#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nex n LYS 271 N 0.00 -3.73 -3.59 1.96 4.76 -1.26 -5.08 118.16 111.22 1nex n LYS 271 Ca 0.00 -1.09 -0.02 0.00 -2.87 0.00 0.00 58.31 54.33 1nex n LYS 271 Cb 0.00 -2.02 -0.06 0.00 -1.84 0.00 0.00 35.03 31.11 1nex n LYS 271 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 1nex s ARG 272 N -4.68 0.46 -1.13 1.97 3.52 -1.26 -5.07 118.95 112.78 1nex s ARG 272 Ca 0.68 0.93 -0.22 0.00 -0.13 0.00 0.00 55.73 56.99 1nex s ARG 272 Cb -0.19 0.30 -0.08 0.00 -1.56 0.00 0.00 34.95 33.43 1nex s ARG 272 CO 0.61 -0.12 1.91 -3.47 -0.81 0.00 0.00 175.30 173.42 1nex n ASP 273 N 4.42 3.27 -0.27 -2.12 -0.08 -1.26 -4.73 116.55 115.78 1nex n ASP 273 Ca -0.16 -2.73 0.08 0.00 -1.51 0.00 0.00 54.79 50.48 1nex n ASP 273 Cb 0.55 -1.61 0.22 0.00 2.34 0.00 0.00 41.12 42.62 1nex n ASP 273 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 1nex h LEU 274 N 15.94 0.02 -0.93 -2.67 3.38 -1.97 -1.65 115.31 127.43 1nex h LEU 274 Ca 0.31 0.16 0.10 0.00 0.09 0.00 0.00 57.88 58.54 1nex h LEU 274 Cb 0.86 0.22 -0.08 0.00 0.09 0.00 0.00 40.66 41.75 1nex h LEU 274 CO 1.43 -0.07 0.57 -0.29 0.09 0.00 0.00 178.44 180.17 1nex h ILE 275 N 0.26 0.94 0.19 1.22 2.10 -1.94 0.29 117.51 120.57 1nex h ILE 275 Ca 0.47 -0.32 -0.32 0.00 1.08 0.00 0.00 64.86 65.77 1nex h ILE 275 Cb 0.86 -0.08 0.03 0.00 -1.09 0.00 0.00 36.82 36.54 1nex h ILE 275 CO -0.56 0.17 -1.37 0.74 -1.08 0.00 0.00 178.15 176.05 1nex h THR 276 N 0.93 1.31 -0.01 2.19 2.02 -1.74 -3.36 112.91 114.26 1nex h THR 276 Ca 0.45 -2.65 -0.18 0.00 0.77 0.00 0.00 66.41 64.80 1nex h THR 276 Cb 0.39 2.90 -0.02 0.00 -1.74 0.00 0.00 68.15 69.69 1nex h THR 276 CO -0.25 0.80 -0.81 0.28 0.37 0.00 0.00 175.52 175.91 1nex h SER 277 N 0.19 0.18 -4.23 4.18 0.02 -1.04 -3.46 113.55 109.39 1nex h SER 277 Ca -0.22 -0.14 -0.50 0.00 -0.84 0.00 0.00 61.79 60.09 1nex h SER 277 Cb 2.05 -0.05 0.14 0.00 0.14 0.00 0.00 62.40 64.68 1nex h SER 277 CO 0.26 0.91 0.30 -0.76 -1.14 0.00 0.00 176.83 176.39 1nex s LEU 278 N -7.42 2.76 0.34 5.07 2.01 0.98 -4.97 118.68 117.45 1nex s LEU 278 Ca -0.02 1.69 -0.27 0.00 0.01 0.00 0.00 54.13 55.54 1nex s LEU 278 Cb 0.11 -4.30 -0.09 0.00 0.01 0.00 0.00 46.19 41.92 1nex s LEU 278 CO 0.81 -2.23 1.13 -2.84 1.01 0.00 0.00 176.35 174.23 1nex s PRO 279 N -4.92 4.35 0.12 1.29 0.02 -1.26 -4.81 135.00 129.78 1nex s PRO 279 Ca 0.62 1.81 -0.14 0.00 0.02 0.00 0.00 61.00 63.31 1nex s PRO 279 Cb -0.17 -2.90 0.08 0.00 0.02 0.00 0.00 34.50 31.52 1nex s PRO 279 CO 0.56 -0.06 0.94 0.34 -0.33 0.00 0.00 177.00 178.46 1nex n PHE 280 N 0.58 -0.09 -0.25 6.54 7.35 -1.26 -0.28 117.46 130.05 1nex n PHE 280 Ca 0.02 0.75 0.06 0.00 -0.76 0.00 0.00 57.45 57.52 1nex n PHE 280 Cb 0.46 -0.66 0.19 0.00 0.35 0.00 0.00 39.48 39.81 1nex n PHE 280 CO 0.00 0.00 0.00 0.93 -0.76 0.00 0.00 176.76 176.93 1nex h GLU 281 N 0.00 0.35 -0.42 -4.13 3.07 -2.00 -2.10 114.58 109.34 1nex h GLU 281 Ca 0.17 -0.02 -0.12 0.00 -0.50 0.00 0.00 59.36 58.89 1nex h GLU 281 Cb 0.32 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.14 1nex h GLU 281 CO -0.59 0.23 -0.22 0.82 -1.40 0.00 0.00 179.01 177.85 1nex h ILE 282 N 0.36 1.27 -0.65 3.13 5.03 -1.00 -2.66 117.51 122.98 1nex h ILE 282 Ca 0.42 -1.35 -0.06 0.00 -0.12 0.00 0.00 64.86 63.74 1nex h ILE 282 Cb 0.68 1.18 -0.03 0.00 -3.03 0.00 0.00 36.82 35.62 1nex h ILE 282 CO -0.45 0.46 0.15 0.28 -0.68 0.00 0.00 178.15 177.91 1nex h SER 283 N 0.74 0.98 -0.00 1.72 0.02 -1.04 -2.31 113.55 113.65 1nex h SER 283 Ca 0.10 -0.20 -0.04 0.00 -0.84 0.00 0.00 61.79 60.81 1nex h SER 283 Cb 0.76 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 63.03 1nex h SER 283 CO 0.06 0.95 -0.08 -0.07 -1.14 0.00 0.00 176.83 176.54 1nex h LEU 284 N 0.99 0.20 -0.67 5.07 3.38 -1.22 -0.18 115.31 122.87 1nex h LEU 284 Ca 0.21 -0.03 -0.11 0.00 0.09 0.00 0.00 57.88 58.04 1nex h LEU 284 Cb 0.35 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 1nex h LEU 284 CO 0.00 0.32 -0.14 0.11 0.09 0.00 0.00 178.44 178.82 1nex h LYS 285 N 0.21 0.89 -0.33 1.13 1.57 -1.08 -1.81 116.57 117.15 1nex h LYS 285 Ca 0.05 -0.33 0.03 0.00 -1.87 0.00 0.00 60.65 58.52 1nex h LYS 285 Cb 0.29 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.51 1nex h LYS 285 CO 0.01 0.97 0.15 0.82 -0.57 0.00 0.00 179.45 180.84 1nex h ILE 286 N 0.79 0.97 0.00 1.86 2.04 -0.71 -2.24 117.51 120.23 1nex h ILE 286 Ca 0.12 -0.11 -0.05 0.00 1.00 0.00 0.00 64.86 65.82 1nex h ILE 286 Cb 0.67 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 37.36 1nex h ILE 286 CO 0.05 0.06 -0.25 -0.26 0.00 0.00 0.00 178.15 177.75 1nex h PHE 287 N 0.32 0.00 0.00 1.37 0.04 -1.09 -1.78 116.94 115.81 1nex h PHE 287 Ca 0.14 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.91 1nex h PHE 287 Cb 0.06 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.21 1nex h PHE 287 CO -0.11 0.25 0.00 0.09 -0.60 0.00 0.00 178.31 177.94 1nex n ASN 288 N -4.00 0.00 -1.21 2.17 3.02 -0.70 -1.79 115.26 112.75 1nex n ASN 288 Ca -0.02 0.09 0.10 0.00 -0.03 0.00 0.00 54.58 54.73 1nex n ASN 288 Cb 0.32 -0.32 0.29 0.00 -0.61 0.00 0.00 39.78 39.45 1nex n ASN 288 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1nex n TYR 289 N -1.32 0.88 -4.70 3.10 4.01 -0.67 -4.95 117.16 113.51 1nex n TYR 289 Ca 0.09 -0.50 -0.31 0.00 -0.16 0.00 0.00 57.90 57.02 1nex n TYR 289 Cb 0.17 -0.01 -0.13 0.00 -0.31 0.00 0.00 39.34 39.06 1nex n TYR 289 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1nex s LEU 290 N -1.01 2.51 0.47 7.72 1.43 -0.74 -5.11 118.68 123.95 1nex s LEU 290 Ca 0.44 -0.47 -0.21 0.00 -1.03 0.00 0.00 54.13 52.86 1nex s LEU 290 Cb 0.23 -1.46 -0.08 0.00 0.03 0.00 0.00 46.19 44.90 1nex s LEU 290 CO 0.30 0.25 1.06 -1.10 0.23 0.00 0.00 176.35 177.09 1nex s GLN 291 N -1.41 3.83 0.33 1.70 -0.21 -1.26 -4.83 119.66 117.81 1nex s GLN 291 Ca 0.14 1.46 0.10 0.00 0.02 0.00 0.00 55.36 57.08 1nex s GLN 291 Cb -0.10 -2.21 1.01 0.00 1.00 0.00 0.00 33.01 32.71 1nex s GLN 291 CO 0.05 -0.42 1.58 0.27 -2.12 0.00 0.00 175.29 174.64 1nex h PHE 292 N 1.77 0.34 -0.57 0.91 -5.15 -1.99 0.17 116.94 112.42 1nex h PHE 292 Ca -0.49 0.06 0.11 0.00 -0.20 0.00 0.00 57.97 57.44 1nex h PHE 292 Cb 1.23 0.02 -0.08 0.00 0.22 0.00 0.00 35.95 37.33 1nex h PHE 292 CO 0.56 -0.45 0.11 0.93 -2.00 0.00 0.00 178.31 177.46 1nex h GLU 293 N 0.01 0.23 -0.11 6.09 3.07 -2.01 0.67 114.58 122.55 1nex h GLU 293 Ca 0.71 -0.01 -0.04 0.00 -0.50 0.00 0.00 59.36 59.51 1nex h GLU 293 Cb 1.67 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 29.51 1nex h GLU 293 CO -0.85 0.15 -0.13 -0.44 -1.40 0.00 0.00 179.01 176.34 1nex h ASP 294 N 0.24 0.15 -0.14 1.42 3.32 -1.01 -2.35 116.42 118.06 1nex h ASP 294 Ca 0.30 -0.03 -0.13 0.00 0.02 0.00 0.00 57.03 57.18 1nex h ASP 294 Cb 0.43 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.93 1nex h ASP 294 CO -0.39 0.31 -0.37 0.40 -1.72 0.00 0.00 179.24 177.47 1nex h ILE 295 N 0.16 1.29 -0.49 0.35 2.04 -0.73 -1.80 117.51 118.33 1nex h ILE 295 Ca 0.03 -1.53 -0.12 0.00 1.00 0.00 0.00 64.86 64.25 1nex h ILE 295 Cb 0.34 1.47 -0.01 0.00 -0.74 0.00 0.00 36.82 37.87 1nex h ILE 295 CO 0.02 0.49 -0.16 0.40 0.00 0.00 0.00 178.15 178.90 1nex h ILE 296 N 0.54 1.27 -0.56 -0.67 5.03 -0.78 -2.05 117.51 120.30 1nex h ILE 296 Ca 0.05 -1.31 -0.09 0.00 -0.12 0.00 0.00 64.86 63.39 1nex h ILE 296 Cb 0.89 1.09 -0.02 0.00 -3.03 0.00 0.00 36.82 35.75 1nex h ILE 296 CO 0.08 0.46 -0.02 0.78 -0.68 0.00 0.00 178.15 178.76 1nex h ASN 297 N 0.82 0.95 -0.52 1.72 2.35 -1.40 -2.26 115.58 117.24 1nex h ASN 297 Ca 0.12 -0.27 -0.02 0.00 -0.55 0.00 0.00 56.30 55.58 1nex h ASN 297 Cb 0.73 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 38.82 1nex h ASN 297 CO 0.06 1.02 0.27 0.28 -1.65 0.00 0.00 177.43 177.40 1nex h SER 298 N 0.89 0.70 0.00 5.81 0.02 -1.15 -0.37 113.55 119.45 1nex h SER 298 Ca 0.16 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 1nex h SER 298 Cb 0.55 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.91 1nex h SER 298 CO 0.03 0.60 0.05 -0.07 -1.14 0.00 0.00 176.83 176.30 1nex h LEU 299 N 0.78 0.00 -3.07 5.07 3.38 -0.75 -0.32 115.31 120.41 1nex h LEU 299 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1nex h LEU 299 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1nex h LEU 299 CO -0.03 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.11 1nex n GLY 300 N -1.26 3.80 0.16 0.83 0.00 -0.16 -4.35 105.19 104.21 1nex n GLY 300 Ca -0.02 -0.74 -0.23 0.00 0.00 0.00 0.00 46.02 45.03 1nex n GLY 300 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1nex h VAL 301 N 1.08 1.29 -2.01 1.61 2.07 -0.94 -3.49 116.25 115.85 1nex h VAL 301 Ca 0.00 -2.57 0.21 0.00 0.82 0.00 0.00 66.70 65.16 1nex h VAL 301 Cb 1.01 2.84 -0.12 0.00 -1.52 0.00 0.00 31.29 33.51 1nex h VAL 301 CO 0.08 0.78 0.61 -0.94 0.02 0.00 0.00 177.57 178.11 1nex s SER 302 N -7.49 -0.18 0.31 0.57 1.04 -1.26 -5.01 113.70 101.68 1nex s SER 302 Ca -0.09 -0.22 -0.01 0.00 0.48 0.00 0.00 55.95 56.11 1nex s SER 302 Cb 0.05 0.35 0.48 0.00 0.10 0.00 0.00 66.02 67.00 1nex s SER 302 CO 0.94 -0.63 1.98 1.56 0.98 0.00 0.00 173.24 178.07 1nex h GLN 303 N 2.00 1.03 -0.17 4.02 1.08 -1.94 -1.32 115.11 119.81 1nex h GLN 303 Ca -0.24 -0.06 -0.19 0.00 -1.45 0.00 0.00 58.65 56.71 1nex h GLN 303 Cb 1.22 -0.23 0.01 0.00 -0.05 0.00 0.00 27.48 28.42 1nex h GLN 303 CO 0.27 0.69 -0.62 -0.97 -0.95 0.00 0.00 178.83 177.24 1nex h ASN 304 N 1.06 0.84 -0.49 1.46 -0.73 -1.98 -0.98 115.58 114.76 1nex h ASN 304 Ca 0.29 -0.61 -0.00 0.00 1.87 0.00 0.00 56.30 57.85 1nex h ASN 304 Cb -0.12 -0.25 -0.02 0.00 0.27 0.00 0.00 38.32 38.20 1nex h ASN 304 CO -0.06 1.31 0.30 -0.50 -0.37 0.00 0.00 177.43 178.11 1nex h TRP 305 N 0.43 0.65 -0.24 0.67 4.06 -1.84 0.48 115.95 120.17 1nex h TRP 305 Ca -0.03 0.00 0.03 0.00 2.06 0.00 0.00 58.89 60.95 1nex h TRP 305 Cb 1.25 -0.21 -0.03 0.00 -1.00 0.00 0.00 29.16 29.17 1nex h TRP 305 CO 0.09 0.44 0.06 -0.97 -3.56 0.00 0.00 178.44 174.51 1nex h ASN 306 N 0.66 0.04 -0.19 -3.49 -1.24 -1.19 -0.30 115.58 109.87 1nex h ASN 306 Ca 0.18 0.03 -0.01 0.00 0.71 0.00 0.00 56.30 57.21 1nex h ASN 306 Cb -0.02 0.03 -0.01 0.00 0.73 0.00 0.00 38.32 39.06 1nex h ASN 306 CO -0.03 0.06 0.08 0.50 -1.29 0.00 0.00 177.43 176.74 1nex h LYS 307 N 0.16 0.28 -0.66 6.67 3.64 -0.58 -1.50 116.57 124.58 1nex h LYS 307 Ca 0.11 -0.05 0.05 0.00 -1.27 0.00 0.00 60.65 59.48 1nex h LYS 307 Cb 0.09 -0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 31.82 1nex h LYS 307 CO -0.13 0.35 0.38 0.82 -2.27 0.00 0.00 179.45 178.60 1nex h ILE 308 N 0.15 1.01 -0.21 2.00 2.04 0.39 -2.50 117.51 120.38 1nex h ILE 308 Ca 0.06 -0.25 -0.18 0.00 1.00 0.00 0.00 64.86 65.49 1nex h ILE 308 Cb 0.17 0.22 0.00 0.00 -0.74 0.00 0.00 36.82 36.48 1nex h ILE 308 CO -0.01 0.13 -0.58 0.40 0.00 0.00 0.00 178.15 178.10 1nex h ILE 309 N 0.72 1.30 0.00 -0.67 2.04 -0.97 -3.01 117.51 116.91 1nex h ILE 309 Ca 0.29 -1.78 0.00 0.00 1.00 0.00 0.00 64.86 64.36 1nex h ILE 309 Cb 0.13 1.84 0.00 0.00 -0.74 0.00 0.00 36.82 38.05 1nex h ILE 309 CO -0.15 0.57 0.00 0.54 0.00 0.00 0.00 178.15 179.10 1nex n ARG 310 N -4.07 0.18 0.11 2.37 1.74 -0.57 -2.01 116.66 114.41 1nex n ARG 310 Ca -0.06 0.15 0.12 0.00 -0.77 0.00 0.00 57.85 57.29 1nex n ARG 310 Cb 0.64 -1.50 0.22 0.00 -1.02 0.00 0.00 32.46 30.80 1nex n ARG 310 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 1nex h LYS 311 N 0.00 0.00 -6.01 5.56 3.64 -1.30 -3.42 116.57 115.04 1nex h LYS 311 Ca 0.00 0.00 -0.59 0.00 -1.27 0.00 0.00 60.65 58.79 1nex h LYS 311 Cb 0.20 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 31.96 1nex h LYS 311 CO 0.00 0.00 -0.12 0.45 -2.27 0.00 0.00 179.45 177.51 1nex s SER 312 N -4.90 6.86 -0.17 4.20 0.15 -0.85 -4.96 113.70 114.03 1nex s SER 312 Ca 0.07 1.03 0.13 0.00 0.70 0.00 0.00 55.95 57.87 1nex s SER 312 Cb 0.11 -2.30 -0.20 0.00 -1.71 0.00 0.00 66.02 61.92 1nex s SER 312 CO 0.68 0.20 0.02 0.41 1.20 0.00 0.00 173.24 175.76 1nex n THR 313 N 2.37 1.17 -0.04 6.45 -1.04 -1.26 -4.47 114.28 117.46 1nex n THR 313 Ca -0.10 -0.68 -0.10 0.00 -2.04 0.00 0.00 64.05 61.12 1nex n THR 313 Cb 0.52 -0.65 -0.04 0.00 -1.82 0.00 0.00 70.33 68.33 1nex n THR 313 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 1nex h SER 314 N 0.00 0.23 -0.95 8.00 0.02 -1.98 -1.02 113.55 117.84 1nex h SER 314 Ca -0.46 -0.05 0.11 0.00 -0.84 0.00 0.00 61.79 60.55 1nex h SER 314 Cb 2.00 -0.06 -0.13 0.00 0.14 0.00 0.00 62.40 64.35 1nex h SER 314 CO 0.01 0.21 -0.52 0.25 -1.14 0.00 0.00 176.83 175.64 1nex h LEU 315 N 0.23 -1.91 -0.03 5.07 5.85 -1.95 0.10 115.31 122.68 1nex h LEU 315 Ca 0.07 0.32 -0.26 0.00 0.84 0.00 0.00 57.88 58.85 1nex h LEU 315 Cb 0.02 0.88 0.01 0.00 0.37 0.00 0.00 40.66 41.94 1nex h LEU 315 CO -0.01 -0.26 -1.09 -0.50 -0.34 0.00 0.00 178.44 176.23 1nex h TRP 316 N -0.03 0.66 -0.29 1.25 4.06 -1.78 -3.00 115.95 116.83 1nex h TRP 316 Ca 0.21 -0.40 0.05 0.00 2.06 0.00 0.00 58.89 60.81 1nex h TRP 316 Cb 0.48 -0.06 -0.05 0.00 -1.00 0.00 0.00 29.16 28.54 1nex h TRP 316 CO -0.96 1.26 -0.03 -0.22 -3.56 0.00 0.00 178.44 174.93 1nex h LYS 317 N 0.19 0.05 0.24 0.49 3.64 -0.40 0.16 116.57 120.94 1nex h LYS 317 Ca -0.12 -0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.27 1nex h LYS 317 Cb 1.76 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 33.53 1nex h LYS 317 CO 0.19 0.03 -0.45 0.87 -2.27 0.00 0.00 179.45 177.82 1nex h LYS 318 N 0.05 -0.74 -0.29 1.90 1.57 -0.87 -2.33 116.57 115.87 1nex h LYS 318 Ca 0.14 0.05 0.06 0.00 -1.87 0.00 0.00 60.65 59.02 1nex h LYS 318 Cb 0.19 0.17 -0.08 0.00 0.08 0.00 0.00 32.23 32.59 1nex h LYS 318 CO -0.26 -0.49 -0.44 -0.07 -0.57 0.00 0.00 179.45 177.62 1nex h LEU 319 N -0.77 -1.44 -0.88 2.94 3.38 -1.29 0.32 115.31 117.57 1nex h LEU 319 Ca -0.01 0.20 0.23 0.00 0.09 0.00 0.00 57.88 58.40 1nex h LEU 319 Cb 0.74 0.61 -0.15 0.00 0.09 0.00 0.00 40.66 41.95 1nex h LEU 319 CO -0.19 -0.40 0.19 -0.07 0.09 0.00 0.00 178.44 178.06 1nex h LEU 320 N -0.41 -0.09 -0.21 1.67 3.38 -0.80 0.16 115.31 119.01 1nex h LEU 320 Ca 0.10 0.21 -0.19 0.00 0.09 0.00 0.00 57.88 58.09 1nex h LEU 320 Cb 0.61 0.30 0.01 0.00 0.09 0.00 0.00 40.66 41.66 1nex h LEU 320 CO -0.50 -0.19 -0.62 0.40 0.09 0.00 0.00 178.44 177.62 1nex h ILE 321 N 0.17 1.29 -0.73 1.22 2.04 -0.66 0.36 117.51 121.20 1nex h ILE 321 Ca 0.55 -1.82 0.07 0.00 1.00 0.00 0.00 64.86 64.65 1nex h ILE 321 Cb 1.10 1.85 -0.06 0.00 -0.74 0.00 0.00 36.82 38.96 1nex h ILE 321 CO -0.69 0.58 0.41 0.28 0.00 0.00 0.00 178.15 178.73 1nex h SER 322 N 0.53 0.61 0.04 1.72 0.02 0.22 -1.12 113.55 115.57 1nex h SER 322 Ca -0.02 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1nex h SER 322 Cb 1.24 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.69 1nex h SER 322 CO 0.13 0.38 -0.02 -0.62 -1.14 0.00 0.00 176.83 175.57 1nex n GLU 323 N -4.76 1.30 -3.22 3.45 -0.58 0.10 -4.95 120.64 111.98 1nex n GLU 323 Ca 0.10 -0.52 -0.15 0.00 -0.42 0.00 0.00 57.16 56.17 1nex n GLU 