#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 1.22 -0.02 4.04 0.01 -1.26 -1.77 114.94 117.16 3ih6 s ASN 256 Ca 0.00 0.05 0.01 0.00 -0.71 0.00 0.00 52.86 52.21 3ih6 s ASN 256 Cb 0.00 -0.20 0.01 0.00 0.41 0.00 0.00 41.25 41.48 3ih6 s ASN 256 CO 0.00 -0.24 -0.02 0.00 -1.51 0.00 0.00 177.10 175.33 3ih6 s ALA 257 N 2.13 0.32 -0.24 0.60 0.00 0.02 -5.00 121.76 119.60 3ih6 s ALA 257 Ca 0.05 -0.00 -0.03 0.00 0.00 0.00 0.00 51.96 51.98 3ih6 s ALA 257 Cb -0.12 -0.20 0.12 0.00 0.00 0.00 0.00 23.12 22.92 3ih6 s ALA 257 CO -0.03 0.01 0.30 -0.47 0.00 0.00 0.00 175.76 175.56 3ih6 s TYR 258 N 0.45 -0.55 -0.18 0.00 6.14 -1.26 -0.90 117.35 121.05 3ih6 s TYR 258 Ca -0.05 0.41 0.01 0.00 0.64 0.00 0.00 57.07 58.08 3ih6 s TYR 258 Cb -0.08 -0.22 0.02 0.00 0.42 0.00 0.00 41.96 42.11 3ih6 s TYR 258 CO -0.01 -0.71 -0.20 0.99 0.64 0.00 0.00 175.55 176.26 3ih6 s THR 259 N 2.43 2.06 -0.00 4.34 2.01 0.11 -4.95 115.64 121.64 3ih6 s THR 259 Ca 0.10 -0.95 0.07 0.00 0.31 0.00 0.00 61.69 61.21 3ih6 s THR 259 Cb -0.15 -1.87 -0.03 0.00 0.01 0.00 0.00 72.50 70.46 3ih6 s THR 259 CO -0.17 0.53 -0.21 0.54 -0.69 0.00 0.00 174.62 174.62 3ih6 s VAL 260 N 1.29 2.53 0.63 3.82 0.11 -1.26 -0.45 120.40 127.06 3ih6 s VAL 260 Ca 0.05 -1.07 -0.18 0.00 -2.93 0.00 0.00 61.98 57.85 3ih6 s VAL 260 Cb -0.13 -1.98 -0.02 0.00 -1.53 0.00 0.00 36.38 32.72 3ih6 s VAL 260 CO -0.13 0.49 1.24 -1.83 -3.33 0.00 0.00 175.10 171.53 3ih6 s GLU 261 N -0.96 2.73 0.25 1.54 -1.05 -0.84 -4.93 118.70 115.45 3ih6 s GLU 261 Ca 0.12 1.89 -0.04 0.00 -0.15 0.00 0.00 54.97 56.79 3ih6 s GLU 261 Cb -0.10 -1.89 0.36 0.00 -0.44 0.00 0.00 34.13 32.06 3ih6 s GLU 261 CO 0.02 -1.41 1.87 -1.35 0.95 0.00 0.00 175.26 175.34 3ih6 h PRO 262 N 0.62 1.07 -6.24 -4.83 0.11 -1.99 -3.50 132.00 117.24 3ih6 h PRO 262 Ca -0.50 -0.06 -0.57 0.00 0.11 0.00 0.00 66.00 64.98 3ih6 h PRO 262 Cb 1.31 -0.24 -0.04 0.00 0.11 0.00 0.00 31.00 32.14 3ih6 h PRO 262 CO 0.54 0.71 0.96 0.08 -0.21 0.00 0.00 178.00 180.08 3ih6 s VAL 263 N -6.05 4.13 -0.30 3.15 1.01 -1.26 -5.26 120.40 115.81 3ih6 s VAL 263 Ca -0.13 1.32 -0.12 0.00 0.00 0.00 0.00 61.98 63.06 3ih6 s VAL 263 Cb 0.19 -4.00 0.18 0.00 0.00 0.00 0.00 36.38 32.75 3ih6 s VAL 263 CO 0.80 -0.28 1.02 -0.89 0.00 0.00 0.00 175.10 175.76 3ih6 s THR 278 N 4.04 -0.35 0.48 3.92 2.01 -1.26 -5.17 115.64 119.32 3ih6 s THR 278 Ca 0.58 0.00 -0.23 0.00 0.31 0.00 0.00 61.69 62.35 3ih6 s THR 278 Cb -0.21 -0.80 -0.07 0.00 0.01 0.00 0.00 72.50 71.44 3ih6 s THR 278 CO 0.20 0.00 1.23 -2.16 -0.69 0.00 0.00 174.62 173.20 3ih6 s PRO 279 N 2.95 3.58 -0.06 4.92 0.04 -1.25 -4.81 135.00 140.36 3ih6 s PRO 279 Ca 0.07 1.93 -0.06 0.00 0.04 0.00 0.00 61.00 62.99 3ih6 s PRO 279 Cb -0.08 -2.38 0.02 0.00 0.04 0.00 0.00 34.50 32.10 3ih6 s PRO 279 CO -0.15 -0.74 0.16 -0.51 0.04 0.00 0.00 177.00 175.80 3ih6 s LEU 280 N -3.15 1.38 0.11 -3.56 1.02 -0.63 -0.30 118.68 113.54 3ih6 s LEU 280 Ca 0.66 0.32 0.05 0.00 0.02 0.00 0.00 54.13 55.18 3ih6 s LEU 280 Cb -0.33 0.55 -0.04 0.00 0.02 0.00 0.00 46.19 46.39 3ih6 s LEU 280 CO 0.39 -0.06 -0.01 0.68 0.02 0.00 0.00 176.35 177.38 3ih6 s VAL 281 N 0.10 3.92 0.04 -1.59 -7.23 -0.72 0.27 120.40 115.18 3ih6 s VAL 281 Ca -0.00 -1.08 -0.02 0.00 -1.81 0.00 0.00 61.98 59.07 3ih6 s VAL 281 Cb -0.01 -2.88 -0.03 0.00 0.56 0.00 0.00 36.38 34.02 3ih6 s VAL 281 CO 0.00 0.08 0.01 0.00 -0.31 0.00 0.00 175.10 174.88 3ih6 s ALA 282 N -1.37 0.27 0.26 1.32 0.00 -0.15 -1.79 121.76 120.30 3ih6 s ALA 282 Ca 0.26 -0.90 0.03 0.00 0.00 0.00 0.00 51.96 51.34 3ih6 s ALA 282 Cb -0.11 0.25 -0.04 0.00 0.00 0.00 0.00 23.12 23.22 3ih6 s ALA 282 CO 0.18 -0.32 0.19 0.00 0.00 0.00 0.00 175.76 175.81 3ih6 s ALA 283 N -3.08 1.49 0.00 0.00 0.00 0.11 -0.47 121.76 119.81 3ih6 s ALA 283 Ca -0.01 -1.85 0.00 0.00 0.00 0.00 0.00 51.96 50.10 3ih6 s ALA 283 Cb 0.02 1.41 0.00 0.00 0.00 0.00 0.00 23.12 24.55 3ih6 s ALA 283 CO -0.07 -0.61 0.00 0.66 0.00 0.00 0.00 175.76 175.74 3ih6 n TYR 285 N -0.43 0.00 -2.22 0.00 4.01 0.08 -0.59 117.16 118.01 3ih6 n TYR 285 Ca 0.04 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.37 3ih6 n TYR 285 Cb 0.64 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.65 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 -0.75 3.24 0.42 -0.72 3.76 -1.25 -0.04 115.29 119.95 3ih6 s HIS 286 Ca 0.00 1.37 -0.08 0.00 -0.15 0.00 0.00 55.06 56.21 3ih6 s HIS 286 Cb 0.00 -3.58 -0.05 0.00 1.11 0.00 0.00 32.58 30.06 3ih6 s HIS 286 CO 0.00 -1.65 0.75 -0.51 -0.85 0.00 0.00 174.74 172.48 3ih6 s LEU 287 N -0.95 3.78 0.00 0.89 1.43 -0.24 -4.82 118.68 118.77 3ih6 s LEU 287 Ca 0.52 0.99 -0.11 0.00 -1.03 0.00 0.00 54.13 54.50 3ih6 s LEU 287 Cb -0.37 -3.90 0.16 0.00 0.03 0.00 0.00 46.19 42.12 3ih6 s LEU 287 CO 0.44 -0.45 0.78 -0.81 0.23 0.00 0.00 176.35 176.54 3ih6 n PRO 288 N -1.65 -1.41 -1.66 1.29 -0.04 -1.26 -4.82 135.00 125.45 3ih6 n PRO 288 Ca 0.01 -1.21 -0.50 0.00 -0.04 0.00 0.00 63.50 61.76 3ih6 n PRO 288 Cb 0.54 -0.92 -0.05 0.00 -0.04 0.00 0.00 33.50 33.03 3ih6 n PRO 288 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3ih6 n ALA 289 N -3.78 0.44 -0.33 0.55 0.00 -1.26 -4.85 120.51 111.28 3ih6 n ALA 289 Ca -0.13 0.43 0.26 0.00 0.00 0.00 0.00 53.44 53.99 3ih6 n ALA 289 Cb 0.36 -2.29 0.50 0.00 0.00 0.00 0.00 19.45 18.02 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 6.37 1.96 -0.31 0.00 0.00 -1.94 -1.33 119.26 124.01 3ih6 h ALA 290 Ca -0.47 0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3ih6 h ALA 290 Cb 1.29 0.23 0.00 0.00 0.00 0.00 0.00 17.79 19.31 3ih6 h ALA 290 CO 0.88 -0.69 0.00 0.41 0.00 0.00 0.00 179.25 179.85 3ih6 n GLY 291 N -1.29 0.99 3.98 0.00 0.00 -1.26 -4.77 105.19 102.83 3ih6 n GLY 291 Ca 0.33 -0.38 -0.20 0.00 0.00 0.00 0.00 46.02 45.77 3ih6 n GLY 291 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ih6 s SER 292 N -0.83 6.09 0.30 1.61 1.04 -0.50 -5.00 113.70 116.41 3ih6 s SER 292 Ca 0.23 -0.03 -0.01 0.00 0.48 0.00 0.00 55.95 56.62 3ih6 s SER 292 Cb 0.13 -1.51 0.47 0.00 0.10 0.00 0.00 66.02 65.22 3ih6 s SER 292 CO 