#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gvk s GLY 268 N 0.00 2.96 0.38 2.92 0.00 -1.26 -5.00 107.32 107.32 3gvk s GLY 268 Ca 0.00 1.08 -0.28 0.00 0.00 0.00 0.00 44.72 45.52 3gvk s GLY 268 CO 0.00 1.66 1.49 1.20 0.00 0.00 0.00 173.10 177.46 3gvk s GLN 269 N -1.95 4.09 0.48 2.90 -1.52 -1.26 -4.94 119.66 117.45 3gvk s GLN 269 Ca 0.52 2.59 -0.23 0.00 -1.95 0.00 0.00 55.36 56.29 3gvk s GLN 269 Cb -0.35 -2.96 -0.07 0.00 -0.22 0.00 0.00 33.01 29.42 3gvk s GLN 269 CO 0.45 -0.56 1.20 0.15 -0.25 0.00 0.00 175.29 176.29 3gvk s LYS 270 N -2.12 3.64 -0.05 2.91 1.02 -1.26 -4.96 119.74 118.92 3gvk s LYS 270 Ca 0.53 1.87 0.03 0.00 0.02 0.00 0.00 55.97 58.42 3gvk s LYS 270 Cb -0.47 -2.38 0.00 0.00 -0.52 0.00 0.00 37.83 34.46 3gvk s LYS 270 CO 0.64 -0.68 -0.15 0.42 -0.92 0.00 0.00 175.35 174.66 3gvk s ILE 271 N -1.49 1.33 -0.26 2.17 1.01 -0.03 -5.02 121.20 118.90 3gvk s ILE 271 Ca 0.65 -0.63 -0.20 0.00 0.00 0.00 0.00 60.65 60.47 3gvk s ILE 271 Cb -0.31 -1.16 -0.02 0.00 0.01 0.00 0.00 42.46 40.98 3gvk s ILE 271 CO 0.37 0.39 0.63 0.21 0.00 0.00 0.00 174.94 176.55 3gvk s ASN 272 N 0.28 6.58 0.00 3.58 3.84 -1.26 -0.64 114.94 127.32 3gvk s ASN 272 Ca -0.09 0.69 0.28 0.00 0.21 0.00 0.00 52.86 53.96 3gvk s ASN 272 Cb -0.13 -2.34 0.97 0.00 -0.55 0.00 0.00 41.25 39.20 3gvk s ASN 272 CO 0.03 -0.38 1.70 0.61 -2.79 0.00 0.00 177.10 176.27 3gvk n GLY 273 N 4.17 0.01 2.74 1.21 0.00 -0.38 -4.96 105.19 107.98 3gvk n GLY 273 Ca -0.01 -0.46 -0.21 0.00 0.00 0.00 0.00 46.02 45.35 3gvk n GLY 273 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3gvk n ASN 274 N 0.18 -5.59 -0.17 1.61 5.03 -1.20 -2.01 115.26 113.11 3gvk n ASN 274 Ca 0.18 -0.13 -0.02 0.00 0.87 0.00 0.00 54.58 55.48 3gvk n ASN 274 Cb 0.37 -4.60 -0.01 0.00 -1.02 0.00 0.00 39.78 34.52 3gvk n ASN 274 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3gvk n GLY 275 N -1.21 0.54 3.91 7.41 0.00 0.39 -5.02 105.19 111.21 3gvk n GLY 275 Ca -0.16 -0.29 -0.27 0.00 0.00 0.00 0.00 46.02 45.29 3gvk n GLY 275 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gvk s LYS 276 N -1.30 3.54 -0.17 1.61 1.02 -0.85 -4.85 119.74 118.74 3gvk s LYS 276 Ca 0.00 0.16 -0.03 0.00 0.02 0.00 0.00 55.97 56.12 3gvk s LYS 276 Cb 0.00 -2.40 -0.02 0.00 -0.52 0.00 0.00 37.83 34.89 3gvk s LYS 276 CO 0.00 -0.17 -0.06 0.99 -0.92 0.00 0.00 175.35 175.20 3gvk s THR 277 N -2.69 3.54 -0.06 2.17 2.01 -1.26 -1.60 115.64 117.76 3gvk s THR 277 Ca 0.47 -0.47 0.03 0.00 0.31 0.00 0.00 61.69 62.03 3gvk s THR 277 Cb -0.10 -2.56 -0.03 0.00 0.01 0.00 0.00 72.50 69.83 3gvk s THR 277 CO 0.44 0.48 -0.14 -0.31 -0.69 0.00 0.00 174.62 174.40 3gvk s TYR 278 N 0.70 2.73 0.04 4.92 2.02 0.17 -4.95 117.35 122.98 3gvk s TYR 278 Ca -0.03 -0.19 -0.25 0.00 -0.37 0.00 0.00 57.07 56.23 3gvk s TYR 278 Cb -0.15 -1.66 -0.05 0.00 -0.40 0.00 0.00 41.96 39.70 3gvk s TYR 278 CO 0.02 0.16 0.77 0.21 -1.57 0.00 0.00 175.55 175.14 3gvk s LYS 279 N -0.64 4.50 0.05 -0.62 2.20 -1.26 -0.52 119.74 123.44 3gvk s LYS 279 Ca 0.09 1.07 0.01 0.00 -0.36 0.00 0.00 55.97 56.78 3gvk s LYS 279 Cb -0.11 -3.37 -0.03 0.00 -1.51 0.00 0.00 37.83 32.81 3gvk s LYS 279 CO 0.01 0.26 -0.05 0.14 -0.36 0.00 0.00 175.35 175.35 3gvk s VAL 280 N 0.02 0.35 -0.07 4.02 -7.23 -0.83 -4.94 120.40 111.73 3gvk s VAL 280 Ca 0.39 -1.38 0.21 0.00 -1.81 0.00 0.00 61.98 59.39 3gvk s VAL 280 Cb -0.20 -0.94 -0.30 0.00 0.56 0.00 0.00 36.38 35.50 3gvk s VAL 280 CO 0.23 -0.67 0.43 0.35 -0.31 0.00 0.00 175.10 175.13 3gvk n THR 281 N 0.88 0.32 -4.30 5.32 -2.24 -1.26 -4.43 114.28 108.57 3gvk n THR 281 Ca -0.19 -0.58 -0.21 0.00 -2.27 0.00 0.00 64.05 60.80 3gvk n THR 281 Cb 0.58 -0.12 -0.13 0.00 -2.10 0.00 0.00 70.33 68.56 3gvk n THR 281 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3gvk s SER 282 N -4.77 2.03 0.18 3.42 0.01 -1.26 -4.90 113.70 108.41 3gvk s SER 282 Ca -0.08 -0.59 -0.31 0.00 1.31 0.00 0.00 55.95 56.28 3gvk s SER 282 Cb 0.12 -0.11 -0.10 0.00 0.21 0.00 0.00 66.02 66.15 3gvk s SER 282 CO 0.89 0.02 1.53 -0.76 0.41 0.00 0.00 173.24 175.32 3gvk s LEU 283 N -1.60 4.37 0.00 2.44 1.43 -1.26 -5.00 118.68 119.07 3gvk s LEU 283 Ca 0.02 2.61 -0.03 0.00 -1.03 0.00 0.00 54.13 55.71 3gvk s LEU 283 Cb -0.09 -3.60 0.04 0.00 0.03 0.00 0.00 46.19 42.56 3gvk s LEU 283 CO 0.03 -0.79 0.22 -0.81 0.23 0.00 0.00 176.35 175.23 3gvk n PRO 284 N 3.63 -0.20 -2.46 1.29 -0.04 -1.26 -4.93 135.00 131.04 3gvk n PRO 284 Ca 0.12 -0.35 -0.38 0.00 -0.04 0.00 0.00 63.50 62.85 3gvk n PRO 284 Cb 0.39 -0.23 -0.03 0.00 -0.04 0.00 0.00 33.50 33.60 3gvk n PRO 284 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3gvk s ASP 285 N -1.81 6.27 0.22 3.54 -1.08 -1.26 -4.86 116.67 117.69 3gvk s ASP 285 Ca 0.13 -1.49 -0.08 0.00 -0.52 0.00 0.00 52.55 50.58 