323 Cb 0.20 -1.49 0.08 0.00 -0.57 0.00 0.00 31.44 29.65 1nex n GLU 323 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1nex n ASN 324 N -0.40 -2.29 -0.00 1.62 3.02 -0.43 -4.89 115.26 111.89 1nex n ASN 324 Ca 0.20 -0.52 0.11 0.00 -0.03 0.00 0.00 54.58 54.34 1nex n ASN 324 Cb 0.26 -4.38 -0.14 0.00 -0.61 0.00 0.00 39.78 34.91 1nex n ASN 324 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1nex n PHE 325 N -3.70 0.01 -3.52 3.10 0.99 0.12 -4.80 117.46 109.66 1nex n PHE 325 Ca -0.23 0.00 -0.11 0.00 -0.00 0.00 0.00 57.45 57.12 1nex n PHE 325 Cb 0.64 -0.25 -0.03 0.00 -1.00 0.00 0.00 39.48 38.84 1nex n PHE 325 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 1nex s VAL 326 N -3.25 0.02 0.30 -4.37 0.11 -1.23 -5.03 120.40 106.95 1nex s VAL 326 Ca 0.01 -0.25 0.10 0.00 -2.93 0.00 0.00 61.98 58.90 1nex s VAL 326 Cb 0.15 -1.13 -0.06 0.00 -1.53 0.00 0.00 36.38 33.81 1nex s VAL 326 CO 0.88 -0.09 -0.13 -0.94 -3.33 0.00 0.00 175.10 171.49 1nex s SER 327 N -2.78 3.38 0.30 3.54 1.04 -1.26 -4.29 113.70 113.63 1nex s SER 327 Ca 0.03 -1.12 0.05 0.00 0.48 0.00 0.00 55.95 55.39 1nex s SER 327 Cb -0.00 -0.28 0.78 0.00 0.10 0.00 0.00 66.02 66.62 1nex s SER 327 CO -0.11 -0.14 1.69 -0.65 0.98 0.00 0.00 173.24 175.01 1nex h PRO 328 N 2.21 0.38 -0.60 4.02 0.11 -2.00 0.43 132.00 136.56 1nex h PRO 328 Ca -0.41 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 65.58 1nex h PRO 328 Cb 1.25 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 1nex h PRO 328 CO 0.65 0.25 -0.03 0.87 -0.21 0.00 0.00 178.00 179.54 1nex h LYS 329 N 0.39 1.07 -0.00 1.05 1.79 -2.06 -2.89 116.57 115.92 1nex h LYS 329 Ca 0.58 -0.36 0.00 0.00 -2.18 0.00 0.00 60.65 58.70 1nex h LYS 329 Cb 1.14 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.70 1nex h LYS 329 CO -0.55 1.06 -0.05 0.41 -1.08 0.00 0.00 179.45 179.24 1nex n GLY 330 N -0.38 -1.23 0.00 3.86 0.00 -0.06 -4.38 105.19 103.00 1nex n GLY 330 Ca 0.03 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1nex n GLY 330 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1nex n PHE 331 N -1.24 0.00 -0.35 1.61 7.35 -0.07 -1.52 117.46 123.24 1nex n PHE 331 Ca 0.13 0.00 0.03 0.00 -0.76 0.00 0.00 57.45 56.85 1nex n PHE 331 Cb 0.27 -0.29 0.09 0.00 0.35 0.00 0.00 39.48 39.91 1nex n PHE 331 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 1nex n ASN 332 N -1.75 -0.45 -0.29 -2.13 3.02 -1.26 0.13 115.26 112.53 1nex n ASN 332 Ca 0.00 1.64 0.03 0.00 -0.03 0.00 0.00 54.58 56.22 1nex n ASN 332 Cb 0.00 -0.45 0.23 0.00 -0.61 0.00 0.00 39.78 38.96 1nex n ASN 332 CO 0.00 0.00 0.00 -1.28 -2.62 0.00 0.00 177.26 173.36 1nex h SER 333 N 0.00 0.91 -0.03 6.41 0.87 -1.79 -1.20 113.55 118.72 1nex h SER 333 Ca 0.40 -0.00 0.03 0.00 -1.23 0.00 0.00 61.79 60.99 1nex h SER 333 Cb 0.64 -0.20 -0.04 0.00 -0.44 0.00 0.00 62.40 62.37 1nex h SER 333 CO -0.96 0.60 -0.16 0.25 -0.53 0.00 0.00 176.83 176.03 1nex h LEU 334 N 1.04 -0.47 -0.25 2.23 5.85 0.22 -1.44 115.31 122.49 1nex h LEU 334 Ca 0.37 0.07 0.06 0.00 0.84 0.00 0.00 57.88 59.22 1nex h LEU 334 Cb 0.13 0.20 -0.06 0.00 0.37 0.00 0.00 40.66 41.30 1nex h LEU 334 CO -0.13 -0.21 -0.17 0.78 -0.34 0.00 0.00 178.44 178.37 1nex h ASN 335 N -0.24 -0.57 -0.25 1.25 -0.26 -0.36 -0.14 115.58 115.00 1nex h ASN 335 Ca 0.06 0.12 0.06 0.00 -0.56 0.00 0.00 56.30 55.98 1nex h ASN 335 Cb 0.33 0.29 -0.06 0.00 -1.06 0.00 0.00 38.32 37.82 1nex h ASN 335 CO -0.18 -0.21 -0.12 0.25 -1.06 0.00 0.00 177.43 176.12 1nex h LEU 336 N -0.16 -0.40 -1.26 1.61 5.85 -0.94 0.30 115.31 120.31 1nex h LEU 336 Ca 0.14 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.96 1nex h LEU 336 Cb 0.37 0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.59 1nex h LEU 336 CO -0.35 -0.15 0.44 0.50 -0.34 0.00 0.00 178.44 178.54 1nex h LYS 337 N -0.08 0.94 -0.18 1.25 3.64 -0.60 -1.25 116.57 120.28 1nex h LYS 337 Ca 0.13 -0.07 -0.14 0.00 -1.27 0.00 0.00 60.65 59.31 1nex h LYS 337 Cb 0.28 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 1nex h LYS 337 CO -0.31 0.64 -0.47 -0.07 -2.27 0.00 0.00 179.45 176.98 1nex h LEU 338 N 0.96 0.49 -0.78 5.20 3.38 -0.19 -1.79 115.31 122.57 1nex h LEU 338 Ca 0.25 -0.23 -0.13 0.00 0.09 0.00 0.00 57.88 57.86 1nex h LEU 338 Cb -0.07 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 1nex h LEU 338 CO -0.05 0.89 -0.52 -1.28 0.09 0.00 0.00 178.44 177.57 1nex h SER 339 N 0.37 0.25 0.44 -0.43 0.87 -0.39 0.52 113.55 115.18 1nex h SER 339 Ca 0.02 -0.13 -0.17 0.00 -1.23 0.00 0.00 61.79 60.29 1nex h SER 339 Cb 0.96 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.84 1nex h SER 339 CO 0.08 0.73 -0.72 1.56 -0.53 0.00 0.00 176.83 177.95 1nex h GLN 340 N 0.18 0.23 -0.06 2.24 4.20 -1.05 -2.88 115.11 117.98 1nex h GLN 340 Ca 0.00 -0.20 -0.22 0.00 0.06 0.00 0.00 58.65 58.30 1nex h GLN 340 Cb 0.98 0.04 0.01 0.00 0.30 0.00 0.00 27.48 28.82 1nex h GLN 340 CO 0.08 0.86 -0.82 -0.22 -0.67 0.00 0.00 178.83 178.05 1nex h LYS 341 N 0.16 0.66 -2.90 1.46 3.64 -0.91 -3.40 116.57 115.28 1nex h LYS 341 Ca -0.02 -0.63 -0.61 0.00 -1.27 0.00 0.00 60.65 58.11 1nex h LYS 341 Cb 1.28 0.16 -0.40 0.00 -0.41 0.00 0.00 32.23 32.86 1nex h LYS 341 CO 0.11 1.24 -0.71 0.71 -2.27 0.00 0.00 179.45 178.52 1nex s TYR 342 N -3.47 2.58 0.10 1.91 2.02 0.18 -4.99 117.35 115.67 1nex s TYR 342 Ca -0.11 -2.88 -0.24 0.00 -0.37 0.00 0.00 57.07 53.47 1nex s TYR 342 Cb 0.07 -2.08 -0.13 0.00 -0.40 0.00 0.00 41.96 39.41 1nex s TYR 342 CO 0.89 -0.68 1.72 -1.35 -1.57 0.00 0.00 175.55 174.56 1nex h PRO 343 N 5.80 -0.10 0.00 -1.71 0.11 -1.73 -2.95 132.00 131.43 1nex h PRO 343 Ca 0.13 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.25 1nex h PRO 343 Cb 0.84 0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.97 1nex h PRO 343 CO 0.58 -0.07 0.00 1.63 -0.21 0.00 0.00 178.00 179.93 1nex n LYS 344 N -5.16 0.76 -3.64 1.05 5.02 -1.26 -4.80 118.16 110.14 1nex n LYS 344 Ca -0.07 0.00 -0.22 0.00 -2.02 0.00 0.00 58.31 56.01 1nex n LYS 344 Cb 0.09 -1.30 -0.01 0.00 -0.02 0.00 0.00 35.03 33.78 1nex n LYS 344 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1nex s LEU 345 N -1.61 4.12 0.30 -0.35 1.43 -1.11 -5.11 118.68 116.34 1nex s LEU 345 Ca 0.22 0.14 0.04 0.00 -1.03 0.00 0.00 54.13 53.50 1nex s LEU 345 Cb 0.10 -2.99 -0.02 0.00 0.03 0.00 0.00 46.19 43.31 1nex s LEU 345 CO 0.17 -0.25 0.45 -0.94 0.23 0.00 0.00 176.35 176.01 1nex s SER 346 N -4.05 6.20 0.24 2.29 1.04 -1.26 -4.91 113.70 113.24 1nex s SER 346 Ca 0.39 0.12 -0.04 0.00 0.48 0.00 0.00 55.95 56.90 1nex s SER 346 Cb -0.09 -1.74 0.44 0.00 0.10 0.00 0.00 66.02 64.73 1nex s SER 346 CO 0.32 -0.25 1.75 -0.61 0.98 0.00 0.00 173.24 175.43 1nex h GLN 347 N 0.95 0.52 0.43 4.02 4.15 -1.97 0.33 115.11 123.52 1nex h GLN 347 Ca -0.50 -0.03 -0.02 0.00 0.77 0.00 0.00 58.65 58.87 1nex h GLN 347 Cb 1.24 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 28.81 1nex h GLN 347 CO 0.59 0.34 -0.21 1.96 -1.93 0.00 0.00 178.83 179.58 1nex h GLN 348 N 0.53 -0.56 -0.58 1.69 7.50 -1.84 -1.22 115.11 120.64 1nex h GLN 348 Ca 0.41 0.04 0.14 0.00 0.50 0.00 0.00 58.65 59.74 1nex h GLN 348 Cb 0.55 0.13 -0.03 0.00 0.05 0.00 0.00 27.48 28.18 1nex h GLN 348 CO -0.35 -0.37 0.40 -0.44 -1.50 0.00 0.00 178.83 176.57 1nex h ASP 349 N -0.58 0.13 0.59 1.46 3.32 -1.76 -1.77 116.42 117.81 1nex h ASP 349 Ca -0.06 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 56.97 1nex h ASP 349 Cb 0.44 -0.02 0.01 0.00 0.22 0.00 0.00 39.33 39.98 1nex h ASP 349 CO 0.09 0.07 -0.28 0.03 -1.72 0.00 0.00 179.24 177.43 1nex h ARG 350 N 0.14 -0.77 -0.95 3.56 3.08 -0.11 -0.91 114.38 118.42 1nex h ARG 350 Ca 0.28 0.05 0.14 0.00 0.07 0.00 0.00 59.98 60.52 1nex h ARG 350 Cb 0.91 0.17 -0.08 0.00 0.08 0.00 0.00 29.97 31.05 1nex h ARG 350 CO -0.04 -0.46 0.60 -0.07 -1.07 0.00 0.00 179.97 178.93 1nex h LEU 351 N -0.94 0.76 -0.67 3.04 3.38 -0.42 -0.52 115.31 119.93 1nex h LEU 351 Ca -0.08 0.05 -0.12 0.00 0.09 0.00 0.00 57.88 57.82 1nex h LEU 351 Cb 0.66 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 1nex h LEU 351 CO 0.13 0.37 -0.25 -0.09 0.09 0.00 0.00 178.44 178.69 1nex h ARG 352 N 0.80 0.76 -0.37 1.13 2.43 -1.14 -0.18 114.38 117.80 1nex h ARG 352 Ca 0.48 -0.32 -0.03 0.00 -0.81 0.00 0.00 59.98 59.30 1nex h ARG 352 Cb 0.68 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.19 1nex h ARG 352 CO -0.25 0.93 0.10 1.25 -1.51 0.00 0.00 179.97 180.49 1nex h LEU 353 N 0.66 0.56 -0.27 3.80 7.12 0.30 -0.95 115.31 126.52 1nex h LEU 353 Ca 0.09 -0.22 0.02 0.00 0.13 0.00 0.00 57.88 57.89 1nex h LEU 353 Cb 0.77 -0.15 -0.02 0.00 -0.53 0.00 0.00 40.66 40.73 1nex h LEU 353 CO 0.06 0.64 0.13 -1.28 -0.13 0.00 0.00 178.44 177.86 1nex h SER 354 N 0.45 0.19 0.35 1.25 0.87 -0.97 -0.58 113.55 115.11 1nex h SER 354 Ca 0.12 0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.67 1nex h SER 354 Cb 0.29 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.23 1nex h SER 354 CO -0.00 0.15 -0.17 0.15 -0.53 0.00 0.00 176.83 176.43 1nex h PHE 355 N 0.28 -0.44 -0.95 2.24 3.04 -0.85 0.36 116.94 120.62 1nex h PHE 355 Ca 0.11 -0.01 0.13 0.00 3.98 0.00 0.00 57.97 62.19 1nex h PHE 355 Cb 0.04 0.15 -0.08 0.00 2.56 0.00 0.00 35.95 38.62 1nex h PHE 355 CO -0.10 -0.19 0.60 -0.07 -2.02 0.00 0.00 178.31 176.53 1nex h LEU 356 N -0.62 0.79 -0.49 0.59 3.38 -1.06 0.36 115.31 118.26 1nex h LEU 356 Ca -0.05 0.05 -0.14 0.00 0.09 0.00 0.00 57.88 57.83 1nex h LEU 356 Cb 0.45 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1nex h LEU 356 CO 0.08 0.40 -0.28 -0.08 0.09 0.00 0.00 178.44 178.65 1nex h GLU 357 N 0.84 0.93 0.06 1.13 4.81 -0.89 -3.15 114.58 118.31 1nex h GLU 357 Ca 0.48 -0.43 -0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1nex h GLU 357 Cb 0.62 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.98 1nex h GLU 357 CO -0.24 1.09 -0.03 -0.91 -0.73 0.00 0.00 179.01 178.19 1nex h ASN 358 N 0.79 -0.06 -0.09 1.04 -0.26 0.87 -3.18 115.58 114.70 1nex h ASN 358 Ca 0.09 -0.55 0.02 0.00 -0.56 0.00 0.00 56.30 55.31 1nex h ASN 358 Cb 0.86 0.02 -0.00 0.00 -1.06 0.00 0.00 38.32 38.13 1nex h ASN 358 CO 0.08 0.55 0.15 -0.29 -1.06 0.00 0.00 177.43 176.86 1nex h ILE 359 N -0.73 0.29 0.00 2.81 6.09 -0.47 -0.40 117.51 125.10 1nex h ILE 359 Ca -0.01 0.00 -0.11 0.00 -1.37 0.00 0.00 64.86 63.37 1nex h ILE 359 Cb 0.61 0.87 -0.02 0.00 0.47 0.00 0.00 36.82 38.75 1nex h ILE 359 CO 0.01 0.00 -1.02 -0.26 -3.07 0.00 0.00 178.15 173.81 1nex h PHE 360 N 0.00 0.00 -0.00 2.19 0.04 -1.60 -2.07 116.94 115.50 1nex h PHE 360 Ca 0.04 0.00 -0.26 0.00 2.80 0.00 0.00 57.97 60.55 1nex h PHE 360 Cb 0.33 0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.50 1nex h PHE 360 CO 0.00 0.42 -1.03 0.82 -0.60 0.00 0.00 178.31 177.92 1nex h ILE 361 N 0.00 1.29 -0.28 -0.55 2.04 -1.09 -2.42 117.51 116.50 1nex h ILE 361 Ca -0.08 -2.26 -0.06 0.00 1.00 0.00 0.00 64.86 63.45 1nex h ILE 361 Cb 1.39 2.38 -0.02 0.00 -0.74 0.00 0.00 36.82 39.83 1nex h ILE 361 CO 0.04 0.70 -0.10 0.25 0.00 0.00 0.00 178.15 179.04 1nex h LEU 362 N 0.38 0.44 -0.69 1.44 5.85 -1.33 -0.23 115.31 121.17 1nex h LEU 362 Ca -0.12 -0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.47 1nex h LEU 362 Cb 1.68 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 42.56 1nex h LEU 362 CO 0.20 0.58 0.36 0.11 -0.34 0.00 0.00 178.44 179.35 1nex h LYS 363 N 0.43 0.98 -0.19 1.25 1.79 -1.21 -1.30 116.57 118.33 1nex h LYS 363 Ca 0.08 -0.13 -0.03 0.00 -2.18 0.00 0.00 60.65 58.39 1nex h LYS 363 Cb 0.44 -0.18 -0.01 0.00 -1.58 0.00 0.00 32.23 30.90 1nex h LYS 363 CO 0.02 0.76 0.00 -0.91 -1.08 0.00 0.00 179.45 178.24 1nex h ASN 364 N 0.96 0.32 -0.63 0.86 -0.26 -0.88 -1.23 115.58 114.71 1nex h ASN 364 Ca 0.24 -0.31 0.06 0.00 -0.56 0.00 0.00 56.30 55.73 1nex h ASN 364 Cb 0.08 -0.09 -0.05 0.00 -1.06 0.00 0.00 38.32 37.20 1nex h ASN 364 CO -0.03 0.55 0.34 -0.50 -1.06 0.00 0.00 177.43 176.72 1nex h TRP 365 N 0.08 0.62 0.00 1.19 4.06 -0.81 -2.42 115.95 118.67 1nex h TRP 365 Ca 0.05 0.02 0.00 0.00 2.06 0.00 0.00 58.89 61.03 1nex h TRP 365 Cb 0.38 -0.18 0.00 0.00 -1.00 0.00 0.00 29.16 28.36 1nex h TRP 365 CO 0.03 0.29 0.00 0.66 -3.56 0.00 0.00 178.44 175.86 1nex n TYR 366 N -4.82 0.60 -2.67 0.49 4.01 -0.51 -4.79 117.16 109.47 1nex n TYR 366 Ca 0.08 0.18 -0.43 0.00 -0.16 0.00 0.00 57.90 57.57 1nex n TYR 366 Cb 0.17 -0.79 -0.02 0.00 -0.31 0.00 0.00 39.34 38.39 1nex n TYR 366 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 1nex s ASN 367 N -3.98 6.77 0.45 7.72 3.84 -0.47 -4.90 114.94 124.36 1nex s ASN 367 Ca 0.11 0.73 0.13 0.00 0.21 0.00 0.00 52.86 54.04 1nex s ASN 367 Cb 0.14 -2.53 1.01 0.00 -0.55 0.00 0.00 41.25 39.33 1nex s ASN 367 CO 0.56 -1.01 2.03 -0.65 -2.79 0.00 0.00 177.10 175.25 1nex h PRO 368 N 8.58 0.13 -0.19 0.43 0.11 -1.86 -1.08 132.00 138.12 1nex h PRO 368 Ca -0.22 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.87 1nex h PRO 368 Cb 1.06 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1nex h PRO 368 CO 1.05 0.20 0.00 1.63 -0.21 0.00 0.00 178.00 180.67 1nex n LYS 369 N -4.40 1.57 -4.08 1.05 5.02 -1.26 -4.82 118.16 111.25 1nex n LYS 369 Ca -0.01 -0.88 -0.36 0.00 -2.02 0.00 0.00 58.31 55.04 1nex n LYS 369 Cb 0.18 -1.30 -0.08 0.00 -0.02 0.00 0.00 35.03 33.81 1nex n LYS 369 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 1nex s PHE 370 N -1.76 3.38 -0.13 2.13 2.19 -0.41 -5.09 117.98 118.29 1nex s PHE 370 Ca 0.25 0.34 0.01 0.00 0.33 0.00 0.00 56.93 57.86 1nex s PHE 370 Cb 0.13 -1.91 0.02 0.00 -1.31 0.00 0.00 43.02 39.95 1nex s PHE 370 CO 0.19 0.54 -0.15 0.08 1.83 0.00 0.00 175.22 177.71 1nex s VAL 371 N -0.74 1.61 0.86 3.12 1.01 -1.26 -4.93 120.40 120.06 1nex s VAL 371 Ca 0.12 -0.68 -0.10 0.00 0.00 0.00 0.00 61.98 61.32 1nex s VAL 371 Cb -0.12 -1.48 0.11 0.00 0.00 0.00 0.00 36.38 34.89 1nex s VAL 371 CO 0.03 0.46 1.13 -2.84 0.00 0.00 0.00 175.10 173.88 1nex s PRO 372 N 1.23 1.49 0.11 2.72 0.02 -1.26 -4.99 135.00 134.32 1nex s PRO 372 Ca -0.00 1.42 -0.25 0.00 0.02 0.00 0.00 61.00 62.19 1nex s PRO 372 Cb -0.14 -1.79 -0.07 0.00 0.02 0.00 0.00 34.50 32.52 1nex s PRO 372 CO -0.07 -2.26 0.78 -0.65 -0.33 0.00 0.00 177.00 174.47 1nex s GLN 373 N -4.71 4.54 -0.11 5.54 -0.21 -0.69 -4.82 119.66 119.19 1nex s GLN 373 Ca 0.65 1.13 -0.01 0.00 0.02 0.00 0.00 55.36 57.14 1nex s GLN 373 Cb -0.21 -3.31 -0.03 0.00 1.00 0.00 0.00 33.01 30.46 1nex s GLN 373 CO 0.57 0.43 -0.05 0.50 -2.12 0.00 0.00 175.29 174.62 1nex s ARG 374 N -0.63 3.15 -0.07 2.91 3.52 -1.26 -1.44 118.95 125.12 1nex s ARG 374 Ca 0.37 -0.52 0.02 0.00 -0.13 0.00 0.00 55.73 55.47 1nex s ARG 374 Cb -0.22 -2.74 0.02 0.00 -1.56 0.00 0.00 34.95 30.45 1nex s ARG 374 CO 0.25 0.49 -0.11 0.99 -0.81 0.00 0.00 175.30 176.11 1nex s THR 375 N -0.34 1.12 -0.18 4.11 2.01 -0.57 -5.01 115.64 116.77 1nex s THR 375 Ca 0.05 -0.44 0.01 0.00 0.31 0.00 0.00 61.69 61.62 1nex s THR 375 Cb -0.12 -1.04 0.02 0.00 0.01 0.00 0.00 72.50 71.37 1nex s THR 375 CO 0.02 0.36 -0.19 -0.89 -0.69 0.00 0.00 