb 0.43 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 3ih6 h LEU 313 CO -0.23 0.76 -0.29 0.22 0.09 0.00 0.00 178.44 178.99 3ih6 h TYR 314 N -0.36 -0.79 -0.83 1.13 3.20 -1.74 0.19 116.97 117.78 3ih6 h TYR 314 Ca -0.00 0.01 0.15 0.00 3.14 0.00 0.00 58.73 62.02 3ih6 h TYR 314 Cb 0.74 0.32 -0.06 0.00 1.54 0.00 0.00 36.73 39.27 3ih6 h TYR 314 CO 0.13 -0.41 0.54 1.25 -1.64 0.00 0.00 178.16 178.03 3ih6 h HIS 315 N -0.56 0.66 0.00 -3.82 2.76 -1.47 0.19 115.15 112.91 3ih6 h HIS 315 Ca 0.01 0.02 -0.16 0.00 -2.20 0.00 0.00 60.37 58.04 3ih6 h HIS 315 Cb 0.55 -0.21 -0.02 0.00 1.55 0.00 0.00 27.41 29.28 3ih6 h HIS 315 CO -0.22 0.25 -0.74 0.00 -1.30 0.00 0.00 177.93 175.91 3ih6 h ALA 316 N 1.62 0.57 0.00 5.26 0.00 -0.88 -3.40 119.26 122.43 3ih6 h ALA 316 Ca 0.41 -0.67 -0.13 0.00 0.00 0.00 0.00 54.91 54.52 3ih6 h ALA 316 Cb 0.79 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 3ih6 h ALA 316 CO -0.16 0.92 -1.59 1.28 0.00 0.00 0.00 179.25 179.69 3ih6 n LEU 317 N -3.36 0.00 -0.11 0.00 4.77 -0.02 -4.68 117.00 113.60 3ih6 n LEU 317 Ca 0.01 0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 55.81 3ih6 n LEU 317 Cb 0.80 0.18 -0.06 0.00 -2.33 0.00 0.00 43.42 42.01 3ih6 n LEU 317 CO 0.43 0.18 -0.93 0.52 -1.33 0.00 0.00 177.39 176.26 3ih6 n VAL 318 N -2.24 1.51 -0.07 4.08 0.31 -0.03 0.04 118.33 121.94 3ih6 n VAL 318 Ca -0.12 -0.07 0.05 0.00 -0.01 0.00 0.00 64.34 64.18 3ih6 n VAL 318 Cb 0.69 -2.15 0.39 0.00 -0.91 0.00 0.00 33.84 31.86 3ih6 n VAL 318 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 3ih6 h PRO 319 N -1.00 0.62 0.00 5.55 0.13 -1.78 0.25 132.00 135.77 3ih6 h PRO 319 Ca -0.30 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 3ih6 h PRO 319 Cb 1.22 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.20 3ih6 h PRO 319 CO -0.18 0.41 0.00 0.25 -0.23 0.00 0.00 178.00 178.25 3ih6 n THR 320 N -4.47 1.18 -2.08 1.56 -2.24 -1.26 -4.88 114.28 102.10 3ih6 n THR 320 Ca 0.06 0.36 -0.11 0.00 -2.27 0.00 0.00 64.05 62.09 3ih6 n THR 320 Cb 0.11 -1.24 -0.01 0.00 -2.10 0.00 0.00 70.33 67.08 3ih6 n THR 320 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 3ih6 n LYS 321 N -1.78 -0.87 0.10 -0.78 0.00 0.07 -4.91 118.16 109.99 3ih6 n LYS 321 Ca 0.02 0.59 0.12 0.00 -0.00 0.00 0.00 58.31 59.03 3ih6 n LYS 321 Cb 0.13 -4.69 0.02 0.00 -0.00 0.00 0.00 35.03 30.49 3ih6 n LYS 321 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 3ih6 n LEU 322 N -1.55 0.82 -3.62 -5.58 4.32 0.11 -4.93 117.00 106.58 3ih6 n LEU 322 Ca -0.13 0.30 -0.10 0.00 -0.02 0.00 0.00 56.01 56.06 3ih6 n LEU 322 Cb 0.57 -0.08 -0.03 0.00 -1.62 0.00 0.00 43.42 42.26 3ih6 n LEU 322 CO 0.16 -0.16 0.33 0.00 -1.22 0.00 0.00 177.39 176.50 3ih6 s ALA 323 N -3.34 -1.23 -0.08 -1.18 0.00 0.03 -4.64 121.76 111.32 3ih6 s ALA 323 Ca 0.00 0.07 0.22 0.00 0.00 0.00 0.00 51.96 52.25 3ih6 s ALA 323 Cb 0.10 0.85 -0.29 0.00 0.00 0.00 0.00 23.12 23.78 3ih6 s ALA 323 CO 0.78 -0.80 0.57 0.45 0.00 0.00 0.00 175.76 176.76 3ih6 n SER 324 N -0.36 0.14 -3.57 0.00 2.88 0.22 -4.26 113.62 108.67 3ih6 n SER 324 Ca -0.13 0.02 -0.06 0.00 -1.33 0.00 0.00 58.87 57.38 3ih6 n SER 324 Cb 0.63 1.77 -0.02 0.00 -0.75 0.00 0.00 64.21 65.84 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 -4.46 -0.38 0.09 0.46 0.00 -1.06 -1.24 107.32 100.73 3ih6 s GLY 325 Ca -0.07 1.08 0.04 0.00 0.00 0.00 0.00 44.72 45.77 3ih6 s GLY 325 CO 0.89 0.34 -0.11 -1.34 0.00 0.00 0.00 173.10 172.89 3ih6 s VAL 326 N -2.84 0.95 0.05 1.40 -7.23 0.50 -0.47 120.40 112.76 3ih6 s VAL 326 Ca 0.08 -1.54 -0.01 0.00 -1.81 0.00 0.00 61.98 58.71 3ih6 s VAL 326 Cb -0.01 -1.25 -0.04 0.00 0.56 0.00 0.00 36.38 35.65 3ih6 s VAL 326 CO -0.06 -0.48 -0.03 0.72 -0.31 0.00 0.00 175.10 174.94 3ih6 s PHE 327 N -2.14 0.53 -0.10 2.82 -0.71 0.25 -0.88 117.98 117.76 3ih6 s PHE 327 Ca 0.03 -0.99 -0.05 0.00 -1.04 0.00 0.00 56.93 54.88 3ih6 s PHE 327 Cb -0.05 -0.38 0.04 0.00 -1.21 0.00 0.00 43.02 41.42 3ih6 s PHE 327 CO 0.01 -0.33 0.24 0.20 -1.34 0.00 0.00 175.22 173.99 3ih6 s GLY 328 N -2.76 -0.14 -0.01 1.99 0.00 -0.65 -0.53 107.32 105.22 3ih6 s GLY 328 Ca 0.05 0.96 0.01 0.00 0.00 0.00 0.00 44.72 45.74 3ih6 s GLY 328 CO -0.08 1.20 -0.05 -1.36 0.00 0.00 0.00 173.10 172.81 3ih6 s PHE 329 N 1.19 0.44 0.54 1.90 0.40 -1.26 -1.77 117.98 119.43 3ih6 s PHE 329 Ca -0.09 -0.08 0.05 0.00 -0.60 0.00 0.00 56.93 56.20 3ih6 s PHE 329 Cb -0.10 -0.31 0.03 0.00 0.51 0.00 0.00 43.02 43.15 3ih6 s PHE 329 CO -0.08 -0.02 0.33 0.95 0.70 0.00 0.00 175.22 177.10 3ih6 s THR 330 N 0.01 1.52 0.00 0.64 -4.23 -0.88 -4.03 115.64 108.67 3ih6 s THR 