3gvk s ASP 285 Cb -0.00 -2.57 0.19 0.00 -1.46 0.00 0.00 42.92 39.08 3gvk s ASP 285 CO 0.09 -1.73 1.88 0.40 0.52 0.00 0.00 175.17 176.33 3gvk h ILE 286 N 6.66 1.23 0.00 4.11 2.04 -1.96 -1.66 117.51 127.93 3gvk h ILE 286 Ca 0.22 -0.46 0.00 0.00 1.00 0.00 0.00 64.86 65.63 3gvk h ILE 286 Cb 0.98 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.07 3gvk h ILE 286 CO 1.39 0.23 0.00 -1.54 0.00 0.00 0.00 178.15 178.23 3gvk n SER 287 N -4.46 0.00 0.21 1.72 3.41 -1.26 -1.38 113.62 111.86 3gvk n SER 287 Ca 0.09 0.25 0.09 0.00 -0.26 0.00 0.00 58.87 59.04 3gvk n SER 287 Cb 0.03 -0.38 0.30 0.00 -0.26 0.00 0.00 64.21 63.91 3gvk n SER 287 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 3gvk h ARG 288 N 0.00 0.00 -5.91 4.33 2.43 -1.66 -3.46 114.38 110.11 3gvk h ARG 288 Ca 0.00 0.00 -0.65 0.00 -0.81 0.00 0.00 59.98 58.52 3gvk h ARG 288 Cb 0.19 0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 29.66 3gvk h ARG 288 CO 0.00 0.21 -0.54 -0.06 -1.51 0.00 0.00 179.97 178.07 3gvk s PHE 289 N -3.35 3.39 0.11 2.20 0.08 -0.48 -0.85 117.98 119.09 3gvk s PHE 289 Ca 0.03 0.28 0.11 0.00 0.12 0.00 0.00 56.93 57.47 3gvk s PHE 289 Cb 0.08 -1.79 -0.04 0.00 -0.57 0.00 0.00 43.02 40.71 3gvk s PHE 289 CO 0.66 0.60 -0.27 0.96 -0.10 0.00 0.00 175.22 177.07 3gvk s ILE 290 N -1.21 2.21 -1.50 0.64 -4.36 0.19 -3.92 121.20 113.26 3gvk s ILE 290 Ca 0.23 -1.68 -0.10 0.00 -0.26 0.00 0.00 60.65 58.84 3gvk s ILE 290 Cb -0.12 -1.95 0.07 0.00 1.25 0.00 0.00 42.46 41.71 3gvk s ILE 290 CO 0.14 0.14 0.84 0.59 0.24 0.00 0.00 174.94 176.89 3gvk n ASN 291 N 1.09 -3.36 -4.05 4.36 3.02 -0.18 -1.25 115.26 114.89 3gvk n ASN 291 Ca -0.18 -0.84 -0.18 0.00 -0.03 0.00 0.00 54.58 53.35 3gvk n ASN 291 Cb 0.53 -3.68 -0.14 0.00 -0.61 0.00 0.00 39.78 35.87 3gvk n ASN 291 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3gvk s THR 292 N -3.45 0.76 -0.01 3.41 2.01 -1.26 -0.46 115.64 116.64 3gvk s THR 292 Ca 0.46 -0.56 0.08 0.00 0.31 0.00 0.00 61.69 61.98 3gvk s THR 292 Cb -0.24 -0.67 -0.02 0.00 0.01 0.00 0.00 72.50 71.59 3gvk s THR 292 CO 0.85 0.10 -0.25 -0.60 -0.69 0.00 0.00 174.62 174.03 3gvk s ARG 293 N -0.52 1.96 -0.05 4.92 3.52 -0.63 -0.67 118.95 127.48 3gvk s ARG 293 Ca 0.02 -0.93 0.05 0.00 -0.13 0.00 0.00 55.73 54.74 3gvk s ARG 293 Cb -0.05 -1.94 -0.02 0.00 -1.56 0.00 0.00 34.95 31.38 3gvk s ARG 293 CO 0.00 0.53 -0.19 -0.06 -0.81 0.00 0.00 175.30 174.76 3gvk s PHE 294 N -0.63 2.56 -0.20 5.12 0.08 0.15 -0.66 117.98 124.40 3gvk s PHE 294 Ca 0.10 -0.38 -0.06 0.00 0.12 0.00 0.00 56.93 56.71 3gvk s PHE 294 Cb -0.10 -1.61 -0.03 0.00 -0.57 0.00 0.00 43.02 40.72 3gvk s PHE 294 CO -0.00 0.02 0.03 0.54 -0.10 0.00 0.00 175.22 175.71 3gvk s VAL 295 N -0.50 4.33 -0.06 -0.44 0.11 0.32 -0.09 120.40 124.05 3gvk s VAL 295 Ca 0.06 -0.19 -0.05 0.00 -2.93 0.00 0.00 61.98 58.88 3gvk s VAL 295 Cb -0.11 -2.96 0.02 0.00 -1.53 0.00 0.00 36.38 31.80 3gvk s VAL 295 CO 0.01 0.43 0.16 -0.47 -3.33 0.00 0.00 175.10 171.90 3gvk s TYR 296 N 0.83 -0.19 -0.92 1.54 5.04 -0.56 -1.96 117.35 121.13 3gvk s TYR 296 Ca 0.02 0.47 -0.07 0.00 -2.44 0.00 0.00 57.07 55.05 3gvk s TYR 296 Cb -0.14 0.03 0.23 0.00 0.35 0.00 0.00 41.96 42.43 3gvk s TYR 296 CO 0.02 -0.11 0.84 -1.21 -1.34 0.00 0.00 175.55 173.75 3gvk s GLU 297 N 0.40 3.56 0.20 4.97 2.02 -1.26 -1.88 118.70 126.71 3gvk s GLU 297 Ca -0.03 -2.99 -0.10 0.00 0.02 0.00 0.00 54.97 51.88 3gvk s GLU 297 Cb -0.04 -4.23 0.26 0.00 0.10 0.00 0.00 34.13 30.22 3gvk s GLU 297 CO -0.02 -1.25 1.75 -0.09 0.02 0.00 0.00 175.26 175.67 3gvk h ARG 298 N 6.74 0.40 -5.03 1.61 2.43 -1.94 -3.34 114.38 115.26 3gvk h ARG 298 Ca 0.13 -0.02 -0.64 0.00 -0.81 0.00 0.00 59.98 58.63 3gvk h ARG 298 Cb 0.90 -0.09 -0.21 0.00 -0.42 0.00 0.00 29.97 30.15 3gvk h ARG 298 CO 0.87 0.26 -0.61 0.42 -1.51 0.00 0.00 179.97 179.39 3gvk s ILE 299 N -6.10 4.39 0.11 1.20 -1.09 -1.26 -5.07 121.20 113.38 3gvk s ILE 299 Ca -0.13 -0.15 -0.35 0.00 -2.23 0.00 0.00 60.65 57.79 3gvk s ILE 299 Cb 0.17 -3.03 -0.16 0.00 -1.58 0.00 0.00 42.46 37.85 3gvk s ILE 299 CO 0.74 0.37 1.27 -2.65 -1.23 0.00 0.00 174.94 173.44 3gvk n PRO 300 N 4.59 1.13 -0.54 2.79 -0.02 -1.25 -1.52 135.00 140.18 3gvk n PRO 300 Ca -0.16 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 61.73 3gvk n PRO 300 Cb 0.52 -2.00 0.00 0.00 -0.02 0.00 0.00 33.50 32.00 3gvk n PRO 300 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gvk n GLY 301 N 2.33 0.99 2.71 -1.23 0.00 -1.26 -4.99 105.19 103.74 3gvk n GLY 301 Ca 0.17 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.92 3gvk n GLY 301 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3gvk n GLN 302 N -2.00 1.65 -2.13 1.61 6.02 -0.57 -5.10 117.38 116.86 3gvk n GLN 302 Ca 0.00 -4.26 -0.41 0.00 -0.01 0.00 0.00 