0.13 -0.33 1.97 -0.65 0.98 0.00 0.00 173.24 175.34 3ih6 h PRO 293 N 0.93 1.05 -0.26 4.02 0.11 -1.93 -3.10 132.00 132.84 3ih6 h PRO 293 Ca -0.48 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 65.54 3ih6 h PRO 293 Cb 1.25 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 32.10 3ih6 h PRO 293 CO 0.56 0.70 0.03 -0.44 -0.21 0.00 0.00 178.00 178.64 3ih6 h ASP 294 N 1.08 0.34 -0.24 -2.05 3.32 -1.91 0.00 116.42 116.97 3ih6 h ASP 294 Ca 0.31 -0.04 -0.07 0.00 0.02 0.00 0.00 57.03 57.25 3ih6 h ASP 294 Cb -0.08 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.38 3ih6 h ASP 294 CO -0.08 0.37 -0.12 0.15 -1.72 0.00 0.00 179.24 177.85 3ih6 h PHE 295 N 0.37 0.58 -0.34 4.55 3.57 -1.75 -0.77 116.94 123.14 3ih6 h PHE 295 Ca 0.09 -0.14 -0.17 0.00 3.53 0.00 0.00 57.97 61.27 3ih6 h PHE 295 Cb 0.19 -0.13 -0.00 0.00 2.79 0.00 0.00 35.95 38.80 3ih6 h PHE 295 CO 0.00 0.77 -0.46 0.28 -2.23 0.00 0.00 178.31 176.68 3ih6 h VAL 296 N 0.22 1.27 -0.71 1.41 2.07 -1.53 -1.38 116.25 117.59 3ih6 h VAL 296 Ca 0.05 -1.64 0.11 0.00 0.82 0.00 0.00 66.70 66.05 3ih6 h VAL 296 Cb 0.62 1.49 -0.13 0.00 -1.52 0.00 0.00 31.29 31.76 3ih6 h VAL 296 CO 0.04 0.54 -0.38 1.23 0.02 0.00 0.00 177.57 179.02 3ih6 h GLY 297 N 0.75 -0.16 2.00 2.17 0.00 -0.82 -0.35 103.07 106.66 3ih6 h GLY 297 Ca 0.04 0.50 -0.12 0.00 0.00 0.00 0.00 47.33 47.75 3ih6 h GLY 297 CO 0.11 -0.19 -0.57 1.41 0.00 0.00 0.00 176.54 177.30 3ih6 h LEU 298 N -0.13 0.00 0.35 3.11 3.38 -0.82 0.18 115.31 121.38 3ih6 h LEU 298 Ca 0.25 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.21 3ih6 h LEU 298 Cb 0.56 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.31 3ih6 h LEU 298 CO -0.78 0.57 -0.20 -0.78 0.09 0.00 0.00 178.44 177.34 3ih6 h ASP 299 N 0.00 -0.49 -0.66 -0.43 1.82 -0.87 -0.04 116.42 115.75 3ih6 h ASP 299 Ca -0.01 0.03 -0.01 0.00 -0.39 0.00 0.00 57.03 56.65 3ih6 h ASP 299 Cb 1.19 0.14 -0.03 0.00 0.68 0.00 0.00 39.33 41.31 3ih6 h ASP 299 CO 0.07 -0.32 0.39 -0.07 -1.61 0.00 0.00 179.24 177.70 3ih6 h LEU 300 N -0.51 0.80 -0.65 2.28 3.38 -0.85 -3.13 115.31 116.62 3ih6 h LEU 300 Ca -0.04 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 3ih6 h LEU 300 Cb 0.42 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 3ih6 h LEU 300 CO 0.05 0.63 0.34 0.00 0.09 0.00 0.00 178.44 179.55 3ih6 h ALA 301 N 1.20 0.83 -0.76 1.53 0.00 -0.49 -2.38 119.26 119.19 3ih6 h ALA 301 Ca 0.24 -0.12 0.14 0.00 0.00 0.00 0.00 54.91 55.16 3ih6 h ALA 301 Cb -0.01 -0.26 -0.09 0.00 0.00 0.00 0.00 17.79 17.43 3ih6 h ALA 301 CO -0.04 0.36 0.32 0.00 0.00 0.00 0.00 179.25 179.89 3ih6 h ALA 302 N 1.16 1.07 -0.46 0.00 0.00 -0.95 0.14 119.26 120.22 3ih6 h ALA 302 Ca 0.23 0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.27 3ih6 h ALA 302 Cb 0.07 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3ih6 h ALA 302 CO -0.03 -0.18 0.25 1.15 0.00 0.00 0.00 179.25 180.44 3ih6 h THR 303 N 0.48 1.01 -0.43 0.00 2.02 -1.41 0.40 112.91 114.97 3ih6 h THR 303 Ca 0.41 -0.17 -0.08 0.00 0.77 0.00 0.00 66.41 67.34 3ih6 h THR 303 Cb 0.59 0.46 -0.02 0.00 -1.74 0.00 0.00 68.15 67.45 3ih6 h THR 303 CO -0.38 0.09 -0.04 0.40 0.37 0.00 0.00 175.52 175.96 3ih6 h ILE 304 N 0.50 1.24 0.02 3.11 2.04 -0.92 0.19 117.51 123.69 3ih6 h ILE 304 Ca 0.19 -1.03 -0.20 0.00 1.00 0.00 0.00 64.86 64.82 3ih6 h ILE 304 Cb 0.06 0.96 -0.02 0.00 -0.74 0.00 0.00 36.82 37.07 3ih6 h ILE 304 CO -0.11 0.36 -0.94 -0.07 0.00 0.00 0.00 178.15 177.38 3ih6 h LEU 305 N 0.68 0.11 0.00 1.44 3.38 -0.52 -2.93 115.31 117.47 3ih6 h LEU 305 Ca 0.13 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3ih6 h LEU 305 Cb 0.48 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.20 3ih6 h LEU 305 CO 0.02 0.99 -0.56 0.00 0.09 0.00 0.00 178.44 178.98 3ih6 n ALA 306 N -2.41 1.57 -2.72 1.53 0.00 0.11 -1.59 120.51 117.00 3ih6 n ALA 306 Ca -0.02 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.04 3ih6 n ALA 306 Cb 0.87 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 20.26 3ih6 n ALA 306 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3ih6 s ASP 307 N -1.35 6.66 0.21 0.00 2.15 0.64 -4.39 116.67 120.59 3ih6 s ASP 307 Ca 0.00 0.78 0.00 0.00 0.43 0.00 0.00 52.55 53.76 3ih6 s ASP 307 Cb 0.00 -2.28 0.00 0.00 -0.30 0.00 0.00 42.92 40.34 3ih6 s ASP 307 CO 0.00 0.01 0.00 0.35 -0.17 0.00 0.00 175.17 175.36 3ih6 n THR 308 N 3.66 -0.25 0.37 1.71 -2.24 -1.26 -3.80 114.28 112.46 3ih6 n THR 308 Ca -0.08 0.30 0.05 0.00 -2.27 0.00 0.00 64.05 62.05 3ih6 n THR 308 Cb 0.52 -0.47 0.23 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 -2.92 0.00 0.00 -0.78 -0.02 -1.26 -1.72 135.00 128.30 3ih6 n PRO 309 Ca -0.03 0.32 0.13 0.00 -2.02 0.00 0.00 63.50 61.90 3ih6 n PRO 309 Cb 0.24 -1.50 0.62 0.00 -0.02 0.00 0.00 33.50 32.85 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 -1.50 0.00 -4.75 2.55 7.64 -1.26 -4.14 113.62 112.16 3ih6 n SER 310 Ca 0.03 0.25 -0.29 0.00 1.01 0.00 0.00 58.87 59.86 3ih6 n SER 310 Cb 0.12 -0.41 0.14 0.00 -1.01 0.00 0.00 64.21 63.05 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 -2.82 3.40 0.06 6.43 1.04 -0.70 -4.83 113.70 116.28 3ih6 s SER 311 Ca 0.18 0.95 -0.17 0.00 0.48 0.00 0.00 55.95 57.39 3ih6 s SER 311 Cb 0.18 -1.51 -0.14 0.00 0.10 0.00 0.00 66.02 64.65 3ih6 s SER 311 CO 0.46 -2.62 1.31 0.03 0.98 0.00 0.00 173.24 173.41 3ih6 h ARG 312 N -1.54 0.56 -0.10 4.02 2.47 -1.31 -2.38 114.38 116.09 3ih6 h ARG 312 Ca -0.50 -0.37 -0.16 0.00 -1.26 0.00 0.00 59.98 57.69 3ih6 h ARG 312 Cb 1.33 0.05 0.01 0.00 -1.65 0.00 0.00 29.97 29.71 3ih6 h ARG 312 CO 0.61 0.98 -0.55 -0.07 0.56 0.00 0.00 179.97 181.50 3ih6 h LEU 313 N 0.21 0.65 0.20 3.04 3.38 -1.60 -0.88 115.31 120.31 3ih6 h LEU 313 Ca 0.00 -0.65 0.01 0.00 0.09 0.00 0.00 57.88 57.33 3ih6 h LEU 313 Cb 0.97 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.51 3ih6 h LEU 313 CO 0.08 1.20 -0.22 0.22 0.09 0.00 0.00 178.44 179.81 3ih6 h TYR 314 N 0.15 -0.58 -0.85 1.13 3.20 -1.77 0.19 116.97 118.44 3ih6 h TYR 314 Ca -0.04 0.00 0.12 0.00 3.14 0.00 0.00 58.73 