330 Ca 0.00 -1.59 0.00 0.00 -1.18 0.00 0.00 61.69 58.93 3ih6 s THR 330 Cb -0.03 -2.11 0.00 0.00 1.34 0.00 0.00 72.50 71.70 3ih6 s THR 330 CO -0.00 0.00 0.00 -0.67 -0.54 0.00 0.00 174.62 173.41 3ih6 n ASP 332 N -1.69 0.00 0.10 3.99 2.03 -1.26 -4.84 116.55 114.88 3ih6 n ASP 332 Ca -0.05 -0.16 0.08 0.00 0.52 0.00 0.00 54.79 55.18 3ih6 n ASP 332 Cb 0.65 0.00 0.39 0.00 -0.72 0.00 0.00 41.12 41.44 3ih6 n ASP 332 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3ih6 n GLN 333 N 0.00 0.10 -3.35 -0.67 10.64 -1.26 -4.76 117.38 118.09 3ih6 n GLN 333 Ca 0.00 0.50 -0.20 0.00 -1.83 0.00 0.00 57.00 55.48 3ih6 n GLN 333 Cb 0.04 -1.77 -0.00 0.00 -0.86 0.00 0.00 30.24 27.65 3ih6 n GLN 333 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 3ih6 s LEU 334 N -3.96 3.89 -0.20 2.61 1.43 -1.26 -5.05 118.68 116.14 3ih6 s LEU 334 Ca 0.01 -0.11 -0.04 0.00 -1.03 0.00 0.00 54.13 52.96 3ih6 s LEU 334 Cb 0.06 -2.82 0.07 0.00 0.03 0.00 0.00 46.19 43.52 3ih6 s LEU 334 CO 0.21 -0.51 0.07 -0.62 0.23 0.00 0.00 176.35 175.73 3ih6 s ASP 335 N -4.19 2.81 0.56 2.29 2.15 -1.26 -2.58 116.67 116.44 3ih6 s ASP 335 Ca 0.46 -0.83 -0.17 0.00 0.43 0.00 0.00 52.55 52.44 3ih6 s ASP 335 Cb -0.10 -0.44 -0.05 0.00 -0.30 0.00 0.00 42.92 42.03 3ih6 s ASP 335 CO 0.32 -0.34 1.03 -2.16 -0.17 0.00 0.00 175.17 173.85 3ih6 s PRO 336 N 1.99 3.56 0.53 4.34 0.04 -1.26 -5.14 135.00 139.05 3ih6 s PRO 336 Ca 0.02 1.15 -0.22 0.00 0.04 0.00 0.00 61.00 61.99 3ih6 s PRO 336 Cb -0.17 -2.07 -0.05 0.00 0.04 0.00 0.00 34.50 32.25 3ih6 s PRO 336 CO -0.12 -0.61 1.34 0.20 0.04 0.00 0.00 177.00 177.84 3ih6 s GLY 337 N -2.76 2.88 0.02 0.56 0.00 -1.07 -4.96 107.32 101.99 3ih6 s GLY 337 Ca 0.63 1.29 0.01 0.00 0.00 0.00 0.00 44.72 46.65 3ih6 s GLY 337 CO 0.33 1.80 -0.06 1.08 0.00 0.00 0.00 173.10 176.26 3ih6 s LEU 338 N -3.40 2.15 0.00 0.66 1.43 -1.26 -1.53 118.68 116.74 3ih6 s LEU 338 Ca 0.70 -0.35 0.02 0.00 -1.03 0.00 0.00 54.13 53.46 3ih6 s LEU 338 Cb -0.39 -0.14 0.02 0.00 0.03 0.00 0.00 46.19 45.71 3ih6 s LEU 338 CO 0.46 -0.12 0.14 0.00 0.23 0.00 0.00 176.35 177.06 3ih6 n ALA 339 N 2.09 0.23 0.00 4.21 0.00 0.20 -4.23 120.51 123.01 3ih6 n ALA 339 Ca -0.19 -0.48 0.00 0.00 0.00 0.00 0.00 53.44 52.77 3ih6 n ALA 339 Cb 0.56 0.16 0.00 0.00 0.00 0.00 0.00 19.45 20.18 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 -1.04 0.00 -3.97 0.00 3.72 -0.49 -0.61 117.46 115.06 3ih6 n PHE 341 Ca 0.02 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.32 3ih6 n PHE 341 Cb 0.14 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.64 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 0.62 0.01 1.37 0.00 0.31 -0.36 107.32 109.27 3ih6 s GLY 342 Ca 0.00 -0.92 0.02 0.00 0.00 0.00 0.00 44.72 43.83 3ih6 s GLY 342 CO 0.00 -0.59 -0.08 0.00 0.00 0.00 0.00 173.10 172.43 3ih6 s ALA 343 N -3.59 0.61 -0.17 3.20 0.00 0.42 -0.58 121.76 121.66 3ih6 s ALA 343 Ca 0.22 -0.44 -0.09 0.00 0.00 0.00 0.00 51.96 51.65 3ih6 s ALA 343 Cb -0.02 -0.10 -0.05 0.00 0.00 0.00 0.00 23.12 22.95 3ih6 s ALA 343 CO 0.11 0.11 0.13 1.14 0.00 0.00 0.00 175.76 177.25 3ih6 s GLN 344 N -0.56 3.86 0.49 0.00 -2.07 0.38 -1.54 119.66 120.23 3ih6 s GLN 344 Ca -0.00 -0.20 0.06 0.00 -1.82 0.00 0.00 55.36 53.40 3ih6 s GLN 344 Cb -0.05 -3.31 0.01 0.00 -1.09 0.00 0.00 33.01 28.58 3ih6 s GLN 344 CO 0.00 0.49 0.38 -0.51 -1.32 0.00 0.00 175.29 174.33 3ih6 s LEU 345 N -0.21 2.95 0.43 2.60 1.43 0.13 0.70 118.68 126.71 3ih6 s LEU 345 Ca 0.11 -1.08 -0.01 0.00 -1.03 0.00 0.00 54.13 52.11 3ih6 s LEU 345 Cb -0.11 -1.47 -0.02 0.00 0.03 0.00 0.00 46.19 44.62 3ih6 s LEU 345 CO 0.01 -0.92 0.66 -1.10 0.23 0.00 0.00 176.35 175.23 3ih6 s GLN 346 N -4.20 3.33 0.18 1.70 -1.52 -1.26 -4.03 119.66 113.86 3ih6 s GLN 346 Ca 0.40 -0.23 0.08 0.00 -1.95 0.00 0.00 55.36 53.65 3ih6 s GLN 346 Cb -0.02 -2.54 0.60 0.00 -0.22 0.00 0.00 33.01 30.84 3ih6 s GLN 346 CO 0.24 -0.12 0.81 -2.30 -0.25 0.00 0.00 175.29 173.67 3ih6 n PRO 347 N -2.04 -0.03 -3.14 2.91 -0.01 -1.26 -4.67 135.00 126.76 3ih6 n PRO 347 Ca -0.01 0.73 -0.33 0.00 -0.01 0.00 0.00 63.50 63.88 3ih6 n PRO 347 Cb 0.56 -1.26 -0.04 0.00 -0.01 0.00 0.00 33.50 32.76 3ih6 n PRO 347 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 3ih6 n GLY 348 N -1.17 5.20 3.17 -1.23 0.00 -1.26 -4.99 105.19 104.91 3ih6 n GLY 348 Ca 0.17 -2.73 -0.35 0.00 0.00 0.00 0.00 46.02 43.11 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 -2.33 4.99 0.25 1.61 -1.08 -1.26 -5.19 116.67 113.66 3ih6 s ASP 350 Ca 0.39 -1.38 -0.01 0.00 -0.52 0.00 0.00 52.55 51.04 3ih6 s ASP 350 Cb 0.15 -1.74 0.30 0.00 -1.46 0.00 