174.62 173.23 1nex s THR 376 N 0.86 2.03 0.24 -0.82 2.01 -1.26 -1.12 115.64 117.57 1nex s THR 376 Ca -0.11 -0.94 0.11 0.00 0.31 0.00 0.00 61.69 61.06 1nex s THR 376 Cb -0.15 -1.85 -0.05 0.00 0.01 0.00 0.00 72.50 70.47 1nex s THR 376 CO 0.01 0.51 -0.15 -0.76 -0.69 0.00 0.00 174.62 173.55 1nex s LEU 377 N 1.30 2.75 0.43 4.42 1.43 -0.15 -4.96 118.68 123.90 1nex s LEU 377 Ca 0.05 -0.84 -0.25 0.00 -1.03 0.00 0.00 54.13 52.06 1nex s LEU 377 Cb -0.13 -1.33 -0.08 0.00 0.03 0.00 0.00 46.19 44.67 1nex s LEU 377 CO -0.13 0.06 1.26 -0.60 0.23 0.00 0.00 176.35 177.17 1nex s ARG 378 N -3.26 3.83 0.00 1.70 3.52 -1.26 -0.34 118.95 123.15 1nex s ARG 378 Ca 0.27 2.03 0.00 0.00 -0.13 0.00 0.00 55.73 57.91 1nex s ARG 378 Cb -0.07 -2.61 0.00 0.00 -1.56 0.00 0.00 34.95 30.72 1nex s ARG 378 CO 0.15 -0.57 0.00 0.41 -0.81 0.00 0.00 175.30 174.48 1nex n GLY 379 N 0.62 1.22 0.00 8.12 0.00 -0.88 -4.46 105.19 109.81 1nex n GLY 379 Ca 0.05 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.31 1nex n GLY 379 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1nex n HIS 380 N 0.00 0.00 0.00 1.61 -0.00 -1.26 -4.96 115.22 110.61 1nex n HIS 380 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1nex n HIS 380 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 1nex n HIS 380 CO 0.00 0.00 0.00 -2.37 -0.00 0.00 0.00 176.34 173.97 1nex n THR 382 N 0.00 0.00 0.44 1.59 5.66 -1.26 -4.43 114.28 116.27 1nex n THR 382 Ca 0.00 0.00 0.09 0.00 -3.05 0.00 0.00 64.05 61.09 1nex n THR 382 Cb 0.00 0.00 0.39 0.00 -1.55 0.00 0.00 70.33 69.17 1nex n THR 382 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1nex n SER 383 N 0.00 0.31 -4.54 1.09 3.41 -1.26 -4.19 113.62 108.45 1nex n SER 383 Ca 0.00 0.58 -0.34 0.00 -0.26 0.00 0.00 58.87 58.85 1nex n SER 383 Cb 0.00 -0.64 -0.11 0.00 -0.26 0.00 0.00 64.21 63.19 1nex n SER 383 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1nex s VAL 384 N -3.15 4.06 -0.14 -3.33 1.01 -1.26 -4.16 120.40 113.43 1nex s VAL 384 Ca 0.05 -0.30 -0.08 0.00 0.00 0.00 0.00 61.98 61.65 1nex s VAL 384 Cb 0.09 -2.78 -0.04 0.00 0.00 0.00 0.00 36.38 33.65 1nex s VAL 384 CO 0.32 0.50 0.15 -0.63 0.00 0.00 0.00 175.10 175.44 1nex s ILE 385 N 0.22 5.46 -0.11 2.22 -1.09 -1.26 -4.25 121.20 122.39 1nex s ILE 385 Ca -0.01 0.24 0.20 0.00 -2.23 0.00 0.00 60.65 58.85 1nex s ILE 385 Cb -0.14 -3.44 -0.24 0.00 -1.58 0.00 0.00 42.46 37.06 1nex s ILE 385 CO 0.02 0.55 0.52 0.35 -1.23 0.00 0.00 174.94 175.15 1nex n THR 386 N 2.52 0.58 -3.47 2.92 -2.24 0.06 -4.84 114.28 109.81 1nex n THR 386 Ca -0.18 -0.62 -0.12 0.00 -2.27 0.00 0.00 64.05 60.86 1nex n THR 386 Cb 0.54 -0.26 -0.03 0.00 -2.10 0.00 0.00 70.33 68.48 1nex n THR 386 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1nex s LEU 388 N -2.33 -0.45 0.09 0.00 0.20 -1.26 -1.00 118.68 113.93 1nex s LEU 388 Ca -0.00 1.13 0.07 0.00 0.69 0.00 0.00 54.13 56.01 1nex s LEU 388 Cb -0.01 1.71 -0.04 0.00 -0.43 0.00 0.00 46.19 47.43 1nex s LEU 388 CO -0.07 -0.21 -0.11 -1.10 -0.29 0.00 0.00 176.35 174.56 1nex s GLN 389 N 1.64 2.12 -0.30 1.98 -1.52 0.99 -4.98 119.66 119.59 1nex s GLN 389 Ca -0.09 -1.01 -0.02 0.00 -1.95 0.00 0.00 55.36 52.30 1nex s GLN 389 Cb -0.08 -2.29 0.12 0.00 -0.22 0.00 0.00 33.01 30.54 1nex s GLN 389 CO -0.15 0.52 0.22 0.12 -0.25 0.00 0.00 175.29 175.75 1nex s PHE 390 N -1.16 0.01 0.16 0.91 5.36 -1.26 -0.97 117.98 121.02 1nex s PHE 390 Ca 0.20 -0.68 -0.13 0.00 -0.96 0.00 0.00 56.93 55.35 1nex s PHE 390 Cb -0.11 -0.69 0.01 0.00 -0.34 0.00 0.00 43.02 41.89 1nex s PHE 390 CO 0.12 -0.88 0.38 -1.21 -1.46 0.00 0.00 175.22 172.17 1nex s GLU 391 N 2.03 1.18 -1.54 10.12 0.41 -0.67 -4.97 118.70 125.27 1nex s GLU 391 Ca 0.11 -0.95 -0.20 0.00 -0.41 0.00 0.00 54.97 53.52 1nex s GLU 391 Cb -0.16 0.44 0.20 0.00 -1.78 0.00 0.00 34.13 32.83 1nex s GLU 391 CO -0.29 -0.46 0.49 -0.25 -0.49 0.00 0.00 175.26 174.26 1nex n ASP 392 N -0.24 -1.66 -0.78 -0.19 8.00 -1.26 0.31 116.55 120.73 1nex n ASP 392 Ca -0.11 -0.93 -0.10 0.00 0.71 0.00 0.00 54.79 54.36 1nex n ASP 392 Cb 0.63 -1.47 -0.04 0.00 -0.02 0.00 0.00 41.12 40.22 1nex n ASP 392 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1nex n ASN 393 N -2.24 -4.48 -4.33 -2.24 3.02 -1.26 -4.99 115.26 98.74 1nex n ASN 393 Ca 0.10 0.25 -0.32 0.00 -0.03 0.00 0.00 54.58 54.58 1nex n ASN 393 Cb 0.45 -2.88 -0.15 0.00 -0.61 0.00 0.00 39.78 36.59 1nex n ASN 393 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1nex s TYR 394 N -2.29 2.54 -0.25 3.10 2.02 0.15 -1.36 117.35 121.26 1nex s TYR 394 Ca 0.00 -0.58 0.02 0.00 -0.37 0.00 0.00 57.07 56.13 1nex s TYR 394 Cb 0.00 -1.64 0.05 0.00 -0.40 0.00 0.00 41.96 39.97 1nex s TYR 394 CO 0.00 -0.13 -0.11 0.08 -1.57 0.00 0.00 175.55 173.83 1nex s VAL 395 N -0.23 2.31 -0.10 0.71 1.01 -0.88 -1.67 120.40 121.55 1nex s VAL 395 Ca -0.01 -1.45 -0.00 0.00 0.00 0.00 0.00 61.98 60.52 1nex s VAL 395 Cb -0.13 -2.28 -0.03 0.00 0.00 0.00 0.00 36.38 33.94 1nex s VAL 395 CO 0.03 0.07 -0.08 -0.63 0.00 0.00 0.00 175.10 174.49 1nex s ILE 396 N 1.17 3.59 0.08 2.22 1.09 -0.15 0.33 121.20 129.53 1nex s ILE 396 Ca -0.06 -0.50 0.05 0.00 -1.10 0.00 0.00 60.65 59.05 1nex s ILE 396 Cb -0.19 -2.50 -0.03 0.00 -1.06 0.00 0.00 42.46 38.68 1nex s ILE 396 CO -0.06 0.55 -0.14 0.42 -0.10 0.00 0.00 174.94 175.61 1nex s THR 397 N -0.25 1.17 0.17 2.92 -4.23 0.24 -0.01 115.64 115.64 1nex s THR 397 Ca 0.03 -1.37 0.06 0.00 -1.18 0.00 0.00 61.69 59.23 1nex s THR 397 Cb -0.13 -1.16 -0.04 0.00 1.34 0.00 0.00 72.50 72.51 1nex s THR 397 CO 0.03 -0.24 -0.12 -0.83 -0.54 0.00 0.00 174.62 172.91 1nex s GLY 398 N -1.84 1.19 0.27 3.99 0.00 -0.17 -0.76 107.32 110.00 1nex s GLY 398 Ca -0.00 -1.53 -0.14 0.00 0.00 0.00 0.00 44.72 43.05 1nex s GLY 398 CO 0.02 -1.63 0.54 0.00 0.00 0.00 0.00 173.10 172.04 1nex s ALA 399 N -3.10 -0.37 -1.81 3.20 0.00 -1.26 -0.76 121.76 117.67 1nex s ALA 399 Ca 0.18 -0.82 0.00 0.00 0.00 0.00 0.00 51.96 51.32 1nex s ALA 399 Cb 0.01 1.01 0.00 0.00 0.00 0.00 0.00 23.12 24.14 1nex s ALA 399 CO 0.03 -0.89 0.72 -3.47 0.00 0.00 0.00 175.76 172.15 1nex n ASP 400 N -0.55 0.15 -1.89 0.00 2.03 -1.26 -1.13 116.55 113.91 1nex n ASP 400 Ca -0.02 -1.59 -0.01 0.00 0.52 0.00 0.00 54.79 53.68 1nex n ASP 400 Cb 0.61 -0.08 0.32 0.00 -0.72 0.00 0.00 41.12 41.26 1nex n ASP 400 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 1nex n ASP 401 N -0.38 4.99 -3.47 1.67 5.75 -1.26 -4.20 116.55 119.64 1nex n ASP 401 Ca 0.00 -3.03 -0.33 0.00 -0.01 0.00 0.00 54.79 51.42 1nex n ASP 401 Cb 0.04 -0.71 0.03 0.00 -1.03 0.00 0.00 41.12 39.45 1nex n ASP 401 CO 0.00 0.00 0.00 2.29 -0.11 0.00 0.00 177.20 179.38 1nex n LYS 402 N 0.17 -1.92 -3.35 0.11 2.85 -1.00 -4.92 118.16 110.10 1nex n LYS 402 Ca 0.34 1.41 0.02 0.00 -1.05 0.00 0.00 58.31 59.03 1nex n LYS 402 Cb 1.26 -2.59 -0.03 0.00 -0.65 0.00 0.00 35.03 33.02 1nex n LYS 402 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 1nex s ILE 404 N -1.87 -0.78 -0.17 0.58 1.01 -0.83 -4.53 121.20 114.61 1nex s ILE 404 Ca 0.30 0.00 -0.08 0.00 0.00 0.00 0.00 60.65 60.88 1nex s ILE 404 Cb -0.04 -1.00 -0.04 0.00 0.01 0.00 0.00 42.46 41.39 1nex s ILE 404 CO 0.87 0.00 0.09 -0.13 0.00 0.00 0.00 174.94 175.76 1nex s ARG 405 N 2.79 3.89 -0.10 2.79 1.81 0.06 -0.03 118.95 130.16 1nex s ARG 405 Ca 0.04 -0.29 -0.01 0.00 -1.72 0.00 0.00 55.73 53.76 1nex s ARG 405 Cb -0.11 -3.23 -0.03 0.00 -0.45 0.00 0.00 34.95 31.13 1nex s ARG 405 CO -0.18 0.38 -0.07 0.08 -0.68 0.00 0.00 175.30 174.83 1nex s VAL 406 N 0.07 3.64 0.23 3.52 1.01 -0.45 -0.59 120.40 127.83 1nex s VAL 406 Ca 0.07 -0.48 0.06 0.00 0.00 0.00 0.00 61.98 61.63 1nex s VAL 406 Cb -0.12 -2.52 -0.05 0.00 0.00 0.00 0.00 36.38 33.69 1nex s VAL 406 CO 0.00 0.56 -0.09 -0.31 0.00 0.00 0.00 175.10 175.26 1nex s TYR 407 N -0.27 1.75 -0.35 5.22 1.51 0.15 -1.80 117.35 123.55 1nex s TYR 407 Ca 0.04 -0.69 -0.11 0.00 -1.01 0.00 0.00 57.07 55.30 1nex s TYR 407 Cb -0.13 -0.92 0.01 0.00 -0.11 0.00 0.00 41.96 40.81 1nex s TYR 407 CO 0.03 0.25 0.20 0.34 -1.11 0.00 0.00 175.55 175.25 1nex s ASP 408 N -3.35 5.74 0.09 2.29 2.15 0.19 -2.08 116.67 121.70 1nex s ASP 408 Ca 0.26 -0.76 0.24 0.00 0.43 0.00 0.00 52.55 52.72 1nex s ASP 408 Cb 0.02 -2.04 0.96 0.00 -0.30 0.00 0.00 42.92 41.56 1nex s ASP 408 CO 0.09 -0.31 1.76 -1.54 -0.17 0.00 0.00 175.17 175.00 1nex n SER 409 N 5.02 0.29 -0.09 -0.34 3.41 -0.46 -1.32 113.62 120.13 1nex n SER 409 Ca -0.13 0.54 -0.14 0.00 -0.26 0.00 0.00 58.87 58.89 1nex n SER 409 Cb 0.48 -0.61 -0.07 0.00 -0.26 0.00 0.00 64.21 63.74 1nex n SER 409 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 1nex h ILE 410 N 0.00 0.56 -0.10 -1.33 2.04 -1.93 -3.36 117.51 113.38 1nex h ILE 410 Ca 0.00 -1.68 0.00 0.00 1.00 0.00 0.00 64.86 64.18 1nex h ILE 410 Cb 0.48 1.31 0.00 0.00 -0.74 0.00 0.00 36.82 37.87 1nex h ILE 410 CO 0.00 0.19 0.00 0.59 0.00 0.00 0.00 178.15 178.93 1nex n ASN 411 N -4.53 1.23 -3.59 1.72 4.13 -1.25 -4.96 115.26 108.01 1nex n ASN 411 Ca -0.20 -1.57 -0.22 0.00 1.68 0.00 0.00 54.58 54.26 1nex n ASN 411 Cb 0.48 -0.06 0.02 0.00 -1.54 0.00 0.00 39.78 38.68 1nex n ASN 411 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1nex n LYS 412 N 0.01 -1.29 -3.58 3.52 4.01 -0.43 -5.00 118.16 115.39 1nex n LYS 412 Ca 0.17 0.79 -0.10 0.00 -0.51 0.00 0.00 58.31 58.66 1nex n LYS 412 Cb 0.27 -3.82 -0.02 0.00 -0.51 0.00 0.00 35.03 30.95 1nex n LYS 412 CO 0.00 0.00 0.00 -1.59 -1.11 0.00 0.00 177.40 174.70 1nex s LYS 413 N -5.00 1.37 0.17 1.97 -2.85 -0.57 -4.98 119.74 109.84 1nex s LYS 413 Ca 0.21 -0.61 -0.30 0.00 -1.00 0.00 0.00 55.97 54.26 1nex s LYS 413 Cb -0.08 0.56 -0.08 0.00 -2.06 0.00 0.00 37.83 36.17 1nex s LYS 413 CO 0.85 -0.61 1.29 0.12 0.10 0.00 0.00 175.35 177.10 1nex s PHE 414 N -3.70 3.31 0.00 1.78 5.36 -1.26 0.56 117.98 124.03 1nex s PHE 414 Ca 0.05 1.23 0.00 0.00 -0.96 0.00 0.00 56.93 57.25 1nex s PHE 414 Cb -0.02 -3.56 0.00 0.00 -0.34 0.00 0.00 43.02 39.10 1nex s PHE 414 CO -0.06 -1.75 0.00 1.28 -1.46 0.00 0.00 175.22 173.23 1nex n LEU 415 N 2.98 0.09 -3.99 6.12 4.77 -0.75 -4.83 117.00 121.40 1nex n LEU 415 Ca 0.07 0.02 -0.11 0.00 -0.03 0.00 0.00 56.01 55.96 1nex n LEU 415 Cb 0.43 -0.29 -0.03 0.00 -2.33 0.00 0.00 43.42 41.20 1nex n LEU 415 CO 0.57 -0.29 0.25 -1.48 -1.33 0.00 0.00 177.39 175.11 1nex s LEU 416 N -4.07 0.47 0.08 2.23 0.05 -1.17 -5.04 118.68 111.23 1nex s LEU 416 Ca 0.00 -1.15 0.09 0.00 0.05 0.00 0.00 54.13 53.12 1nex s LEU 416 Cb 0.00 1.92 -0.03 0.00 -2.05 0.00 0.00 46.19 46.03 1nex s LEU 416 CO 0.00 -1.31 -0.24 -1.58 -0.55 0.00 0.00 176.35 172.66 1nex s GLN 417 N -3.34 1.48 -0.14 1.48 0.74 -1.26 -1.34 119.66 117.27 1nex s GLN 417 Ca 0.23 -1.15 0.01 0.00 0.05 0.00 0.00 55.36 54.50 1nex s GLN 417 Cb -0.02 -1.75 -0.00 0.00 1.10 0.00 0.00 33.01 32.34 1nex s GLN 417 CO 0.13 0.43 -0.16 -0.51 -0.55 0.00 0.00 175.29 174.64 1nex s LEU 418 N -1.58 2.49 0.13 3.68 1.43 0.96 -5.00 118.68 120.80 1nex s LEU 418 Ca 0.11 -0.45 0.11 0.00 -1.03 0.00 0.00 54.13 52.87 1nex s LEU 418 Cb -0.10 -1.56 -0.04 0.00 0.03 0.00 0.00 46.19 44.52 1nex s LEU 418 CO 0.04 0.11 -0.26 -0.94 0.23 0.00 0.00 176.35 175.52 1nex s SER 419 N 0.67 3.28 0.00 2.29 1.04 -1.26 -1.97 113.70 117.75 1nex s SER 419 Ca -0.08 -0.75 0.00 0.00 0.48 0.00 0.00 55.95 55.60 1nex s SER 419 Cb -0.16 -0.22 0.00 0.00 0.10 0.00 0.00 66.02 65.75 1nex s SER 419 CO 0.02 0.17 0.00 0.61 0.98 0.00 0.00 173.24 175.02 1nex n GLY 420 N 0.88 -0.61 3.52 7.32 0.00 -1.26 -4.81 105.19 110.23 1nex n GLY 420 Ca -0.18 0.35 -0.46 0.00 0.00 0.00 0.00 46.02 45.73 1nex n GLY 420 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1nex n HIS 421 N 0.00 0.67 1.42 1.61 8.25 -1.26 -4.85 115.22 121.06 1nex n HIS 421 Ca 0.00 0.80 0.13 0.00 -0.26 0.00 0.00 57.72 58.39 1nex n HIS 421 Cb 0.00 -2.15 0.47 0.00 1.12 0.00 0.00 29.99 29.43 1nex n HIS 421 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1nex n ASP 422 N 1.57 1.63 -4.09 0.41 8.00 -1.26 -4.90 116.55 117.92 1nex n ASP 422 Ca 0.13 -1.57 -0.09 0.00 0.71 0.00 0.00 54.79 53.98 1nex n ASP 422 Cb 0.28 -0.02 -0.09 0.00 -0.02 0.00 0.00 41.12 41.27 1nex n ASP 422 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1nex s GLY 423 N -1.93 0.76 0.29 0.44 0.00 -1.26 -4.87 107.32 100.76 1nex s GLY 423 Ca 0.37 -1.29 -0.29 0.00 0.00 0.00 0.00 44.72 43.51 1nex s GLY 423 CO 0.32 -1.25 1.16 0.61 0.00 0.00 0.00 173.10 173.94 1nex n GLY 424 N -0.07 0.15 3.77 0.20 0.00 -1.26 -4.23 105.19 103.75 1nex n GLY 424 Ca -0.08 0.36 -0.39 0.00 0.00 0.00 0.00 46.02 45.92 1nex n GLY 424 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nex s VAL 425 N -0.86 4.21 0.00 1.61 1.01 -0.28 -2.39 120.40 123.70 1nex s VAL 425 Ca 0.60 1.87 0.00 0.00 0.00 0.00 0.00 61.98 64.45 1nex s VAL 425 Cb -0.67 -4.16 0.00 0.00 0.00 0.00 0.00 36.38 31.55 1nex s VAL 425 CO 0.59 0.38 0.05 0.79 0.00 0.00 0.00 175.10 176.91 1nex n TRP 426 N 1.20 0.00 -3.70 5.22 7.02 -0.85 -4.06 117.44 122.26 1nex n TRP 426 Ca -0.02 0.00 -0.11 0.00 -1.02 0.00 0.00 57.50 56.35 1nex n TRP 426 Cb 0.49 0.00 -0.11 0.00 -2.42 0.00 0.00 31.31 29.27 1nex n TRP 426 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1nex s ALA 427 N -0.23 -1.06 -0.17 6.99 0.00 -1.04 -4.74 121.76 121.50 1nex s ALA 427 Ca 0.00 1.48 -0.12 0.00 0.00 0.00 0.00 51.96 53.33 1nex s ALA 427 Cb 0.00 -0.89 0.05 0.00 0.00 0.00 0.00 23.12 22.28 1nex s ALA 427 CO 0.00 -0.26 0.43 -0.48 0.00 0.00 0.00 175.76 175.46 1nex s LEU 428 N 1.18 0.03 -0.03 0.00 0.05 -1.26 -0.53 118.68 118.12 1nex s LEU 428 Ca -0.08 0.91 0.03 0.00 0.05 0.00 0.00 54.13 55.05 1nex s LEU 428 Cb -0.07 1.45 0.00 0.00 -2.05 0.00 0.00 46.19 45.51 1nex s LEU 428 CO -0.10 -0.18 -0.13 -0.75 -0.55 0.00 0.00 176.35 174.64 1nex s LYS 429 N 0.97 1.32 0.31 1.48 2.47 -0.65 -4.78 119.74 120.86 1nex s LYS 429 Ca -0.06 -0.44 -0.06 0.00 -1.56 0.00 0.00 55.97 53.85 1nex s LYS 429 Cb -0.06 -1.19 -0.05 0.00 -1.46 0.00 0.00 37.83 35.07 1nex s LYS 429 CO -0.08 0.17 0.59 -0.47 0.16 0.00 0.00 175.35 175.72 1nex s TYR 430 N 0.11 3.48 -0.03 4.03 6.14 -1.26 -1.05 117.35 128.76 1nex s TYR 430 Ca -0.03 0.70 0.01 0.00 0.64 0.00 0.00 57.07 58.38 1nex s TYR 430 Cb -0.10 -2.15 0.02 0.00 0.42 0.00 0.00 41.96 40.15 1nex s TYR 430 CO 0.01 0.13 -0.03 0.00 0.64 0.00 0.00 175.55 176.30 1nex s ALA 431 N -2.13 0.49 0.10 3.97 0.00 0.20 -4.92 121.76 119.47 1nex s ALA 431 Ca 0.45 0.03 -0.23 0.00 0.00 0.00 0.00 51.96 52.22 1nex s ALA 431 Cb -0.11 -0.34 -0.13 0.00 0.00 0.00 0.00 23.12 22.54 1nex s ALA 431 CO 0.30 -0.02 0.49 1.58 0.00 0.00 0.00 175.76 178.11 1nex n HIS 432 N 3.97 -0.12 0.00 0.00 -0.00 -1.26 -2.33 115.22 115.47 1nex n HIS 432 Ca -0.25 0.72 0.00 0.00 0.46 0.00 0.00 57.72 58.65 1nex n HIS 432 Cb 0.51 -1.44 0.00 0.00 -0.12 0.00 0.00 29.99 28.94 1nex n HIS 432 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1nex n GLY 433 N 1.34 0.74 1.10 1.57 0.00 -1.26 -4.28 105.19 104.40 1nex n GLY 433 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1nex