61.96 3ih6 h TYR 314 Cb 1.19 0.23 -0.06 0.00 1.54 0.00 0.00 36.73 39.63 3ih6 h TYR 314 CO 0.11 -0.32 0.55 1.25 -1.64 0.00 0.00 178.16 178.11 3ih6 h HIS 315 N -0.46 0.80 0.00 -3.82 2.76 -1.46 -0.29 115.15 112.68 3ih6 h HIS 315 Ca 0.00 0.02 -0.08 0.00 -2.20 0.00 0.00 60.37 58.12 3ih6 h HIS 315 Cb 0.44 -0.25 -0.01 0.00 1.55 0.00 0.00 27.41 29.13 3ih6 h HIS 315 CO -0.16 0.33 -0.37 0.00 -1.30 0.00 0.00 177.93 176.43 3ih6 h ALA 316 N 1.60 0.79 0.00 5.26 0.00 -0.32 -3.41 119.26 123.18 3ih6 h ALA 316 Ca 0.42 -0.33 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 3ih6 h ALA 316 Cb 0.62 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 3ih6 h ALA 316 CO -0.18 0.46 -1.34 1.28 0.00 0.00 0.00 179.25 179.48 3ih6 n LEU 317 N -3.24 1.01 -0.09 0.00 4.77 0.60 -4.73 117.00 115.33 3ih6 n LEU 317 Ca 0.02 -0.01 -0.11 0.00 -0.03 0.00 0.00 56.01 55.87 3ih6 n LEU 317 Cb 0.65 0.01 -0.05 0.00 -2.33 0.00 0.00 43.42 41.69 3ih6 n LEU 317 CO 0.38 0.28 -0.55 0.52 -1.33 0.00 0.00 177.39 176.69 3ih6 n VAL 318 N -2.35 1.47 -0.06 4.08 0.31 -0.20 -0.71 118.33 120.87 3ih6 n VAL 318 Ca -0.09 0.09 0.25 0.00 -0.01 0.00 0.00 64.34 64.59 3ih6 n VAL 318 Cb 0.64 -2.26 0.71 0.00 -0.91 0.00 0.00 33.84 32.02 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 0.00 -0.58 5.55 0.13 -1.81 0.25 132.00 134.54 3ih6 h PRO 319 Ca -0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.99 3ih6 h PRO 319 Cb 0.88 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.01 3ih6 h PRO 319 CO -0.08 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 177.94 3ih6 n THR 320 N -3.93 0.91 -1.13 1.56 -2.24 -1.25 -4.95 114.28 103.25 3ih6 n THR 320 Ca 0.14 -0.80 -0.04 0.00 -2.27 0.00 0.00 64.05 61.08 3ih6 n THR 320 Cb 0.85 0.30 -0.02 0.00 -2.10 0.00 0.00 70.33 69.36 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 1.09 -1.45 0.18 -0.78 0.00 0.88 -4.84 118.16 113.23 3ih6 n LYS 321 Ca 0.19 0.58 0.12 0.00 -0.00 0.00 0.00 58.31 59.20 3ih6 n LYS 321 Cb 0.54 -4.76 0.18 0.00 -0.00 0.00 0.00 35.03 30.99 3ih6 n LYS 321 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 3ih6 h LEU 322 N 0.00 0.00 -7.47 -5.58 3.38 -1.13 -3.47 115.31 101.03 3ih6 h LEU 322 Ca -0.09 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.77 3ih6 h LEU 322 Cb 0.86 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 41.43 3ih6 h LEU 322 CO 0.13 0.01 -0.21 0.00 0.09 0.00 0.00 178.44 178.46 3ih6 s ALA 323 N -3.22 -0.85 -0.54 1.53 0.00 -0.52 -4.70 121.76 113.46 3ih6 s ALA 323 Ca 0.06 0.27 0.23 0.00 0.00 0.00 0.00 51.96 52.52 3ih6 s ALA 323 Cb 0.07 0.21 0.01 0.00 0.00 0.00 0.00 23.12 23.42 3ih6 s ALA 323 CO 0.68 -0.36 0.99 0.45 0.00 0.00 0.00 175.76 177.52 3ih6 n SER 324 N 0.87 0.60 -3.62 0.00 2.88 0.96 -4.19 113.62 111.11 3ih6 n SER 324 Ca -0.20 -0.16 -0.01 0.00 -1.33 0.00 0.00 58.87 57.17 3ih6 n SER 324 Cb 0.58 0.85 -0.02 0.00 -0.75 0.00 0.00 64.21 64.87 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 -3.77 -0.29 0.13 0.46 0.00 -1.14 -1.99 107.32 100.73 3ih6 s GLY 325 Ca 0.03 1.59 0.01 0.00 0.00 0.00 0.00 44.72 46.35 3ih6 s GLY 325 CO 0.81 0.50 -0.02 -1.34 0.00 0.00 0.00 173.10 173.05 3ih6 s VAL 326 N -2.15 0.57 0.06 1.40 -7.23 0.40 -1.77 120.40 111.68 3ih6 s VAL 326 Ca 0.12 -1.94 -0.15 0.00 -1.81 0.00 0.00 61.98 58.20 3ih6 s VAL 326 Cb 0.01 -1.88 0.02 0.00 0.56 0.00 0.00 36.38 35.10 3ih6 s VAL 326 CO -0.04 -0.68 0.34 0.72 -0.31 0.00 0.00 175.10 175.13 3ih6 s PHE 327 N -3.71 -0.14 -0.19 2.82 -0.71 -0.60 0.07 117.98 115.52 3ih6 s PHE 327 Ca 0.17 -0.04 -0.09 0.00 -1.04 0.00 0.00 56.93 55.94 3ih6 s PHE 327 Cb 0.06 0.14 0.07 0.00 -1.21 0.00 0.00 43.02 42.09 3ih6 s PHE 327 CO -0.01 -0.56 0.43 0.20 -1.34 0.00 0.00 175.22 173.94 3ih6 s GLY 328 N -2.27 -0.36 0.05 1.99 0.00 -0.08 -1.42 107.32 105.22 3ih6 s GLY 328 Ca -0.03 1.59 0.06 0.00 0.00 0.00 0.00 44.72 46.34 3ih6 s GLY 328 CO -0.06 2.01 -0.16 -1.36 0.00 0.00 0.00 173.10 173.53 3ih6 s PHE 329 N 1.88 1.42 0.35 1.90 0.40 -1.26 -0.80 117.98 121.86 3ih6 s PHE 329 Ca -0.07 -0.38 0.03 0.00 -0.60 0.00 0.00 56.93 55.92 3ih6 s PHE 329 Cb -0.10 -0.83 0.03 0.00 0.51 0.00 0.00 43.02 42.63 3ih6 s PHE 329 CO -0.13 0.07 0.25 0.25 0.70 0.00 0.00 175.22 176.36 3ih6 n THR 330 N 1.74 0.00 -0.21 0.64 -2.24 -0.73 -4.31 114.28 109.17 3ih6 n THR 330 Ca -0.18 -1.38 0.00 0.00 -2.27 0.00 0.00 64.05 60.21 3ih6 n THR 330 Cb 0.54 -0.19 0.00 0.00 -2.10 0.00 0.00 70.33 68.58 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 -1.88 0.00 0.03 3.42 5.68 -1.26 -4.02 116.55 118.52 3ih6 n ASP 332 Ca -0.02 0.00 0.13 0.00 -0.50 0.00 0.00 54.79 54.40 3ih6 n ASP 332 Cb 0.40 0.00 0.41 0.00 -1.14 0.00 0.00 41.12 40.78 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 0.09 -2.80 0.11 1.13 -1.26 -4.77 117.38 109.88 3ih6 n GLN 333 Ca 0.00 0.05 -0.32 0.00 -1.94 0.00 0.00 57.00 54.79 3ih6 n GLN 333 Cb 0.00 -1.58 -0.05 0.00 0.11 0.00 0.00 30.24 28.72 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 -3.43 3.87 -0.23 1.08 1.43 -1.26 -5.03 118.68 115.12 3ih6 s LEU 334 Ca 0.11 1.44 -0.02 0.00 -1.03 0.00 0.00 54.13 54.63 3ih6 s LEU 334 Cb 0.17 -4.30 0.07 0.00 0.03 0.00 0.00 46.19 42.15 3ih6 s LEU 334 CO 0.62 -0.39 0.03 -0.62 0.23 0.00 0.00 176.35 176.22 3ih6 s ASP 335 N -2.64 3.33 0.59 2.29 2.15 -1.26 -2.30 116.67 118.83 3ih6 s ASP 335 Ca 0.57 -1.06 -0.20 0.00 0.43 0.00 0.00 52.55 52.29 3ih6 s ASP 335 Cb -0.10 -0.77 -0.03 0.00 -0.30 0.00 0.00 42.92 41.72 3ih6 s ASP 335 CO 0.23 -0.31 1.27 -2.16 -0.17 0.00 0.00 175.17 174.03 3ih6 s PRO 336 N 1.71 2.93 0.33 4.34 0.04 -1.26 -5.13 135.00 137.97 3ih6 s PRO 336 Ca 0.00 2.01 -0.28 0.00 0.04 0.00 0.00 61.00 62.77 3ih6 s PRO 336 Cb -0.17 -2.02 -0.10 0.00 0.04 0.00 0.00 34.50 32.25 3ih6 s PRO 336 CO -0.11 -1.29 1.21 0.20 0.04 0.00 0.00 177.00 177.05 3ih6 s GLY 337 N -1.34 2.99 -0.01 0.56 0.00 -0.97 -4.99 107.32 103.56 3ih6 s GLY 337 Ca 0.77 1.07 0.05 0.00 0.00 0.00 0.00 44.72 46.61 3ih6 s GLY 337 CO 0.39 1.67 -0.16 1.08 0.00 0.00 0.00 173.10 176.08 3ih6 s LEU 338 N -1.86 2.03 0.00 0.66 1.43 -1.26 -1.08 118.68 118.60 3ih6 s LEU 338 Ca 0.50 -0.29 0.08 0.00 -1.03 0.00 0.00 54.13 53.38 3ih6 s LEU 338 Cb -0.35 -0.82 0.08 0.00 0.03 0.00 0.00 46.19 45.13 3ih6 s LEU 338 CO 0.46 0.19 0.63 0.00 0.23 0.00 0.00 176.35 177.86 3ih6 n ALA 339 N 2.67 0.96 0.00 4.21 0.00 0.94 -4.41 120.51 124.89 3ih6 n ALA 339 Ca -0.15 -1.65 0.00 0.00 0.00 0.00 0.00 53.44 51.65 3ih6 n ALA 339 Cb 0.54 0.45 0.00 0.00 0.00 0.00 0.00 19.45 20.44 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 -2.00 0.00 -3.72 0.00 3.72 0.24 -0.74 117.46 114.95 3ih6 n PHE 341 Ca 0.13 0.00 -0.00 0.00 -0.05 0.00 0.00 57.45 57.53 3ih6 n PHE 341 Cb 0.47 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 39.02 3ih6 n PHE 341 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3ih6 n GLY 342 N -0.07 0.82 3.38 1.37 0.00 -0.51 0.07 105.19 110.24 3ih6 n GLY 342 Ca 0.00 -0.97 -0.13 0.00 0.00 0.00 0.00 46.02 44.92 3ih6 n GLY 342 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ih6 s ALA 343 N -1.39 -1.21 -0.19 4.61 0.00 -0.74 -1.55 121.76 121.29 3ih6 s ALA 343 Ca 0.10 1.45 -0.11 0.00 0.00 0.00 0.00 51.96 53.39 3ih6 s ALA 343 Cb -0.01 -0.85 -0.05 0.00 0.00 0.00 0.00 23.12 22.21 3ih6 s ALA 343 CO 0.01 -0.24 0.19 1.14 0.00 0.00 0.00 175.76 176.86 3ih6 s GLN 344 N 0.51 4.21 0.30 0.00 -2.07 -0.73 -1.75 119.66 120.14 3ih6 s GLN 344 Ca -0.02 -0.10 0.06 0.00 -1.82 0.00 0.00 55.36 53.48 3ih6 s GLN 344 Cb -0.04 -3.42 -0.02 0.00 -1.09 0.00 0.00 33.01 28.44 3ih6 s GLN 344 CO -0.03 0.28 0.42 -0.51 -1.32 0.00 0.00 175.29 174.13 3ih6 s LEU 345 N 0.40 4.07 0.35 2.60 1.02 0.59 -0.03 118.68 127.67 3ih6 s LEU 345 Ca 0.11 -0.12 -0.13 0.00 0.02 0.00 0.00 54.13 54.02 3ih6 s LEU 345 Cb -0.12 -2.76 -0.08 0.00 0.02 0.00 0.00 46.19 43.25 3ih6 s LEU 345 CO 0.00 -0.30 0.74 0.00 0.02 0.00 0.00 176.35 176.81 3ih6 s GLN 346 N -4.10 3.90 0.05 1.70 0.00 -1.26 -3.93 119.66 116.02 3ih6 s GLN 346 Ca 0.41 0.56 0.00 0.00 -0.00 0.00 0.00 55.36 56.34 3ih6 s GLN 346 Cb -0.09 -2.43 0.11 0.00 0.00 0.00 0.00 33.01 30.60 3ih6 s GLN 346 CO 0.30 0.09 0.24 -2.30 0.00 0.00 0.00 175.29 173.62 3ih6 n PRO 347 N -0.71 -0.01 -3.16 9.60 -0.02 -1.26 -4.87 135.00 134.57 3ih6 n PRO 347 Ca 0.03 0.23 -0.33 0.00 -2.02 0.00 0.00 63.50 61.40 3ih6 n PRO 347 Cb 0.53 -0.36 -0.04 0.00 -0.02 0.00 0.00 33.50 33.62 3ih6 n PRO 347 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ih6 n GLY 348 N -1.08 5.16 2.84 -1.23 0.00 -1.26 -4.99 105.19 104.64 3ih6 n GLY 348 Ca 0.04 -2.73 -0.30 0.00 0.00 0.00 0.00 46.02 43.03 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 -2.31 4.15 0.17 1.61 -1.08 -1.26 -5.23 116.67 112.73 3ih6 s ASP 350 Ca 0.38 -2.39 -0.16 0.00 -0.52 0.00 0.00 52.55 49.86 3ih6 s ASP 350 Cb 0.14 -1.28 0.13 0.00 -1.46 0.00 0.00 42.92 40.45 3ih6 s ASP 350 CO 0.00 -0.32 1.67 1.56 0.52 0.00 0.00 175.17 178.61 3ih6 h GLN 351 N 7.17 0.04 -0.56 4.34 4.20 -1.98 0.15 115.11 128.48 3ih6 h GLN 351 Ca -0.06 -0.00 0.11 0.00 0.06 0.00 0.00 58.65 58.75 3ih6 h GLN 351 Cb 0.96 -0.01 -0.11 0.00 0.30 0.00 0.00 27.48 28.62 3ih6 h GLN 351 CO 0.54 0.03 -0.29 -0.44 -0.67 0.00 0.00 178.83 177.99 3ih6 h ASP 352 N 0.05 -1.01 -0.14 1.46 5.19 -2.01 0.13 116.42 120.09 3ih6 h ASP 352 Ca 0.21 0.21 -0.18 0.00 -0.62 0.00 0.00 57.03 56.66 3ih6 h ASP 352 Cb 0.32 0.52 -0.00 0.00 0.18 0.00 0.00 39.33 40.35 3ih6 h ASP 352 CO -0.41 -0.29 -0.57 0.50 -3.12 0.00 0.00 179.24 175.36 3ih6 h LYS 353 N -0.14 0.73 -0.30 3.56 3.64 -1.57 -1.97 116.57 120.51 3ih6 h LYS 353 Ca 0.24 -0.47 0.03 0.00 -1.27 0.00 0.00 60.65 59.17 3ih6 h LYS 353 Cb 0.53 0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.38 3ih6 h LYS 353 CO -0.65 1.10 0.13 0.00 -2.27 0.00 0.00 179.45 177.76 3ih6 h ALA 354 N 0.80 0.36 -0.50 5.00 0.00 -0.34 -0.08 119.26 124.50 3ih6 h ALA 354 Ca 0.01 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 3ih6 h ALA 354 Cb 1.15 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 3ih6 h ALA 354 CO 0.12 -0.26 -0.07 1.25 0.00 0.00 0.00 179.25 180.28 3ih6 h LEU 355 N 0.28 0.92 -0.50 0.00 5.85 -0.71 -1.27 115.31 119.88 3ih6 h LEU 355 Ca 0.13 -0.34 -0.06 0.00 0.84 0.00 0.00 57.88 58.44 3ih6 h LEU 355 Cb 0.07 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.83 3ih6 h LEU 355 CO -0.11 1.04 0.06 1.56 -0.34 0.00 0.00 178.44 180.65 3ih6 h GLN 356 N 0.78 0.84 -0.63 1.25 7.50 -1.21 -1.78 115.11 121.86 3ih6 h GLN 356 Ca 0.13 -0.24 -0.05 0.00 0.50 0.00 0.00 58.65 59.00 3ih6 h GLN 356 Cb 0.61 -0.09 -0.03 0.00 0.05 0.00 0.00 27.48 28.02 3ih6 h GLN 356 CO 0.04 0.85 0.22 1.15 -1.50 0.00 0.00 178.83 179.59 3ih6 h THR 357 N 0.71 1.24 0.46 -0.54 2.02 -0.95 0.41 112.91 116.26 3ih6 h THR 357 Ca 0.15 -0.80 -0.02 0.00 0.77 0.00 0.00 66.41 66.51 3ih6 h THR 357 Cb 0.43 0.57 -0.00 0.00 -1.74 0.00 0.00 68.15 67.41 3ih6 h THR 357 CO 0.01 0.31 -0.28 0.25 0.37 0.00 0.00 175.52 176.18 3ih6 h LEU 358 N 0.90 -0.70 -0.52 2.58 5.85 -1.10 -0.16 115.31 122.16 3ih6 h LEU 358 Ca 0.21 0.04 -0.15 0.00 0.84 0.00 0.00 57.88 58.82 3ih6 h LEU 358 Cb 0.26 0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.49 3ih6 h LEU 358 CO -0.01 -0.45 -0.36 0.71 -0.34 0.00 0.00 178.44 177.99 3ih6 h THR 359 N -0.71 1.28 0.21 1.05 1.35 -1.31 -1.31 112.91 113.48 3ih6 h THR 359 Ca -0.05 -1.53 0.01 0.00 -0.55 0.00 0.00 66.41 64.28 3ih6 h THR 359 Cb 0.58 1.40 -0.04 0.00 -1.73 0.00 0.00 68.15 68.35 3ih6 h THR 359 CO 0.06 0.50 -0.52 0.00 -0.25 0.00 0.00 175.52 175.31 3ih6 h ALA 360 N 0.92 -1.02 -0.92 6.62 0.00 -0.83 -1.15 119.26 122.86 3ih6 h ALA 360 Ca 0.06 -0.13 0.21 0.00 0.00 0.00 0.00 54.91 55.05 3ih6 h ALA 360 Cb 0.92 0.86 -0.12 0.00 0.00 0.00 0.00 17.79 19.45 3ih6 h ALA 360 CO 0.08 -1.14 0.47 1.15 0.00 0.00 0.00 179.25 179.81 3ih6 h THR 361 N -0.81 0.56 0.00 0.00 2.02 -0.88 -2.06 112.91 111.74 3ih6 h THR 361 Ca -0.02 -0.18 -0.13 0.00 0.77 0.00 0.00 66.41 66.85 3ih6 h THR 361 Cb 0.79 -0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.17 3ih6 h THR 361 CO -0.24 0.10 -0.62 -0.07 0.37 0.00 0.00 175.52 175.06 3ih6 h LEU 362 N 0.52 0.00 -2.30 2.58 3.38 -0.72 -3.29 115.31 115.48 3ih6 h LEU 362 Ca 0.56 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.53 3ih6 h LEU 362 Cb 1.