0.00 42.92 40.16 3ih6 s ASP 350 CO -0.01 -0.31 1.67 0.06 0.52 0.00 0.00 175.17 177.11 3ih6 h GLN 351 N 8.02 0.60 -0.02 4.34 -0.00 -1.97 -1.92 115.11 124.16 3ih6 h GLN 351 Ca -0.20 -0.24 -0.10 0.00 -0.00 0.00 0.00 58.65 58.11 3ih6 h GLN 351 Cb 1.06 -0.03 -0.01 0.00 -0.00 0.00 0.00 27.48 28.50 3ih6 h GLN 351 CO 0.56 0.80 -0.47 -0.44 -0.00 0.00 0.00 178.83 179.29 3ih6 h ASP 352 N 0.53 0.05 0.01 0.06 5.19 -2.00 -2.20 116.42 118.07 3ih6 h ASP 352 Ca 0.07 -0.02 -0.25 0.00 -0.62 0.00 0.00 57.03 56.21 3ih6 h ASP 352 Cb 0.72 -0.02 0.01 0.00 0.18 0.00 0.00 39.33 40.23 3ih6 h ASP 352 CO 0.06 0.51 -0.95 0.50 -3.12 0.00 0.00 179.24 176.24 3ih6 h LYS 353 N 0.04 0.68 -0.47 3.56 1.63 -1.87 -2.24 116.57 117.90 3ih6 h LYS 353 Ca -0.00 -0.67 -0.08 0.00 -0.85 0.00 0.00 60.65 59.05 3ih6 h LYS 353 Cb 0.84 0.18 -0.02 0.00 -0.60 0.00 0.00 32.23 32.63 3ih6 h LYS 353 CO 0.06 1.27 -0.00 0.00 -3.45 0.00 0.00 179.45 177.33 3ih6 h ALA 354 N 0.51 0.64 -0.09 5.00 0.00 -1.30 -1.51 119.26 122.51 3ih6 h ALA 354 Ca -0.10 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 3ih6 h ALA 354 Cb 1.59 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 19.20 3ih6 h ALA 354 CO 0.19 0.44 -0.01 1.25 0.00 0.00 0.00 179.25 181.12 3ih6 h LEU 355 N 0.69 0.16 0.22 0.00 5.85 -1.43 0.16 115.31 120.96 3ih6 h LEU 355 Ca 0.13 -0.33 -0.00 0.00 0.84 0.00 0.00 57.88 58.52 3ih6 h LEU 355 Cb 0.51 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 3ih6 h LEU 355 CO 0.02 0.45 -0.16 -0.61 -0.34 0.00 0.00 178.44 177.81 3ih6 h GLN 356 N -0.13 -0.37 -0.64 1.25 -0.00 -1.38 0.10 115.11 113.94 3ih6 h GLN 356 Ca 0.03 0.03 0.05 0.00 -0.00 0.00 0.00 58.65 58.75 3ih6 h GLN 356 Cb 0.37 0.08 -0.05 0.00 0.00 0.00 0.00 27.48 27.88 3ih6 h GLN 356 CO 0.01 -0.25 0.35 1.15 0.00 0.00 0.00 178.83 180.09 3ih6 h THR 357 N -0.38 0.97 -0.17 2.39 2.02 -1.31 -0.11 112.91 116.32 3ih6 h THR 357 Ca -0.02 -0.23 0.05 0.00 0.77 0.00 0.00 66.41 66.99 3ih6 h THR 357 Cb 0.33 0.26 -0.06 0.00 -1.74 0.00 0.00 68.15 66.94 3ih6 h THR 357 CO 0.00 0.12 -0.20 0.25 0.37 0.00 0.00 175.52 176.06 3ih6 h LEU 358 N 0.66 -0.63 -0.33 2.58 6.46 0.15 -0.88 115.31 123.32 3ih6 h LEU 358 Ca 0.28 0.11 -0.12 0.00 -0.12 0.00 0.00 57.88 58.04 3ih6 h LEU 358 Cb 0.17 0.30 -0.01 0.00 -0.73 0.00 0.00 40.66 40.39 3ih6 h LEU 358 CO -0.17 -0.25 -0.26 0.71 -0.62 0.00 0.00 178.44 177.85 3ih6 h THR 359 N -0.24 1.29 -0.32 1.05 1.35 -0.52 -2.49 112.91 113.03 3ih6 h THR 359 Ca 0.11 -1.42 -0.03 0.00 -0.55 0.00 0.00 66.41 64.52 3ih6 h THR 359 Cb 0.40 1.48 -0.02 0.00 -1.73 0.00 0.00 68.15 68.28 3ih6 h THR 359 CO -0.31 0.46 0.05 0.00 -0.25 0.00 0.00 175.52 175.47 3ih6 h ALA 360 N 0.74 1.49 0.01 6.62 0.00 -0.92 0.32 119.26 127.53 3ih6 h ALA 360 Ca 0.06 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 3ih6 h ALA 360 Cb 0.83 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.48 3ih6 h ALA 360 CO 0.07 0.37 -0.00 1.15 0.00 0.00 0.00 179.25 180.84 3ih6 h THR 361 N 0.46 1.07 -0.40 0.00 2.02 -1.04 -2.42 112.91 112.61 3ih6 h THR 361 Ca 0.11 -0.25 -0.10 0.00 0.77 0.00 0.00 66.41 66.94 3ih6 h THR 361 Cb 0.23 1.24 -0.02 0.00 -1.74 0.00 0.00 68.15 67.87 3ih6 h THR 361 CO 0.00 0.07 -0.16 -0.07 0.37 0.00 0.00 175.52 175.73 3ih6 h LEU 362 N -0.12 0.74 -2.10 2.58 3.38 -0.93 -3.30 115.31 115.55 3ih6 h LEU 362 Ca -0.00 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.73 3ih6 h LEU 362 Cb 0.12 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.67 3ih6 h LEU 362 CO 0.00 0.91 0.00 -0.62 0.09 0.00 0.00 178.44 178.82 3ih6 n GLU 363 N -4.14 2.38 -1.16 1.13 1.02 0.11 -4.32 120.64 115.64 3ih6 n GLU 363 Ca 0.01 -2.08 -0.02 0.00 -0.02 0.00 0.00 57.16 55.05 3ih6 n GLU 363 Cb 0.39 -1.49 0.13 0.00 -0.02 0.00 0.00 31.44 30.45 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 1.29 2.40 0.29 1.62 3.41 -0.91 -4.80 113.62 116.93 3ih6 n SER 364 Ca 0.19 -3.55 0.19 0.00 -0.26 0.00 0.00 58.87 55.43 3ih6 n SER 364 Cb 0.56 -0.45 1.00 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 1.37 0.00 -2.17 1.04 3.38 -1.75 0.13 115.31 117.31 3ih6 h LEU 365 Ca 0.06 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 3ih6 h LEU 365 Cb 1.25 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.00 3ih6 h LEU 365 CO 0.21 0.00 -0.03 0.77 0.09 0.00 0.00 178.44 179.48 3ih6 h SER 366 N 0.00 0.00 0.91 -0.43 4.64 -1.94 -2.41 113.55 114.32 3ih6 h SER 366 Ca 0.02 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.18 3ih6 h SER 366 Cb 0.22 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.28 3ih6 h SER 366 CO -0.00 0.03 -1.17 0.28 -0.87 