57.00 52.32 3gvk n GLN 302 Cb 0.00 -2.14 -0.02 0.00 1.02 0.00 0.00 30.24 29.10 3gvk n GLN 302 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 3gvk s PRO 303 N -1.39 4.35 0.11 -1.09 0.04 -1.26 -4.43 135.00 131.33 3gvk s PRO 303 Ca 0.29 2.18 0.03 0.00 0.04 0.00 0.00 61.00 63.54 3gvk s PRO 303 Cb 0.01 -3.12 -0.04 0.00 0.04 0.00 0.00 34.50 31.39 3gvk s PRO 303 CO -0.15 -0.25 -0.08 -0.51 0.04 0.00 0.00 177.00 176.05 3gvk s LEU 304 N -0.93 2.50 0.02 -3.56 1.43 -0.79 -4.81 118.68 112.54 3gvk s LEU 304 Ca 0.54 -0.97 0.04 0.00 -1.03 0.00 0.00 54.13 52.71 3gvk s LEU 304 Cb -0.39 -0.21 -0.03 0.00 0.03 0.00 0.00 46.19 45.59 3gvk s LEU 304 CO 0.46 -0.38 -0.07 -0.31 0.23 0.00 0.00 176.35 176.27 3gvk s TYR 305 N -3.29 2.86 -0.11 0.29 2.02 0.10 -1.50 117.35 117.72 3gvk s TYR 305 Ca 0.12 -0.06 -0.01 0.00 -0.37 0.00 0.00 57.07 56.75 3gvk s TYR 305 Cb 0.03 -1.58 0.03 0.00 -0.40 0.00 0.00 41.96 40.04 3gvk s TYR 305 CO -0.02 0.38 -0.03 0.71 -1.57 0.00 0.00 175.55 175.02 3gvk s TYR 306 N -1.03 1.14 -0.13 2.71 2.02 0.87 0.21 117.35 123.13 3gvk s TYR 306 Ca 0.18 -0.56 -0.16 0.00 -0.37 0.00 0.00 57.07 56.15 3gvk s TYR 306 Cb -0.11 -1.05 -0.04 0.00 -0.40 0.00 0.00 41.96 40.36 3gvk s TYR 306 CO 0.09 -0.46 0.40 0.00 -1.57 0.00 0.00 175.55 174.00 3gvk s ALA 307 N 1.82 3.53 0.88 3.71 0.00 -0.89 -0.68 121.76 130.14 3gvk s ALA 307 Ca 0.04 -0.30 -0.14 0.00 0.00 0.00 0.00 51.96 51.56 3gvk s ALA 307 Cb -0.13 -2.53 0.13 0.00 0.00 0.00 0.00 23.12 20.60 3gvk s ALA 307 CO -0.07 0.06 1.24 -1.54 0.00 0.00 0.00 175.76 175.46 3gvk s SER 308 N 0.47 3.87 0.29 0.00 1.04 0.16 -4.90 113.70 114.63 3gvk s SER 308 Ca 0.22 0.55 -0.30 0.00 0.48 0.00 0.00 55.95 56.90 3gvk s SER 308 Cb -0.14 -0.84 -0.13 0.00 0.10 0.00 0.00 66.02 65.01 3gvk s SER 308 CO 0.08 -2.29 1.38 -1.84 0.98 0.00 0.00 173.24 171.55 3gvk n GLU 309 N -3.53 2.17 -0.85 4.02 0.28 -1.25 -2.53 120.64 118.95 3gvk n GLU 309 Ca 0.11 0.77 0.00 0.00 -0.16 0.00 0.00 57.16 57.88 3gvk n GLU 309 Cb 0.60 -2.41 0.00 0.00 1.43 0.00 0.00 31.44 31.06 3gvk n GLU 309 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 3gvk n GLU 310 N 1.40 -0.11 -0.09 3.44 1.02 -1.26 -1.01 120.64 124.03 3gvk n GLU 310 Ca 0.08 0.03 -0.14 0.00 -0.02 0.00 0.00 57.16 57.11 3gvk n GLU 310 Cb 0.34 -3.27 -0.04 0.00 -0.02 0.00 0.00 31.44 28.45 3gvk n GLU 310 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 3gvk h PHE 311 N 0.00 1.01 -2.88 -0.32 3.57 -1.79 -3.41 116.94 113.13 3gvk h PHE 311 Ca 0.00 -0.34 -0.65 0.00 3.53 0.00 0.00 57.97 60.51 3gvk h PHE 311 Cb 0.05 -0.20 -0.09 0.00 2.79 0.00 0.00 35.95 38.50 3gvk h PHE 311 CO 0.03 1.15 -0.49 0.08 -2.23 0.00 0.00 178.31 176.85 3gvk s VAL 312 N -4.21 5.41 -1.13 1.41 1.01 -1.26 -4.98 120.40 116.64 3gvk s VAL 312 Ca -0.11 0.18 -0.21 0.00 0.00 0.00 0.00 61.98 61.83 3gvk s VAL 312 Cb 0.10 -3.39 0.06 0.00 0.00 0.00 0.00 36.38 33.14 3gvk s VAL 312 CO 0.87 0.56 1.58 -1.10 0.00 0.00 0.00 175.10 177.00 3gvk s GLN 313 N -0.56 3.74 0.17 2.72 -0.21 -1.26 -4.88 119.66 119.37 3gvk s GLN 313 Ca 0.12 -1.47 -0.24 0.00 0.02 0.00 0.00 55.36 53.79 3gvk s GLN 313 Cb -0.12 -5.43 0.06 0.00 1.00 0.00 0.00 33.01 28.52 3gvk s GLN 313 CO 0.02 -2.25 0.89 0.20 -2.12 0.00 0.00 175.29 172.03 3gvk s GLY 314 N 4.71 -0.23 -0.17 3.09 0.00 -1.26 -0.78 107.32 112.68 3gvk s GLY 314 Ca 0.50 0.12 -0.24 0.00 0.00 0.00 0.00 44.72 45.10 3gvk s GLY 314 CO -0.02 0.02 0.62 1.85 0.00 0.00 0.00 173.10 175.56 3gvk s GLU 315 N -3.41 0.82 -0.02 2.90 2.12 -0.28 -4.97 118.70 115.87 3gvk s GLU 315 Ca 0.11 0.63 -0.13 0.00 0.36 0.00 0.00 54.97 55.94 3gvk s GLU 315 Cb -0.02 0.40 -0.05 0.00 0.26 0.00 0.00 34.13 34.71 3gvk s GLU 315 CO 0.02 -0.16 0.35 -1.17 -0.54 0.00 0.00 175.26 173.76 3gvk s LEU 316 N -0.21 4.45 0.00 2.70 2.96 -1.26 -0.70 118.68 126.61 3gvk s LEU 316 Ca -0.04 0.85 0.06 0.00 -0.22 0.00 0.00 54.13 54.78 3gvk s LEU 316 Cb -0.03 -2.52 -0.02 0.00 0.50 0.00 0.00 46.19 44.12 3gvk s LEU 316 CO 0.04 0.33 -0.19 -0.36 -1.32 0.00 0.00 176.35 174.85 3gvk s PHE 317 N -1.10 1.69 -0.11 5.38 0.08 -0.05 -4.99 117.98 118.88 3gvk s PHE 317 Ca 0.23 -0.33 -0.21 0.00 0.12 0.00 0.00 56.93 56.74 3gvk s PHE 317 Cb -0.15 -1.06 -0.04 0.00 -0.57 0.00 0.00 43.02 41.20 3gvk s PHE 317 CO 0.12 0.01 0.58 0.21 -0.10 0.00 0.00 175.22 176.04 3gvk s LYS 318 N -0.67 4.36 -0.00 0.44 2.20 -1.26 -0.63 119.74 124.17 3gvk s LYS 318 Ca 0.07 0.64 0.01 0.00 -0.36 0.00 0.00 55.97 56.33 3gvk s LYS 318 Cb -0.08 -3.46 -0.01 0.00 -1.51 0.00 0.00 37.83 32.77 3gvk s LYS 318 CO 0.00 0.06 0.02 0.44 -0.36 0.00 0.00 175.35 175.51 3gvk n ILE 319 N 3.87 0.00 -4.30 5.43 -5.35 -0.02 -4.94 119.36 114.04 3gvk n ILE 319 Ca -0.04 -0.12 -0.21 0.00 -0.27 0.00 0.00 62.75 62.11 3gvk n ILE 319 Cb 0.51 0.59 -0.11 0.00 -1.74 