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.75 3ih6 h LEU 362 CO -0.47 0.62 0.00 -0.62 0.09 0.00 0.00 178.44 178.07 3ih6 n GLU 363 N -3.50 2.39 -2.48 1.13 1.02 -0.48 -4.48 120.64 114.24 3ih6 n GLU 363 Ca -0.00 -2.19 -0.13 0.00 -0.02 0.00 0.00 57.16 54.82 3ih6 n GLU 363 Cb 0.69 -1.47 0.03 0.00 -0.02 0.00 0.00 31.44 30.67 3ih6 n GLU 363 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 3ih6 n SER 364 N 1.37 3.13 0.00 1.62 7.64 -1.00 -4.83 113.62 121.55 3ih6 n SER 364 Ca 0.18 -2.93 0.13 0.00 1.01 0.00 0.00 58.87 57.25 3ih6 n SER 364 Cb 0.57 -0.43 0.38 0.00 -1.01 0.00 0.00 64.21 63.72 3ih6 n SER 364 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3ih6 n LEU 365 N -0.55 0.33 0.20 -3.43 4.77 -1.26 -2.89 117.00 114.17 3ih6 n LEU 365 Ca 0.24 0.19 0.08 0.00 -0.03 0.00 0.00 56.01 56.49 3ih6 n LEU 365 Cb 0.85 -0.34 0.40 0.00 -2.33 0.00 0.00 43.42 42.00 3ih6 n LEU 365 CO 0.25 0.07 0.74 0.77 -1.33 0.00 0.00 177.39 177.89 3ih6 h SER 366 N 0.00 0.00 0.62 -1.43 4.64 -1.95 -1.21 113.55 114.22 3ih6 h SER 366 Ca 0.00 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.21 3ih6 h SER 366 Cb 0.51 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.58 3ih6 h SER 366 CO 0.00 0.30 -0.50 -1.28 -0.87 0.00 0.00 176.83 174.48 3ih6 h SER 367 N 0.00 0.00 -2.11 4.97 0.87 -1.93 -3.39 113.55 111.96 3ih6 h SER 367 Ca -0.00 0.00 -0.58 0.00 -1.23 0.00 0.00 61.79 59.98 3ih6 h SER 367 Cb 0.80 0.00 -0.40 0.00 -0.44 0.00 0.00 62.40 62.37 3ih6 h SER 367 CO 0.04 0.50 -0.93 0.29 -0.53 0.00 0.00 176.83 176.20 3ih6 n LYS 368 N -3.79 1.24 -1.77 2.24 5.02 -0.53 -5.12 118.16 115.45 3ih6 n LYS 368 Ca -0.01 -3.68 -0.40 0.00 -2.02 0.00 0.00 58.31 52.19 3ih6 n LYS 368 Cb 0.54 -1.58 0.01 0.00 -0.02 0.00 0.00 35.03 33.99 3ih6 n LYS 368 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 3ih6 n PRO 369 N 1.35 2.43 -1.57 1.97 -0.02 -0.77 -4.78 135.00 133.60 3ih6 n PRO 369 Ca 0.24 0.86 -0.37 0.00 -2.02 0.00 0.00 63.50 62.21 3ih6 n PRO 369 Cb 0.49 -2.65 0.07 0.00 -0.02 0.00 0.00 33.50 31.38 3ih6 n PRO 369 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3ih6 n PHE 370 N 0.04 0.99 -3.94 6.00 3.72 -1.26 -5.02 117.46 118.00 3ih6 n PHE 370 Ca 0.04 0.42 -0.26 0.00 -0.05 0.00 0.00 57.45 57.60 3ih6 n PHE 370 Cb 0.40 -2.15 -0.03 0.00 -0.94 0.00 0.00 39.48 36.77 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 -1.40 6.34 0.34 4.37 1.04 -1.26 -5.01 113.70 118.13 3ih6 s SER 371 Ca 0.77 0.17 0.07 0.00 0.48 0.00 0.00 55.95 57.44 3ih6 s SER 371 Cb -0.39 -1.91 0.74 0.00 0.10 0.00 0.00 66.02 64.57 3ih6 s SER 371 CO 0.46 0.04 1.88 -0.61 0.98 0.00 0.00 173.24 175.99 3ih6 h GLN 372 N 2.08 0.75 -0.09 4.02 5.75 -1.99 -0.93 115.11 124.70 3ih6 h GLN 372 Ca -0.49 -0.05 0.00 0.00 -0.15 0.00 0.00 58.65 57.97 3ih6 h GLN 372 Cb 1.20 -0.17 -0.00 0.00 1.07 0.00 0.00 27.48 29.57 3ih6 h GLN 372 CO 0.68 0.50 0.06 0.93 -2.65 0.00 0.00 178.83 178.35 3ih6 h GLU 373 N 0.77 0.12 -0.81 1.69 3.07 -1.99 0.89 114.58 118.33 3ih6 h GLU 373 Ca 0.43 -0.01 -0.02 0.00 -0.50 0.00 0.00 59.36 59.26 3ih6 h GLU 373 Cb 0.57 -0.03 -0.04 0.00 -0.84 0.00 0.00 28.75 28.42 3ih6 h GLU 373 CO -0.19 0.08 0.43 0.93 -1.40 0.00 0.00 179.01 178.86 3ih6 h GLU 374 N 0.12 1.14 -0.15 2.33 5.08 -1.78 -1.06 114.58 120.27 3ih6 h GLU 374 Ca 0.03 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.25 3ih6 h GLU 374 Cb -0.01 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.01 3ih6 h GLU 374 CO -0.01 0.85 0.07 1.25 -1.00 0.00 0.00 179.01 180.17 3ih6 h LEU 375 N 1.14 0.20 -0.98 1.33 5.85 -0.78 -2.62 115.31 119.46 3ih6 h LEU 375 Ca 0.29 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.88 3ih6 h LEU 375 Cb 0.05 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 40.98 3ih6 h LEU 375 CO -0.04 0.27 0.62 -0.33 -0.34 0.00 0.00 178.44 178.62 3ih6 h GLU 376 N 0.11 1.31 -0.82 1.25 4.39 -0.46 0.04 114.58 120.41 3ih6 h GLU 376 Ca 0.05 -0.10 0.05 0.00 0.34 0.00 0.00 59.36 59.71 3ih6 h GLU 376 Cb 0.13 -0.28 -0.06 0.00 -0.10 0.00 0.00 28.75 28.44 3ih6 h GLU 376 CO -0.01 0.89 0.51 -0.09 -1.16 0.00 0.00 179.01 179.15 3ih6 h ARG 377 N 1.34 0.91 0.07 2.33 2.43 -1.11 -0.61 114.38 119.75 3ih6 h ARG 377 Ca 0.35 -0.06 -0.28 0.00 -0.81 0.00 0.00 59.98 59.19 3ih6 h ARG 377 Cb -0.11 -0.21 0.03 0.00 -0.42 0.00 0.00 29.97 29.26 3ih6 h ARG 377 CO -0.07 0.61 -1.14 0.00 -1.51 0.00 0.00 179.97 177.85 3ih6 h ALA 378 N 1.38 0.04 -0.35 2.80 0.00 -1.01 -1.59 119.26 120.53 3ih6 h ALA 378 Ca 0.35 -0.74 0.00 0.00 0.00 0.00 0.00 54.91 54.52 3ih6 h ALA 378 Cb 0.12 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3ih6 h ALA 378 CO -0.15 0.67 0.22 -0.09 0.00 0.00 0.00 179.25 179.90 3ih6 h ARG 379 N 0.30 0.46 -0.35 0.00 2.43 -0.87 0.14 114.38 116.49 3ih6 h ARG 379 Ca -0.16 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 58.96 3ih6 h ARG 379 Cb 1.81 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 31.24 3ih6 h ARG 379 CO 0.22 0.32 0.17 1.03 -1.51 0.00 0.00 179.97 180.20 3ih6 h SER 380 N 0.47 0.46 -0.22 -3.80 0.87 -1.11 -1.02 113.55 109.19 3ih6 h SER 380 Ca 0.13 -0.13 0.06 0.00 -1.23 0.00 0.00 61.79 60.62 3ih6 h SER 380 Cb -0.04 -0.12 -0.06 0.00 -0.44 0.00 0.00 62.40 61.74 3ih6 h SER 380 CO -0.03 0.46 -0.19 0.50 -0.53 0.00 0.00 176.83 177.04 3ih6 h LYS 381 N 0.43 -0.19 -0.67 2.24 3.64 -0.88 -1.60 116.57 119.54 3ih6 h LYS 381 Ca 0.12 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 3ih6 h LYS 381 Cb 0.12 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.95 3ih6 h LYS 381 CO -0.02 -0.13 0.42 2.35 -2.27 0.00 0.00 179.45 179.81 3ih6 h TRP 382 N -0.20 0.86 0.01 1.91 7.01 -0.40 -2.70 115.95 122.44 3ih6 h TRP 382 Ca 0.13 0.01 -0.25 0.00 2.11 0.00 0.00 58.89 60.89 3ih6 h TRP 382 Cb 0.40 -0.29 0.01 0.00 -2.10 0.00 0.00 29.16 27.19 3ih6 h TRP 382 CO -0.35 0.56 -1.03 -0.07 -2.79 0.00 0.00 178.44 174.77 3ih6 h LEU 383 N 0.90 0.74 -0.42 0.65 3.38 -1.06 -2.19 