0.00 0.00 176.83 175.09 3ih6 h SER 367 N 0.00 0.00 -3.44 4.97 0.02 -1.36 -3.40 113.55 110.34 3ih6 h SER 367 Ca -0.00 0.00 -0.61 0.00 -0.84 0.00 0.00 61.79 60.34 3ih6 h SER 367 Cb 0.05 0.00 -0.40 0.00 0.14 0.00 0.00 62.40 62.19 3ih6 h SER 367 CO 0.00 0.63 -0.74 -0.54 -1.14 0.00 0.00 176.83 175.04 3ih6 s LYS 368 N -2.89 1.32 0.58 3.45 3.01 -0.95 -5.14 119.74 119.13 3ih6 s LYS 368 Ca -0.01 -2.07 -0.14 0.00 -1.01 0.00 0.00 55.97 52.74 3ih6 s LYS 368 Cb 0.08 -2.35 -0.05 0.00 -1.01 0.00 0.00 37.83 34.50 3ih6 s LYS 368 CO 0.80 -1.17 1.01 -1.25 0.51 0.00 0.00 175.35 175.25 3ih6 s PRO 369 N 0.27 3.68 0.34 -1.68 0.05 -0.97 -4.64 135.00 132.06 3ih6 s PRO 369 Ca 0.19 0.89 -0.29 0.00 0.05 0.00 0.00 61.00 61.84 3ih6 s PRO 369 Cb -0.22 -2.09 -0.11 0.00 0.05 0.00 0.00 34.50 32.13 3ih6 s PRO 369 CO -0.01 -0.50 1.37 -0.06 0.05 0.00 0.00 177.00 177.85 3ih6 s PHE 370 N -2.87 2.89 0.42 0.56 0.08 -1.26 -5.02 117.98 112.79 3ih6 s PHE 370 Ca 0.58 1.32 -0.03 0.00 0.12 0.00 0.00 56.93 58.92 3ih6 s PHE 370 Cb -0.11 -3.80 -0.03 0.00 -0.57 0.00 0.00 43.02 38.51 3ih6 s PHE 370 CO 0.43 -2.27 0.68 -1.54 -0.10 0.00 0.00 175.22 172.42 3ih6 s SER 371 N -0.34 6.25 0.19 1.36 1.04 -1.26 -4.99 113.70 115.95 3ih6 s SER 371 Ca 0.51 0.70 -0.11 0.00 0.48 0.00 0.00 55.95 57.52 3ih6 s SER 371 Cb -0.42 -2.12 0.11 0.00 0.10 0.00 0.00 66.02 63.69 3ih6 s SER 371 CO 0.56 -0.47 1.78 -0.61 0.98 0.00 0.00 173.24 175.47 3ih6 h GLN 372 N 0.45 0.95 -0.89 4.02 5.75 -1.99 -1.86 115.11 121.54 3ih6 h GLN 372 Ca -0.48 -0.14 0.10 0.00 -0.15 0.00 0.00 58.65 57.98 3ih6 h GLN 372 Cb 1.21 -0.17 -0.06 0.00 1.07 0.00 0.00 27.48 29.53 3ih6 h GLN 372 CO 0.61 0.76 0.57 1.49 -2.65 0.00 0.00 178.83 179.61 3ih6 h GLU 373 N 0.92 0.84 -0.35 1.69 4.81 -1.99 0.15 114.58 120.65 3ih6 h GLU 373 Ca 0.23 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.38 3ih6 h GLU 373 Cb 0.12 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.29 3ih6 h GLU 373 CO -0.03 0.56 0.10 0.93 -0.73 0.00 0.00 179.01 179.84 3ih6 h GLU 374 N 0.87 0.54 -0.03 1.92 5.08 -1.74 -2.20 114.58 119.01 3ih6 h GLU 374 Ca 0.42 -0.12 -0.00 0.00 -1.00 0.00 0.00 59.36 58.65 3ih6 h GLU 374 Cb 0.43 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.61 3ih6 h GLU 374 CO -0.18 0.58 0.02 1.25 -1.00 0.00 0.00 179.01 179.68 3ih6 h LEU 375 N 0.41 0.04 -1.09 1.33 5.85 -0.80 -1.59 115.31 119.46 3ih6 h LEU 375 Ca 0.11 -0.07 0.04 0.00 0.84 0.00 0.00 57.88 58.80 3ih6 h LEU 375 Cb 0.27 -0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.24 3ih6 h LEU 375 CO -0.00 0.10 0.62 -0.33 -0.34 0.00 0.00 178.44 178.49 3ih6 h GLU 376 N -0.02 1.14 -0.48 1.25 4.39 -0.69 0.42 114.58 120.58 3ih6 h GLU 376 Ca 0.01 -0.07 0.04 0.00 0.34 0.00 0.00 59.36 59.69 3ih6 h GLU 376 Cb 0.07 -0.26 -0.04 0.00 -0.10 0.00 0.00 28.75 28.42 3ih6 h GLU 376 CO -0.00 0.75 0.24 -0.09 -1.16 0.00 0.00 179.01 178.75 3ih6 h ARG 377 N 1.17 0.46 0.01 2.33 2.43 -1.16 -1.53 114.38 118.10 3ih6 h ARG 377 Ca 0.38 -0.03 -0.24 0.00 -0.81 0.00 0.00 59.98 59.28 3ih6 h ARG 377 Cb 0.03 -0.10 0.01 0.00 -0.42 0.00 0.00 29.97 29.49 3ih6 h ARG 377 CO -0.12 0.30 -0.99 0.00 -1.51 0.00 0.00 179.97 177.65 3ih6 h ALA 378 N 1.26 0.29 -0.25 2.80 0.00 -0.08 -3.05 119.26 120.24 3ih6 h ALA 378 Ca 0.21 -0.72 -0.01 0.00 0.00 0.00 0.00 54.91 54.39 3ih6 h ALA 378 Cb 0.13 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3ih6 h ALA 378 CO -0.15 0.80 0.12 -0.09 0.00 0.00 0.00 179.25 179.92 3ih6 h ARG 379 N 0.25 0.36 -0.54 0.00 2.43 -0.14 -2.05 114.38 114.69 3ih6 h ARG 379 Ca -0.10 -0.05 0.09 0.00 -0.81 0.00 0.00 59.98 59.11 3ih6 h ARG 379 Cb 1.64 -0.06 -0.07 0.00 -0.42 0.00 0.00 29.97 31.05 3ih6 h ARG 379 CO 0.18 0.37 0.13 1.03 -1.51 0.00 0.00 179.97 180.16 3ih6 h SER 380 N 0.27 0.05 -0.70 -3.80 0.87 -1.35 -0.06 113.55 108.82 3ih6 h SER 380 Ca 0.09 0.09 -0.05 0.00 -1.23 0.00 0.00 61.79 60.69 3ih6 h SER 380 Cb 0.13 0.11 -0.03 0.00 -0.44 0.00 0.00 62.40 62.17 3ih6 h SER 380 CO -0.01 0.05 0.24 0.50 -0.53 0.00 0.00 176.83 177.08 3ih6 h LYS 381 N 0.27 1.08 0.06 2.24 3.64 -1.40 0.17 116.57 122.63 3ih6 h LYS 381 Ca 0.27 -0.22 -0.00 0.00 -1.27 0.00 0.00 60.65 59.43 3ih6 h LYS 381 Cb 0.37 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.03 3ih6 h LYS 381 CO -0.34 0.92 -0.03 2.35 -2.27 0.00 0.00 179.45 180.08 3ih6 h TRP 382 N 1.02 -0.07 -0.56 1.91 7.01 -0.85 -1.46 115.95 122.96 3ih6 h TRP 382 Ca 0.23 -0.00 -0.09 0.00 2.11 0.00 0.00 58.89 61.14 3ih6 h TRP 382 Cb 0.27 0.02 -0.02 0.00 -2.10 0.00 0.00 29.16 27.33 3ih6 h TRP 382 CO 0.02 0.22 -0.00 -0.07 -2.79 0.00 0.00 178.44 175.82 