0.00 0.00 39.64 38.89 3gvk n ILE 319 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 3gvk s THR 320 N -1.85 1.69 -0.45 7.28 -4.23 -1.09 -4.83 115.64 112.16 3gvk s THR 320 Ca -0.00 -1.79 0.07 0.00 -1.18 0.00 0.00 61.69 58.78 3gvk s THR 320 Cb 0.01 -1.71 0.23 0.00 1.34 0.00 0.00 72.50 72.37 3gvk s THR 320 CO 0.03 -0.28 0.71 -0.67 -0.54 0.00 0.00 174.62 173.87 3gvk n ASP 321 N 0.52 -1.79 -4.30 3.99 2.03 -1.26 -4.24 116.55 111.50 3gvk n ASP 321 Ca -0.15 -3.00 -0.17 0.00 0.52 0.00 0.00 54.79 51.99 3gvk n ASP 321 Cb 0.56 0.85 -0.10 0.00 -0.72 0.00 0.00 41.12 41.71 3gvk n ASP 321 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 3gvk s THR 322 N 0.06 1.50 -0.54 5.18 -4.23 -1.26 -5.06 115.64 111.30 3gvk s THR 322 Ca 0.33 -2.04 0.24 0.00 -1.18 0.00 0.00 61.69 59.03 3gvk s THR 322 Cb 0.17 -1.86 0.25 0.00 1.34 0.00 0.00 72.50 72.40 3gvk s THR 322 CO -0.18 -0.58 1.71 -2.65 -0.54 0.00 0.00 174.62 172.39 3gvk n PRO 323 N -0.08 0.19 -1.30 3.99 -0.02 -1.26 -4.77 135.00 131.75 3gvk n PRO 323 Ca -0.11 0.38 -0.32 0.00 -2.02 0.00 0.00 63.50 61.44 3gvk n PRO 323 Cb 0.59 -1.84 0.09 0.00 -0.02 0.00 0.00 33.50 32.32 3gvk n PRO 323 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 3gvk s TYR 324 N -3.27 2.43 -0.75 6.00 2.02 -1.26 -0.76 117.35 121.75 3gvk s TYR 324 Ca 0.05 1.59 -0.26 0.00 -0.37 0.00 0.00 57.07 58.09 3gvk s TYR 324 Cb 0.10 -3.14 -0.01 0.00 -0.40 0.00 0.00 41.96 38.51 3gvk s TYR 324 CO 0.41 -1.96 1.75 -0.47 -1.57 0.00 0.00 175.55 173.72 3gvk s TYR 325 N -2.70 1.88 -0.44 2.71 6.04 0.48 -4.50 117.35 120.82 3gvk s TYR 325 Ca 0.64 0.46 -0.16 0.00 0.04 0.00 0.00 57.07 58.05 3gvk s TYR 325 Cb -0.19 -4.22 0.04 0.00 -1.04 0.00 0.00 41.96 36.55 3gvk s TYR 325 CO 0.53 -2.08 0.36 -0.80 -1.54 0.00 0.00 175.55 172.01 3gvk s ASN 326 N 7.10 6.14 0.15 4.32 0.02 -0.76 -1.62 114.94 130.29 3gvk s ASN 326 Ca 0.61 -1.00 -0.03 0.00 -1.02 0.00 0.00 52.86 51.41 3gvk s ASN 326 Cb -0.09 -2.18 0.01 0.00 0.02 0.00 0.00 41.25 39.01 3gvk s ASN 326 CO 0.11 -0.55 0.26 0.00 0.02 0.00 0.00 177.10 176.94 3gvk n ALA 327 N 5.28 -0.43 -3.36 0.60 0.00 -1.06 -2.69 120.51 118.84 3gvk n ALA 327 Ca -0.11 -0.58 -0.17 0.00 0.00 0.00 0.00 53.44 52.58 3gvk n ALA 327 Cb 0.46 0.47 0.07 0.00 0.00 0.00 0.00 19.45 20.45 3gvk n ALA 327 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 3gvk n TRP 328 N -0.22 -2.31 0.32 0.00 8.01 -1.26 -2.01 117.44 119.96 3gvk n TRP 328 Ca -0.02 0.85 0.19 0.00 -1.31 0.00 0.00 57.50 57.21 3gvk n TRP 328 Cb 0.24 -4.35 1.05 0.00 -2.01 0.00 0.00 31.31 26.25 3gvk n TRP 328 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.69 175.33 3gvk h PRO 329 N -1.41 0.00 -6.33 -0.99 0.11 -1.73 -3.34 132.00 118.30 3gvk h PRO 329 Ca -0.61 0.00 -0.65 0.00 0.11 0.00 0.00 66.00 64.85 3gvk h PRO 329 Cb 1.33 0.00 0.04 0.00 0.11 0.00 0.00 31.00 32.48 3gvk h PRO 329 CO 0.47 0.01 0.73 0.00 -0.21 0.00 0.00 178.00 179.00 3gvk n GLN 330 N -3.38 1.63 -3.79 1.05 10.64 -0.16 -1.12 117.38 122.23 3gvk n GLN 330 Ca -0.03 0.59 -0.29 0.00 -1.83 0.00 0.00 57.00 55.45 3gvk n GLN 330 Cb 0.10 -2.31 -0.12 0.00 -0.86 0.00 0.00 30.24 27.05 3gvk n GLN 330 CO 0.00 0.00 0.00 0.34 -1.83 0.00 0.00 177.06 175.57 3gvk s ASP 331 N 1.62 3.95 0.00 2.61 2.15 -0.20 -4.44 116.67 122.35 3gvk s ASP 331 Ca 0.86 -3.23 0.00 0.00 0.43 0.00 0.00 52.55 50.61 3gvk s ASP 331 Cb -0.84 -1.32 0.00 0.00 -0.30 0.00 0.00 42.92 40.46 3gvk s ASP 331 CO 0.47 -0.18 0.02 0.29 -0.17 0.00 0.00 175.17 175.61 3gvk n LYS 332 N 2.77 5.57 -2.07 4.34 5.02 -0.28 -3.91 118.16 129.60 3gvk n LYS 332 Ca 0.15 -0.02 -0.37 0.00 -2.02 0.00 0.00 58.31 56.05 3gvk n LYS 332 Cb 0.36 -0.45 0.02 0.00 -0.02 0.00 0.00 35.03 34.93 3gvk n LYS 332 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3gvk s ALA 333 N -0.80 2.72 0.19 7.82 0.00 -1.26 -4.57 121.76 125.86 3gvk s ALA 333 Ca 0.00 1.02 -0.20 0.00 0.00 0.00 0.00 51.96 52.79 3gvk s ALA 333 Cb 0.00 -3.44 0.04 0.00 0.00 0.00 0.00 23.12 19.72 3gvk s ALA 333 CO 0.00 -1.02 0.56 -0.59 0.00 0.00 0.00 175.76 174.71 3gvk s PHE 334 N -1.55 -0.27 -0.15 0.00 -0.12 -1.13 -4.86 117.98 109.90 3gvk s PHE 334 Ca 0.72 -0.04 -0.00 0.00 -0.05 0.00 0.00 56.93 57.56 3gvk s PHE 334 Cb -0.31 0.47 -0.01 0.00 -0.63 0.00 0.00 43.02 42.55 3gvk s PHE 334 CO 0.35 -0.92 -0.13 0.08 -0.05 0.00 0.00 175.22 174.55 3gvk s VAL 335 N -3.83 2.90 -0.09 -2.49 1.01 -1.26 -1.03 120.40 115.61 3gvk s VAL 335 Ca 0.06 -0.70 -0.01 0.00 0.00 0.00 0.00 61.98 61.33 3gvk s VAL 335 Cb -0.01 -2.23 0.03 0.00 0.00 0.00 0.00 36.38 34.17 3gvk s VAL 335 CO -0.06 0.51 -0.03 -0.47 0.00 0.00 0.00 175.10 175.06 3gvk s TYR 336 N 0.63 0.99 -1.11 5.22 5.04 -0.58 -4.91 117.35 122.63 3gvk s TYR 336 Ca -0.07 -0.40 -0.25 0.00 -2.44 0.00 0.00 57.07 53.90 3gvk s TYR 