n GLY 433 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nex n GLY 434 N -1.60 0.72 3.88 -0.02 0.00 -1.21 -4.86 105.19 102.09 1nex n GLY 434 Ca 0.00 -0.09 -0.36 0.00 0.00 0.00 0.00 46.02 45.57 1nex n GLY 434 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1nex s ILE 435 N -2.00 5.39 0.00 -0.61 -1.09 -0.99 -0.93 121.20 120.98 1nex s ILE 435 Ca 0.00 0.27 -0.09 0.00 -2.23 0.00 0.00 60.65 58.60 1nex s ILE 435 Cb 0.00 -3.49 0.01 0.00 -1.58 0.00 0.00 42.46 37.40 1nex s ILE 435 CO 0.00 0.54 0.18 -1.48 -1.23 0.00 0.00 174.94 172.95 1nex s LEU 436 N -1.25 1.39 0.10 2.97 0.05 -1.06 0.60 118.68 121.47 1nex s LEU 436 Ca 0.20 -0.15 0.08 0.00 0.05 0.00 0.00 54.13 54.30 1nex s LEU 436 Cb -0.13 0.82 -0.04 0.00 -2.05 0.00 0.00 46.19 44.79 1nex s LEU 436 CO 0.09 -0.40 -0.14 -0.69 -0.55 0.00 0.00 176.35 174.67 1nex s VAL 437 N -1.42 3.12 0.25 1.48 1.01 -0.22 0.02 120.40 124.65 1nex s VAL 437 Ca -0.14 -1.32 0.02 0.00 0.00 0.00 0.00 61.98 60.54 1nex s VAL 437 Cb -0.07 -2.43 -0.05 0.00 0.00 0.00 0.00 36.38 33.83 1nex s VAL 437 CO 0.02 0.15 0.07 -0.94 0.00 0.00 0.00 175.10 174.40 1nex s SER 438 N -2.05 1.41 -0.13 3.32 1.04 0.24 -1.63 113.70 115.90 1nex s SER 438 Ca 0.19 -1.33 -0.11 0.00 0.48 0.00 0.00 55.95 55.18 1nex s SER 438 Cb -0.11 0.11 0.04 0.00 0.10 0.00 0.00 66.02 66.16 1nex s SER 438 CO 0.11 -0.67 0.34 -0.83 0.98 0.00 0.00 173.24 173.18 1nex s GLY 439 N -3.31 -0.26 0.31 7.32 0.00 0.30 -1.90 107.32 109.79 1nex s GLY 439 Ca 0.35 1.03 -0.00 0.00 0.00 0.00 0.00 44.72 46.10 1nex s GLY 439 CO 0.12 0.97 0.37 -1.35 0.00 0.00 0.00 173.10 173.21 1nex s SER 440 N 0.41 0.97 0.11 1.64 1.04 -1.16 -2.00 113.70 114.71 1nex s SER 440 Ca -0.02 -1.51 0.11 0.00 0.48 0.00 0.00 55.95 55.01 1nex s SER 440 Cb -0.04 0.59 0.54 0.00 0.10 0.00 0.00 66.02 67.21 1nex s SER 440 CO -0.02 -1.16 1.35 0.35 0.98 0.00 0.00 173.24 174.74 1nex n THR 441 N -0.53 1.41 1.42 2.02 -2.24 -1.01 -0.23 114.28 115.12 1nex n THR 441 Ca 0.03 0.47 0.10 0.00 -2.27 0.00 0.00 64.05 62.37 1nex n THR 441 Cb 0.62 -1.40 0.59 0.00 -2.10 0.00 0.00 70.33 68.04 1nex n THR 441 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1nex n ASP 442 N -1.77 0.00 -1.47 3.42 2.03 -1.26 -4.57 116.55 112.92 1nex n ASP 442 Ca 0.01 -0.80 -0.19 0.00 0.52 0.00 0.00 54.79 54.34 1nex n ASP 442 Cb 0.07 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.39 1nex n ASP 442 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1nex n ARG 443 N -0.94 -1.48 -4.40 -0.67 1.74 0.69 -4.90 116.66 106.70 1nex n ARG 443 Ca 0.15 1.13 -0.24 0.00 -0.77 0.00 0.00 57.85 58.12 1nex n ARG 443 Cb 0.07 -5.51 -0.09 0.00 -1.02 0.00 0.00 32.46 25.91 1nex n ARG 443 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1nex s THR 444 N -2.57 2.82 -0.26 0.55 -4.23 -1.25 -4.33 115.64 106.37 1nex s THR 444 Ca 0.00 -2.19 -0.00 0.00 -1.18 0.00 0.00 61.69 58.32 1nex s THR 444 Cb 0.00 -2.48 0.04 0.00 1.34 0.00 0.00 72.50 71.40 1nex s THR 444 CO 0.00 -0.36 -0.07 -0.69 -0.54 0.00 0.00 174.62 172.96 1nex s VAL 445 N -2.36 2.65 0.02 2.29 1.01 -0.30 -2.99 120.40 120.72 1nex s VAL 445 Ca 0.30 -1.25 0.06 0.00 0.00 0.00 0.00 61.98 61.09 1nex s VAL 445 Cb -0.06 -2.42 -0.03 0.00 0.00 0.00 0.00 36.38 33.87 1nex s VAL 445 CO 0.16 0.10 -0.17 -0.13 0.00 0.00 0.00 175.10 175.06 1nex s ARG 446 N 1.25 2.17 -0.16 2.72 0.52 -0.80 -0.59 118.95 124.06 1nex s ARG 446 Ca -0.03 -0.92 -0.03 0.00 -0.52 0.00 0.00 55.73 54.23 1nex s ARG 446 Cb -0.18 -2.23 -0.02 0.00 0.52 0.00 0.00 34.95 33.04 1nex s ARG 446 CO -0.05 0.56 -0.06 0.08 0.02 0.00 0.00 175.30 175.85 1nex s VAL 447 N -0.88 3.66 0.38 3.52 1.01 -1.08 0.80 120.40 127.81 1nex s VAL 447 Ca 0.14 -0.44 0.08 0.00 0.00 0.00 0.00 61.98 61.76 1nex s VAL 447 Cb -0.11 -2.60 -0.06 0.00 0.00 0.00 0.00 36.38 33.62 1nex s VAL 447 CO 0.04 0.49 0.03 0.26 0.00 0.00 0.00 175.10 175.93 1nex s TRP 448 N 0.47 2.53 -0.28 5.22 0.52 0.10 -1.41 118.94 126.09 1nex s TRP 448 Ca -0.05 -0.55 -0.00 0.00 0.02 0.00 0.00 56.10 55.52 1nex s TRP 448 Cb -0.15 -1.66 0.08 0.00 -1.15 0.00 0.00 33.47 30.60 1nex s TRP 448 CO 0.03 0.42 0.05 0.34 0.02 0.00 0.00 176.95 177.81 1nex s ASP 449 N -3.74 3.87 0.15 2.95 2.15 -0.44 -2.55 116.67 119.07 1nex s ASP 449 Ca 0.36 -1.45 -0.17 0.00 0.43 0.00 0.00 52.55 51.72 1nex s ASP 449 Cb 0.04 -0.97 0.07 0.00 -0.30 0.00 0.00 42.92 41.76 1nex s ASP 449 CO 0.19 -0.35 1.70 0.40 -0.17 0.00 0.00 175.17 176.94 1nex h ILE 450 N 6.55 0.74 -0.54 4.11 2.04 -1.33 1.45 117.51 130.53 1nex h ILE 450 Ca -0.14 -0.03 0.06 0.00 1.00 0.00 0.00 64.86 65.75 1nex h ILE 450 Cb 1.05 0.65 -0.09 0.00 -0.74 0.00 0.00 36.82 37.68 1nex h ILE 450 CO 0.44 0.02 -0.54 0.11 0.00 0.00 0.00 178.15 178.18 1nex h LYS 451 N 0.09 -0.29 0.00 2.37 1.79 -1.89 0.19 116.57 118.83 1nex h LYS 451 Ca 0.16 0.02 -0.01 0.00 -2.18 0.00 0.00 60.65 58.64 1nex h LYS 451 Cb 0.23 0.07 -0.00 0.00 -1.58 0.00 0.00 32.23 30.94 1nex h LYS 451 CO -0.28 -0.19 -0.07 0.87 -1.08 0.00 0.00 179.45 178.70 1nex h LYS 452 N -0.30 0.00 -3.33 3.15 1.57 -1.86 -3.47 116.57 112.33 1nex h LYS 452 Ca 0.11 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.62 1nex h LYS 452 Cb 0.56 0.00 0.05 0.00 0.08 0.00 0.00 32.23 32.92 1nex h LYS 452 CO -0.67 0.07 -0.41 0.41 -0.57 0.00 0.00 179.45 178.27 1nex n GLY 453 N 0.78 -0.09 3.30 3.86 0.00 0.49 -5.02 105.19 108.52 1nex n GLY 453 Ca 0.03 -0.16 -0.12 0.00 0.00 0.00 0.00 46.02 45.77 1nex n GLY 453 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nex n THR 456 N 5.79 0.00 -3.63 0.00 -2.24 -0.50 -3.47 114.28 110.23 1nex n THR 456 Ca -0.03 -0.03 -0.15 0.00 -2.27 0.00 0.00 64.05 61.57 1nex n THR 456 Cb 0.47 -0.03 -0.07 0.00 -2.10 0.00 0.00 70.33 68.59 1nex n THR 456 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1nex s HIS 457 N -2.81 -0.59 -0.39 4.78 3.76 -1.13 -3.68 115.29 115.22 1nex s HIS 457 Ca 0.18 1.25 0.01 0.00 -0.15 0.00 0.00 55.06 56.35 1nex s HIS 457 Cb 0.19 0.27 0.13 0.00 1.11 0.00 0.00 32.58 34.28 1nex s HIS 457 CO 0.58 -0.43 0.22 0.08 -0.85 0.00 0.00 174.74 174.33 1nex s VAL 458 N -0.45 0.83 -0.50 -0.90 1.01 -0.35 -2.63 120.40 117.41 1nex s VAL 458 Ca -0.06 -2.11 -0.25 0.00 0.00 0.00 0.00 61.98 59.55 1nex s VAL 458 Cb -0.03 -1.59 0.03 0.00 0.00 0.00 0.00 36.38 34.79 1nex s VAL 458 CO 0.05 -0.92 0.96 -0.36 0.00 0.00 0.00 175.10 174.83 1nex s PHE 459 N 0.75 2.84 0.30 5.22 2.99 0.24 -2.12 117.98 128.19 1nex s PHE 459 Ca 0.17 0.26 0.04 0.00 0.00 0.00 0.00 56.93 57.39 1nex s PHE 459 Cb -0.23 -4.07 -0.03 0.00 0.00 0.00 0.00 43.02 38.68 1nex s PHE 459 CO -0.01 -1.24 0.45 -1.21 -0.00 0.00 0.00 175.22 173.21 1nex s GLU 460 N 3.96 3.38 0.00 0.44 2.02 -1.18 -1.15 118.70 126.17 1nex s GLU 460 Ca 0.36 -0.65 0.00 0.00 0.02 0.00 0.00 54.97 54.69 1nex s GLU 460 Cb -0.11 -2.79 0.00 0.00 0.10 0.00 0.00 34.13 31.33 1nex s GLU 460 CO 0.24 0.25 0.00 0.41 0.02 0.00 0.00 175.26 176.18 1nex n GLY 461 N -1.60 0.09 3.56 -1.39 0.00 -1.26 -4.46 105.19 100.12 1nex n GLY 461 Ca -0.06 0.20 -0.53 0.00 0.00 0.00 0.00 46.02 45.63 1nex n GLY 461 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1nex n HIS 462 N 0.00 1.19 0.21 1.61 8.25 -1.26 -4.81 115.22 120.41 1nex n HIS 462 Ca 0.00 0.77 0.04 0.00 -0.26 0.00 0.00 57.72 58.27 1nex n HIS 462 Cb 0.00 -2.25 0.20 0.00 1.12 0.00 0.00 29.99 29.06 1nex n HIS 462 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1nex n ASN 463 N 2.16 3.10 -3.59 0.41 5.03 -1.26 -4.89 115.26 116.22 1nex n ASN 463 Ca 0.18 -2.36 -0.04 0.00 0.87 0.00 0.00 54.58 53.23 1nex n ASN 463 Cb 0.17 -0.51 -0.00 0.00 -1.02 0.00 0.00 39.78 38.42 1nex n ASN 463 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 1nex s SER 464 N -0.55 -0.12 0.21 6.41 0.15 -1.26 -4.88 113.70 113.66 1nex s SER 464 Ca 0.27 -0.56 -0.31 0.00 0.70 0.00 0.00 55.95 56.06 1nex s SER 464 Cb 0.19 0.54 -0.15 0.00 -1.71 0.00 0.00 66.02 64.89 1nex s SER 464 CO 0.10 -1.03 1.04 0.41 1.20 0.00 0.00 173.24 174.96 1nex n THR 465 N -0.53 1.35 -2.76 6.45 -1.04 -1.26 -4.56 114.28 111.92 1nex n THR 465 Ca -0.05 -0.34 -0.43 0.00 -2.04 0.00 0.00 64.05 61.19 1nex n THR 465 Cb 0.60 -0.78 -0.03 0.00 -1.82 0.00 0.00 70.33 68.30 1nex n THR 465 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1nex s VAL 466 N -0.56 4.54 -0.09 12.58 1.01 -1.02 -1.64 120.40 135.21 1nex s VAL 466 Ca 0.68 1.29 0.15 0.00 0.00 0.00 0.00 61.98 64.09 1nex s VAL 466 Cb -0.82 -4.37 -0.23 0.00 0.00 0.00 0.00 36.38 30.96 1nex s VAL 466 CO 0.55 -0.57 0.51 -1.14 0.00 0.00 0.00 175.10 174.45 1nex n ARG 467 N 6.88 0.65 -3.94 2.72 3.00 -0.55 -4.19 116.66 121.23 1nex n ARG 467 Ca 0.08 0.20 -0.08 0.00 -0.00 0.00 0.00 57.85 58.05 1nex n ARG 467 Cb 0.48 -1.71 -0.04 0.00 0.00 0.00 0.00 32.46 31.19 1nex n ARG 467 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1nex s LEU 469 N -2.98 -0.30 0.20 0.00 0.05 -1.26 -1.12 118.68 113.26 1nex s LEU 469 Ca 0.17 0.02 -0.16 0.00 0.05 0.00 0.00 54.13 54.21 1nex s LEU 469 Cb -0.03 1.85 0.02 0.00 -2.05 0.00 0.00 46.19 45.97 1nex s LEU 469 CO 0.08 -0.51 0.49 -0.62 -0.55 0.00 0.00 176.35 175.25 1nex s ASP 470 N -2.35 -0.21 -0.08 1.48 2.15 -0.12 -4.90 116.67 112.65 1nex s ASP 470 Ca 0.06 -0.57 0.02 0.00 0.43 0.00 0.00 52.55 52.49 1nex s ASP 470 Cb -0.01 0.57 0.02 0.00 -0.30 0.00 0.00 42.92 43.19 1nex s ASP 470 CO -0.07 -1.05 -0.12 -0.63 -0.17 0.00 0.00 175.17 173.13 1nex s ILE 471 N -3.90 1.14 0.20 4.11 1.01 -1.26 -0.46 121.20 122.04 1nex s ILE 471 Ca 0.11 -0.46 0.10 0.00 0.00 0.00 0.00 60.65 60.40 1nex s ILE 471 Cb -0.01 -1.06 -0.04 0.00 0.01 0.00 0.00 42.46 41.36 1nex s ILE 471 CO -0.01 0.36 -0.19 0.68 0.00 0.00 0.00 174.94 175.78 1nex s VAL 472 N 0.84 2.04 -0.08 2.92 -7.23 -0.54 -4.90 120.40 113.45 1nex s VAL 472 Ca -0.11 -2.09 0.04 0.00 -1.81 0.00 0.00 61.98 58.00 1nex s VAL 472 Cb -0.15 -2.03 0.00 0.00 0.56 0.00 0.00 36.38 34.77 1nex s VAL 472 CO 0.02 -0.34 -0.19 -0.70 -0.31 0.00 0.00 175.10 173.57 1nex s GLU 473 N -3.07 2.39 -0.05 4.82 2.12 -1.26 -0.70 118.70 122.96 1nex s GLU 473 Ca 0.21 -0.68 -0.01 0.00 0.36 0.00 0.00 54.97 54.84 1nex s GLU 473 Cb -0.05 -1.89 0.03 0.00 0.26 0.00 0.00 34.13 32.48 1nex s GLU 473 CO 0.09 0.15 0.03 -0.47 -0.54 0.00 0.00 175.26 174.52 1nex s TYR 474 N 0.39 0.27 -1.08 5.30 5.04 0.09 -3.32 117.35 124.04 1nex s TYR 474 Ca -0.15 0.09 -0.15 0.00 -2.44 0.00 0.00 57.07 54.43 1nex s TYR 474 Cb -0.16 -0.56 -0.03 0.00 0.35 0.00 0.00 41.96 41.56 1nex s TYR 474 CO 0.06 -0.22 0.83 1.63 -1.34 0.00 0.00 175.55 176.51 1nex n LYS 475 N 5.06 -1.57 -1.78 4.97 5.02 -1.26 -1.79 118.16 126.81 1nex n LYS 475 Ca -0.08 0.65 -0.05 0.00 -2.02 0.00 0.00 58.31 56.80 1nex n LYS 475 Cb 0.50 -4.73 -0.01 0.00 -0.02 0.00 0.00 35.03 30.76 1nex n LYS 475 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1nex n ASN 476 N -2.82 -1.84 -4.18 4.39 4.13 -1.26 -4.91 115.26 108.77 1nex n ASN 476 Ca -0.08 0.24 -0.30 0.00 1.68 0.00 0.00 54.58 56.11 1nex n ASN 476 Cb 0.60 -1.82 -0.17 0.00 -1.54 0.00 0.00 39.78 36.85 1nex n ASN 476 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1nex s ILE 477 N -1.85 1.87 -0.13 2.41 1.01 -0.74 -5.12 121.20 118.66 1nex s ILE 477 Ca 0.00 -0.91 -0.09 0.00 0.00 0.00 0.00 60.65 59.65 1nex s ILE 477 Cb 0.00 -1.63 -0.04 0.00 0.01 0.00 0.00 42.46 40.80 1nex s ILE 477 CO 0.00 0.52 0.17 -0.54 0.00 0.00 0.00 174.94 175.09 1nex s LYS 478 N 0.38 3.67 0.05 2.79 1.02 -1.26 -0.74 119.74 125.65 1nex s LYS 478 Ca -0.18 -0.10 0.07 0.00 0.02 0.00 0.00 55.97 55.79 1nex s LYS 478 Cb -0.17 -3.25 -0.03 0.00 -0.52 0.00 0.00 37.83 33.86 1nex s LYS 478 CO 0.08 0.65 -0.21 0.71 -0.92 0.00 0.00 175.35 175.66 1nex s TYR 479 N -0.68 1.80 -0.17 3.18 2.02 0.12 -1.70 117.35 121.92 1nex s TYR 479 Ca 0.14 -0.38 -0.06 0.00 -0.37 0.00 0.00 57.07 56.40 1nex s TYR 479 Cb -0.12 -1.07 -0.04 0.00 -0.40 0.00 0.00 41.96 40.34 1nex s TYR 479 CO 0.04 0.10 0.03 0.42 -1.57 0.00 0.00 175.55 174.57 1nex s ILE 480 N -0.84 4.55 -0.23 2.71 1.01 0.43 -1.47 121.20 127.36 1nex s ILE 480 Ca 0.07 -0.12 0.02 0.00 0.00 0.00 0.00 60.65 60.62 1nex s ILE 480 Cb -0.09 -3.03 0.05 0.00 0.01 0.00 0.00 42.46 39.41 1nex s ILE 480 CO 0.02 0.49 -0.12 -0.69 0.00 0.00 0.00 174.94 174.63 1nex s VAL 481 N 0.22 2.04 -0.18 2.92 1.01 0.39 -1.05 120.40 125.75 1nex s VAL 481 Ca 0.02 -1.39 -0.03 0.00 0.00 0.00 0.00 61.98 60.58 1nex s VAL 481 Cb -0.13 -2.09 -0.02 0.00 0.00 0.00 0.00 36.38 34.14 1nex s VAL 481 CO 0.01 0.11 -0.06 0.42 0.00 0.00 0.00 175.10 175.57 1nex s THR 482 N 1.19 3.46 0.15 3.92 -4.23 -0.85 -0.95 115.64 118.34 1nex s THR 482 Ca -0.05 -0.49 -0.06 0.00 -1.18 0.00 0.00 61.69 59.91 1nex s THR 482 Cb -0.18 -2.53 -0.06 0.00 1.34 0.00 0.00 72.50 71.08 1nex s THR 482 CO -0.07 0.47 0.40 -0.83 -0.54 0.00 0.00 174.62 174.04 1nex s GLY 483 N 0.82 2.24 0.24 3.99 0.00 -0.28 -1.85 107.32 112.49 1nex s GLY 483 Ca -0.02 -0.52 0.01 0.00 0.00 0.00 0.00 44.72 44.19 1nex s GLY 483 CO 0.01 -0.43 0.14 -0.45 0.00 0.00 0.00 173.10 172.38 1nex s SER 484 N -2.39 0.75 0.00 1.64 0.15 -0.52 -1.48 113.70 111.85 1nex s SER 484 Ca 0.41 -1.45 0.19 0.00 0.70 0.00 0.00 55.95 55.81 1nex s SER 484 Cb -0.12 0.35 1.14 0.00 -1.71 0.00 0.00 66.02 65.67 1nex s SER 484 CO 0.24 -0.84 1.73 0.54 1.20 0.00 0.00 173.24 176.11 1nex n ARG 485 N -0.40 1.01 -0.05 5.44 5.12 -0.65 -1.53 116.66 125.60 1nex n ARG 485 Ca 0.02 -0.01 0.12 0.00 -1.93 0.00 0.00 57.85 56.05 1nex n ARG 485 Cb 0.66 -1.30 0.43 0.00 -1.16 0.00 0.00 32.46 31.09 1nex n ARG 485 CO 0.00 0.00 0.00 -0.40 -1.93 0.00 0.00 177.63 175.30 1nex n ASP 486 N -0.79 1.66 0.00 0.55 5.68 -1.26 -4.48 116.55 117.92 1nex n ASP 486 Ca 0.14 -1.63 0.00 0.00 -0.50 0.00 0.00 54.79 52.80 1nex n ASP 486 Cb 0.07 -0.06 0.00 0.00 -1.14 0.00 0.00 41.12 39.99 1nex n ASP 486 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1nex n ASN 487 N 0.31 -0.13 -4.77 -1.12 5.03 -1.04 -4.98 115.26 108.55 1nex n ASN 487 Ca 0.17 0.00 -0.28 0.00 0.87 0.00 0.00 54.58 55.34 1nex n ASN 487 Cb 0.35 -0.02 -0.06 0.00 -1.02 0.00 0.00 39.78 39.03 1nex n ASN 487 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 1nex s THR 488 N -3.57 1.69 -0.23 3.41 -4.23 -1.26 -3.71 115.64 107.74 1nex s THR 488 Ca 0.00 -1.79 -0.02 0.00 -1.18 0.00 0.00 61.69 58.70 1nex s THR 488 Cb 0.00 -2.49 0.07 0.00 1.34 0.00 0.00 72.50 71.43 1nex s THR 488 CO 0.00 0.00 0.05 -0.76 -0.54 0.00 0.00 174.62 173.37 1nex s LEU 489 N -3.96 1.48 0.30 4.79 1.02 -1.00 -1.44 118.68 119.86 1nex s LEU 489 Ca 0.26 -1.07 -0.23 0.00 0.02 0.00 0.00 54.13 53.11 1nex s LEU 489 Cb 0.02 -0.68 -0.09 0.00 0.02 0.00 0.00 46.19 45.46 1nex s LEU 489 CO 0.15 -0.34 0.86 -1.00 0.02 0.00 0.00 176.35 176.04 1nex s HIS 490 N 1.79 3.63 -0.12 0.29 3.76 -0.77 0.27 115.29 124.14 1nex s HIS 490 Ca 0.02 1.61 0.03 0.00 -0.15 0.00 0.00 55.06 56.58 1nex s HIS 490 Cb -0.17 -2.80 0.00 0.00 1.11 0.00 0.00 32.58 30.72 1nex s HIS 490 CO -0.14 0.22 -0.23 0.08 -0.85 0.00 0.00 174.74 173.82 1nex s VAL 491 N -1.65 2.13 0.13 -0.90 1.01 0.43 -2.00 120.40 119.55 1nex s VAL 491 Ca 0.49 -0.98 0.06 0.00 0.00 0.00 0.00 61.98 61.55 1nex s VAL 491 Cb -0.17 -1.83 -0.04 0.00 0.00 0.00 0.00 36.38 34.34 1nex s VAL 491 CO 0.22 0.55 -0.14 0.26 0.00 0.00 0.00 175.10 175.99 1nex s TRP 492 N 0.50 1.44 -0.08 5.22 0.52 -0.21 -0.65 118.94 125.69 1nex s TRP 492 Ca -0.15 -0.56 -0.12 0.00 0.02 0.00 0.00 56.10 55.30 1nex s TRP 492 Cb -0.17 -0.75 -0.05 0.00 -1.15 0.00 0.00 33.47 31.35 1nex s TRP 492 CO 0.05 0.16 0.30 -1.59 0.02 0.00 0.00 176.95 175.90 1nex s LYS 493 N -2.75 3.87 -0.28 4.98 -2.85 0.51 0.16 119.74 123.37 1nex s LYS 493 Ca 0.10 0.17 -0.29 0.00 -1.00 0.00 0.00 55.97 54.95 1nex s LYS 493 Cb -0.05 -3.27 -0.02 0.00 -2.06 0.00 0.00 37.83 32.44 1nex s LYS 493 CO 0.03 0.60 1.57 -1.17 0.10 0.00 0.00 175.35 176.48 1nex s LEU 494 N -0.65 3.77 0.38 2.77 2.96 -0.69 -4.82 118.68 122.39 1nex s LEU 494 Ca 0.19 1.38 -0.24 0.00 -0.22 0.00 0.00 54.13 55.24 1nex s LEU 494 Cb -0.14 -3.53 -0.13 0.00 0.50 0.00 0.00 46.19 42.88 1nex s LEU 494 CO 0.08 -1.35 0.62 -2.65 -1.32 0.00 0.00 176.35 171.73 1nex n PRO 495 N 7.83 0.64 -0.11 0.98 -0.02 -1.26 -4.84 135.00 138.22 1nex n PRO 495 Ca 0.19 0.23 -0.06 0.00 -2.02 0.00 0.00 63.50 61.84 1nex n PRO 495 Cb 0.46 -1.52 0.01 0.00 -0.02 0.00 0.00 33.50 32.43 1nex n PRO 495 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1nex h LYS 496 N 1.00 -0.11 0.00 -0.52 1.79 -2.00 -3.52 116.57 113.21 1nex h LYS 496 Ca -0.39 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.09 1nex h LYS 496 Cb 1.39 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 32.07 1nex h LYS 496 CO 0.53 -0.07 0.00 -0.40 -1.08 0.00 0.00 179.45 178.43 1nex n ASP 508 N -5.36 0.00 -0.36 0.86 5.75 -1.26 -5.25 116.55 110.93 1nex n ASP 508 Ca 0.02 0.00 0.30 0.00 -0.01 0.00 0.00 54.79 55.10 1nex n ASP 508 Cb 0.27 0.00 0.61 0.00 -1.03 0.00 0.00 41.12 40.97 1nex n ASP 508 CO 0.00 0.00 0.00 1.88 -0.11 0.00 0.00 177.20 178.97 1nex h TYR 509 N 0.00 0.43 -0.16 2.11 0.99 -1.92 -3.34 116.97 115.08 1nex h TYR 509 Ca 0.00 0.02 -0.36 0.00 2.00 0.00 0.00 58.73 60.39 1nex h TYR 509 Cb 0.00 -0.12 0.03 0.00 1.00 0.00 0.00 36.73 37.64 1nex h TYR 509 CO 0.00 -0.01 1.08 -2.30 -0.00 0.00 0.00 178.16 176.93 1nex n PRO 510 N -4.50 0.80 -2.55 4.88 -0.02 -1.23 -4.17 135.00 128.22 1nex n PRO 510 Ca 0.28 -1.81 -0.42 0.00 -2.02 0.00 0.00 63.50 59.54 1nex n PRO 510 Cb 1.11 -3.36 -0.03 0.00 -0.02 0.00 0.00 33.50 31.20 1nex n PRO 510 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1nex s LEU 511 N 8.51 3.30 0.11 2.45 1.43 -1.24 -4.91 118.68 128.32 1nex s LEU 511 Ca 0.70 -0.16 -0.12 0.00 -1.03 0.00 0.00 54.13 53.52 1nex s LEU 511 Cb 0.05 -2.85 -0.06 0.00 0.03 0.00 0.00 46.19 43.35 1nex s LEU 511 CO 0.20 -1.68 0.47 -0.69 0.23 0.00 0.00 176.35 174.87 1nex s VAL 512 N 5.46 4.98 -0.41 -1.59 1.01 -1.26 -1.21 120.40 127.37 1nex s VAL 512 Ca 0.40 0.64 0.02 0.00 0.00 0.00 0.00 61.98 63.04 1nex s VAL 512 Cb -0.08 -3.69 0.13 0.00 0.00 0.00 0.00 36.38 32.74 1nex s VAL 512 CO 0.20 0.28 0.20 -0.36 0.00 0.00 0.00 175.10 175.43 1nex s PHE 513 N -1.41 2.04 0.42 5.22 0.40 -0.90 -4.94 117.98 118.80 1nex s PHE 513 Ca 0.35 -2.34 0.23 0.00 -0.60 0.00 0.00 56.93 54.57 1nex s PHE 513 Cb -0.15 -1.92 1.29 0.00 0.51 0.00 0.00 43.02 42.75 1nex s PHE 513 CO 0.18 -0.81 2.03 0.45 0.70 0.00 0.00 175.22 177.78 1nex h HIS 514 N 7.01 0.00 -3.40 0.36 3.86 -1.91 -3.13 115.15 117.94 1nex h HIS 514 Ca -0.04 0.00 -0.64 0.00 -1.16 0.00 0.00 60.37 58.54 1nex h HIS 514 Cb 0.95 0.00 -0.33 0.00 1.06 0.00 0.00 27.41 29.09 1nex h HIS 514 CO 0.46 0.15 -0.86 0.99 0.86 0.00 0.00 177.93 179.53 1nex s THR 515 N -4.29 1.82 0.19 2.45 2.01 -1.26 -4.75 115.64 111.82 1nex s THR 515 Ca -0.03 -0.88 -0.12 0.00 0.31 0.00 0.00 61.69 60.97 1nex s THR 515 Cb 0.14 -1.59 0.11 0.00 0.01 0.00 0.00 72.50 71.17 1nex s THR 515 CO 0.62 0.51 1.83 -0.65 -0.69 0.00 0.00 174.62 176.24 1nex h PRO 516 N 6.73 0.87 -0.87 4.92 0.11 -1.82 -1.80 132.00 140.15 1nex h PRO 516 Ca -0.23 -0.08 0.09 0.00 0.11 0.00 0.00 66.00 65.89 1nex h PRO 516 Cb 1.22 -0.18 -0.06 0.00 0.11 0.00 0.00 31.00 32.09 1nex h PRO 516 CO 0.47 0.62 0.56 0.93 -0.21 0.00 0.00 178.00 180.38 1nex h GLU 517 N 0.87 0.86 0.00 1.05 4.39 -1.97 -1.89 114.58 117.89 1nex h GLU 517 Ca 0.23 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.88 1nex h GLU 517 Cb -0.03 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 28.43 1nex h GLU 517 CO -0.04 0.57 -0.63 0.39 -1.16 0.00 0.00 179.01 178.13 1nex n GLU 518 N -4.52 0.18 -2.46 2.33 1.02 -1.08 -4.82 120.64 111.29 1nex n GLU 518 Ca 0.14 0.04 -0.42 0.00 -0.02 0.00 0.00 57.16 56.90 1nex n GLU 518 Cb 0.28 -1.60 -0.02 0.00 -0.02 0.00 0.00 31.44 30.08 1nex n GLU 518 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 1nex s ASN 519 N -3.71 6.29 0.41 1.62 3.04 -0.70 -4.90 114.94 116.99 1nex s ASN 519 Ca 0.08 0.33 0.18 0.00 0.04 0.00 0.00 52.86 53.48 1nex s ASN 519 Cb 0.15 -2.55 1.08 0.00 -1.54 0.00 0.00 41.25 38.40 1nex s ASN 519 CO 0.72 -1.57 1.82 -0.65 -3.04 0.00 0.00 177.10 174.38 1nex h PRO 520 N 10.44 0.40 0.00 0.43 0.11 -1.88 -0.61 132.00 140.90 1nex h PRO 520 Ca -0.26 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1nex h PRO 520 Cb 1.08 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.10 1nex h PRO 520 CO 1.16 0.27 0.00 1.88 -0.21 0.00 0.00 178.00 181.10 1nex h TYR 521 N 0.41 0.00 -4.06 0.65 0.05 -1.90 -3.46 116.97 108.67 1nex h TYR 521 Ca 0.53 0.00 -0.52 0.00 0.05 0.00 0.00 58.73 58.78 1nex h TYR 521 Cb 1.32 0.00 0.10 0.00 1.01 0.00 0.00 36.73 39.15 1nex h TYR 521 CO -0.00 0.00 0.50 0.12 -1.05 0.00 0.00 178.16 177.73 1nex s PHE 522 N -3.28 2.55 0.00 4.88 5.36 -0.24 -0.37 117.98 126.88 1nex s PHE 522 Ca 0.07 1.50 0.00 0.00 -0.96 0.00 0.00 56.93 57.53 1nex s PHE 522 Cb 0.08 -3.49 0.00 0.00 -0.34 0.00 0.00 43.02 39.27 1nex s PHE 522 CO 0.59 -2.06 0.00 0.28 -1.46 0.00 0.00 175.22 172.57 1nex n VAL 523 N -1.10 0.00 0.00 3.12 0.31 0.18 -4.83 118.33 116.01 1nex n VAL 523 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.44 1nex n VAL 523 Cb 0.48 -1.08 0.00 0.00 -0.91 0.00 0.00 33.84 32.34 1nex n VAL 523 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1nex n GLY 524 N 2.88 -0.66 3.30 2.92 0.00 -1.13 -4.99 105.19 107.51 1nex n GLY 524 Ca 0.00 -1.22 -0.32 0.00 0.00 0.00 0.00 46.02 44.48 1nex n GLY 524 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1nex s VAL 525 N -2.00 2.40 -0.52 1.61 -7.23 -1.26 -0.43 120.40 112.97 1nex s VAL 525 Ca 0.00 -0.92 -0.19 0.00 -1.81 0.00 0.00 61.98 59.06 1nex s VAL 525 Cb 0.00 -1.93 0.06 0.00 0.56 0.00 0.00 36.38 35.08 1nex s VAL 525 CO 0.00 0.56 0.65 -0.76 -0.31 0.00 0.00 175.10 175.24 1nex s LEU 526 N 0.03 4.99 -0.11 1.32 2.01 0.14 -4.92 118.68 122.15 1nex s LEU 526 Ca -0.08 -0.98 -0.08 0.00 0.01 0.00 0.00 54.13 53.00 1nex s LEU 526 Cb -0.15 -2.44 -0.04 0.00 0.01 0.00 0.00 46.19 43.57 1nex s LEU 526 CO 0.05 -0.95 0.18 -0.13 1.01 0.00 0.00 176.35 176.52 1nex s ARG 527 N 2.71 3.58 0.00 1.70 0.52 -1.26 -2.38 118.95 123.81 1nex s ARG 527 Ca 0.15 -0.05 0.00 0.00 -0.52 0.00 0.00 55.73 55.31 1nex s ARG 527 Cb -0.20 -3.21 0.00 0.00 0.52 0.00 0.00 34.95 32.06 1nex s ARG 527 CO 0.11 0.72 0.00 0.41 0.02 0.00 0.00 175.30 176.57 1nex n GLY 528 N 2.09 0.48 0.00 -3.53 0.00 -1.26 -5.01 105.19 97.96 1nex n GLY 528 Ca -0.19 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1nex n GLY 528 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1nex n HIS 529 N 0.00 -0.14 0.00 1.61 8.25 -1.24 -5.14 115.22 118.56 1nex n HIS 529 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1nex n HIS 529 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1nex n HIS 529 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1nex n ALA 531 N -3.00 0.00 -1.55 -1.41 0.00 -1.26 -4.78 120.51 108.51 1nex n ALA 531 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 53.44 52.92 1nex n ALA 531 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 1nex n ALA 531 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1nex n SER 532 N 0.00 0.88 -4.51 0.00 2.88 -1.26 -4.24 113.62 107.37 1nex n SER 532 Ca 0.00 1.14 -0.42 0.00 -1.33 0.00 0.00 58.87 58.26 1nex n SER 532 Cb 0.00 -1.12 -0.03 0.00 -0.75 0.00 0.00 64.21 62.30 1nex n SER 532 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1nex s VAL 533 N -0.08 3.98 0.12 2.46 1.01 -0.58 -1.59 120.40 125.73 1nex s VAL 533 Ca 0.79 0.05 0.03 0.00 0.00 0.00 0.00 61.98 62.84 1nex s VAL 533 Cb -0.97 -4.82 -0.22 0.00 0.00 0.00 0.00 36.38 30.37 1nex s VAL 533 CO 0.52 -1.69 1.26 -0.09 0.00 0.00 0.00 175.10 175.10 1nex h ARG 534 N 9.82 0.12 -4.15 2.72 9.65 -1.02 -3.38 114.38 128.14 1nex h ARG 534 Ca -0.27 -0.19 -0.11 0.00 -1.10 0.00 0.00 59.98 58.30 1nex h ARG 534 Cb 1.06 0.07 -0.15 0.00 -1.39 0.00 0.00 29.97 29.56 1nex h ARG 534 CO 1.24 1.05 -0.62 -0.08 2.80 0.00 0.00 179.97 184.36 1nex s THR 535 N -2.80 0.20 -0.16 0.20 -1.32 -0.93 -4.71 115.64 106.11 1nex s THR 535 Ca -0.01 -1.68 -0.09 0.00 -1.21 0.00 0.00 61.69 58.69 1nex s THR 535 Cb 0.09 -1.47 0.05 0.00 -1.51 0.00 0.00 72.50 69.66 1nex s THR 535 CO 0.84 -0.93 0.38 -0.69 -2.21 0.00 0.00 174.62 172.02 1nex s VAL 536 N -3.88 -0.02 -0.03 5.08 1.01 -1.26 -1.20 120.40 120.10 1nex s VAL 536 Ca 0.06 0.09 0.01 0.00 0.00 0.00 0.00 61.98 62.14 1nex s VAL 536 Cb 0.07 -0.57 0.02 0.00 0.00 0.00 0.00 36.38 35.91 1nex s VAL 536 CO -0.10 0.04 -0.01 -0.55 0.00 0.00 0.00 175.10 174.47 1nex s SER 537 N 1.19 0.47 0.24 3.32 0.15 -0.17 -4.80 113.70 114.11 1nex s SER 537 Ca -0.08 -0.05 -0.09 0.00 0.70 0.00 0.00 55.95 56.43 1nex s SER 537 Cb -0.08 -0.22 -0.01 0.00 -1.71 0.00 0.00 66.02 64.00 1nex s SER 537 CO -0.10 -0.07 0.39 -0.83 1.20 0.00 0.00 173.24 173.83 1nex s GLY 538 N 0.81 0.80 -0.29 9.45 0.00 -1.26 0.62 107.32 117.45 1nex s GLY 538 Ca -0.09 -1.11 -0.16 0.00 0.00 0.00 0.00 44.72 43.36 1nex s GLY 538 CO -0.01 -0.83 0.99 -1.58 0.00 0.00 0.00 173.10 171.66 1nex s HIS 539 N -4.00 -0.55 0.00 1.90 2.46 -0.24 -4.90 115.29 109.96 1nex s HIS 539 Ca 0.27 1.10 0.00 0.00 0.47 0.00 0.00 55.06 56.90 1nex s HIS 539 Cb 0.01 0.33 0.00 0.00 -0.13 0.00 0.00 32.58 32.79 1nex s HIS 539 CO 0.10 -0.27 0.00 0.41 -2.47 0.00 0.00 174.74 172.51 1nex n GLY 540 N 3.66 1.84 0.47 1.59 0.00 -1.21 -2.35 105.19 109.19 1nex n GLY 540 Ca -0.18 -0.53 0.03 0.00 0.00 0.00 0.00 46.02 45.33 1nex n GLY 540 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1nex n ASN 541 N -0.61 1.31 -4.23 1.61 6.94 -1.26 -4.33 115.26 114.70 1nex n ASN 541 Ca 0.00 -2.06 -0.32 0.00 -0.02 0.00 0.00 54.58 52.18 1nex n ASN 541 Cb 0.00 -0.22 -0.16 0.00 -2.36 0.00 0.00 39.78 37.03 1nex n ASN 541 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 1nex s ILE 542 N -1.68 2.27 0.04 1.53 -1.09 -0.99 -1.04 121.20 120.24 1nex s ILE 542 Ca 0.13 -0.92 0.05 0.00 -2.23 0.00 0.00 60.65 57.68 1nex s ILE 542 Cb 0.08 -1.91 -0.02 0.00 -1.58 0.00 0.00 42.46 39.03 1nex s ILE 542 CO 0.08 0.54 -0.13 -0.69 -1.23 0.00 0.00 174.94 173.51 1nex s VAL 543 N 0.59 1.05 -0.05 2.92 1.01 -0.80 -1.08 120.40 124.04 1nex s VAL 543 Ca -0.12 -1.04 0.05 0.00 0.00 0.00 0.00 61.98 60.87 1nex s VAL 543 Cb -0.16 -0.97 -0.00 0.00 0.00 0.00 0.00 36.38 35.24 1nex s VAL 543 CO 0.03 -0.06 -0.19 -0.69 0.00 0.00 0.00 175.10 174.19 1nex s VAL 544 N -0.94 1.58 0.07 2.92 1.01 0.20 -0.39 120.40 124.84 1nex s VAL 544 Ca 0.00 -0.79 0.08 0.00 0.00 0.00 0.00 61.98 61.27 1nex s VAL 544 Cb -0.08 -1.35 -0.03 0.00 0.00 0.00 0.00 36.38 34.92 1nex s VAL 544 CO 0.01 0.45 -0.22 -0.94 0.00 0.00 0.00 175.10 174.40 1nex s SER 545 N 0.02 2.68 -0.07 3.32 1.04 -0.52 -1.00 113.70 119.17 1nex s SER 545 Ca -0.04 -0.61 0.04 0.00 0.48 0.00 0.00 55.95 55.82 1nex s SER 545 Cb -0.12 -0.20 -0.02 0.00 0.10 0.00 0.00 66.02 65.78 1nex s SER 545 CO 0.03 0.15 -0.20 -0.83 0.98 0.00 0.00 173.24 173.37 1nex s GLY 546 N -1.50 1.41 0.49 7.32 0.00 -0.34 -1.35 107.32 113.34 1nex s GLY 546 Ca 0.08 -1.00 0.02 0.00 0.00 0.00 0.00 44.72 43.83 1nex s GLY 546 CO 0.03 -0.59 0.02 -0.45 0.00 0.00 0.00 173.10 172.11 1nex s SER 547 N -0.22 3.88 0.01 1.64 0.15 -0.55 -0.42 113.70 118.18 1nex s SER 547 Ca -0.01 -1.64 0.26 0.00 0.70 0.00 0.00 55.95 55.26 1nex s SER 547 Cb -0.13 0.46 0.69 0.00 -1.71 0.00 0.00 66.02 65.33 1nex s SER 547 CO 0.03 -0.84 1.55 -1.22 1.20 0.00 0.00 173.24 173.96 1nex n TYR 548 N -1.18 0.05 1.40 3.44 4.02 -0.62 -1.69 117.16 122.58 1nex n TYR 548 Ca -0.16 0.01 0.01 0.00 -0.01 0.00 0.00 57.90 57.76 1nex n TYR 548 Cb 0.67 -0.35 0.08 0.00 -0.02 0.00 0.00 39.34 39.72 1nex n TYR 548 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 1nex n ASP 549 N -1.55 0.00 -0.38 7.72 5.68 -1.26 -4.15 116.55 122.61 1nex n ASP 549 Ca 0.06 -1.31 -0.05 0.00 -0.50 0.00 0.00 54.79 52.98 1nex n ASP 549 Cb 0.34 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 40.30 1nex n ASP 549 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1nex n ASN 550 N -0.56 -3.75 -4.47 -1.12 4.13 -1.22 -4.92 115.26 103.35 1nex n ASN 550 Ca 0.02 0.12 -0.23 0.00 1.68 0.00 0.00 54.58 56.18 1nex n ASN 550 Cb 0.01 -1.68 -0.11 0.00 -1.54 0.00 0.00 39.78 36.46 1nex n ASN 550 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 1nex s THR 551 N -2.13 1.50 0.03 3.41 -1.32 -1.26 -4.36 115.64 111.51 1nex s THR 551 Ca 0.00 -2.05 0.02 0.00 -1.21 0.00 0.00 61.69 58.46 1nex s THR 551 Cb 0.00 -2.70 -0.02 0.00 -1.51 0.00 0.00 72.50 68.27 1nex s THR 551 CO 0.00 -0.11 -0.08 -0.76 -2.21 0.00 0.00 174.62 171.46 1nex s LEU 552 N -3.51 2.17 -0.04 9.08 1.02 -1.04 -1.49 118.68 124.87 1nex s LEU 552 Ca 0.34 -0.40 0.02 0.00 0.02 0.00 0.00 54.13 54.11 1nex s LEU 552 Cb 0.07 -0.26 0.01 0.00 0.02 0.00 0.00 46.19 46.03 1nex s LEU 552 CO 0.15 -0.09 -0.10 -0.63 0.02 0.00 0.00 176.35 175.70 1nex s ILE 553 N -0.92 0.94 -0.38 -0.59 1.01 -0.46 -0.83 121.20 119.96 1nex s ILE 553 Ca -0.05 -0.40 -0.16 0.00 0.00 0.00 0.00 60.65 60.04 1nex s ILE 553 Cb -0.07 -0.86 0.01 0.00 0.01 0.00 0.00 42.46 41.55 1nex s ILE 553 CO 0.00 0.30 0.37 -0.69 0.00 0.00 0.00 174.94 174.92 1nex s VAL 554 N 0.45 5.16 0.05 2.92 1.01 -0.27 -1.44 120.40 128.28 1nex s VAL 554 Ca -0.09 -0.24 0.00 0.00 0.00 0.00 0.00 61.98 61.65 1nex s VAL 554 Cb -0.12 -3.91 -0.04 0.00 0.00 0.00 0.00 36.38 32.30 1nex s VAL 554 CO 0.02 -0.25 0.16 0.26 0.00 0.00 0.00 175.10 175.29 1nex s TRP 555 N 1.98 3.43 -0.95 5.22 0.52 0.47 0.60 118.94 130.21 1nex s TRP 555 Ca 0.10 0.22 -0.05 0.00 0.02 0.00 0.00 56.10 56.39 1nex s TRP 555 Cb -0.17 -1.74 0.24 0.00 -1.15 0.00 0.00 33.47 30.65 1nex s TRP 555 CO 0.12 0.58 0.88 0.34 0.02 0.00 0.00 176.95 178.89 1nex s ASP 556 N -2.33 6.49 0.35 2.95 -1.08 -0.55 -1.91 116.67 120.59 1nex s ASP 556 Ca 0.31 -3.56 0.17 0.00 -0.52 0.00 0.00 52.55 48.95 1nex s ASP 556 Cb -0.13 -2.03 1.20 0.00 -1.46 0.00 0.00 42.92 40.50 1nex s ASP 556 CO 0.24 -0.26 1.61 0.58 0.52 0.00 0.00 175.17 177.86 1nex h VAL 557 N 4.04 0.11 0.06 1.11 2.07 -1.37 0.83 116.25 123.10 1nex h VAL 557 Ca 0.15 -0.04 0.02 0.00 0.82 0.00 0.00 66.70 67.65 1nex h VAL 557 