3ih6 h LEU 383 N -0.36 0.93 -0.62 0.65 3.38 -0.92 -0.06 115.31 118.32 3ih6 h LEU 383 Ca -0.01 -0.25 0.08 0.00 0.09 0.00 0.00 57.88 57.79 3ih6 h LEU 383 Cb 0.32 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 40.76 3ih6 h LEU 383 CO 0.01 0.99 0.29 0.74 0.09 0.00 0.00 178.44 180.56 3ih6 h THR 384 N 0.88 0.86 -0.45 0.22 2.02 -0.58 -0.60 112.91 115.26 3ih6 h THR 384 Ca 0.16 -0.18 -0.03 0.00 0.77 0.00 0.00 66.41 67.14 3ih6 h THR 384 Cb 0.52 0.30 -0.02 0.00 -1.74 0.00 0.00 68.15 67.21 3ih6 h THR 384 CO 0.03 0.09 0.18 0.00 0.37 0.00 0.00 175.52 176.19 3ih6 h ALA 385 N 1.37 0.59 -0.84 6.16 0.00 -0.76 -2.15 119.26 123.63 3ih6 h ALA 385 Ca 0.29 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 55.06 3ih6 h ALA 385 Cb 0.28 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 3ih6 h ALA 385 CO -0.24 0.19 0.55 2.35 0.00 0.00 0.00 179.25 182.11 3ih6 h TRP 386 N 0.59 1.06 -0.39 0.00 7.01 -0.70 -1.51 115.95 122.02 3ih6 h TRP 386 Ca 0.15 0.02 -0.11 0.00 2.11 0.00 0.00 58.89 61.06 3ih6 h TRP 386 Cb 0.19 -0.36 -0.01 0.00 -2.10 0.00 0.00 29.16 26.88 3ih6 h TRP 386 CO 0.00 0.67 -0.21 1.96 -2.79 0.00 0.00 178.44 178.07 3ih6 h GLN 387 N 1.14 0.76 -0.89 2.65 1.08 -1.03 -0.73 115.11 118.10 3ih6 h GLN 387 Ca 0.31 -0.30 -0.02 0.00 -1.45 0.00 0.00 58.65 57.19 3ih6 h GLN 387 Cb -0.13 -0.04 -0.04 0.00 -0.05 0.00 0.00 27.48 27.22 3ih6 h GLN 387 CO -0.07 0.91 0.48 1.96 -0.95 0.00 0.00 178.83 181.16 3ih6 h GLN 388 N 0.67 1.24 0.30 1.46 4.20 -0.99 -2.16 115.11 119.82 3ih6 h GLN 388 Ca 0.09 -0.15 -0.01 0.00 0.06 0.00 0.00 58.65 58.64 3ih6 h GLN 388 Cb 0.71 -0.24 0.00 0.00 0.30 0.00 0.00 27.48 28.26 3ih6 h GLN 388 CO 0.05 0.91 -0.14 1.15 -0.67 0.00 0.00 178.83 180.13 3ih6 h THR 389 N 1.24 0.72 -0.96 -0.54 2.02 -0.98 -3.23 112.91 111.18 3ih6 h THR 389 Ca 0.31 -0.09 0.15 0.00 0.77 0.00 0.00 66.41 67.56 3ih6 h THR 389 Cb 0.03 0.77 -0.09 0.00 -1.74 0.00 0.00 68.15 67.13 3ih6 h THR 389 CO -0.05 0.02 0.61 0.22 0.37 0.00 0.00 175.52 176.69 3ih6 h TYR 390 N -0.44 0.98 0.00 3.16 3.20 -1.00 -1.36 116.97 121.52 3ih6 h TYR 390 Ca -0.04 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.86 3ih6 h TYR 390 Cb 0.34 -0.31 0.00 0.00 1.54 0.00 0.00 36.73 38.30 3ih6 h TYR 390 CO -0.04 0.32 0.00 0.00 -1.64 0.00 0.00 178.16 176.80 3ih6 n ALA 391 N -2.38 1.71 -3.90 1.82 0.00 -0.82 -4.56 120.51 112.36 3ih6 n ALA 391 Ca 0.20 -0.02 -0.33 0.00 0.00 0.00 0.00 53.44 53.29 3ih6 n ALA 391 Cb 0.48 -1.29 -0.14 0.00 0.00 0.00 0.00 19.45 18.50 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 -3.35 4.83 0.51 0.00 -1.08 -0.51 -4.98 116.67 112.10 3ih6 s ASP 392 Ca 0.07 -1.80 0.22 0.00 -0.52 0.00 0.00 52.55 50.51 3ih6 s ASP 392 Cb 0.10 -1.67 1.31 0.00 -1.46 0.00 0.00 42.92 41.20 3ih6 s ASP 392 CO 0.32 -0.35 2.02 -0.65 0.52 0.00 0.00 175.17 177.02 3ih6 h PRO 393 N 7.81 0.07 -0.44 4.34 0.11 -1.81 0.33 132.00 142.42 3ih6 h PRO 393 Ca -0.12 -0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.87 3ih6 h PRO 393 Cb 1.04 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.12 3ih6 h PRO 393 CO 0.55 0.05 -0.16 0.93 -0.21 0.00 0.00 178.00 179.16 3ih6 h GLU 394 N 0.07 0.84 0.00 1.05 5.08 -1.93 -2.00 114.58 117.68 3ih6 h GLU 394 Ca 0.21 -0.31 -0.26 0.00 -1.00 0.00 0.00 59.36 58.00 3ih6 h GLU 394 Cb 0.76 -0.05 0.02 0.00 0.50 0.00 0.00 28.75 29.97 3ih6 h GLU 394 CO -0.02 0.94 -1.03 0.87 -1.00 0.00 0.00 179.01 178.77 3ih6 h LYS 395 N 0.74 0.65 -0.38 2.33 1.57 -0.65 -2.85 116.57 117.97 3ih6 h LYS 395 Ca 0.11 -0.70 0.04 0.00 -1.87 0.00 0.00 60.65 58.23 3ih6 h LYS 395 Cb 0.67 0.20 -0.04 0.00 0.08 0.00 0.00 32.23 33.14 3ih6 h LYS 395 CO 0.05 1.29 0.16 0.28 -0.57 0.00 0.00 179.45 180.66 3ih6 h VAL 396 N 0.36 0.93 -1.00 0.50 2.07 -1.09 0.14 116.25 118.16 3ih6 h VAL 396 Ca -0.12 -0.11 0.08 0.00 0.82 0.00 0.00 66.70 67.37 3ih6 h VAL 396 Cb 1.68 0.57 -0.07 0.00 -1.52 0.00 0.00 31.29 31.94 3ih6 h VAL 396 CO 0.20 0.06 0.64 1.23 0.02 0.00 0.00 177.57 179.72 3ih6 h GLY 397 N 0.33 1.56 0.90 2.17 0.00 -1.38 0.42 103.07 107.08 3ih6 h GLY 397 Ca 0.17 -0.46 -0.03 0.00 0.00 0.00 0.00 47.33 47.01 3ih6 h GLY 397 CO -0.15 0.28 0.07 -2.08 0.00 0.00 0.00 176.54 174.66 3ih6 h VAL 398 N 1.11 1.22 -0.50 4.60 2.07 -1.21 -2.08 116.25 121.46 3ih6 h VAL 398 Ca 0.45 -0.74 -0.10 0.00 0.82 0.00 0.00 66.70 67.14 3ih6 h VAL 398 Cb 0.27 1.12 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 3ih6 h VAL 398 CO -0.20 0.24 -0.08 0.00 0.02 0.00 0.00 177.57 177.55 3ih6 h ALA 399 N 0.90 0.91 0.25 1.67 0.00 0.16 -1.11 119.26 122.03 3ih6 h ALA 399 Ca 0.10 