336 Cb -0.16 -0.98 0.03 0.00 0.35 0.00 0.00 41.96 41.21 3gvk s TYR 336 CO 0.03 -0.41 0.67 0.39 -1.34 0.00 0.00 175.55 174.89 3gvk n GLU 337 N 5.07 -0.62 -0.31 4.97 1.02 -1.26 -2.06 120.64 127.45 3gvk n GLU 337 Ca -0.09 0.27 0.00 0.00 -0.02 0.00 0.00 57.16 57.32 3gvk n GLU 337 Cb 0.50 -2.55 0.00 0.00 -0.02 0.00 0.00 31.44 29.37 3gvk n GLU 337 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3gvk n ASN 338 N -2.29 0.00 -4.53 1.62 3.02 -1.26 -5.01 115.26 106.81 3gvk n ASN 338 Ca -0.16 0.00 -0.34 0.00 -0.03 0.00 0.00 54.58 54.05 3gvk n ASN 338 Cb 0.60 0.00 -0.12 0.00 -0.61 0.00 0.00 39.78 39.65 3gvk n ASN 338 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3gvk s VAL 339 N -3.23 3.96 -0.23 2.41 1.01 -0.87 -4.82 120.40 118.62 3gvk s VAL 339 Ca 0.00 -0.34 -0.19 0.00 0.00 0.00 0.00 61.98 61.44 3gvk s VAL 339 Cb 0.00 -2.72 -0.03 0.00 0.00 0.00 0.00 36.38 33.64 3gvk s VAL 339 CO 0.00 0.51 0.57 -0.63 0.00 0.00 0.00 175.10 175.56 3gvk s ILE 340 N 0.13 5.05 -0.19 2.22 1.01 -0.80 -1.52 121.20 127.09 3gvk s ILE 340 Ca -0.01 1.04 -0.07 0.00 0.00 0.00 0.00 60.65 61.61 3gvk s ILE 340 Cb -0.14 -3.89 -0.04 0.00 0.01 0.00 0.00 42.46 38.41 3gvk s ILE 340 CO 0.03 0.10 0.05 -0.31 0.00 0.00 0.00 174.94 174.81 3gvk s TYR 341 N 2.08 3.20 -0.71 3.97 2.02 -0.19 -0.97 117.35 126.74 3gvk s TYR 341 Ca 0.25 -0.03 0.04 0.00 -0.37 0.00 0.00 57.07 56.96 3gvk s TYR 341 Cb -0.16 -2.09 0.17 0.00 -0.40 0.00 0.00 41.96 39.49 3gvk s TYR 341 CO 0.09 0.06 0.51 0.00 -1.57 0.00 0.00 175.55 174.64 3gvk s ALA 342 N 0.55 3.82 0.53 3.71 0.00 0.20 -2.82 121.76 127.75 3gvk s ALA 342 Ca 0.03 -3.75 -0.18 0.00 0.00 0.00 0.00 51.96 48.05 3gvk s ALA 342 Cb -0.13 -2.29 -0.06 0.00 0.00 0.00 0.00 23.12 20.64 3gvk s ALA 342 CO 0.01 -2.10 1.05 -2.14 0.00 0.00 0.00 175.76 172.58 3gvk s PRO 343 N -1.25 3.60 0.15 0.00 0.02 -1.26 -2.46 135.00 133.80 3gvk s PRO 343 Ca 0.24 1.28 -0.06 0.00 0.02 0.00 0.00 61.00 62.48 3gvk s PRO 343 Cb -0.08 -2.07 0.02 0.00 0.02 0.00 0.00 34.50 32.39 3gvk s PRO 343 CO -0.13 -0.59 0.30 2.48 -0.33 0.00 0.00 177.00 178.73 3gvk n TYR 344 N -1.46 -1.51 -4.50 6.54 0.18 0.82 -4.23 117.16 113.00 3gvk n TYR 344 Ca 0.09 -0.73 -0.30 0.00 1.88 0.00 0.00 57.90 58.84 3gvk n TYR 344 Cb 0.53 0.36 -0.17 0.00 -0.38 0.00 0.00 39.34 39.68 3gvk n TYR 344 CO 0.00 0.00 0.00 -1.64 -2.08 0.00 0.00 176.86 173.14 3gvk s MET 345 N -2.04 2.55 -0.35 -3.48 -1.94 -0.85 -1.04 119.30 112.15 3gvk s MET 345 Ca 0.06 -0.68 -0.10 0.00 -1.71 0.00 0.00 55.69 53.26 3gvk s MET 345 Cb -0.02 -2.13 0.02 0.00 2.01 0.00 0.00 34.83 34.71 3gvk s MET 345 CO 0.05 -0.06 0.17 0.20 -0.01 0.00 0.00 175.02 175.37 3gvk s GLY 346 N 0.96 1.89 0.00 -0.03 0.00 -0.86 -2.56 107.32 106.73 3gvk s GLY 346 Ca -0.06 -1.59 0.00 0.00 0.00 0.00 0.00 44.72 43.07 3gvk s GLY 346 CO -0.03 0.78 0.00 -1.14 0.00 0.00 0.00 173.10 172.71 3gvk n SER 347 N 4.97 0.80 -0.09 1.64 3.41 -0.64 -1.61 113.62 122.11 3gvk n SER 347 Ca -0.13 0.00 0.01 0.00 -0.26 0.00 0.00 58.87 58.49 3gvk n SER 347 Cb 0.47 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.43 3gvk n SER 347 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3gvk n ASP 348 N 0.00 1.46 -3.57 4.04 5.68 -1.04 -0.39 116.55 122.73 3gvk n ASP 348 Ca 0.00 -1.36 -0.01 0.00 -0.50 0.00 0.00 54.79 52.92 3gvk n ASP 348 Cb 0.00 -0.01 0.01 0.00 -1.14 0.00 0.00 41.12 39.97 3gvk n ASP 348 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3gvk s ARG 349 N -0.41 0.95 -1.17 0.11 1.70 -1.26 -4.86 118.95 114.01 3gvk s ARG 349 Ca 0.03 -0.59 -0.22 0.00 -0.47 0.00 0.00 55.73 54.49 3gvk s ARG 349 Cb 0.02 0.28 -0.02 0.00 -0.57 0.00 0.00 34.95 34.66 3gvk s ARG 349 CO 0.03 -0.44 1.83 0.00 -1.08 0.00 0.00 175.30 175.63 3gvk s ALA 350 N -2.40 2.34 0.00 7.88 0.00 -1.26 -4.71 121.76 123.60 3gvk s ALA 350 Ca 0.20 -2.31 0.00 0.00 0.00 0.00 0.00 51.96 49.85 3gvk s ALA 350 Cb -0.01 -4.64 0.00 0.00 0.00 0.00 0.00 23.12 18.48 3gvk s ALA 350 CO 0.02 -4.43 0.00 0.41 0.00 0.00 0.00 175.76 171.76 3gvk n GLY 351 N 5.93 -1.82 1.14 0.00 0.00 -1.26 -5.04 105.19 104.14 3gvk n GLY 351 Ca 0.44 -1.15 0.11 0.00 0.00 0.00 0.00 46.02 45.43 3gvk n GLY 351 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3gvk n VAL 352 N 2.49 0.56 -1.84 1.61 0.24 -1.26 -4.78 118.33 115.35 3gvk n VAL 352 Ca 0.00 -0.78 -0.42 0.00 -2.04 0.00 0.00 64.34 61.10 3gvk n VAL 352 Cb 0.00 0.92 -0.02 0.00 -1.47 0.00 0.00 33.84 33.27 3gvk n VAL 352 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 3gvk s SER 353 N -1.39 6.46 -1.67 -1.34 0.15 -1.26 -2.68 113.70 111.97 3gvk s SER 353 Ca 0.38 2.83 0.00 0.00 0.70 0.00 0.00 55.95 59.86 3gvk s SER 353 Cb 0.22 -2.62 0.00 0.00 -1.71 0.00 0.00 66.02 61.91 3gvk s SER 353 CO 0.31 -0.86 0.00 0.54 1.20 0.00 0.00 173.24 174.42 