Cb 0.86 -0.01 -0.03 0.00 -1.52 0.00 0.00 31.29 30.58 1nex h VAL 557 CO 0.90 0.02 -0.22 0.00 0.02 0.00 0.00 177.57 178.29 1nex h ALA 558 N 1.94 -0.33 -3.00 1.67 0.00 -1.92 -3.44 119.26 114.18 1nex h ALA 558 Ca 0.78 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.67 1nex h ALA 558 Cb 1.95 0.36 0.00 0.00 0.00 0.00 0.00 17.79 20.10 1nex h ALA 558 CO -0.72 -0.73 0.00 1.04 0.00 0.00 0.00 179.25 178.84 1nex n GLN 559 N -5.34 0.00 0.00 0.00 6.02 0.28 -5.21 117.38 113.12 1nex n GLN 559 Ca -0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.93 1nex n GLN 559 Cb 0.26 -0.28 0.00 0.00 1.02 0.00 0.00 30.24 31.24 1nex n GLN 559 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1nex n LYS 561 N -0.75 0.00 -2.42 -1.09 5.02 -1.19 -5.00 118.16 112.73 1nex n LYS 561 Ca 0.00 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.87 1nex n LYS 561 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 34.98 1nex n LYS 561 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1nex n LEU 563 N 3.77 1.95 -3.96 0.00 4.77 0.20 -4.92 117.00 118.81 1nex n LEU 563 Ca 0.08 0.34 -0.09 0.00 -0.03 0.00 0.00 56.01 56.32 1nex n LEU 563 Cb 0.46 -0.80 -0.09 0.00 -2.33 0.00 0.00 43.42 40.65 1nex n LEU 563 CO 0.55 0.33 -0.25 -0.31 -1.33 0.00 0.00 177.39 176.38 1nex s TYR 564 N -2.61 0.26 -0.28 -1.77 2.02 -1.10 -4.96 117.35 108.92 1nex s TYR 564 Ca -0.36 -0.62 0.03 0.00 -0.37 0.00 0.00 57.07 55.75 1nex s TYR 564 Cb 0.12 -0.19 0.07 0.00 -0.40 0.00 0.00 41.96 41.56 1nex s TYR 564 CO 0.47 -0.36 -0.05 0.42 -1.57 0.00 0.00 175.55 174.46 1nex s ILE 565 N -2.80 2.00 -0.43 2.71 1.01 -1.26 -1.11 121.20 121.31 1nex s ILE 565 Ca -0.03 -1.70 -0.25 0.00 0.00 0.00 0.00 60.65 58.66 1nex s ILE 565 Cb -0.00 -2.24 0.02 0.00 0.01 0.00 0.00 42.46 40.25 1nex s ILE 565 CO -0.06 -0.21 0.92 -0.76 0.00 0.00 0.00 174.94 174.84 1nex s LEU 566 N 1.14 4.00 0.10 2.97 1.43 -0.01 -4.97 118.68 123.35 1nex s LEU 566 Ca -0.03 0.26 0.10 0.00 -1.03 0.00 0.00 54.13 53.44 1nex s LEU 566 Cb -0.19 -3.21 -0.04 0.00 0.03 0.00 0.00 46.19 42.78 1nex s LEU 566 CO -0.07 -0.98 -0.27 -0.44 0.23 0.00 0.00 176.35 174.82 1nex s SER 567 N 2.14 3.28 0.00 2.29 0.01 -1.26 -2.49 113.70 117.67 1nex s SER 567 Ca 0.37 -0.70 0.00 0.00 1.31 0.00 0.00 55.95 56.93 1nex s SER 567 Cb -0.11 -0.24 0.00 0.00 0.21 0.00 0.00 66.02 65.88 1nex s SER 567 CO 0.24 0.20 0.00 0.61 0.41 0.00 0.00 173.24 174.70 1nex n GLY 568 N 1.16 2.22 3.72 3.44 0.00 -1.26 -5.02 105.19 109.45 1nex n GLY 568 Ca -0.18 -0.21 -0.39 0.00 0.00 0.00 0.00 46.02 45.24 1nex n GLY 568 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1nex n HIS 569 N 0.00 2.09 -0.93 1.61 8.25 -1.26 -4.89 115.22 120.09 1nex n HIS 569 Ca 0.00 0.45 0.08 0.00 -0.26 0.00 0.00 57.72 57.99 1nex n HIS 569 Cb 0.00 -2.35 0.36 0.00 1.12 0.00 0.00 29.99 29.12 1nex n HIS 569 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1nex n THR 570 N -0.80 2.58 -3.82 1.59 -2.24 -1.26 -4.90 114.28 105.43 1nex n THR 570 Ca 0.09 -1.57 -0.06 0.00 -2.27 0.00 0.00 64.05 60.25 1nex n THR 570 Cb 0.43 -0.26 -0.02 0.00 -2.10 0.00 0.00 70.33 68.39 1nex n THR 570 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1nex s ASP 571 N -1.18 -0.23 0.38 3.42 -1.08 -1.26 -4.91 116.67 111.80 1nex s ASP 571 Ca 0.50 -0.53 -0.26 0.00 -0.52 0.00 0.00 52.55 51.74 1nex s ASP 571 Cb 0.39 0.64 -0.12 0.00 -1.46 0.00 0.00 42.92 42.38 1nex s ASP 571 CO 0.14 -1.19 1.02 -2.11 0.52 0.00 0.00 175.17 173.55 1nex n ARG 572 N -0.46 1.40 -3.30 4.34 1.85 -1.26 -4.33 116.66 114.90 1nex n ARG 572 Ca -0.05 0.50 -0.38 0.00 -1.00 0.00 0.00 57.85 56.92 1nex n ARG 572 Cb 0.60 -2.00 -0.06 0.00 -1.05 0.00 0.00 32.46 29.95 1nex n ARG 572 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 1nex s ILE 573 N -1.21 5.10 -1.20 8.89 1.09 -0.68 -4.43 121.20 128.76 1nex s ILE 573 Ca 0.61 1.02 0.10 0.00 -1.10 0.00 0.00 60.65 61.28 1nex s ILE 573 Cb -0.60 -3.84 0.06 0.00 -1.06 0.00 0.00 42.46 37.03 1nex s ILE 573 CO 0.58 0.37 0.78 -1.22 -0.10 0.00 0.00 174.94 175.36 1nex n TYR 574 N 3.24 0.00 -3.64 3.97 4.01 -0.30 -4.51 117.16 119.93 1nex n TYR 574 Ca -0.08 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.61 1nex n TYR 574 Cb 0.52 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.48 1nex n TYR 574 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1nex s SER 575 N -0.95 -0.20 0.03 7.72 0.15 -1.17 -4.75 113.70 114.52 1nex s SER 575 Ca 0.11 0.38 -0.07 0.00 0.70 0.00 0.00 55.95 57.07 1nex s SER 575 Cb 0.08 0.39 -0.00 0.00 -1.71 0.00 0.00 66.02 64.78 1nex s SER 575 CO 0.15 -0.07 0.14 0.28 1.20 0.00 0.00 173.24 174.95 1nex s THR 576 N 0.09 0.11 -0.01 6.45 -1.32 -1.26 0.16 115.64 119.86 1nex s THR 576 Ca 0.06 -0.91 0.02 0.00 -1.21 0.00 0.00 61.69 59.65 1nex s THR 576 Cb -0.05 -0.76 0.00 0.00 -1.51 0.00 0.00 72.50 70.18 1nex s THR 576 CO -0.12 -0.50 -0.06 -0.63 -2.21 0.00 0.00 174.62 171.10 1nex s ILE 577 N -2.23 0.53 -0.48 5.08 1.01 0.70 -4.56 121.20 121.25 1nex s ILE 577 Ca -0.08 -0.25 -0.16 0.00 0.00 0.00 0.00 60.65 60.16 1nex s ILE 577 Cb -0.03 -0.47 0.08 0.00 0.01 0.00 0.00 42.46 42.05 1nex s ILE 577 CO -0.02 0.16 0.41 -0.47 0.00 0.00 0.00 174.94 175.02 1nex s TYR 578 N 0.06 3.24 -1.13 3.97 5.04 -1.26 -0.99 117.35 126.27 1nex s TYR 578 Ca -0.00 -0.98 -0.19 0.00 -2.44 0.00 0.00 57.07 53.46 1nex s TYR 578 Cb -0.05 -3.27 0.09 0.00 0.35 0.00 0.00 41.96 39.08 1nex s TYR 578 CO -0.00 -0.83 1.50 0.34 -1.34 0.00 0.00 175.55 175.21 1nex s ASP 579 N 2.76 6.74 0.15 4.32 -1.08 -0.33 -4.81 116.67 124.41 1nex s ASP 579 Ca 0.04 -2.15 -0.15 0.00 -0.52 0.00 0.00 52.55 49.76 1nex s ASP 579 Cb -0.25 -2.52 0.02 0.00 -1.46 0.00 0.00 42.92 38.71 1nex s ASP 579 CO 0.06 -1.19 1.74 1.12 0.52 0.00 0.00 175.17 177.42 1nex h HIS 580 N 8.42 0.63 -0.42 -5.34 2.07 -1.94 0.94 115.15 119.51 1nex h HIS 580 Ca 0.30 -0.02 0.08 0.00 -2.85 0.00 0.00 60.37 57.87 1nex h HIS 580 Cb 0.94 -0.20 -0.09 0.00 2.57 0.00 0.00 27.41 30.63 1nex h HIS 580 CO 1.28 0.50 -0.40 1.49 -3.07 0.00 0.00 177.93 177.73 1nex h GLU 581 N 0.58 -0.28 0.00 5.12 4.81 -1.96 -1.31 114.58 121.54 1nex h GLU 581 Ca 0.16 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.40 1nex h GLU 581 Cb 0.09 0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.53 1nex h GLU 581 CO -0.02 -0.19 -0.37 0.54 -0.73 0.00 0.00 179.01 178.24 1nex n ARG 582 N -5.42 0.09 -2.84 1.92 1.74 -1.13 -4.96 116.66 106.05 1nex n ARG 582 Ca 0.00 0.04 -0.11 0.00 -0.77 0.00 0.00 57.85 57.01 1nex n ARG 582 Cb 0.35 -1.57 0.05 0.00 -1.02 0.00 0.00 32.46 30.28 1nex n ARG 582 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 1nex n LYS 583 N -1.70 -3.53 -4.23 5.56 3.00 0.31 -4.97 118.16 112.61 1nex n LYS 583 Ca 0.05 0.55 -0.20 0.00 -0.00 0.00 0.00 58.31 58.71 1nex n LYS 583 Cb 0.37 -4.57 -0.08 0.00 0.00 0.00 0.00 35.03 30.75 1nex n LYS 583 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1nex n ARG 584 N -2.91 0.42 -3.71 1.64 1.74 -0.43 -2.40 116.66 111.02 1nex n ARG 584 Ca -0.15 -3.32 -0.17 0.00 -0.77 0.00 0.00 57.85 53.44 1nex n ARG 584 Cb 0.60 2.61 -0.16 0.00 -1.02 0.00 0.00 32.46 34.49 1nex n ARG 584 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1nex s ILE 586 N 1.75 5.23 0.01 0.00 1.09 -0.16 -0.89 121.20 128.23 1nex s ILE 586 Ca -0.02 0.11 0.05 0.00 -1.10 0.00 0.00 60.65 59.69 1nex s ILE 586 Cb -0.12 -3.29 -0.02 0.00 -1.06 0.00 0.00 42.46 37.97 1nex s ILE 586 CO -0.04 0.58 -0.14 -0.94 -0.10 0.00 0.00 174.94 174.29 1nex s SER 587 N -0.67 1.69 -0.15 3.58 1.04 -0.29 -0.21 113.70 118.69 1nex s SER 587 Ca 0.13 -0.35 0.00 0.00 0.48 0.00 0.00 55.95 56.21 1nex s SER 587 Cb -0.12 -0.15 0.02 0.00 0.10 0.00 0.00 66.02 65.87 1nex s SER 587 CO 0.02 0.11 -0.14 0.00 0.98 0.00 0.00 173.24 174.22 1nex s ALA 588 N -0.57 1.83 0.00 5.32 0.00 0.12 -1.50 121.76 126.97 1nex s ALA 588 Ca 0.04 -0.88 0.00 0.00 0.00 0.00 0.00 51.96 51.12 1nex s ALA 588 Cb -0.07 -1.04 0.00 0.00 0.00 0.00 0.00 23.12 22.02 1nex s ALA 588 CO 0.00 -0.37 0.00 0.45 0.00 0.00 0.00 175.76 175.84 1nex n SER 589 N 4.75 0.00 -0.30 0.00 2.88 -0.98 -1.15 113.62 118.82 1nex n SER 589 Ca -0.17 0.00 -0.00 0.00 -1.33 0.00 0.00 58.87 57.37 1nex n SER 589 Cb 0.50 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.96 1nex n SER 589 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1nex n ASP 591 N 0.00 -0.21 0.00 -3.46 5.68 -1.26 -2.75 116.55 114.56 1nex n ASP 591 Ca 0.00 0.01 0.00 0.00 -0.50 0.00 0.00 54.79 54.30 1nex n ASP 591 Cb 0.00 -0.62 0.00 0.00 -1.14 0.00 0.00 41.12 39.36 1nex n ASP 591 CO 0.00 0.00 0.00 0.41 -1.33 0.00 0.00 177.20 176.28 1nex n THR 592 N -0.36 0.00 -4.21 2.12 -1.04 -1.26 -4.97 114.28 104.56 1nex n THR 592 Ca -0.00 0.00 -0.24 0.00 -2.04 0.00 0.00 64.05 61.77 1nex n THR 592 Cb 0.02 -0.16 -0.08 0.00 -1.82 0.00 0.00 70.33 68.29 1nex n THR 592 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 1nex s THR 593 N -2.86 2.62 -0.03 12.58 -4.23 -1.26 -4.35 115.64 118.11 1nex s THR 593 Ca 0.00 -1.80 0.06 0.00 -1.18 0.00 0.00 61.69 58.77 1nex s THR 593 Cb 0.00 -2.92 -0.01 0.00 1.34 0.00 0.00 72.50 70.91 1nex s THR 593 CO 0.00 -0.12 -0.21 -0.63 -0.54 0.00 0.00 174.62 173.12 1nex s ILE 594 N -2.52 1.67 -0.02 2.99 1.01 -0.75 -2.32 121.20 121.27 1nex s ILE 594 Ca 0.38 -0.88 0.05 0.00 0.00 0.00 0.00 60.65 60.20 1nex s ILE 594 Cb 0.01 -1.41 -0.01 0.00 0.01 0.00 0.00 42.46 41.06 1nex s ILE 594 CO 0.21 0.47 -0.18 -0.13 0.00 0.00 0.00 174.94 175.32 1nex s ARG 595 N -0.30 1.51 -0.17 2.79 0.52 -0.56 0.15 118.95 122.88 1nex s ARG 595 Ca 0.03 -0.63 -0.04 0.00 -0.52 0.00 0.00 55.73 54.57 1nex s ARG 595 Cb -0.10 -1.42 -0.03 0.00 0.52 0.00 0.00 34.95 33.92 1nex s ARG 595 CO 0.01 0.35 -0.02 0.42 0.02 0.00 0.00 175.30 176.09 1nex s ILE 596 N -0.33 4.04 0.10 1.52 -1.09 -0.44 -1.14 121.20 123.87 1nex s ILE 596 Ca 0.05 -0.30 0.10 0.00 -2.23 0.00 0.00 60.65 58.27 1nex s ILE 596 Cb -0.08 -2.79 -0.04 0.00 -1.58 0.00 0.00 42.46 37.98 1nex s ILE 596 CO -0.00 0.48 -0.27 0.26 -1.23 0.00 0.00 174.94 174.18 1nex s TRP 597 N 0.47 2.30 -0.43 3.97 0.52 -0.06 -3.02 118.94 122.69 1nex s TRP 597 Ca -0.02 -0.39 -0.18 0.00 0.02 0.00 0.00 56.10 55.52 1nex s TRP 597 Cb -0.14 -1.29 0.02 0.00 -1.15 0.00 0.00 33.47 30.92 1nex s TRP 597 CO 0.02 0.27 0.51 0.34 0.02 0.00 0.00 176.95 178.12 1nex s ASP 598 N -1.82 6.23 0.00 2.95 -1.08 -0.71 -1.55 116.67 120.70 1nex s ASP 598 Ca 0.13 -0.60 0.00 0.00 -0.52 0.00 0.00 52.55 51.56 1nex s ASP 598 Cb -0.10 -2.26 0.00 0.00 -1.46 0.00 0.00 42.92 39.10 1nex s ASP 598 CO 0.05 -0.66 0.56 0.18 0.52 0.00 0.00 175.17 175.82 1nex n LEU 599 N 5.82 1.25 -1.10 -1.34 4.77 -1.01 -0.64 117.00 124.75 1nex n LEU 599 Ca -0.06 -0.62 0.12 0.00 -0.03 0.00 0.00 56.01 55.42 1nex n LEU 599 Cb 0.47 -0.50 0.18 0.00 -2.33 0.00 0.00 43.42 41.24 1nex n LEU 599 CO 0.49 0.28 0.68 -0.62 -1.33 0.00 0.00 177.39 176.89 1nex n GLU 600 N 0.06 2.46 0.00 3.23 -0.58 -1.26 -4.56 120.64 119.99 1nex n GLU 600 Ca 0.00 -2.18 0.00 0.00 -0.42 0.00 0.00 57.16 54.56 1nex n GLU 600 Cb 0.28 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.65 1nex n GLU 600 CO 0.00 0.00 0.00 0.27 -0.48 0.00 0.00 177.13 176.92 1nex n ASN 605 N 1.46 0.00 -0.02 1.62 6.94 -1.17 -5.03 115.26 119.06 1nex n ASN 605 Ca 0.18 0.00 -0.00 0.00 -0.02 0.00 0.00 54.58 54.74 1nex n ASN 605 Cb 0.61 0.00 -0.00 0.00 -2.36 0.00 0.00 39.78 38.03 1nex n ASN 605 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1nex n GLY 606 N 0.00 0.30 3.90 4.83 0.00 0.18 -5.02 105.19 109.37 1nex n GLY 606 Ca 0.00 -0.01 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 1nex n GLY 606 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1nex s GLU 607 N -0.92 3.59 1.21 1.61 4.04 -1.22 -4.80 118.70 122.21 1nex s GLU 607 Ca 0.00 -0.12 -0.18 0.00 0.04 0.00 0.00 54.97 54.71 1nex s GLU 607 Cb 0.00 -2.94 0.24 0.00 0.02 0.00 0.00 34.13 31.45 1nex s GLU 607 CO 0.00 0.53 0.55 -0.11 -1.84 0.00 0.00 175.26 174.39 1nex n LEU 608 N 0.39 -1.53 -4.82 1.83 7.94 -1.26 -1.74 117.00 117.81 1nex n LEU 608 Ca -0.05 -0.40 -0.30 0.00 -1.11 0.00 0.00 56.01 54.15 1nex n LEU 608 Cb 0.52 -1.00 0.07 0.00 0.53 0.00 0.00 43.42 43.53 1nex n LEU 608 CO 0.47 -3.59 0.71 -0.31 -1.11 0.00 0.00 177.39 173.57 1nex s TYR 626 N -2.21 3.03 -0.15 1.96 2.02 -1.17 -4.80 117.35 116.03 1nex s TYR 626 Ca 0.58 1.27 0.00 0.00 -0.37 0.00 0.00 57.07 58.55 1nex s TYR 626 Cb -0.14 -2.99 0.03 0.00 -0.40 0.00 0.00 41.96 38.45 1nex s TYR 626 CO 0.57 -1.44 -0.12 0.99 -1.57 0.00 0.00 175.55 173.98 1nex s THR 627 N -3.12 1.48 -0.17 -0.71 2.01 -1.26 -1.33 115.64 112.55 1nex s THR 627 Ca 0.59 -0.65 -0.13 0.00 0.31 0.00 0.00 61.69 61.82 1nex s THR 627 Cb -0.14 -1.45 -0.05 0.00 0.01 0.00 0.00 72.50 70.88 1nex s THR 627 CO 0.54 0.38 0.25 -0.76 -0.69 0.00 0.00 174.62 174.34 1nex s LEU 628 N 1.51 4.24 -0.44 4.42 1.43 0.12 -4.95 118.68 125.00 1nex s LEU 628 Ca 0.04 0.44 0.03 0.00 -1.03 0.00 0.00 54.13 53.60 1nex s LEU 628 Cb -0.13 -2.29 0.12 0.00 0.03 0.00 0.00 46.19 43.91 1nex s LEU 628 CO -0.10 0.13 0.20 -1.58 0.23 0.00 0.00 176.35 175.23 1nex s GLN 629 N 0.39 1.61 -0.02 1.70 2.00 -1.26 -1.80 119.66 122.28 1nex s GLN 629 Ca 0.14 -2.20 0.03 0.00 -2.00 0.00 0.00 55.36 51.34 1nex s GLN 629 Cb -0.12 -2.96 0.06 0.00 0.80 0.00 0.00 33.01 30.78 1nex s GLN 629 CO 0.02 -1.07 1.03 0.41 -0.50 0.00 0.00 175.29 175.18 1nex n GLY 630 N 3.60 1.07 3.00 2.59 0.00 -1.26 -5.07 105.19 109.12 1nex n GLY 630 Ca 0.05 -0.18 -0.12 0.00 0.00 0.00 0.00 46.02 45.77 1nex n GLY 630 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1nex s HIS 631 N -0.36 -0.06 -1.46 1.61 3.76 -1.26 -4.89 115.29 112.63 1nex s HIS 631 Ca 0.05 0.15 0.15 0.00 -0.15 0.00 0.00 55.06 55.26 1nex s HIS 631 Cb 0.05 0.01 0.36 0.00 1.11 0.00 0.00 32.58 34.11 1nex s HIS 631 CO -0.00 -0.10 1.27 0.25 -0.85 0.00 0.00 174.74 175.31 1nex n THR 632 N 2.66 0.76 -4.36 1.30 -2.24 -1.26 -4.79 114.28 106.35 1nex n THR 632 Ca -0.15 -0.88 -0.22 0.00 -2.27 0.00 0.00 64.05 60.53 1nex n THR 632 Cb 0.58 0.69 -0.08 0.00 -2.10 0.00 0.00 70.33 69.43 1nex n THR 632 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1nex s ALA 633 N -1.07 2.25 0.14 6.98 0.00 -1.26 -5.00 121.76 123.80 1nex s ALA 633 Ca 0.29 -1.78 -0.33 0.00 0.00 0.00 0.00 51.96 50.14 1nex s ALA 633 Cb 0.16 1.26 -0.13 0.00 0.00 0.00 0.00 23.12 24.41 1nex s ALA 633 CO 0.22 -0.56 1.66 -0.11 0.00 0.00 0.00 175.76 176.96 1nex n LEU 634 N -0.74 3.39 -4.33 0.00 -0.00 -1.26 -4.24 117.00 109.82 1nex n LEU 634 Ca 0.03 1.06 -0.47 0.00 -0.00 0.00 0.00 56.01 56.63 1nex n LEU 634 Cb 0.63 -1.46 -0.02 0.00 -0.00 0.00 0.00 43.42 42.57 1nex n LEU 634 CO 0.33 -0.13 0.45 -0.69 -0.00 0.00 0.00 177.39 177.35 1nex s VAL 635 N 1.49 5.64 -2.41 1.96 1.01 -1.11 -0.64 120.40 126.34 1nex s VAL 635 Ca 0.80 -2.54 0.25 0.00 0.00 0.00 0.00 61.98 60.49 1nex s VAL 635 Cb -0.63 -4.48 0.24 0.00 0.00 0.00 0.00 36.38 31.51 1nex s VAL 635 CO 0.38 -1.04 1.39 0.61 0.00 0.00 0.00 175.10 176.44 1nex n GLY 636 N 3.88 0.23 3.21 4.51 