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 3ih6 h ALA 399 Cb 0.30 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3ih6 h ALA 399 CO 0.00 0.64 -0.12 -0.07 0.00 0.00 0.00 179.25 179.70 3ih6 h LEU 400 N 0.82 -0.28 -1.91 0.00 3.38 -0.21 -1.79 115.31 115.33 3ih6 h LEU 400 Ca 0.14 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3ih6 h LEU 400 Cb 0.60 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 3ih6 h LEU 400 CO 0.04 -0.00 0.07 0.77 0.09 0.00 0.00 178.44 179.41 3ih6 h SER 401 N -0.56 0.11 -0.36 -0.43 4.64 -1.24 0.69 113.55 116.39 3ih6 h SER 401 Ca -0.03 -0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.23 3ih6 h SER 401 Cb 0.41 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.46 3ih6 h SER 401 CO 0.06 0.08 0.03 -0.33 -0.87 0.00 0.00 176.83 175.79 3ih6 h GLU 402 N 0.13 0.62 -0.43 4.77 5.08 -1.14 -0.78 114.58 122.82 3ih6 h GLU 402 Ca 0.04 -0.18 0.07 0.00 -1.00 0.00 0.00 59.36 58.29 3ih6 h GLU 402 Cb 0.01 -0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.13 3ih6 h GLU 402 CO -0.01 0.71 0.07 0.00 -1.00 0.00 0.00 179.01 178.79 3ih6 h ALA 403 N 0.88 0.47 -0.50 3.43 0.00 -0.37 -0.53 119.26 122.65 3ih6 h ALA 403 Ca 0.11 0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.14 3ih6 h ALA 403 Cb 0.41 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 3ih6 h ALA 403 CO 0.01 -0.33 0.29 0.82 0.00 0.00 0.00 179.25 180.05 3ih6 h ILE 404 N 0.20 1.04 -0.39 0.00 2.04 -0.84 -1.41 117.51 118.16 3ih6 h ILE 404 Ca 0.21 -0.20 0.10 0.00 1.00 0.00 0.00 64.86 65.97 3ih6 h ILE 404 Cb 0.28 0.41 -0.02 0.00 -0.74 0.00 0.00 36.82 36.75 3ih6 h ILE 404 CO -0.29 0.11 0.27 0.00 0.00 0.00 0.00 178.15 178.24 3ih6 h ALA 405 N 1.23 2.27 -0.04 1.87 0.00 -0.73 0.14 119.26 124.00 3ih6 h ALA 405 Ca 0.20 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3ih6 h ALA 405 Cb 0.03 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3ih6 h ALA 405 CO -0.10 -0.37 0.00 0.43 0.00 0.00 0.00 179.25 179.21 3ih6 n SER 406 N -4.44 0.98 0.00 0.00 7.64 -0.24 -4.93 113.62 112.62 3ih6 n SER 406 Ca 0.06 -1.40 0.00 0.00 1.01 0.00 0.00 58.87 58.54 3ih6 n SER 406 Cb 0.41 -0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.59 3ih6 n SER 406 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3ih6 n GLY 407 N 1.08 0.96 3.15 0.23 0.00 0.50 -4.88 105.19 106.24 3ih6 n GLY 407 Ca 0.19 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.26 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 -2.12 -1.02 0.56 1.61 2.15 -0.57 -4.97 116.67 112.30 3ih6 s ASP 408 Ca 0.00 0.54 0.25 0.00 0.43 0.00 0.00 52.55 53.77 3ih6 s ASP 408 Cb 0.00 1.81 1.51 0.00 -0.30 0.00 0.00 42.92 45.95 3ih6 s ASP 408 CO 0.00 -0.19 2.11 4.11 -0.17 0.00 0.00 175.17 181.03 3ih6 h TRP 409 N 7.95 0.00 0.00 -5.34 5.08 -1.88 -1.82 115.95 119.95 3ih6 h TRP 409 Ca -0.16 0.00 -0.00 0.00 1.08 0.00 0.00 58.89 59.80 3ih6 h TRP 409 Cb 1.17 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.33 3ih6 h TRP 409 CO 0.09 0.00 -0.01 0.00 -1.28 0.00 0.00 178.44 177.24 3ih6 h ARG 410 N 0.00 0.00 -0.21 0.12 3.08 -1.94 -3.31 114.38 112.11 3ih6 h ARG 410 Ca 0.09 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.12 3ih6 h ARG 410 Cb 0.42 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.46 3ih6 h ARG 410 CO -0.00 0.01 0.04 -0.07 -1.07 0.00 0.00 179.97 178.88 3ih6 h LEU 411 N 0.00 0.27 -0.96 3.04 3.38 -1.65 0.14 115.31 119.53 3ih6 h LEU 411 Ca -0.00 -0.03 0.01 0.00 0.09 0.00 0.00 57.88 57.95 3ih6 h LEU 411 Cb 0.10 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 40.73 3ih6 h LEU 411 CO 0.00 0.28 0.64 0.15 0.09 0.00 0.00 178.44 179.60 3ih6 h PHE 412 N 0.30 1.21 0.14 1.13 3.57 -1.81 0.29 116.94 121.76 3ih6 h PHE 412 Ca 0.07 0.03 -0.35 0.00 3.53 0.00 0.00 57.97 61.26 3ih6 h PHE 412 Cb 0.13 -0.41 -0.01 0.00 2.79 0.00 0.00 35.95 38.46 3ih6 h PHE 412 CO 0.00 0.76 -1.80 0.74 -2.23 0.00 0.00 178.31 175.78 3ih6 h PHE 413 N 1.30 0.55 -0.69 0.41 0.04 -1.45 -3.32 116.94 113.77 3ih6 h PHE 413 Ca 0.35 -0.40 0.06 0.00 2.80 0.00 0.00 57.97 60.79 3ih6 h PHE 413 Cb -0.15 -0.02 -0.06 0.00 2.20 0.00 0.00 35.95 37.92 3ih6 h PHE 413 CO -0.00 1.62 0.38 1.25 -0.60 0.00 0.00 178.31 180.96 3ih6 h LEU 414 N 0.08 0.56 -0.69 1.54 5.85 -0.67 -1.54 115.31 120.44 3ih6 h LEU 414 Ca -0.35 0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.44 3ih6 h LEU 414 Cb 2.06 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 42.97 3ih6 h LEU 414 CO 0.14 0.35 0.42 1.56 -0.34 0.00 0.00 178.44 180.58 3ih6 h GLN 415 N 0.69 0.79 -0.56 1.25 1.08 -0.58 -0.91 115.11 116.87 3ih6 h GLN 415 Ca 0.31 -0.05 -0.02 0.00 -1.45 0.00 0.00 58.65 57.44 3ih6 h GLN 415 Cb 0.21 -0.18 -0.03 0.00 -0.05 0.00 0.00 27.48 27.44 3ih6 h GLN 415 CO -0.19 0.52 0.26 -0.09 -0.95 0.00 0.00 178.83 178.38 3ih6 h ARG 416 N 0.82 0.82 0.00 1.46 1.12 -1.57 -0.90 114.38 116.13 3ih6 h ARG 416 Ca 0.29 -0.13 -0.08 0.00 -1.11 0.00 0.00 59.98 58.95 3ih6 h ARG 416 Cb 0.06 -0.14 -0.01 0.00 -0.01 0.00 0.00 29.97 29.87 3ih6 h ARG 416 CO -0.13 0.68 -0.38 -0.44 -3.11 0.00 0.00 179.97 176.60 3ih6 h ASP 417 N 0.77 0.00 0.12 -3.80 3.32 -0.82 -0.17 116.42 115.84 3ih6 h ASP 417 Ca 0.19 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 57.00 3ih6 h ASP 417 Cb 0.14 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.70 3ih6 h ASP 417 CO -0.02 0.38 -0.94 0.03 -1.72 0.00 0.00 179.24 176.97 3ih6 h ARG 418 N 0.00 0.59 0.06 3.56 3.08 -0.83 -1.39 114.38 119.45 3ih6 h ARG 418 Ca -0.00 -0.59 -0.00 0.00 0.07 0.00 0.00 59.98 59.45 3ih6 h ARG 418 Cb 0.67 0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.88 3ih6 h ARG 418 CO 0.05 1.21 -0.03 0.28 -1.07 0.00 0.00 179.97 180.41 3ih6 h VAL 419 N 0.35 1.11 -0.61 2.04 2.07 -1.00 0.11 116.25 120.33 3ih6 h VAL 419 Ca -0.09 -0.55 0.13 0.00 0.82 0.00 0.00 66.70 67.01 3ih6 h VAL 419 Cb 1.57 1.47 -0.10 0.00 -1.52 0.00 0.00 31.29 32.71 3ih6 h VAL 419 CO 0.18 0.14 -0.02 -0.09 0.02 0.00 0.00 177.57 177.79 3ih6 h ARG 420 N -0.32 0.09 -0.11 1.57 2.43 -1.02 -1.24 114.38 115.79 3ih6 h ARG 420 Ca -0.01 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3ih6 h ARG 420 Cb 0.28 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.81 3ih6 h ARG 420 CO 0.01 0.06 0.00 0.39 -1.51 0.00 0.00 179.97 178.92 3ih6 n GLU 421 N -5.30 1.62 -1.69 0.20 -0.58 -0.53 -4.98 120.64 109.38 3ih6 n GLU 421 Ca 0.08 -0.93 -0.44 0.00 -0.42 0.00 0.00 57.16 55.46 3ih6 n GLU 421 Cb 0.35 -1.41 -0.03 0.00 -0.57 0.00 0.00 31.44 29.77 3ih6 n GLU 421 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3ih6 n ALA 422 N 0.14 2.14 -2.87 0.62 0.00 0.38 -5.00 120.51 115.92 3ih6 n ALA 422 Ca 0.17 0.39 -0.32 0.00 0.00 0.00 0.00 53.44 53.68 3ih6 n ALA 422 Cb 0.30 -2.49 -0.05 0.00 0.00 0.00 0.00 19.45 17.21 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 1.64 3.27 0.18 0.00 -0.14 -1.26 -5.04 119.74 118.39 3ih6 s LYS 423 Ca 0.79 -0.46 -0.13 0.00 -1.36 0.00 0.00 55.97 54.80 3ih6 s LYS 423 Cb -0.56 -2.97 0.14 0.00 -1.68 0.00 0.00 37.83 32.77 3ih6 s LYS 423 CO 0.36 0.62 1.77 1.25 -0.76 0.00 0.00 175.35 178.59 3ih6 h LEU 424 N 3.48 0.26 -0.98 3.17 5.85 -1.98 -1.09 115.31 124.03 3ih6 h LEU 424 Ca -0.47 0.04 0.31 0.00 0.84 0.00 0.00 57.88 58.60 3ih6 h LEU 424 Cb 1.17 0.00 -0.15 0.00 0.37 0.00 0.00 40.66 42.05 3ih6 h LEU 424 CO 0.70 0.19 0.48 0.44 -0.34 0.00 0.00 178.44 179.90 3ih6 h ASP 425 N 0.41 0.35 0.40 1.25 5.19 -1.96 -0.41 116.42 121.65 3ih6 h ASP 425 Ca 0.22 0.20 -0.30 0.00 -0.62 0.00 0.00 57.03 56.53 3ih6 h ASP 425 Cb 0.18 0.19 0.02 0.00 0.18 0.00 0.00 39.33 39.91 3ih6 h ASP 425 CO -0.19 -0.18 -1.34 0.44 -3.12 0.00 0.00 179.24 174.85 3ih6 h ASP 426 N 0.26 0.67 -0.32 6.45 3.32 -1.63 -2.71 116.42 122.47 3ih6 h ASP 426 Ca 0.70 -0.70 -0.07 0.00 0.02 0.00 0.00 57.03 56.99 3ih6 h ASP 426 Cb 1.59 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.91 3ih6 h ASP 426 CO -0.64 1.54 -0.06 0.58 -1.72 0.00 0.00 179.24 178.94 3ih6 h VAL 427 N 0.14 1.28 -0.19 -1.35 2.07 -1.02 -2.33 116.25 114.84 3ih6 h VAL 427 Ca -0.19 -1.09 0.00 0.00 0.82 0.00 0.00 66.70 66.24 3ih6 h VAL 427 Cb 2.04 1.33 -0.01 0.00 -1.52 0.00 0.00 31.29 33.13 3ih6 h VAL 427 CO 0.24 0.35 0.13 -0.61 0.02 0.00 0.00 177.57 177.70 3ih6 h GLN 428 N 0.39 0.25 -0.77 1.57 5.75 -1.17 -2.42 115.11 118.71 3ih6 h GLN 428 Ca 0.08 -0.02 -0.04 0.00 -0.15 0.00 0.00 58.65 58.52 3ih6 h GLN 428 Cb 0.54 -0.06 -0.03 0.00 1.07 0.00 0.00 27.48 29.00 3ih6 h GLN 428 CO 0.03 0.17 0.30 -0.09 -2.65 0.00 0.00 178.83 176.59 3ih6 h ARG 429 N 0.26 1.15 -0.23 1.69 2.43 -1.52 -1.99 114.38 116.17 3ih6 h ARG 429 Ca 0.07 -0.21 -0.05 0.00 -0.81 0.00 0.00 59.98 58.99 3ih6 h ARG 429 Cb -0.03 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.33 3ih6 h ARG 429 CO -0.02 0.93 -0.04 0.00 -1.51 0.00 0.00 179.97 179.34 3ih6 h ALA 430 N 1.16 0.32 -0.59 2.80 0.00 -1.26 0.76 119.26 122.43 3ih6 h ALA 430 Ca 0.26 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 3ih6 h ALA 430 Cb 0.22 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3ih6 h ALA 430 CO -0.02 0.08 0.23 0.00 0.00 0.00 0.00 179.25 179.55 3ih6 h ALA 431 N 0.77 0.77 -0.56 0.00 0.00 -1.44 -1.39 119.26 117.42 3ih6 h ALA 431 Ca 0.06 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 