3gvk n ARG 354 N 2.71 -1.47 -2.85 5.44 1.74 -1.26 -2.51 116.66 118.47 3gvk n ARG 354 Ca 0.10 0.98 -0.41 0.00 -0.77 0.00 0.00 57.85 57.75 3gvk n ARG 354 Cb 0.38 -5.30 -0.04 0.00 -1.02 0.00 0.00 32.46 26.48 3gvk n ARG 354 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 3gvk s LEU 355 N -3.84 4.42 -0.09 0.55 0.20 -1.09 -4.45 118.68 114.38 3gvk s LEU 355 Ca 0.00 1.56 0.04 0.00 0.69 0.00 0.00 54.13 56.42 3gvk s LEU 355 Cb 0.00 -3.40 0.00 0.00 -0.43 0.00 0.00 46.19 42.36 3gvk s LEU 355 CO 0.00 -0.11 -0.22 -1.00 -0.29 0.00 0.00 176.35 174.73 3gvk s HIS 356 N 0.41 2.35 0.06 5.38 3.76 -0.63 -4.64 115.29 121.98 3gvk s HIS 356 Ca 0.45 -0.91 -0.31 0.00 -0.15 0.00 0.00 55.06 54.14 3gvk s HIS 356 Cb -0.21 -1.58 -0.07 0.00 1.11 0.00 0.00 32.58 31.83 3gvk s HIS 356 CO 0.25 -0.36 1.53 0.08 -0.85 0.00 0.00 174.74 175.40 3gvk s VAL 357 N 0.30 3.26 0.19 -0.90 1.01 -1.26 -2.02 120.40 120.98 3gvk s VAL 357 Ca -0.16 0.74 0.02 0.00 0.00 0.00 0.00 61.98 62.58 3gvk s VAL 357 Cb -0.17 -3.47 -0.05 0.00 0.00 0.00 0.00 36.38 32.69 3gvk s VAL 357 CO 0.07 0.01 0.02 -0.44 0.00 0.00 0.00 175.10 174.77 3gvk s SER 358 N 1.98 1.20 0.06 3.32 0.01 -0.20 0.49 113.70 120.56 3gvk s SER 358 Ca 0.69 -1.22 -0.06 0.00 1.31 0.00 0.00 55.95 56.67 3gvk s SER 358 Cb -0.37 0.13 -0.01 0.00 0.21 0.00 0.00 66.02 65.98 3gvk s SER 358 CO 0.30 -0.61 0.11 -1.66 0.41 0.00 0.00 173.24 171.80 3gvk s TRP 359 N -3.68 0.23 0.18 2.43 -2.14 -0.66 -0.12 118.94 115.18 3gvk s TRP 359 Ca 0.27 -0.63 0.11 0.00 2.66 0.00 0.00 56.10 58.52 3gvk s TRP 359 Cb 0.06 -0.15 -0.04 0.00 -3.10 0.00 0.00 33.47 30.24 3gvk s TRP 359 CO 0.06 -0.44 -0.24 0.14 -2.66 0.00 0.00 176.95 173.81 3gvk s VAL 360 N -3.34 2.26 0.12 -0.66 -7.23 -1.03 -1.56 120.40 108.96 3gvk s VAL 360 Ca 0.01 -1.96 0.06 0.00 -1.81 0.00 0.00 61.98 58.28 3gvk s VAL 360 Cb 0.03 -2.06 -0.04 0.00 0.56 0.00 0.00 36.38 34.88 3gvk s VAL 360 CO -0.08 -0.10 -0.15 -0.54 -0.31 0.00 0.00 175.10 173.92 3gvk s LYS 361 N -2.56 1.02 -0.10 4.82 1.02 -1.26 -0.63 119.74 122.06 3gvk s LYS 361 Ca 0.19 -1.21 0.04 0.00 0.02 0.00 0.00 55.97 55.00 3gvk s LYS 361 Cb -0.08 -0.95 0.00 0.00 -0.52 0.00 0.00 37.83 36.27 3gvk s LYS 361 CO 0.09 0.19 -0.23 0.45 -0.92 0.00 0.00 175.35 174.92 3gvk s SER 362 N -2.35 3.02 -0.13 2.83 0.15 -0.15 -0.65 113.70 116.43 3gvk s SER 362 Ca 0.08 -0.54 0.15 0.00 0.70 0.00 0.00 55.95 56.34 3gvk s SER 362 Cb -0.06 -1.35 0.55 0.00 -1.71 0.00 0.00 66.02 63.45 3gvk s SER 362 CO 0.03 0.16 1.47 0.61 1.20 0.00 0.00 173.24 176.71 3gvk n GLY 363 N 3.51 3.36 2.57 9.45 0.00 -1.26 -1.91 105.19 120.91 3gvk n GLY 363 Ca -0.19 -0.84 0.01 0.00 0.00 0.00 0.00 46.02 45.00 3gvk n GLY 363 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3gvk n ASP 364 N 0.20 1.48 -3.13 1.61 5.68 -1.26 -4.98 116.55 116.14 3gvk n ASP 364 Ca 0.21 -2.03 -0.23 0.00 -0.50 0.00 0.00 54.79 52.24 3gvk n ASP 364 Cb 0.82 -0.44 0.04 0.00 -1.14 0.00 0.00 41.12 40.40 3gvk n ASP 364 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 3gvk n ASP 365 N -0.39 -6.07 0.00 -1.12 8.00 -1.26 -3.23 116.55 112.49 3gvk n ASP 365 Ca 0.07 -0.34 0.00 0.00 0.71 0.00 0.00 54.79 55.23 3gvk n ASP 365 Cb 0.87 -4.88 0.00 0.00 -0.02 0.00 0.00 41.12 37.09 3gvk n ASP 365 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3gvk n GLY 366 N -1.59 0.69 0.15 0.44 0.00 -1.26 -4.97 105.19 98.65 3gvk n GLY 366 Ca -0.09 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.79 3gvk n GLY 366 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3gvk h GLN 367 N 4.16 0.41 -4.91 1.61 4.20 -1.97 -3.46 115.11 115.15 3gvk h GLN 367 Ca 0.00 -0.27 -0.31 0.00 0.06 0.00 0.00 58.65 58.13 3gvk h GLN 367 Cb 0.00 0.04 -0.18 0.00 0.30 0.00 0.00 27.48 27.64 3gvk h GLN 367 CO 0.00 0.88 -0.73 0.95 -0.67 0.00 0.00 178.83 179.26 3gvk s THR 368 N -3.97 0.88 0.16 -0.54 -4.23 -1.26 -5.07 115.64 101.61 3gvk s THR 368 Ca -0.14 -1.59 0.06 0.00 -1.18 0.00 0.00 61.69 58.84 3gvk s THR 368 Cb 0.05 -1.30 -0.04 0.00 1.34 0.00 0.00 72.50 72.55 3gvk s THR 368 CO 0.78 -0.56 -0.12 0.26 -0.54 0.00 0.00 174.62 174.44 3gvk s TRP 369 N -2.39 1.44 0.68 3.99 0.52 -1.26 -4.26 118.94 117.66 3gvk s TRP 369 Ca 0.04 -0.66 -0.06 0.00 0.02 0.00 0.00 56.10 55.44 3gvk s TRP 369 Cb -0.03 -0.71 0.05 0.00 -1.15 0.00 0.00 33.47 31.63 3gvk s TRP 369 CO -0.00 0.19 0.99 -1.54 0.02 0.00 0.00 176.95 176.61 3gvk s SER 370 N -3.08 4.95 0.25 2.95 1.04 0.18 -4.94 113.70 115.05 3gvk s SER 370 Ca 0.17 0.50 -0.30 0.00 0.48 0.00 0.00 55.95 56.80 3gvk s SER 370 Cb 0.00 -1.21 -0.10 0.00 0.10 0.00 0.00 66.02 64.82 3gvk s SER 370 CO 0.03 -1.50 1.36 -0.89 0.98 0.00 0.00 173.24 173.22 3gvk s THR 371 N -3.20 2.89 0.28 2.02 2.01 -1.26 -4.59 115.64 113.79 3gvk s THR 371 Ca 0.59 0.77 -0.30 0.00 0.31 