115.31 117.32 3ih6 h LEU 383 Ca 0.24 -0.61 0.08 0.00 0.09 0.00 0.00 57.88 57.68 3ih6 h LEU 383 Cb -0.07 -0.23 -0.09 0.00 0.09 0.00 0.00 40.66 40.36 3ih6 h LEU 383 CO -0.05 1.41 -0.38 0.74 0.09 0.00 0.00 178.44 180.25 3ih6 h THR 384 N 0.31 0.16 -0.74 0.22 2.02 -1.21 -1.09 112.91 112.59 3ih6 h THR 384 Ca -0.11 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.08 3ih6 h THR 384 Cb 1.68 0.16 -0.04 0.00 -1.74 0.00 0.00 68.15 68.21 3ih6 h THR 384 CO 0.19 0.00 0.48 0.00 0.37 0.00 0.00 175.52 176.56 3ih6 h ALA 385 N 0.61 0.95 -0.79 6.16 0.00 -1.21 -2.24 119.26 122.75 3ih6 h ALA 385 Ca 0.16 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3ih6 h ALA 385 Cb 0.56 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 3ih6 h ALA 385 CO -0.57 0.32 0.43 2.35 0.00 0.00 0.00 179.25 181.77 3ih6 h TRP 386 N 0.96 1.07 -0.41 0.00 7.01 -1.02 -2.15 115.95 121.41 3ih6 h TRP 386 Ca 0.28 -0.02 -0.06 0.00 2.11 0.00 0.00 58.89 61.20 3ih6 h TRP 386 Cb -0.06 -0.34 -0.02 0.00 -2.10 0.00 0.00 29.16 26.64 3ih6 h TRP 386 CO -0.03 0.74 0.03 0.37 -2.79 0.00 0.00 178.44 176.76 3ih6 h GLN 387 N 1.10 0.70 -0.92 2.65 5.75 -0.63 0.59 115.11 124.35 3ih6 h GLN 387 Ca 0.28 -0.21 0.08 0.00 -0.15 0.00 0.00 58.65 58.65 3ih6 h GLN 387 Cb 0.02 -0.07 -0.06 0.00 1.07 0.00 0.00 27.48 28.44 3ih6 h GLN 387 CO -0.05 0.77 0.60 1.96 -2.65 0.00 0.00 178.83 179.46 3ih6 h GLN 388 N 0.54 0.95 0.19 1.69 4.20 -1.26 -1.70 115.11 119.71 3ih6 h GLN 388 Ca 0.12 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.76 3ih6 h GLN 388 Cb 0.44 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 28.00 3ih6 h GLN 388 CO 0.02 0.63 -0.09 1.15 -0.67 0.00 0.00 178.83 179.87 3ih6 h THR 389 N 0.98 0.92 -0.80 -0.54 2.02 -0.97 -3.23 112.91 111.28 3ih6 h THR 389 Ca 0.42 -0.66 0.06 0.00 0.77 0.00 0.00 66.41 67.00 3ih6 h THR 389 Cb 0.31 1.30 -0.05 0.00 -1.74 0.00 0.00 68.15 67.97 3ih6 h THR 389 CO -0.17 0.15 0.52 0.22 0.37 0.00 0.00 175.52 176.61 3ih6 h TYR 390 N -0.58 0.90 0.00 3.16 3.20 -0.83 -2.12 116.97 120.69 3ih6 h TYR 390 Ca -0.03 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.87 3ih6 h TYR 390 Cb 0.43 -0.30 0.00 0.00 1.54 0.00 0.00 36.73 38.41 3ih6 h TYR 390 CO 0.03 0.48 0.00 0.00 -1.64 0.00 0.00 178.16 177.03 3ih6 n ALA 391 N -2.42 1.47 -4.02 1.82 0.00 -0.65 -4.51 120.51 112.19 3ih6 n ALA 391 Ca 0.12 0.08 -0.31 0.00 0.00 0.00 0.00 53.44 53.32 3ih6 n ALA 391 Cb 0.20 -1.31 -0.15 0.00 0.00 0.00 0.00 19.45 18.18 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 -3.86 4.37 0.56 0.00 -1.08 -0.80 -5.00 116.67 110.86 3ih6 s ASP 392 Ca 0.03 -1.51 0.24 0.00 -0.52 0.00 0.00 52.55 50.78 3ih6 s ASP 392 Cb 0.08 -1.46 1.56 0.00 -1.46 0.00 0.00 42.92 41.64 3ih6 s ASP 392 CO 0.29 -0.25 2.18 -0.65 0.52 0.00 0.00 175.17 177.27 3ih6 h PRO 393 N 7.79 0.00 -0.37 4.34 0.11 -1.80 0.34 132.00 142.41 3ih6 h PRO 393 Ca -0.15 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.84 3ih6 h PRO 393 Cb 1.04 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 3ih6 h PRO 393 CO 0.46 0.00 -0.20 1.49 -0.21 0.00 0.00 178.00 179.54 3ih6 h GLU 394 N 0.00 0.80 0.03 1.05 4.81 -1.94 -0.06 114.58 119.26 3ih6 h GLU 394 Ca 0.02 -0.36 -0.22 0.00 -0.13 0.00 0.00 59.36 58.67 3ih6 h GLU 394 Cb 0.10 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 3ih6 h GLU 394 CO -0.00 0.99 -0.98 0.87 -0.73 0.00 0.00 179.01 179.16 3ih6 h LYS 395 N 0.60 0.22 -0.60 1.92 1.57 -1.01 -2.71 116.57 116.57 3ih6 h LYS 395 Ca 0.08 -0.28 -0.07 0.00 -1.87 0.00 0.00 60.65 58.51 3ih6 h LYS 395 Cb 0.76 0.09 -0.02 0.00 0.08 0.00 0.00 32.23 33.14 3ih6 h LYS 395 CO 0.06 1.04 0.08 0.28 -0.57 0.00 0.00 179.45 180.34 3ih6 h VAL 396 N 0.11 1.26 -0.45 0.50 2.07 -0.47 -0.85 116.25 118.41 3ih6 h VAL 396 Ca -0.07 -1.01 -0.00 0.00 0.82 0.00 0.00 66.70 66.44 3ih6 h VAL 396 Cb 1.65 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 32.15 3ih6 h VAL 396 CO 0.15 0.37 0.27 1.23 0.02 0.00 0.00 177.57 179.61 3ih6 h GLY 397 N 0.90 0.65 0.85 2.17 0.00 -0.96 0.15 103.07 106.84 3ih6 h GLY 397 Ca 0.18 -0.28 -0.01 0.00 0.00 0.00 0.00 47.33 47.22 3ih6 h GLY 397 CO 0.01 0.27 0.04 -2.08 0.00 0.00 0.00 176.54 174.79 3ih6 h VAL 398 N 0.59 1.17 -0.38 4.60 2.07 -1.35 -1.79 116.25 121.16 3ih6 h VAL 398 Ca 0.16 -0.50 -0.00 0.00 0.82 0.00 0.00 66.70 67.17 3ih6 h VAL 398 Cb 0.01 1.27 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 3ih6 h VAL 398 CO -0.03 0.15 0.22 0.00 0.02 0.00 0.00 177.57 177.93 3ih6 h ALA 399 N 0.87 0.48 -0.65 1.67 0.00 -0.91 0.85 119.26 121.58 3ih6 h ALA 399 Ca 0.04 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.91 3ih6 h ALA 399 Cb 0.20 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 3ih6 h ALA 399 CO -0.00 -0.01 0.41 -0.07 0.00 0.00 0.00 179.25 179.57 3ih6 h LEU 400 N 0.49 0.67 -1.43 0.00 3.38 -0.68 0.26 115.31 118.01 3ih6 h LEU 400 Ca 0.14 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 3ih6 h LEU 400 Cb 0.02 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 3ih6 h LEU 400 CO -0.02 0.47 0.22 0.77 0.09 0.00 0.00 178.44 179.96 3ih6 h SER 401 N 0.80 0.54 -0.37 -0.43 4.64 -0.71 -0.58 113.55 117.45 3ih6 h SER 401 Ca 0.26 -0.04 -0.11 0.00 -0.47 0.00 0.00 61.79 61.43 3ih6 h SER 401 Cb 0.01 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 61.94 3ih6 h SER 401 CO -0.10 0.46 -0.15 -0.33 -0.87 0.00 0.00 176.83 175.84 3ih6 h GLU 402 N 0.61 0.83 -0.33 4.77 5.08 0.01 -1.53 114.58 124.01 3ih6 h GLU 402 Ca 0.15 -0.30 0.02 0.00 -1.00 0.00 0.00 59.36 58.23 3ih6 h GLU 402 Cb 0.06 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 3ih6 h GLU 402 CO -0.02 0.93 0.18 0.00 -1.00 0.00 0.00 179.01 179.09 3ih6 h ALA 403 N 1.09 0.41 -0.11 3.43 0.00 0.04 0.18 119.26 124.30 3ih6 h ALA 403 Ca 0.12 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 3ih6 h ALA 403 Cb 0.66 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 3ih6 h ALA 403 CO 0.05 -0.19 -0.42 0.82 0.00 0.00 0.00 179.25 179.51 3ih6 h ILE 404 N 0.36 1.31 0.00 0.00 2.04 -1.03 -0.58 117.51 119.62 3ih6 h ILE 404 Ca 0.14 -1.54 -0.08 0.00 1.00 0.00 0.00 64.86 64.37 3ih6 h ILE 404 Cb 0.03 1.69 -0.01 0.00 -0.74 0.00 0.00 36.82 37.80 3ih6 h ILE 404 CO -0.08 0.46 -0.39 0.00 0.00 0.00 0.00 178.15 178.14 3ih6 h ALA 405 N 1.36 1.00 0.00 1.87 0.00 -1.06 -2.36 119.26 120.07 3ih6 h ALA 405 Ca 0.02 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3ih6 h ALA 405 Cb 0.83 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.56 3ih6 h ALA 405 CO 0.07 0.48 0.00 0.43 0.00 0.00 0.00 179.25 180.23 3ih6 n SER 406 N -3.56 0.37 0.00 0.00 7.64 0.61 -4.96 113.62 113.72 3ih6 n SER 406 Ca -0.00 0.54 0.00 0.00 1.01 0.00 0.00 58.87 60.42 3ih6 n SER 406 Cb 0.51 -0.64 0.00 0.00 -1.01 0.00 0.00 64.21 63.08 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 1.27 0.86 3.17 0.23 0.00 -0.84 -5.00 105.19 104.89 3ih6 n GLY 407 Ca 0.06 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.13 -0.09 0.48 1.61 2.15 -0.29 -4.89 116.67 114.51 3ih6 s ASP 408 Ca 0.00 0.83 0.25 0.00 0.43 0.00 0.00 52.55 54.06 3ih6 s ASP 408 Cb 0.00 1.03 1.31 0.00 -0.30 0.00 0.00 42.92 44.95 3ih6 s ASP 408 CO 0.00 -0.23 1.87 4.11 -0.17 0.00 0.00 175.17 180.75 3ih6 h TRP 409 N 8.03 0.25 0.00 -5.34 5.08 -1.87 -2.12 115.95 119.99 3ih6 h TRP 409 Ca -0.19 0.01 0.00 0.00 1.08 0.00 0.00 58.89 59.79 3ih6 h TRP 409 Cb 1.12 -0.08 0.00 0.00 -3.00 0.00 0.00 29.16 27.20 3ih6 h TRP 409 CO 0.31 0.06 0.00 0.00 -1.28 0.00 0.00 178.44 177.53 3ih6 h ARG 410 N 0.18 0.00 -0.96 0.12 3.08 -1.94 -3.20 114.38 111.66 3ih6 h ARG 410 Ca 0.46 0.00 0.19 0.00 0.07 0.00 0.00 59.98 60.69 3ih6 h ARG 410 Cb 1.49 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 31.46 3ih6 h ARG 410 CO -0.09 0.00 0.61 -0.07 -1.07 0.00 0.00 179.97 179.34 3ih6 h LEU 411 N 0.00 0.64 -0.88 3.04 3.38 -1.71 0.36 115.31 120.13 3ih6 h LEU 411 Ca 0.00 0.07 0.03 0.00 0.09 0.00 0.00 57.88 58.07 3ih6 h LEU 411 Cb 0.50 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.15 3ih6 h LEU 411 CO 0.00 0.26 0.57 0.15 0.09 0.00 0.00 178.44 179.51 3ih6 h PHE 412 N 0.64 1.08 0.08 1.13 3.57 -1.80 -0.02 116.94 121.62 3ih6 h PHE 412 Ca 0.52 0.03 -0.22 0.00 3.53 0.00 0.00 57.97 61.83 3ih6 h PHE 412 Cb 0.96 -0.36 -0.01 0.00 2.79 0.00 0.00 35.95 39.33 3ih6 h PHE 412 CO -0.00 0.63 -1.10 0.74 -2.23 0.00 0.00 178.31 176.34 3ih6 h PHE 413 N 1.12 0.31 -0.47 0.41 0.04 -1.55 -3.33 116.94 113.48 3ih6 h PHE 413 Ca 0.35 -0.23 0.09 0.00 2.80 0.00 0.00 57.97 60.98 3ih6 h PHE 413 Cb -0.01 -0.01 -0.10 0.00 2.20 0.00 0.00 35.95 38.02 3ih6 h PHE 413 CO -0.02 1.43 -0.26 1.25 -0.60 0.00 0.00 178.31 180.11 3ih6 h LEU 414 N -0.54 -0.90 -1.11 1.54 5.85 -0.03 -1.49 115.31 118.63 3ih6 h LEU 414 Ca -0.25 0.19 0.04 0.00 0.84 0.00 0.00 57.88 58.70 3ih6 h LEU 414 Cb 1.55 0.46 -0.05 0.00 0.37 0.00 0.00 40.66 42.99 3ih6 h LEU 414 CO 0.02 -0.28 0.60 1.56 -0.34 0.00 0.00 178.44 180.00 3ih6 h GLN 415 N -0.16 1.11 -0.59 1.25 4.20 -1.17 -0.57 115.11 119.18 3ih6 h GLN 415 Ca 0.21 -0.07 0.02 0.00 0.06 0.00 0.00 58.65 58.88 3ih6 h GLN 415 Cb 0.50 -0.25 -0.04 0.00 0.30 0.00 0.00 27.48 27.99 3ih6 h GLN 415 CO -0.56 0.74 0.36 -0.09 -0.67 0.00 0.00 178.83 178.61 3ih6 h ARG 416 N 1.14 0.70 -0.38 1.46 2.43 -1.40 -1.56 114.38 116.78 3ih6 h ARG 416 Ca 0.37 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.49 3ih6 h ARG 416 Cb 0.03 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.41 3ih6 h ARG 416 CO -0.12 0.46 0.22 -0.44 -1.51 0.00 0.00 179.97 178.59 3ih6 h ASP 417 N 0.72 0.46 -0.25 -3.80 3.32 -0.72 -1.30 116.42 114.86 3ih6 h ASP 417 Ca 0.23 -0.06 0.06 0.00 0.02 0.00 0.00 57.03 57.28 3ih6 h ASP 417 Cb 0.00 -0.12 -0.07 0.00 0.22 0.00 0.00 39.33 39.37 3ih6 h ASP 417 CO -0.09 0.39 -0.23 0.03 -1.72 0.00 0.00 179.24 177.61 3ih6 h ARG 418 N 0.49 -0.23 -0.99 3.56 3.08 -0.84 -2.16 114.38 117.29 3ih6 h ARG 418 Ca 0.13 0.02 0.05 0.00 0.07 0.00 0.00 59.98 60.25 3ih6 h ARG 418 Cb 0.02 0.05 -0.06 0.00 0.08 0.00 0.00 29.97 30.06 3ih6 h ARG 418 CO -0.02 -0.15 0.64 0.28 -1.07 0.00 0.00 179.97 179.65 3ih6 h VAL 419 N -0.24 1.14 0.00 2.04 2.07 -0.95 0.77 116.25 121.08 3ih6 h VAL 419 Ca 0.14 -0.42 -0.08 0.00 0.82 0.00 0.00 66.70 67.16 3ih6 h VAL 419 Cb 0.45 -0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.03 3ih6 h VAL 419 CO -0.39 0.22 -0.38 0.03 0.02 0.00 0.00 177.57 177.08 3ih6 h ARG 420 N 1.21 0.00 -0.02 1.57 3.08 -0.87 -3.11 114.38 116.23 3ih6 h ARG 420 Ca 0.41 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.46 3ih6 h ARG 420 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.12 3ih6 h ARG 420 CO -0.14 0.38 -0.25 0.39 -1.07 0.00 0.00 179.97 179.27 3ih6 n GLU 421 N -3.93 1.71 -1.69 0.04 1.02 -0.78 -4.97 120.64 112.05 3ih6 n GLU 421 Ca -0.02 -1.40 -0.42 0.00 -0.02 0.00 0.00 57.16 55.30 3ih6 n GLU 421 Cb 0.43 -1.47 -0.03 0.00 -0.02 0.00 0.00 31.44 30.35 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 -2.26 3.69 0.32 0.62 0.00 0.20 -5.00 121.76 119.33 3ih6 s ALA 422 Ca 0.23 1.40 0.03 0.00 0.00 0.00 0.00 51.96 53.63 3ih6 s ALA 422 Cb 0.19 -3.80 -0.02 0.00 0.00 0.00 0.00 23.12 19.48 3ih6 s ALA 422 CO 0.45 -1.38 0.48 0.15 0.00 0.00 0.00 175.76 175.46 3ih6 s LYS 423 N 3.48 3.36 0.36 0.00 1.02 -1.26 -5.01 119.74 121.69 3ih6 s LYS 423 Ca 0.84 -0.61 0.07 0.00 0.02 0.00 0.00 55.97 56.29 3ih6 s LYS 423 Cb -0.45 -2.76 0.76 0.00 -0.52 0.00 0.00 37.83 34.87 3ih6 s LYS 423 CO 0.39 0.19 1.93 1.25 -0.92 0.00 0.00 175.35 178.18 3ih6 h LEU 424 N 0.88 0.66 -0.20 3.17 5.85 -1.98 -2.76 115.31 120.94 3ih6 h LEU 424 Ca -0.50 0.01 -0.11 0.00 0.84 0.00 0.00 57.88 58.12 3ih6 h LEU 424 Cb 1.23 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 42.12 3ih6 h LEU 424 CO 0.59 0.40 -0.54 0.44 -0.34 0.00 0.00 178.44 178.99 3ih6 h ASP 425 N 0.74 0.00 0.07 1.25 3.32 -1.97 -1.32 116.42 118.51 3ih6 h ASP 425 Ca 0.36 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.40 3ih6 h ASP 425 Cb 0.41 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.95 3ih6 h ASP 425 CO -0.13 0.54 -0.04 0.44 -1.72 0.00 0.00 179.24 178.33 3ih6 h ASP 426 N 0.00 -0.10 -0.73 6.45 3.32 -1.90 -0.74 116.42 