3ih6 h ALA 431 Cb 0.48 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3ih6 h ALA 431 CO 0.02 0.39 0.11 0.28 0.00 0.00 0.00 179.25 180.05 3ih6 h VAL 432 N 0.82 1.25 -0.22 0.00 2.07 -1.17 0.25 116.25 119.25 3ih6 h VAL 432 Ca 0.20 -0.93 -0.10 0.00 0.82 0.00 0.00 66.70 66.68 3ih6 h VAL 432 Cb 0.21 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 3ih6 h VAL 432 CO -0.02 0.34 -0.32 0.00 0.02 0.00 0.00 177.57 177.60 3ih6 h ALA 433 N 1.00 1.06 0.00 1.67 0.00 -0.63 -3.35 119.26 119.01 3ih6 h ALA 433 Ca 0.17 -0.38 -0.22 0.00 0.00 0.00 0.00 54.91 54.48 3ih6 h ALA 433 Cb 0.38 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 3ih6 h ALA 433 CO 0.01 0.58 -2.22 0.66 0.00 0.00 0.00 179.25 178.27 3ih6 n TYR 434 N -4.08 0.00 -2.75 0.00 4.02 -0.54 -4.60 117.16 109.21 3ih6 n TYR 434 Ca -0.01 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.45 3ih6 n TYR 434 Cb 0.44 -0.80 0.00 0.00 -0.02 0.00 0.00 39.34 38.97 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 -2.55 5.93 -4.25 7.72 4.77 0.85 -4.73 117.00 124.74 3ih6 n LEU 435 Ca -0.21 -4.66 -0.18 0.00 -0.03 0.00 0.00 56.01 50.92 3ih6 n LEU 435 Cb 0.92 -1.52 -0.11 0.00 -2.33 0.00 0.00 43.42 40.38 3ih6 n LEU 435 CO 0.44 1.13 -0.45 0.68 -1.33 0.00 0.00 177.39 177.86 3ih6 s VAL 436 N 0.41 1.37 0.36 4.08 -7.23 -1.26 -4.23 120.40 113.91 3ih6 s VAL 436 Ca 0.39 -1.73 0.11 0.00 -1.81 0.00 0.00 61.98 58.95 3ih6 s VAL 436 Cb 0.02 -1.55 0.34 0.00 0.56 0.00 0.00 36.38 35.75 3ih6 s VAL 436 CO 0.01 -0.40 1.84 -0.09 -0.31 0.00 0.00 175.10 176.14 3ih6 h ARG 437 N 3.51 0.59 0.00 4.82 2.43 -1.94 0.23 114.38 124.01 3ih6 h ARG 437 Ca -0.40 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.73 3ih6 h ARG 437 Cb 1.20 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.61 3ih6 h ARG 437 CO 0.50 0.39 0.00 -1.13 -1.51 0.00 0.00 179.97 178.22 3ih6 n SER 438 N -4.60 0.68 -1.26 -3.80 3.41 -1.26 -2.11 113.62 104.69 3ih6 n SER 438 Ca 0.20 0.64 0.08 0.00 -0.26 0.00 0.00 58.87 59.53 3ih6 n SER 438 Cb 0.59 -0.80 0.31 0.00 -0.26 0.00 0.00 64.21 64.06 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 -2.22 4.56 -4.29 4.04 5.15 0.05 -5.00 115.26 117.55 3ih6 n ASN 439 Ca 0.03 -2.97 -0.33 0.00 -0.60 0.00 0.00 54.58 50.70 3ih6 n ASN 439 Cb 0.27 -0.59 -0.15 0.00 -0.53 0.00 0.00 39.78 38.77 3ih6 n ASN 439 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 3ih6 s ARG 440 N -2.78 3.25 -0.18 1.20 3.52 -0.90 -3.53 118.95 119.53 3ih6 s ARG 440 Ca 0.47 -0.74 0.01 0.00 -0.13 0.00 0.00 55.73 55.33 3ih6 s ARG 440 Cb 0.37 -2.61 0.02 0.00 -1.56 0.00 0.00 34.95 31.16 3ih6 s ARG 440 CO 0.12 0.07 -0.19 0.99 -0.81 0.00 0.00 175.30 175.48 3ih6 s THR 441 N 0.68 2.17 0.25 4.11 2.01 -1.26 -5.00 115.64 118.60 3ih6 s THR 441 Ca -0.07 -0.91 -0.11 0.00 0.31 0.00 0.00 61.69 60.90 3ih6 s THR 441 Cb -0.16 -1.92 -0.08 0.00 0.01 0.00 0.00 72.50 70.36 3ih6 s THR 441 CO 0.02 0.52 0.60 -1.61 -0.69 0.00 0.00 174.62 173.46 3ih6 s GLU 442 N 1.30 3.87 -0.02 4.92 2.02 -1.26 -4.19 118.70 125.35 3ih6 s GLU 442 Ca 0.05 0.40 -0.05 0.00 0.02 0.00 0.00 54.97 55.39 3ih6 s GLU 442 Cb -0.13 -2.61 0.00 0.00 0.10 0.00 0.00 34.13 31.49 3ih6 s GLU 442 CO -0.12 0.28 0.10 0.20 0.02 0.00 0.00 175.26 175.75 3ih6 s GLY 443 N -2.29 0.00 -0.02 -1.39 0.00 0.60 -4.97 107.32 99.26 3ih6 s GLY 443 Ca 0.49 0.04 0.07 0.00 0.00 0.00 0.00 44.72 45.32 3ih6 s GLY 443 CO 0.20 -0.04 -0.23 0.50 0.00 0.00 0.00 173.10 173.53 3ih6 s ARG 444 N -0.64 1.91 -0.24 2.90 0.52 -1.26 -0.68 118.95 121.46 3ih6 s ARG 444 Ca -0.07 -0.83 0.02 0.00 -0.52 0.00 0.00 55.73 54.32 3ih6 s ARG 444 Cb -0.04 -1.83 0.06 0.00 0.52 0.00 0.00 34.95 33.65 3ih6 s ARG 444 CO 0.00 0.49 -0.09 -0.47 0.02 0.00 0.00 175.30 175.26 3ih6 s TYR 445 N -0.52 2.79 -0.32 -0.53 5.04 0.15 -4.99 117.35 118.98 3ih6 s TYR 445 Ca 0.08 -1.98 0.01 0.00 -2.44 0.00 0.00 57.07 52.74 3ih6 s TYR 445 Cb -0.09 -1.75 0.08 0.00 0.35 0.00 0.00 41.96 40.54 3ih6 s TYR 445 CO -0.01 -0.82 0.02 -1.50 -1.34 0.00 0.00 175.55 171.90 3ih6 s ILE 446 N 1.26 2.64 0.00 3.14 1.10 -1.26 -0.38 121.20 127.71 3ih6 s ILE 446 Ca -0.06 -1.80 -0.35 0.00 -0.51 0.00 0.00 60.65 57.92 3ih6 s ILE 446 Cb -0.19 -2.68 -0.14 0.00 0.15 0.00 0.00 42.46 39.60 3ih6 s ILE 446 CO -0.06 -0.31 1.69 -2.65 -2.11 0.00 0.00 174.94 171.50 3ih6 n PRO 447 N 4.47 1.92 0.00 3.50 -0.02 -1.26 -5.06 135.00 138.55 3ih6 n PRO 447 Ca -0.07 0.70 0.09 0.00 -2.02 0.00 0.00 63.50 62.19 3ih6 n PRO 447 Cb 0.42 -2.47 0.07 0.00 -0.02 0.00 0.00 33.50 31.50 3ih6 n PRO 447 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73