0.00 0.00 61.69 63.07 3gvk s THR 371 Cb -0.11 -3.49 -0.13 0.00 0.01 0.00 0.00 72.50 68.78 3gvk s THR 371 CO 0.45 0.13 1.36 -2.65 -0.69 0.00 0.00 174.62 173.22 3gvk n PRO 372 N 2.12 2.07 -4.77 4.92 -0.02 -1.26 -4.83 135.00 133.22 3gvk n PRO 372 Ca 0.05 0.73 -0.33 0.00 -2.02 0.00 0.00 63.50 61.93 3gvk n PRO 372 Cb 0.42 -2.36 -0.14 0.00 -0.02 0.00 0.00 33.50 31.40 3gvk n PRO 372 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3gvk s GLU 373 N -0.97 3.20 -0.15 -0.52 2.12 -0.60 -4.98 118.70 116.80 3gvk s GLU 373 Ca 0.63 -0.67 -0.28 0.00 0.36 0.00 0.00 54.97 55.01 3gvk s GLU 373 Cb -0.62 -2.59 -0.01 0.00 0.26 0.00 0.00 34.13 31.17 3gvk s GLU 373 CO 0.54 0.32 0.96 -1.58 -0.54 0.00 0.00 175.26 174.96 3gvk s TRP 374 N 0.08 3.45 -0.09 5.30 0.51 -1.26 -1.65 118.94 125.28 3gvk s TRP 374 Ca -0.05 1.46 0.15 0.00 -2.12 0.00 0.00 56.10 55.54 3gvk s TRP 374 Cb -0.15 -3.15 -0.20 0.00 -0.81 0.00 0.00 33.47 29.17 3gvk s TRP 374 CO 0.04 -0.28 0.65 1.28 -0.51 0.00 0.00 176.95 178.14 3gvk n LEU 375 N 5.33 0.74 -4.33 2.99 4.77 0.18 -4.92 117.00 121.76 3gvk n LEU 375 Ca 0.08 0.34 -0.25 0.00 -0.03 0.00 0.00 56.01 56.15 3gvk n LEU 375 Cb 0.48 0.17 -0.12 0.00 -2.33 0.00 0.00 43.42 41.62 3gvk n LEU 375 CO 0.51 0.30 -0.53 0.42 -1.33 0.00 0.00 177.39 176.76 3gvk s THR 376 N -2.74 1.91 0.68 -5.08 -4.23 -1.11 -4.98 115.64 100.09 3gvk s THR 376 Ca -0.05 -1.68 -0.01 0.00 -1.18 0.00 0.00 61.69 58.78 3gvk s THR 376 Cb 0.08 -1.74 0.10 0.00 1.34 0.00 0.00 72.50 72.28 3gvk s THR 376 CO 0.82 -0.06 0.95 -1.81 -0.54 0.00 0.00 174.62 173.98 3gvk s ASP 377 N -2.09 4.57 0.34 3.99 1.01 -1.26 -4.49 116.67 118.74 3gvk s ASP 377 Ca 0.10 -0.26 -0.29 0.00 0.71 0.00 0.00 52.55 52.82 3gvk s ASP 377 Cb -0.09 -0.24 -0.11 0.00 1.01 0.00 0.00 42.92 43.49 3gvk s ASP 377 CO 0.05 -1.69 1.38 -0.76 0.21 0.00 0.00 175.17 174.36 3gvk s LEU 378 N -5.06 4.39 0.39 1.23 1.43 -1.26 -4.81 118.68 114.98 3gvk s LEU 378 Ca 0.64 2.82 -0.25 0.00 -1.03 0.00 0.00 54.13 56.31 3gvk s LEU 378 Cb -0.07 -3.65 -0.11 0.00 0.03 0.00 0.00 46.19 42.39 3gvk s LEU 378 CO 0.43 -0.67 1.06 1.57 0.23 0.00 0.00 176.35 178.97 3gvk n HIS 379 N 0.78 1.37 -0.24 0.29 -0.00 -1.26 -4.87 115.22 111.29 3gvk n HIS 379 Ca 0.01 0.57 0.30 0.00 -0.00 0.00 0.00 57.72 58.61 3gvk n HIS 379 Cb 0.41 -2.26 0.72 0.00 -0.00 0.00 0.00 29.99 28.85 3gvk n HIS 379 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 3gvk h PRO 380 N 1.75 0.04 -0.49 1.57 0.11 -1.92 -0.90 132.00 132.15 3gvk h PRO 380 Ca -0.44 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3gvk h PRO 380 Cb 1.33 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.43 3gvk h PRO 380 CO 0.58 0.02 0.00 -0.25 -0.21 0.00 0.00 178.00 178.14 3gvk n ASP 381 N -4.26 5.23 -4.77 -2.05 8.00 -1.26 -4.97 116.55 112.47 3gvk n ASP 381 Ca 0.21 -2.95 -0.41 0.00 0.71 0.00 0.00 54.79 52.35 3gvk n ASP 381 Cb 1.05 -0.65 0.00 0.00 -0.02 0.00 0.00 41.12 41.51 3gvk n ASP 381 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gvk n TYR 382 N 0.32 2.95 -0.80 1.24 9.36 -0.35 -1.22 117.16 128.67 3gvk n TYR 382 Ca 0.26 0.45 -0.06 0.00 3.32 0.00 0.00 57.90 61.87 3gvk n TYR 382 Cb 1.11 -2.52 0.27 0.00 -0.63 0.00 0.00 39.34 37.57 3gvk n TYR 382 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3gvk n PRO 383 N 0.34 3.42 0.01 2.98 -0.04 -1.26 -4.92 135.00 135.54 3gvk n PRO 383 Ca 0.02 -2.72 -0.18 0.00 -0.04 0.00 0.00 63.50 60.58 3gvk n PRO 383 Cb 0.39 -2.12 -0.12 0.00 -0.04 0.00 0.00 33.50 31.62 3gvk n PRO 383 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 3gvk h THR 384 N 2.37 1.46 -3.96 0.52 2.02 -1.57 -3.42 112.91 110.32 3gvk h THR 384 Ca 0.25 -2.14 -0.22 0.00 0.77 0.00 0.00 66.41 65.07 3gvk h THR 384 Cb 2.18 2.72 -0.15 0.00 -1.74 0.00 0.00 68.15 71.16 3gvk h THR 384 CO 0.67 0.62 -0.68 0.68 0.37 0.00 0.00 175.52 177.18 3gvk s VAL 385 N -3.07 0.52 0.22 3.16 -7.23 -1.18 -2.16 120.40 110.67 3gvk s VAL 385 Ca -0.14 -1.92 -0.14 0.00 -1.81 0.00 0.00 61.98 57.97 3gvk s VAL 385 Cb 0.03 -1.82 0.01 0.00 0.56 0.00 0.00 36.38 35.15 3gvk s VAL 385 CO 0.81 -0.73 0.48 0.21 -0.31 0.00 0.00 175.10 175.56 3gvk s ASN 386 N -3.06 -0.14 0.85 4.85 2.47 -0.40 -3.39 114.94 116.12 3gvk s ASN 386 Ca 0.16 -0.75 -0.12 0.00 0.42 0.00 0.00 52.86 52.58 3gvk s ASN 386 Cb 0.06 0.57 0.10 0.00 -1.45 0.00 0.00 41.25 40.53 3gvk s ASN 386 CO -0.02 -1.09 1.11 -0.31 -3.72 0.00 0.00 177.10 173.07 3gvk s TYR 387 N -3.95 2.65 -0.28 0.43 2.02 -1.26 -1.52 117.35 115.44 3gvk s TYR 387 Ca 0.16 1.05 -0.23 0.00 -0.37 0.00 0.00 57.07 57.68 3gvk s TYR 387 Cb -0.01 -3.22 0.11 0.00 -0.40 0.00 0.00 41.96 38.44 3gvk s TYR 387 CO 0.03 -2.07 0.91 -1.58 -1.57 0.00 0.00 175.55 171.27 3gvk s HIS 388 N -3.17 -0.63 -0.16 2.71 5.65 -0.43 -4.82 115.29 114.44 3gvk