122.71 3ih6 h ASP 426 Ca -0.01 0.01 -0.05 0.00 0.02 0.00 0.00 57.03 57.00 3ih6 h ASP 426 Cb 1.34 0.03 -0.03 0.00 0.22 0.00 0.00 39.33 40.88 3ih6 h ASP 426 CO 0.07 -0.07 0.28 0.58 -1.72 0.00 0.00 179.24 178.38 3ih6 h VAL 427 N -0.11 1.25 -0.32 -1.35 2.07 -1.51 0.49 116.25 116.78 3ih6 h VAL 427 Ca -0.01 -0.82 0.04 0.00 0.82 0.00 0.00 66.70 66.73 3ih6 h VAL 427 Cb 0.09 0.41 -0.04 0.00 -1.52 0.00 0.00 31.29 30.24 3ih6 h VAL 427 CO 0.01 0.33 0.09 -0.61 0.02 0.00 0.00 177.57 177.41 3ih6 h GLN 428 N 1.06 0.21 -0.21 1.57 5.75 -1.26 -2.57 115.11 119.66 3ih6 h GLN 428 Ca 0.24 -0.01 -0.02 0.00 -0.15 0.00 0.00 58.65 58.71 3ih6 h GLN 428 Cb 0.24 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 28.73 3ih6 h GLN 428 CO -0.02 0.14 0.06 0.00 -2.65 0.00 0.00 178.83 176.37 3ih6 h ARG 429 N 0.22 0.34 -0.61 1.69 3.08 0.13 -2.18 114.38 117.05 3ih6 h ARG 429 Ca 0.15 -0.08 0.12 0.00 0.07 0.00 0.00 59.98 60.24 3ih6 h ARG 429 Cb 0.13 -0.05 -0.09 0.00 0.08 0.00 0.00 29.97 30.05 3ih6 h ARG 429 CO -0.17 0.44 0.11 0.00 -1.07 0.00 0.00 179.97 179.28 3ih6 h ALA 430 N 0.88 0.71 0.04 0.04 0.00 -0.06 0.08 119.26 120.94 3ih6 h ALA 430 Ca 0.07 0.14 -0.19 0.00 0.00 0.00 0.00 54.91 54.94 3ih6 h ALA 430 Cb 0.25 0.20 0.02 0.00 0.00 0.00 0.00 17.79 18.26 3ih6 h ALA 430 CO -0.00 -0.32 -0.75 0.00 0.00 0.00 0.00 179.25 178.17 3ih6 h ALA 431 N 1.50 0.04 -0.83 0.00 0.00 -1.29 -1.85 119.26 116.83 3ih6 h ALA 431 Ca 0.32 -0.63 0.05 0.00 0.00 0.00 0.00 54.91 54.66 3ih6 h ALA 431 Cb 0.49 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.28 3ih6 h ALA 431 CO -0.43 0.42 0.52 0.28 0.00 0.00 0.00 179.25 180.04 3ih6 h VAL 432 N -0.07 1.06 -0.32 0.00 2.07 -1.39 0.32 116.25 117.91 3ih6 h VAL 432 Ca -0.11 -0.33 -0.08 0.00 0.82 0.00 0.00 66.70 67.00 3ih6 h VAL 432 Cb 1.48 0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 31.25 3ih6 h VAL 432 CO 0.15 0.18 -0.15 0.00 0.02 0.00 0.00 177.57 177.76 3ih6 h ALA 433 N 1.38 1.13 0.00 1.67 0.00 -0.86 -3.37 119.26 119.21 3ih6 h ALA 433 Ca 0.35 -0.30 -0.16 0.00 0.00 0.00 0.00 54.91 54.79 3ih6 h ALA 433 Cb 0.12 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 3ih6 h ALA 433 CO -0.15 0.55 -1.77 0.66 0.00 0.00 0.00 179.25 178.53 3ih6 n TYR 434 N -4.17 0.00 -2.53 0.00 4.02 -0.71 -4.66 117.16 109.12 3ih6 n TYR 434 Ca 0.01 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.46 3ih6 n TYR 434 Cb 0.36 -0.52 0.00 0.00 -0.02 0.00 0.00 39.34 39.16 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 -2.32 5.75 -4.19 7.72 4.77 0.11 -4.79 117.00 124.05 3ih6 n LEU 435 Ca -0.15 -4.33 -0.16 0.00 -0.03 0.00 0.00 56.01 51.34 3ih6 n LEU 435 Cb 0.75 -1.62 -0.11 0.00 -2.33 0.00 0.00 43.42 40.11 3ih6 n LEU 435 CO 0.26 0.80 -0.43 0.68 -1.33 0.00 0.00 177.39 177.38 3ih6 s VAL 436 N 2.17 1.08 0.29 4.08 -7.23 -1.26 -4.31 120.40 115.22 3ih6 s VAL 436 Ca 0.45 -1.61 0.04 0.00 -1.81 0.00 0.00 61.98 59.05 3ih6 s VAL 436 Cb 0.04 -1.36 0.28 0.00 0.56 0.00 0.00 36.38 35.90 3ih6 s VAL 436 CO 0.01 -0.47 1.74 -0.09 -0.31 0.00 0.00 175.10 175.98 3ih6 h ARG 437 N 3.65 0.57 0.00 4.82 2.43 -1.95 0.63 114.38 124.54 3ih6 h ARG 437 Ca -0.38 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.75 3ih6 h ARG 437 Cb 1.19 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.61 3ih6 h ARG 437 CO 0.50 0.38 0.00 -1.13 -1.51 0.00 0.00 179.97 178.21 3ih6 n SER 438 N -4.90 0.24 -0.03 -3.80 3.41 -1.26 -1.54 113.62 105.74 3ih6 n SER 438 Ca 0.21 0.58 0.03 0.00 -0.26 0.00 0.00 58.87 59.44 3ih6 n SER 438 Cb 0.58 -0.63 0.05 0.00 -0.26 0.00 0.00 64.21 63.95 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 -1.79 2.07 -4.81 4.04 5.15 0.18 -5.02 115.26 115.08 3ih6 n ASN 439 Ca 0.01 -2.36 -0.36 0.00 -0.60 0.00 0.00 54.58 51.27 3ih6 n ASN 439 Cb 0.11 -0.15 -0.07 0.00 -0.53 0.00 0.00 39.78 39.14 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 -1.63 3.79 -0.03 1.20 3.52 -0.59 -3.84 118.95 121.37 3ih6 s ARG 440 Ca 0.11 -0.17 0.06 0.00 -0.13 0.00 0.00 55.73 55.60 3ih6 s ARG 440 Cb 0.10 -3.30 -0.01 0.00 -1.56 0.00 0.00 34.95 30.18 3ih6 s ARG 440 CO 0.01 0.56 -0.20 0.95 -0.81 0.00 0.00 175.30 175.81 3ih6 s THR 441 N -0.38 1.61 0.22 4.11 -4.23 -1.26 -5.01 115.64 110.69 3ih6 s THR 441 Ca 0.12 -0.84 0.04 0.00 -1.18 0.00 0.00 61.69 59.83 3ih6 s THR 441 Cb -0.12 -1.36 -0.03 0.00 1.34 0.00 0.00 72.50 72.34 3ih6 s THR 441 CO 0.01 0.46 0.35 -1.61 -0.54 0.00 0.00 174.62 173.28 3ih6 s GLU 442 N -0.24 3.44 0.12 3.99 2.02 -1.26 -4.23 118.70 122.54 3ih6 s GLU 442 Ca 0.02 -0.71 -0.06 0.00 0.02 0.00 0.00 54.97 54.24 3ih6 s GLU 442 Cb -0.10 -2.90 -0.02 0.00 0.10 0.00 0.00 34.13 31.21 3ih6 s GLU 442 CO 0.01 0.45 0.17 0.20 0.02 0.00 0.00 175.26 176.11 3ih6 s GLY 443 N -3.79 0.49 -0.00 -1.39 0.00 0.37 -4.94 107.32 98.06 3ih6 s GLY 443 Ca 0.34 -0.98 -0.02 0.00 0.00 0.00 0.00 44.72 44.06 3ih6 s GLY 443 CO 0.29 -1.00 0.03 0.50 0.00 0.00 0.00 173.10 172.92 3ih6 s ARG 444 N -3.95 0.21 -0.34 2.90 0.52 -1.26 -0.98 118.95 116.06 3ih6 s ARG 444 Ca 0.14 -0.26 -0.07 0.00 -0.52 0.00 0.00 55.73 55.03 3ih6 s ARG 444 Cb 0.05 0.08 0.04 0.00 0.52 0.00 0.00 34.95 35.64 3ih6 s ARG 444 CO -0.04 -0.04 0.11 -0.47 0.02 0.00 0.00 175.30 174.88 3ih6 s TYR 445 N -0.73 3.24 -0.34 -0.53 5.04 0.75 -4.95 117.35 119.84 3ih6 s TYR 445 Ca -0.08 -1.37 -0.00 0.00 -2.44 0.00 0.00 57.07 53.18 3ih6 s TYR 445 Cb -0.05 -2.28 0.08 0.00 0.35 0.00 0.00 41.96 40.06 3ih6 s TYR 445 CO -0.00 -0.71 0.07 0.42 -1.34 0.00 0.00 175.55 173.98 3ih6 s ILE 446 N 1.42 2.85 0.72 3.14 1.01 -1.26 -1.61 121.20 127.46 3ih6 s ILE 446 Ca -0.01 -1.84 -0.11 0.00 0.00 0.00 0.00 60.65 58.69 3ih6 s ILE 446 Cb -0.19 -2.84 0.03 0.00 0.01 0.00 0.00 42.46 39.46 3ih6 s ILE 446 CO 0.03 -0.40 1.07 -2.16 0.00 0.00 0.00 174.94 173.48 3ih6 s PRO 447 N 1.12 2.70 0.00 2.79 0.04 -1.26 -5.10 135.00 135.29 3ih6 s PRO 447 Ca 0.02 1.03 0.00 0.00 0.04 0.00 0.00 61.00 62.10 3ih6 s PRO 447 Cb -0.21 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.38 3ih6 s PRO 447 CO -0.04 -1.29 0.42 2.41 0.04 0.00 0.00 177.00 178.54