0.00 -1.20 -3.91 105.19 111.90 1nex n GLY 636 Ca 0.15 -0.57 -0.22 0.00 0.00 0.00 0.00 46.02 45.38 1nex n GLY 636 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nex s LEU 637 N -2.21 2.23 -0.14 0.99 1.43 -1.16 -4.55 118.68 115.26 1nex s LEU 637 Ca 0.27 -0.56 -0.19 0.00 -1.03 0.00 0.00 54.13 52.62 1nex s LEU 637 Cb 0.20 -0.75 0.05 0.00 0.03 0.00 0.00 46.19 45.72 1nex s LEU 637 CO 0.42 0.05 0.49 -0.76 0.23 0.00 0.00 176.35 176.78 1nex s LEU 638 N -1.47 0.12 -0.01 1.79 1.43 -1.26 -2.79 118.68 116.49 1nex s LEU 638 Ca 0.03 0.81 -0.07 0.00 -1.03 0.00 0.00 54.13 53.88 1nex s LEU 638 Cb -0.09 1.75 0.00 0.00 0.03 0.00 0.00 46.19 47.88 1nex s LEU 638 CO 0.02 -0.28 0.14 -0.13 0.23 0.00 0.00 176.35 176.33 1nex s ARG 639 N -0.21 0.40 -0.30 1.70 1.81 -0.72 -5.01 118.95 116.63 1nex s ARG 639 Ca -0.04 -0.24 -0.00 0.00 -1.72 0.00 0.00 55.73 53.73 1nex s ARG 639 Cb -0.03 0.17 0.06 0.00 -0.45 0.00 0.00 34.95 34.70 1nex s ARG 639 CO 0.03 -0.09 -0.01 -1.17 -0.68 0.00 0.00 175.30 173.38 1nex s LEU 640 N -1.00 3.98 0.33 2.53 0.20 -1.26 -1.21 118.68 122.24 1nex s LEU 640 Ca -0.11 -1.45 -0.01 0.00 0.69 0.00 0.00 54.13 53.25 1nex s LEU 640 Cb -0.06 -1.67 -0.04 0.00 -0.43 0.00 0.00 46.19 43.99 1nex s LEU 640 CO 0.01 -0.28 0.55 -0.55 -0.29 0.00 0.00 176.35 175.79 1nex s SER 641 N 1.24 6.34 0.58 3.68 0.15 0.35 -4.95 113.70 121.08 1nex s SER 641 Ca -0.04 0.53 0.29 0.00 0.70 0.00 0.00 55.95 57.44 1nex s SER 641 Cb -0.20 -2.07 1.45 0.00 -1.71 0.00 0.00 66.02 63.49 1nex s SER 641 CO -0.03 -0.27 1.86 -0.78 1.20 0.00 0.00 173.24 175.23 1nex h ASP 642 N 1.05 0.00 0.00 5.45 3.58 -1.94 -2.47 116.42 122.08 1nex h ASP 642 Ca -0.49 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.96 1nex h ASP 642 Cb 1.21 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.26 1nex h ASP 642 CO 0.63 0.00 -0.82 1.17 -2.88 0.00 0.00 179.24 177.35 1nex n LYS 643 N -3.78 1.78 -4.16 0.28 4.81 -1.26 -4.91 118.16 110.92 1nex n LYS 643 Ca 0.11 -0.01 -0.13 0.00 -0.87 0.00 0.00 58.31 57.41 1nex n LYS 643 Cb 0.76 -0.92 -0.11 0.00 0.02 0.00 0.00 35.03 34.79 1nex n LYS 643 CO 0.00 0.00 0.00 -0.06 1.17 0.00 0.00 177.40 178.51 1nex s PHE 644 N -1.87 0.95 -0.24 5.64 0.40 -0.93 -2.75 117.98 119.18 1nex s PHE 644 Ca -0.00 -0.73 -0.03 0.00 -0.60 0.00 0.00 56.93 55.57 1nex s PHE 644 Cb 0.01 -0.53 0.01 0.00 0.51 0.00 0.00 43.02 43.02 1nex s PHE 644 CO 0.08 -0.06 -0.05 -1.17 0.70 0.00 0.00 175.22 174.72 1nex s LEU 645 N -2.56 3.11 -0.06 -0.37 2.96 0.15 0.13 118.68 122.04 1nex s LEU 645 Ca 0.06 -0.69 0.02 0.00 -0.22 0.00 0.00 54.13 53.30 1nex s LEU 645 Cb -0.01 -1.70 -0.03 0.00 0.50 0.00 0.00 46.19 44.95 1nex s LEU 645 CO -0.02 -0.09 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.12 1nex s VAL 646 N 1.39 3.37 0.01 1.68 1.01 -0.35 -0.40 120.40 127.11 1nex s VAL 646 Ca 0.03 -0.60 0.00 0.00 0.00 0.00 0.00 61.98 61.41 1nex s VAL 646 Cb -0.16 -2.35 -0.01 0.00 0.00 0.00 0.00 36.38 33.86 1nex s VAL 646 CO -0.04 0.59 -0.02 -0.94 0.00 0.00 0.00 175.10 174.69 1nex s SER 647 N -0.72 0.22 0.03 3.32 1.04 0.43 -1.75 113.70 116.28 1nex s SER 647 Ca 0.11 -0.18 0.05 0.00 0.48 0.00 0.00 55.95 56.41 1nex s SER 647 Cb -0.11 0.02 -0.02 0.00 0.10 0.00 0.00 66.02 66.01 1nex s SER 647 CO 0.01 -0.08 -0.14 0.00 0.98 0.00 0.00 173.24 174.02 1nex s ALA 648 N -0.48 1.12 0.39 5.32 0.00 -1.12 0.32 121.76 127.31 1nex s ALA 648 Ca -0.04 -0.77 0.06 0.00 0.00 0.00 0.00 51.96 51.20 1nex s ALA 648 Cb -0.04 -0.19 -0.07 0.00 0.00 0.00 0.00 23.12 22.83 1nex s ALA 648 CO -0.00 0.22 0.03 0.00 0.00 0.00 0.00 175.76 176.00 1nex s ALA 649 N -0.77 2.95 -1.39 0.00 0.00 -0.48 -2.99 121.76 119.07 1nex s ALA 649 Ca 0.02 -2.16 0.09 0.00 0.00 0.00 0.00 51.96 49.91 1nex s ALA 649 Cb -0.07 0.32 0.47 0.00 0.00 0.00 0.00 23.12 23.84 1nex s ALA 649 CO 0.01 -0.18 1.19 0.00 0.00 0.00 0.00 175.76 176.78 1nex n ALA 650 N -0.89 1.60 -0.20 0.00 0.00 0.18 -1.67 120.51 119.52 1nex n ALA 650 Ca -0.05 -0.04 0.12 0.00 0.00 0.00 0.00 53.44 53.47 1nex n ALA 650 Cb 0.67 -1.15 0.30 0.00 0.00 0.00 0.00 19.45 19.27 1nex n ALA 650 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1nex n ASP 651 N -1.30 3.86 0.00 0.00 5.68 -1.26 -3.43 116.55 120.09 1nex n ASP 651 Ca 0.04 -2.00 0.00 0.00 -0.50 0.00 0.00 54.79 52.33 1nex n ASP 651 Cb 0.08 -0.44 0.00 0.00 -1.14 0.00 0.00 41.12 39.62 1nex n ASP 651 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1nex n GLY 652 N 1.64 0.76 3.86 6.12 0.00 -0.67 -4.60 105.19 112.30 1nex n GLY 652 Ca 0.24 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.94 1nex n GLY 652 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1nex s SER 653 N -2.52 6.71 -0.03 1.61 1.04 -1.25 -1.49 113.70 117.77 1nex s SER 653 Ca 0.00 1.19 0.00 0.00 0.48 0.00 0.00 55.95 57.62 1nex s SER 653 Cb 0.00 -2.34 0.03 0.00 0.10 0.00 0.00 66.02 63.81 1nex s SER 653 CO 0.00 -0.20 0.00 -0.63 0.98 0.00 0.00 173.24 173.39 1nex s ILE 654 N -1.99 0.14 0.06 -1.02 1.01 0.20 -1.39 121.20 118.21 1nex s ILE 654 Ca 0.52 0.10 0.07 0.00 0.00 0.00 0.00 60.65 61.35 1nex s ILE 654 Cb -0.10 -0.24 -0.03 0.00 0.01 0.00 0.00 42.46 42.10 1nex s ILE 654 CO 0.20 0.14 -0.19 -0.13 0.00 0.00 0.00 174.94 174.95 1nex s ARG 655 N 1.02 1.20 -0.13 2.79 0.52 0.15 -0.27 118.95 124.24 1nex s ARG 655 Ca -0.10 -0.96 0.02 0.00 -0.52 0.00 0.00 55.73 54.17 1nex s ARG 655 Cb -0.13 -1.33 0.01 0.00 0.52 0.00 0.00 34.95 34.02 1nex s ARG 655 CO -0.02 0.33 -0.17 0.20 0.02 0.00 0.00 175.30 175.66 1nex s GLY 656 N -1.38 1.16 0.15 -3.53 0.00 0.13 -0.43 107.32 103.43 1nex s GLY 656 Ca 0.06 -0.89 0.09 0.00 0.00 0.00 0.00 44.72 43.98 1nex s GLY 656 CO 0.02 0.20 -0.16 -0.98 0.00 0.00 0.00 173.10 172.18 1nex s TRP 657 N 1.02 2.54 0.29 1.90 0.52 0.46 -1.04 118.94 124.64 1nex s TRP 657 Ca -0.05 -0.26 -0.30 0.00 0.02 0.00 0.00 56.10 55.51 1nex s TRP 657 Cb -0.15 -1.30 -0.11 0.00 -1.15 0.00 0.00 33.47 30.76 1nex s TRP 657 CO -0.04 0.45 1.61 0.34 0.02 0.00 0.00 176.95 179.33 1nex s ASP 658 N -2.46 6.36 0.13 2.95 2.15 -0.10 -0.67 116.67 125.03 1nex s ASP 658 Ca 0.21 2.96 0.14 0.00 0.43 0.00 0.00 52.55 56.28 1nex s ASP 658 Cb -0.10 -2.63 0.63 0.00 -0.30 0.00 0.00 42.92 40.52 1nex s ASP 658 CO 0.12 -0.93 1.42 0.00 -0.17 0.00 0.00 175.17 175.61 1nex n ALA 659 N 2.26 1.32 -0.05 3.66 0.00 -1.11 -1.16 120.51 125.42 1nex n ALA 659 Ca 0.09 0.05 -0.10 0.00 0.00 0.00 0.00 53.44 53.48 1nex n ALA 659 Cb 0.37 -1.21 -0.04 0.00 0.00 0.00 0.00 19.45 18.57 1nex n ALA 659 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1nex n ASN 660 N -1.83 1.85 -0.25 0.00 2.85 -1.26 -4.79 115.26 111.83 1nex n ASN 660 Ca 0.01 0.05 0.07 0.00 -0.11 0.00 0.00 54.58 54.59 1nex n ASN 660 Cb 0.10 -0.25 -0.01 0.00 1.24 0.00 0.00 39.78 40.86 1nex n ASN 660 CO 0.00 0.00 0.00 -0.90 -2.11 0.00 0.00 177.26 174.25 1nex n ASP 661 N -3.18 1.29 -2.66 1.20 3.85 -1.24 -5.02 116.55 110.80 1nex n ASP 661 Ca -0.20 -1.15 -0.22 0.00 -0.71 0.00 0.00 54.79 52.52 1nex n ASP 661 Cb 0.67 0.57 0.01 0.00 -1.35 0.00 0.00 41.12 41.01 1nex n ASP 661 CO 0.00 0.00 0.00 -1.22 -1.01 0.00 0.00 177.20 174.97 1nex n TYR 662 N -0.39 -1.40 -2.78 2.11 4.02 -0.31 -4.92 117.16 113.49 1nex n TYR 662 Ca 0.05 0.22 -0.34 0.00 -0.01 0.00 0.00 57.90 57.82 1nex n TYR 662 Cb 0.27 -4.21 -0.06 0.00 -0.02 0.00 0.00 39.34 35.32 1nex n TYR 662 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 1nex s SER 663 N -2.32 6.95 -0.19 7.72 1.04 -1.26 -4.53 113.70 121.11 1nex s SER 663 Ca 0.13 1.75 -0.29 0.00 0.48 0.00 0.00 55.95 58.02 1nex s SER 663 Cb -0.06 -2.55 -0.05 0.00 0.10 0.00 0.00 66.02 63.47 1nex s SER 663 CO 0.15 -0.35 1.97 -0.13 0.98 0.00 0.00 173.24 175.87 1nex s ARG 664 N -2.95 3.49 -0.22 4.02 0.52 -1.26 -0.92 118.95 121.62 1nex s ARG 664 Ca 0.60 1.95 0.10 0.00 -0.52 0.00 0.00 55.73 57.87 1nex s ARG 664 Cb -0.12 -4.23 -0.21 0.00 0.52 0.00 0.00 34.95 30.91 1nex s ARG 664 CO 0.16 -1.68 -0.07 1.63 0.02 0.00 0.00 175.30 175.36 1nex n LYS 665 N 8.25 0.72 -3.53 3.54 4.76 -0.20 -4.94 118.16 126.74 1nex n LYS 665 Ca 0.24 0.06 -0.07 0.00 -2.87 0.00 0.00 58.31 55.68 1nex n LYS 665 Cb 0.45 -1.50 -0.02 0.00 -1.84 0.00 0.00 35.03 32.11 1nex n LYS 665 CO 0.00 0.00 0.00 -0.59 -1.37 0.00 0.00 177.40 175.44 1nex s PHE 666 N -2.49 -0.29 -0.22 2.13 -0.12 -1.00 -4.99 117.98 111.00 1nex s PHE 666 Ca -0.21 0.17 -0.15 0.00 -0.05 0.00 0.00 56.93 56.69 1nex s PHE 666 Cb 0.07 0.54 0.07 0.00 -0.63 0.00 0.00 43.02 43.06 1nex s PHE 666 CO 0.70 -0.47 0.56 -1.54 -0.05 0.00 0.00 175.22 174.42 1nex s SER 667 N -2.43 -0.71 0.15 1.98 1.04 -1.26 -0.69 113.70 111.78 1nex s SER 667 Ca 0.06 1.21 0.06 0.00 0.48 0.00 0.00 55.95 57.76 1nex s SER 667 Cb -0.01 1.11 -0.04 0.00 0.10 0.00 0.00 66.02 67.18 1nex s SER 667 CO -0.08 -0.21 -0.14 -0.31 0.98 0.00 0.00 173.24 173.48 1nex s TYR 668 N 1.22 1.48 -0.06 5.02 1.51 0.63 -4.97 117.35 122.18 1nex s TYR 668 Ca -0.07 -0.58 -0.03 0.00 -1.01 0.00 0.00 57.07 55.38 1nex s TYR 668 Cb -0.06 -0.75 0.04 0.00 -0.11 0.00 0.00 41.96 41.08 1nex s TYR 668 CO -0.12 0.19 0.11 -1.58 -1.11 0.00 0.00 175.55 173.05 1nex s HIS 669 N -2.50 -0.08 0.16 2.71 2.46 -1.26 0.62 115.29 117.41 1nex s HIS 669 Ca 0.14 0.45 -0.31 0.00 0.47 0.00 0.00 55.06 55.80 1nex s HIS 669 Cb -0.03 -0.33 -0.11 0.00 -0.13 0.00 0.00 32.58 31.99 1nex s HIS 669 CO 0.04 -0.22 1.69 -1.01 -2.47 0.00 0.00 174.74 172.76 1nex s HIS 670 N 2.11 2.72 0.42 3.88 3.76 -0.55 -4.87 115.29 122.77 1nex s HIS 670 Ca 0.02 0.34 0.23 0.00 -0.15 0.00 0.00 55.06 55.51 1nex s HIS 670 Cb -0.12 -4.06 1.22 0.00 1.11 0.00 0.00 32.58 30.72 1nex s HIS 670 CO -0.05 -4.11 1.75 1.15 -0.85 0.00 0.00 174.74 172.64 1nex h THR 671 N 4.19 0.44 -0.59 1.30 2.02 -1.96 -0.47 112.91 117.84 1nex h THR 671 Ca -0.43 -0.10 -0.17 0.00 0.77 0.00 0.00 66.41 66.48 1nex h THR 671 Cb 1.21 0.13 -0.10 0.00 -1.74 0.00 0.00 68.15 67.64 1nex h THR 671 CO 0.94 0.05 0.21 -0.46 0.37 0.00 0.00 175.52 176.63 1nex n ASN 672 N -4.58 4.27 -0.61 4.18 6.94 -1.26 -4.91 115.26 119.28 1nex n ASN 672 Ca 0.27 -2.95 -0.02 0.00 -0.02 0.00 0.00 54.58 51.86 1nex n ASN 672 Cb 1.02 -0.70 -0.01 0.00 -2.36 0.00 0.00 39.78 37.73 1nex n ASN 672 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1nex n LEU 673 N -0.04 -0.08 -4.80 -4.53 4.77 -0.18 -4.90 117.00 107.24 1nex n LEU 673 Ca 0.32 0.06 -0.34 0.00 -0.03 0.00 0.00 56.01 56.02 1nex n LEU 673 Cb 1.17 -0.96 -0.04 0.00 -2.33 0.00 0.00 43.42 41.26 1nex n LEU 673 CO 0.35 -0.22 0.71 -0.94 -1.33 0.00 0.00 177.39 175.96 1nex s SER 674 N -0.93 6.56 0.21 -1.43 1.04 -1.26 -4.18 113.70 113.70 1nex s SER 674 Ca 0.00 1.91 -0.32 0.00 0.48 0.00 0.00 55.95 58.02 1nex s SER 674 Cb 0.00 -2.56 -0.12 0.00 0.10 0.00 0.00 66.02 63.43 1nex s SER 674 CO 0.00 -0.63 1.66 0.00 0.98 0.00 0.00 173.24 175.25 1nex n ALA 675 N -0.67 2.39 -1.85 5.32 0.00 -1.22 -3.23 120.51 121.26 1nex n ALA 675 Ca 0.08 0.41 -0.43 0.00 0.00 0.00 0.00 53.44 53.50 1nex n ALA 675 Cb 0.52 -2.47 -0.03 0.00 0.00 0.00 0.00 19.45 17.48 1nex n ALA 675 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1nex s ILE 676 N 0.90 3.31 -0.06 0.00 -1.09 -1.07 -4.52 121.20 118.69 1nex s ILE 676 Ca 0.74 0.35 0.13 0.00 -2.23 0.00 0.00 60.65 59.65 1nex s ILE 676 Cb -0.55 -3.33 -0.17 0.00 -1.58 0.00 0.00 42.46 36.82 1nex s ILE 676 CO 0.36 -0.15 0.86 0.74 -1.23 0.00 0.00 174.94 175.52 1nex h THR 677 N 6.39 0.84 -1.89 2.92 2.02 -1.37 -3.45 112.91 118.36 1nex h THR 677 Ca -0.40 -2.51 0.19 0.00 0.77 0.00 0.00 66.41 64.46 1nex h THR 677 Cb 1.20 2.34 -0.16 0.00 -1.74 0.00 0.00 68.15 69.79 1nex h THR 677 CO 0.98 0.48 0.65 0.28 0.37 0.00 0.00 175.52 178.27 1nex s THR 678 N -2.75 0.00 -0.14 3.16 -1.32 -0.81 -4.84 115.64 108.93 1nex s THR 678 Ca -0.03 -0.05 -0.34 0.00 -1.21 0.00 0.00 61.69 60.07 1nex s THR 678 Cb 0.08 -1.11 0.13 0.00 -1.51 0.00 0.00 72.50 70.10 1nex s THR 678 CO 0.81 0.00 1.17 0.72 -2.21 0.00 0.00 174.62 175.11 1nex s PHE 679 N -2.79 -0.15 0.05 9.09 -0.12 -1.26 0.24 117.98 123.05 1nex s PHE 679 Ca 0.08 0.08 -0.09 0.00 -0.05 0.00 0.00 56.93 56.94 1nex s PHE 679 Cb -0.01 0.52 0.00 0.00 -0.63 0.00 0.00 43.02 42.91 1nex s PHE 679 CO -0.06 -0.27 0.19 -0.47 -0.05 0.00 0.00 175.22 174.56 1nex s TYR 680 N -2.53 0.08 0.07 3.49 5.04 0.07 -4.86 117.35 118.71 1nex s TYR 680 Ca 0.09 -0.35 -0.10 0.00 -2.44 0.00 0.00 57.07 54.27 1nex s TYR 680 Cb -0.00 -0.04 0.01 0.00 0.35 0.00 0.00 41.96 42.27 1nex s TYR 680 CO -0.05 -0.45 0.22 0.14 -1.34 0.00 0.00 175.55 174.07 1nex s VAL 681 N -2.86 0.12 0.27 3.14 -7.23 -1.26 -0.98 120.40 111.61 1nex s VAL 681 Ca -0.03 -1.00 0.03 0.00 -1.81 0.00 0.00 61.98 59.17 1nex s VAL 681 Cb 0.00 -1.18 -0.04 0.00 0.56 0.00 0.00 36.38 35.73 1nex s VAL 681 CO -0.05 -0.55 0.21 -0.94 -0.31 0.00 0.00 175.10 173.45 1nex s SER 682 N -2.58 0.97 0.60 4.85 1.04 0.65 -4.89 113.70 114.34 1nex s SER 682 Ca 0.01 -1.58 0.38 0.00 0.48 0.00 0.00 55.95 55.24 1nex s SER 682 Cb 0.03 0.47 1.84 0.00 0.10 0.00 0.00 66.02 68.46 1nex s SER 682 CO -0.09 -0.95 2.16 0.44 0.98 0.00 0.00 173.24 175.78 1nex h ASP 683 N 2.36 0.00 0.00 7.02 3.32 -1.96 -3.14 116.42 124.02 1nex h ASP 683 Ca -0.30 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.67 1nex h ASP 683 Cb 1.24 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.78 1nex h ASP 683 CO 0.44 0.01 -1.90 0.59 -1.72 0.00 0.00 179.24 176.66 1nex n ASN 684 N -3.14 0.92 -4.00 6.45 3.02 -1.26 -4.80 115.26 112.45 1nex n ASN 684 Ca -0.01 0.00 -0.09 0.00 -0.03 0.00 0.00 54.58 54.45 1nex n ASN 684 Cb 0.20 1.57 -0.11 0.00 -0.61 0.00 0.00 39.78 40.84 1nex n ASN 684 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1nex s ILE 685 N -3.02 0.14 -0.07 2.41 1.01 -1.19 -1.79 121.20 118.70 1nex s ILE 685 Ca -0.07 -1.18 0.00 0.00 0.00 0.00 0.00 60.65 59.40 1nex s ILE 685 Cb 0.10 -0.69 0.02 0.00 0.01 0.00 0.00 42.46 41.90 1nex s ILE 685 CO 0.73 -0.65 -0.05 -0.22 0.00 0.00 0.00 174.94 174.75 1nex s LEU 686 N -1.95 1.11 -0.17 2.97 2.96 -0.92 -0.25 118.68 122.42 1nex s LEU 686 Ca -0.08 -0.18 0.01 0.00 -0.22 0.00 0.00 54.13 53.65 1nex s LEU 686 Cb -0.04 -0.59 0.01 0.00 0.50 0.00 0.00 46.19 46.07 1nex s LEU 686 CO -0.04 -0.10 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.02 1nex s VAL 687 N 1.40 2.25 0.04 1.68 1.01 -0.15 -0.57 120.40 126.06 1nex s VAL 687 Ca -0.03 -0.89 0.06 0.00 0.00 0.00 0.00 61.98 61.12 1nex s VAL 687 Cb -0.13 -1.94 -0.02 0.00 0.00 0.00 0.00 36.38 34.28 1nex s VAL 687 CO -0.03 0.53 -0.16 -0.94 0.00 0.00 0.00 175.10 174.49 1nex s SER 688 N 1.18 1.96 0.01 3.32 1.04 -0.29 -0.75 113.70 120.16 1nex s SER 688 Ca 0.02 -0.49 0.02 0.00 0.48 0.00 0.00 55.95 55.98 1nex s SER 688 Cb -0.14 -0.14 -0.01 0.00 0.10 0.00 0.00 66.02 65.83 1nex s SER 688 CO -0.09 0.07 -0.07 -0.83 0.98 0.00 0.00 173.24 173.30 1nex s GLY 689 N -1.18 0.39 0.29 7.32 0.00 0.14 -0.71 107.32 113.56 1nex s GLY 689 Ca 0.04 -0.43 -0.09 0.00 0.00 0.00 0.00 44.72 44.24 1nex s GLY 689 CO 0.02 -0.40 0.49 -1.35 0.00 0.00 0.00 173.10 171.85 1nex s SER 690 N -0.55 0.24 -0.06 1.64 1.04 -0.60 -1.03 113.70 114.38 1nex s SER 690 Ca -0.00 -1.14 -0.38 0.00 0.48 0.00 0.00 55.95 54.91 1nex s SER 690 Cb -0.05 0.62 -0.16 0.00 0.10 0.00 0.00 66.02 66.54 1nex s SER 690 CO 0.00 -1.22 1.53 1.21 0.98 0.00 0.00 173.24 175.74 1nex n GLU 691 N -0.44 1.24 -1.01 4.02 2.13 -1.26 -0.57 120.64 124.74 1nex n GLU 691 Ca -0.01 0.45 -0.00 0.00 0.66 0.00 0.00 57.16 58.25 1nex n GLU 691 Cb 0.62 -2.12 -0.00 0.00 0.27 0.00 0.00 31.44 30.20 1nex n GLU 691 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1nex n ASN 692 N 3.83 -5.58 -3.91 4.31 5.03 -0.66 -4.94 115.26 113.34 1nex n ASN 692 Ca 0.22 0.01 -0.15 0.00 0.87 0.00 0.00 54.58 55.52 1nex n ASN 692 Cb 0.18 -3.12 -0.15 0.00 -1.02 0.00 0.00 39.78 35.67 1nex n ASN 692 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 1nex s GLN 693 N -1.77 0.32 -0.20 3.52 -0.21 0.26 -4.99 119.66 116.60 1nex s GLN 693 Ca 0.00 -0.09 -0.04 0.00 0.02 0.00 0.00 55.36 55.25 1nex s GLN 693 Cb 0.00 -0.35 0.10 0.00 1.00 0.00 0.00 33.01 33.76 1nex s GLN 693 CO 0.00 0.03 0.27 0.12 -2.12 0.00 0.00 175.29 173.59 1nex s PHE 694 N 0.15 -0.44 0.13 0.91 5.36 -1.26 -1.56 117.98 121.27 1nex s PHE 694 Ca -0.01 0.55 0.09 0.00 -0.96 0.00 0.00 56.93 56.60 1nex s PHE 694 Cb -0.04 -0.19 -0.04 0.00 -0.34 0.00 0.00 43.02 42.41 1nex s PHE 694 CO -0.00 -0.57 -0.22 -0.80 -1.46 0.00 0.00 175.22 172.16 1nex s ASN 695 N 2.40 2.81 -0.07 6.13 0.02 0.11 -4.48 114.94 121.86 1nex s ASN 695 Ca 0.07 -0.74 0.04 0.00 -1.02 0.00 0.00 52.86 51.20 1nex s ASN 695 Cb -0.15 -0.17 0.00 0.00 0.02 0.00 0.00 41.25 40.96 1nex s ASN 695 CO -0.12 0.07 -0.19 -0.63 0.02 0.00 0.00 177.10 176.26 1nex s ILE 696 N -1.33 1.62 -0.04 0.60 1.01 -0.97 -1.13 121.20 120.96 1nex s ILE 696 Ca 0.11 -0.78 0.04 0.00 0.00 0.00 0.00 60.65 60.02 1nex s ILE 696 Cb -0.09 -1.42 -0.00 0.00 0.01 0.00 0.00 42.46 40.96 1nex s ILE 696 CO 0.05 0.46 -0.17 -0.31 0.00 0.00 0.00 174.94 174.97 1nex s TYR 697 N 0.36 1.74 -0.45 3.97 2.02 0.27 -1.33 117.35 123.93 1nex s TYR 697 Ca -0.14 -0.50 -0.25 0.00 -0.37 0.00 0.00 57.07 55.81 1nex s TYR 697 Cb -0.16 -1.17 0.03 0.00 -0.40 0.00 0.00 41.96 40.25 1nex s TYR 697 CO 0.06 -0.17 0.89 1.21 -1.57 0.00 0.00 175.55 175.97 1nex s ASN 698 N 0.04 6.49 0.00 2.29 3.84 -0.33 -2.17 114.94 125.10 1nex s ASN 698 Ca -0.04 0.10 0.16 0.00 0.21 0.00 0.00 52.86 53.29 1nex s ASN 698 Cb -0.12 -2.44 0.74 0.00 -0.55 0.00 0.00 41.25 38.89 1nex s ASN 698 CO 0.02 -1.01 1.48 0.18 -2.79 0.00 0.00 177.10 174.98 1nex n LEU 699 N 7.04 0.00 -0.08 3.21 4.32 -0.74 0.01 117.00 130.76 1nex n LEU 699 Ca 0.05 0.39 -0.13 0.00 -0.02 0.00 0.00 56.01 56.30 1nex n LEU 699 Cb 0.48 -0.39 -0.07 0.00 -1.62 0.00 0.00 43.42 41.83 1nex n LEU 699 CO 0.62 -0.18 -0.28 0.03 -1.22 0.00 0.00 177.39 176.36 1nex h ARG 700 N 0.00 0.00 -0.00 3.23 3.08 -1.87 -3.35 114.38 115.46 1nex h ARG 700 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1nex h ARG 700 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.25 1nex h ARG 700 CO 0.00 0.56 -0.12 -1.13 -1.07 0.00 0.00 179.97 178.21 1nex n SER 701 N -4.56 0.22 0.00 7.04 3.41 -1.22 -4.89 113.62 113.63 1nex n SER 701 Ca -0.17 -0.05 0.00 0.00 -0.26 0.00 0.00 58.87 58.39 1nex n SER 701 Cb 0.44 -0.21 0.00 0.00 -0.26 0.00 0.00 64.21 64.18 1nex n SER 701 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1nex n GLY 702 N 1.40 1.45 3.88 5.00 0.00 0.10 -4.96 105.19 112.05 1nex n GLY 702 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 1nex n GLY 702 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nex s LYS 703 N 0.00 3.65 -0.23 1.61 1.02 -1.18 -4.74 119.74 119.88 1nex s LYS 703 Ca 0.00 0.62 -0.29 0.00 0.02 0.00 0.00 55.97 56.32 1nex s LYS 703 Cb 0.00 -2.19 0.01 0.00 -0.52 0.00 0.00 37.83 35.13 1nex s LYS 703 CO 0.00 -0.38 1.06 -1.17 -0.92 0.00 0.00 175.35 173.94 1nex s LEU 704 N -4.78 4.10 -0.05 3.17 2.96 -1.26 -1.19 118.68 121.63 1nex s LEU 704 Ca 0.53 1.40 -0.00 0.00 -0.22 0.00 0.00 54.13 55.84 1nex s LEU 704 Cb -0.11 -3.54 -0.00 0.00 0.50 0.00 0.00 46.19 43.04 1nex s LEU 704 CO 0.46 -0.69 -0.00 0.58 -1.32 0.00 0.00 176.35 175.38 1nex h VAL 705 N 5.47 0.00 -4.11 1.68 2.07 -1.55 -3.48 116.25 116.32 1nex h VAL 705 Ca -0.20 -0.52 -0.69 0.00 0.82 0.00 0.00 66.70 66.11 1nex h VAL 705 Cb 1.06 0.00 -0.24 0.00 -1.52 0.00 0.00 31.29 30.59 1nex h VAL 705 CO 0.98 0.00 -0.86 -1.00 0.02 0.00 0.00 177.57 176.71 1nex s HIS 706 N -1.29 2.36 0.00 1.57 3.76 -1.24 -4.81 115.29 115.64 1nex s HIS 706 Ca -0.00 -0.38 0.00 0.00 -0.15 0.00 0.00 55.06 54.53 1nex s HIS 706 Cb 0.00 -1.35 0.00 0.00 1.11 0.00 0.00 32.58 32.34 1nex s HIS 706 CO 0.00 0.22 0.01 0.00 -0.85 0.00 0.00 174.74 174.12 1nex n ALA 707 N 1.43 0.72 0.00 -1.40 0.00 -1.26 -2.30 120.51 117.71 1nex n ALA 707 Ca -0.17 -0.01 0.01 0.00 0.00 0.00 0.00 53.44 53.27 1nex n ALA 707 Cb 0.52 0.00 0.03 0.00 0.00 0.00 0.00 19.45 20.01 1nex n ALA 707 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1nex n ASN 708 N -0.34 1.97 -0.31 0.00 5.03 -1.26 -4.50 115.26 115.85 1nex n ASN 708 Ca 0.00 -1.75 0.07 0.00 0.87 0.00 0.00 54.58 53.76 1nex n ASN 708 Cb 0.01 -0.04 0.22 0.00 -1.02 0.00 0.00 39.78 38.95 1nex n ASN 708 CO 0.00 0.00 0.00 0.40 -1.83 0.00 0.00 177.26 175.83 1nex h ILE 709 N 0.55 0.80 -0.18 2.41 2.04 -1.89 -2.02 117.51 119.22 1nex h ILE 709 Ca 0.00 -0.25 -0.09 0.00 1.00 0.00 0.00 64.86 65.52 1nex h ILE 709 Cb 0.44 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.47 1nex h ILE 709 CO 0.00 0.13 -0.26 0.18 0.00 0.00 0.00 178.15 178.21 1nex n LEU 710 N -4.79 3.41 -0.33 1.44 4.32 -1.26 -4.84 117.00 114.95 1nex n LEU 710 Ca 0.17 -3.78 0.26 0.00 -0.02 0.00 0.00 56.01 52.65 1nex n LEU 710 Cb 0.40 -0.58 0.50 0.00 -1.62 0.00 0.00 43.42 42.12 1nex n LEU 710 CO 0.23 1.28 1.05 0.07 -1.22 0.00 0.00 177.39 178.80 1nex h LYS 711 N 0.98 0.13 0.00 3.23 2.10 -1.65 0.38 116.57 121.73 1nex h LYS 711 Ca 0.11 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.75 1nex h LYS 711 Cb 1.33 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 32.63 1nex h LYS 711 CO 0.19 0.08 0.00 -0.40 -2.00 0.00 0.00 179.45 177.33 1nex n ASP 712 N -5.21 0.00 -4.75 7.07 5.75 -1.26 -4.74 116.55 113.41 1nex n ASP 712 Ca 0.33 -0.23 -0.40 0.00 -0.01 0.00 0.00 54.79 54.48 1nex n ASP 712 Cb 1.09 -0.13 -0.05 0.00 -1.03 0.00 0.00 41.12 40.99 1nex n ASP 712 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1nex s ALA 713 N -2.27 3.36 -0.11 2.12 0.00 0.13 -4.79 121.76 120.20 1nex s ALA 713 Ca 0.19 0.73 0.15 0.00 0.00 0.00 0.00 51.96 53.03 1nex s ALA 713 Cb 0.10 -3.27 -0.24 0.00 0.00 0.00 0.00 23.12 19.71 1nex s ALA 713 CO 0.20 0.01 0.41 -0.25 0.00 0.00 0.00 175.76 176.14 1nex n ASP 714 N 1.63 0.50 -3.81 0.00 8.00 0.30 -4.18 116.55 118.99 1nex n ASP 714 Ca -0.01 0.24 -0.12 0.00 0.71 0.00 0.00 54.79 55.61 1nex n ASP 714 Cb 0.46 0.40 -0.13 0.00 -0.02 0.00 0.00 41.12 41.84 1nex n ASP 714 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1nex s GLN 715 N -2.56 0.18 -0.40 -1.24 -1.52 -1.11 -1.66 119.66 111.35 1nex s GLN 715 Ca -0.07 0.23 -0.05 0.00 -1.95 0.00 0.00 55.36 53.52 1nex s GLN 715 Cb 0.07 0.08 0.10 0.00 -0.22 0.00 0.00 33.01 33.04 1nex s GLN 715 CO 0.83 -0.03 0.21 0.42 -0.25 0.00 0.00 175.29 176.47 1nex s ILE 716 N 0.13 3.53 -0.07 1.08 -1.09 -1.26 -0.89 121.20 122.62 1nex s ILE 716 Ca -0.00 -1.82 -0.18 0.00 -2.23 0.00 0.00 60.65 56.42 1nex s ILE 716 Cb -0.01 -3.31 -0.13 0.00 -1.58 0.00 0.00 42.46 37.42 1nex s ILE 716 CO -0.00 -0.60 0.68 -0.50 -1.23 0.00 0.00 174.94 173.29 1nex h TRP 717 N 8.16 -0.18 -3.76 3.97 -0.00 -1.38 -3.39 115.95 119.38 1nex h TRP 717 Ca -0.17 -0.00 -0.25 0.00 -0.00 0.00 0.00 58.89 58.46 1nex h TRP 717 Cb 1.06 0.06 -0.28 0.00 -0.00 0.00 0.00 29.16 29.99 1nex h TRP 717 CO 0.58 0.23 -0.73 0.45 -0.00 0.00 0.00 178.44 178.97 1nex s SER 718 N -5.52 0.14 -0.01 -3.49 0.15 -1.14 -4.51 113.70 99.32 1nex s SER 718 Ca -0.11 -0.02 0.02 0.00 0.70 0.00 0.00 55.95 56.54 1nex s SER 718 Cb -0.00 -0.02 -0.00 0.00 -1.71 0.00 0.00 66.02 64.29 1nex s SER 718 CO 0.39 0.01 -0.07 0.54 1.20 0.00 0.00 173.24 175.31 1nex s VAL 719 N 0.03 0.57 -0.11 4.45 0.11 -1.26 -0.90 120.40 123.28 1nex s VAL 719 Ca -0.00 -0.29 -0.18 0.00 -2.93 0.00 0.00 61.98 58.58 1nex s VAL 719 Cb -0.01 -0.50 0.04 0.00 -1.53 0.00 0.00 36.38 34.39 1nex s VAL 719 CO -0.00 0.17 0.46 0.21 -3.33 0.00 0.00 175.10 172.61 1nex s ASN 720 N -0.03 -0.43 0.02 3.54 3.84 -0.50 -4.46 114.94 116.92 1nex s ASN 720 Ca 0.01 0.68 -0.11 0.00 0.21 0.00 0.00 52.86 53.65 1nex s ASN 720 Cb -0.04 0.72 0.01 0.00 -0.55 0.00 0.00 41.25 41.39 1nex s ASN 720 CO -0.00 -0.31 0.22 0.72 -2.79 0.00 0.00 177.10 174.94 1nex s PHE 721 N -0.40 -0.03 -0.28 0.43 -0.12 -1.26 -0.68 117.98 115.64 1nex s PHE 721 Ca -0.05 -0.06 -0.01 0.00 -0.05 0.00 0.00 56.93 56.76 1nex s PHE 721 Cb -0.03 0.01 0.17 0.00 -0.63 0.00 0.00 43.02 42.54 1nex s PHE 721 CO 0.03 -0.39 0.52 0.21 -0.05 0.00 0.00 175.22 175.55 1nex s LYS 722 N -1.90 0.50 5.98 1.99 2.36 -0.32 -5.01 119.74 123.33 1nex s LYS 722 Ca -0.10 0.77 0.00 0.00 -2.55 0.00 0.00 55.97 54.09 1nex s LYS 722 Cb -0.04 0.18 0.00 0.00 -1.05 0.00 0.00 37.83 36.92 1nex s LYS 722 CO -0.00 -0.70 0.00 0.41 1.55 0.00 0.00 175.35 176.61 1nex n GLY 723 N 5.41 1.31 0.26 5.54 0.00 -1.26 -3.14 105.19 113.31 1nex n GLY 723 Ca -0.01 -0.59 0.06 0.00 0.00 0.00 0.00 46.02 45.49 1nex n GLY 723 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1nex n LYS 724 N 12.65 1.33 -4.97 1.61 -0.00 -1.26 -4.79 118.16 122.73 1nex n LYS 724 Ca 0.00 -0.50 -0.31 0.00 -0.00 0.00 0.00 58.31 57.49 1nex n LYS 724 Cb 0.00 -1.23 -0.17 0.00 -0.00 0.00 0.00 35.03 33.63 1nex n LYS 724 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 1nex s THR 725 N -1.86 1.92 -0.08 0.58 2.01 -1.19 -0.14 115.64 116.88 1nex s THR 725 Ca 0.21 -0.92 0.04 0.00 0.31 0.00 0.00 61.69 61.32 1nex s THR 725 Cb 0.10 -1.68 -0.01 0.00 0.01 0.00 0.00 72.50 70.92 1nex s THR 725 CO 0.16 0.53 -0.21 -0.22 -0.69 0.00 0.00 174.62 174.18 1nex s LEU 726 N 0.54 2.29 0.05 4.42 2.96 -0.01 -1.18 118.68 127.74 1nex s LEU 726 Ca -0.15 -0.45 0.06 0.00 -0.22 0.00 0.00 54.13 53.37 1nex s LEU 726 Cb -0.17 -1.45 -0.02 0.00 0.50 0.00 0.00 46.19 45.04 1nex s LEU 726 CO 0.05 0.22 -0.16 0.68 -1.32 0.00 0.00 176.35 175.82 1nex s VAL 727 N 0.01 1.29 -0.08 1.68 -7.23 0.15 0.58 120.40 116.79 1nex s VAL 727 Ca -0.07 -1.12 -0.05 0.00 -1.81 0.00 0.00 61.98 58.92 1nex s VAL 727 Cb -0.15 -1.16 0.03 0.00 0.56 0.00 0.00 36.38 35.66 1nex s VAL 727 CO 0.05 0.02 0.20 0.00 -0.31 0.00 0.00 175.10 175.06 1nex s ALA 728 N -0.91 -0.45 -0.25 1.32 0.00 0.70 -1.41 121.76 120.76 1nex s ALA 728 Ca 0.03 0.73 -0.14 0.00 0.00 0.00 0.00 51.96 52.58 1nex s ALA 728 Cb -0.08 -0.46 -0.04 0.00 0.00 0.00 0.00 23.12 22.54 1nex s ALA 728 CO 0.02 -0.14 0.34 0.00 0.00 0.00 0.00 175.76 175.98 1nex s ALA 729 N 0.75 3.57 0.39 0.00 0.00 -0.08 0.84 121.76 127.22 1nex s ALA 729 Ca -0.05 -0.78 0.05 0.00 0.00 0.00 0.00 51.96 51.17 1nex s ALA 729 Cb -0.07 -2.64 -0.03 0.00 0.00 0.00 0.00 23.12 20.39 1nex s ALA 729 CO -0.04 -0.53 0.17 0.14 0.00 0.00 0.00 175.76 175.50 1nex s VAL 730 N 1.79 0.42 -0.06 0.00 -7.23 -0.54 -0.92 120.40 113.85 1nex s VAL 730 Ca 0.14 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.34 1nex s VAL 730 Cb -0.15 -2.38 0.01 0.00 0.56 0.00 0.00 36.38 34.42 1nex s VAL 730 CO 0.09 0.00 -0.12 -0.70 -0.31 0.00 0.00 175.10 174.06 1nex s GLU 731 N -3.65 1.64 -0.19 4.82 2.12 -0.07 -2.00 118.70 121.37 1nex s GLU 731 Ca 0.28 -0.41 -0.04 0.00 0.36 0.00 0.00 54.97 55.17 1nex s GLU 731 Cb 0.02 -1.37 0.06 0.00 0.26 0.00 0.00 34.13 33.11 1nex s GLU 731 CO 0.18 0.04 0.06 0.15 -0.54 0.00 0.00 175.26 175.15 1nex s LYS 732 N 0.60 0.42 -1.03 4.30 1.02 0.17 0.11 119.74 125.33 1nex s LYS 732 Ca -0.13 -0.32 -0.09 0.00 0.02 0.00 0.00 55.97 55.45 1nex s LYS 732 Cb -0.15 -1.97 -0.05 0.00 -0.52 0.00 0.00 37.83 35.14 1nex s LYS 732 CO 0.03 -0.68 0.86 -0.25 -0.92 0.00 0.00 175.35 174.40 1nex n ASP 733 N 5.13 -6.44 -2.93 2.83 10.43 -1.26 -3.03 116.55 121.28 1nex n ASP 733 Ca -0.08 -0.72 -0.21 0.00 2.57 0.00 0.00 54.79 56.35 1nex n ASP 733 Cb 0.47 -4.74 0.02 0.00 1.84 0.00 0.00 41.12 38.71 1nex n ASP 733 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1nex n GLY 734 N -1.40 -0.51 3.35 0.44 0.00 -1.26 -4.98 105.19 100.83 1nex n GLY 734 Ca -0.07 0.09 -0.14 0.00 0.00 0.00 0.00 46.02 45.90 1nex n GLY 734 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1nex s GLN 735 N -5.59 0.62 0.28 1.61 -0.21 -1.17 -4.64 119.66 110.56 1nex s GLN 735 Ca 0.24 0.44 -0.08 0.00 0.02 0.00 0.00 55.36 55.98 1nex s GLN 735 Cb -0.11 0.30 -0.07 0.00 1.00 0.00 0.00 33.01 34.13 1nex s GLN 735 CO 0.30 -0.12 0.59 -1.54 -2.12 0.00 0.00 175.29 172.41 1nex s SER 736 N -0.22 6.56 0.08 5.90 1.04 -1.26 -0.66 113.70 125.14 1nex s SER 736 Ca -0.04 0.90 -0.11 0.00 0.48 0.00 0.00 55.95 57.18 1nex s SER 736 Cb -0.03 -2.22 0.01 0.00 0.10 0.00 0.00 66.02 63.88 1nex s SER 736 CO 0.02 -0.17 0.26 -0.36 0.98 0.00 0.00 173.24 173.97 1nex s PHE 737 N -1.99 0.01 -0.17 5.02 0.08 -0.84 -2.08 117.98 118.00 1nex s PHE 737 Ca 0.47 -0.32 -0.05 0.00 0.12 0.00 0.00 56.93 57.16 1nex s PHE 737 Cb -0.11 0.04 -0.03 0.00 -0.57 0.00 0.00 43.02 42.35 1nex s PHE 737 CO 0.25 -0.54 -0.01 -1.17 -0.10 0.00 0.00 175.22 173.65 1nex s LEU 738 N -2.54 3.35 -0.14 -0.37 2.96 0.54 -1.47 118.68 121.01 1nex s LEU 738 Ca 0.01 -0.11 -0.03 0.00 -0.22 0.00 0.00 54.13 53.78 1nex s LEU 738 Cb 0.02 -1.83 -0.03 0.00 0.50 0.00 0.00 46.19 44.86 1nex s LEU 738 CO -0.08 0.14 -0.04 -1.61 -1.32 0.00 0.00 176.35 173.44 1nex s GLU 739 N 0.52 3.49 -0.12 1.98 0.41 0.25 -0.98 118.70 124.25 1nex s GLU 739 Ca -0.02 -0.52 0.02 0.00 -0.41 0.00 0.00 54.97 54.04 1nex s GLU 739 Cb -0.14 -2.85 0.02 0.00 -1.78 0.00 0.00 34.13 29.38 1nex s GLU 739 CO 0.02 0.33 -0.16 0.42 -0.49 0.00 0.00 175.26 175.38 1nex s ILE 740 N 0.12 1.59 -0.11 -1.63 1.01 -0.28 -0.22 121.20 121.68 1nex s ILE 740 Ca -0.01 -0.68 0.02 0.00 0.00 0.00 0.00 60.65 59.97 1nex s ILE 740 Cb -0.14 -1.45 -0.01 0.00 0.01 0.00 0.00 42.46 40.87 1nex s ILE 740 CO 0.03 0.46 -0.17 -0.76 0.00 0.00 0.00 174.94 174.50 1nex s LEU 741 N 1.06 2.53 -0.20 2.97 1.43 0.20 -1.52 118.68 125.14 1nex s LEU 741 Ca -0.04 -0.38 -0.07 0.00 -1.03 0.00 0.00 54.13 52.61 1nex s LEU 741 Cb -0.15 -1.54 -0.03 0.00 0.03 0.00 0.00 46.19 44.50 1nex s LEU 741 CO -0.03 0.19 0.05 -0.62 0.23 0.00 0.00 176.35 176.16 1nex s ASP 742 N 0.21 5.26 -0.04 2.29 -1.08 -0.52 -0.83 116.67 121.96 1nex s ASP 742 Ca -0.10 -0.08 0.08 0.00 -0.52 0.00 0.00 52.55 51.93 1nex s ASP 742 Cb -0.16 -1.91 0.19 0.00 -1.46 0.00 0.00 42.92 39.59 1nex s ASP 742 CO 0.06 0.09 1.15 0.49 0.52 0.00 0.00 175.17 177.48 1nex n PHE 743 N 4.09 0.25 1.73 -5.34 3.01 0.80 -1.71 117.46 120.29 1nex n PHE 743 Ca -0.17 -0.61 0.15 0.00 1.01 0.00 0.00 57.45 57.84 1nex n PHE 743 Cb 0.52 -0.08 0.72 0.00 -0.01 0.00 0.00 39.48 40.63 1nex n PHE 743 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64