s HIS 388 Ca 0.62 1.47 -0.08 0.00 0.25 0.00 0.00 55.06 57.32 3gvk s HIS 388 Cb -0.15 0.36 0.06 0.00 -1.18 0.00 0.00 32.58 31.67 3gvk s HIS 388 CO 0.54 -0.31 0.36 0.00 -0.65 0.00 0.00 174.74 174.69 3gvk n MET 390 N 4.54 1.71 -3.73 0.00 2.81 -1.25 -4.88 117.12 116.32 3gvk n MET 390 Ca -0.20 -1.13 -0.24 0.00 -1.81 0.00 0.00 57.70 54.32 3gvk n MET 390 Cb 0.53 -0.81 -0.17 0.00 -0.71 0.00 0.00 33.22 32.06 3gvk n MET 390 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 3gvk s SER 391 N -0.66 2.04 -0.15 7.83 0.15 -1.26 -1.04 113.70 120.62 3gvk s SER 391 Ca 0.01 -0.36 -0.21 0.00 0.70 0.00 0.00 55.95 56.09 3gvk s SER 391 Cb 0.01 -0.43 0.05 0.00 -1.71 0.00 0.00 66.02 63.94 3gvk s SER 391 CO 0.00 -0.26 0.54 -0.32 1.20 0.00 0.00 173.24 174.40 3gvk s MET 392 N 1.98 0.73 0.01 5.44 1.75 -1.26 -1.56 119.30 126.39 3gvk s MET 392 Ca 0.03 0.52 -0.11 0.00 -1.25 0.00 0.00 55.69 54.87 3gvk s MET 392 Cb -0.14 0.35 0.04 0.00 2.84 0.00 0.00 34.83 37.91 3gvk s MET 392 CO -0.06 -0.14 0.52 0.41 -0.65 0.00 0.00 175.02 175.09 3gvk n GLY 393 N 2.18 0.57 3.16 2.11 0.00 -0.59 -4.54 105.19 108.07 3gvk n GLY 393 Ca -0.16 -0.94 -0.30 0.00 0.00 0.00 0.00 46.02 44.62 3gvk n GLY 393 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gvk s VAL 394 N -2.15 1.79 -0.08 1.61 1.01 -1.26 -0.74 120.40 120.59 3gvk s VAL 394 Ca 0.12 -0.86 -0.01 0.00 0.00 0.00 0.00 61.98 61.23 3gvk s VAL 394 Cb -0.00 -1.57 0.03 0.00 0.00 0.00 0.00 36.38 34.83 3gvk s VAL 394 CO 0.00 0.50 -0.01 0.00 0.00 0.00 0.00 175.10 175.59 3gvk n ARG 396 N 5.08 -0.60 -1.47 0.00 0.63 -1.26 -2.32 116.66 116.72 3gvk n ARG 396 Ca -0.08 0.20 -0.16 0.00 -0.92 0.00 0.00 57.85 56.88 3gvk n ARG 396 Cb 0.50 -3.08 -0.07 0.00 0.45 0.00 0.00 32.46 30.27 3gvk n ARG 396 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 3gvk n ASN 397 N -2.34 -5.14 -4.20 6.15 4.13 -1.26 -4.23 115.26 108.37 3gvk n ASN 397 Ca -0.11 0.40 -0.27 0.00 1.68 0.00 0.00 54.58 56.28 3gvk n ASN 397 Cb 0.57 -4.06 -0.16 0.00 -1.54 0.00 0.00 39.78 34.59 3gvk n ASN 397 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 3gvk s ARG 398 N -3.34 1.86 0.06 3.52 0.52 -0.98 -0.94 118.95 119.65 3gvk s ARG 398 Ca 0.00 -0.72 -0.31 0.00 -0.52 0.00 0.00 55.73 54.19 3gvk s ARG 398 Cb 0.00 -1.68 -0.05 0.00 0.52 0.00 0.00 34.95 33.73 3gvk s ARG 398 CO 0.00 0.36 1.19 -1.17 0.02 0.00 0.00 175.30 175.69 3gvk s LEU 399 N -0.23 4.37 -0.05 2.53 2.96 0.11 -1.54 118.68 126.83 3gvk s LEU 399 Ca 0.02 1.99 0.05 0.00 -0.22 0.00 0.00 54.13 55.97 3gvk s LEU 399 Cb -0.10 -3.58 -0.02 0.00 0.50 0.00 0.00 46.19 42.99 3gvk s LEU 399 CO 0.01 -0.46 -0.20 -0.36 -1.32 0.00 0.00 176.35 174.02 3gvk s PHE 400 N 1.07 2.54 -0.06 5.38 0.08 0.08 -1.57 117.98 125.50 3gvk s PHE 400 Ca 0.58 -0.37 -0.06 0.00 0.12 0.00 0.00 56.93 57.20 3gvk s PHE 400 Cb -0.29 -1.59 0.02 0.00 -0.57 0.00 0.00 43.02 40.58 3gvk s PHE 400 CO 0.29 0.02 0.17 0.00 -0.10 0.00 0.00 175.22 175.60 3gvk s ALA 401 N -0.53 -0.42 -0.63 5.36 0.00 0.08 -1.55 121.76 124.07 3gvk s ALA 401 Ca 0.07 0.43 -0.22 0.00 0.00 0.00 0.00 51.96 52.24 3gvk s ALA 401 Cb -0.11 -0.24 0.07 0.00 0.00 0.00 0.00 23.12 22.83 3gvk s ALA 401 CO 0.01 -0.09 0.91 1.41 0.00 0.00 0.00 175.76 178.00 3gvk s MET 402 N -0.05 3.13 -0.45 0.00 1.75 -0.60 -0.94 119.30 122.13 3gvk s MET 402 Ca -0.01 -0.83 -0.20 0.00 -1.25 0.00 0.00 55.69 53.39 3gvk s MET 402 Cb -0.02 -4.21 0.03 0.00 2.84 0.00 0.00 34.83 33.47 3gvk s MET 402 CO 0.00 -1.72 0.64 0.42 -0.65 0.00 0.00 175.02 173.71 3gvk s ILE 403 N 3.82 4.83 0.13 10.11 -1.09 0.83 -4.46 121.20 135.38 3gvk s ILE 403 Ca 0.21 0.03 -0.10 0.00 -2.23 0.00 0.00 60.65 58.57 3gvk s ILE 403 Cb -0.17 -4.22 -0.06 0.00 -1.58 0.00 0.00 42.46 36.43 3gvk s ILE 403 CO 0.11 -0.62 0.45 -1.61 -1.23 0.00 0.00 174.94 172.03 3gvk s GLU 404 N 2.79 3.78 -0.18 2.79 2.02 0.37 -1.43 118.70 128.84 3gvk s GLU 404 Ca 0.21 0.19 -0.05 0.00 0.02 0.00 0.00 54.97 55.35 3gvk s GLU 404 Cb -0.15 -2.89 -0.03 0.00 0.10 0.00 0.00 34.13 31.16 3gvk s GLU 404 CO 0.18 0.48 -0.00 0.99 0.02 0.00 0.00 175.26 176.93 3gvk s THR 405 N -1.53 4.06 0.06 3.63 2.01 0.16 -1.31 115.64 122.71 3gvk s THR 405 Ca 0.38 -0.29 0.04 0.00 0.31 0.00 0.00 61.69 62.13 3gvk s THR 405 Cb -0.13 -2.82 -0.03 0.00 0.01 0.00 0.00 72.50 69.53 3gvk s THR 405 CO 0.20 0.45 -0.11 -0.13 -0.69 0.00 0.00 174.62 174.35 3gvk s ARG 406 N 0.70 0.68 0.38 4.92 0.52 -0.57 -0.37 118.95 125.21 3gvk s ARG 406 Ca -0.00 -0.88 -0.25 0.00 -0.52 0.00 0.00 55.73 54.07 3gvk s ARG 406 Cb -0.14 -0.53 -0.09 0.00 0.52 0.00 0.00 34.95 34.71 3gvk s ARG 406 CO 0.02 0.11 1.10 0.95 0.02 0.00 0.00 175.30 177.49 3gvk s THR 407 N -1.47 3.49 0.22 0.02 -4.23 -0.27 -1.28 115.64 112.12 3gvk s THR 407 Ca -0.05 1.22 -0.03 0.00 -1.18 0.00 0.00 61.69 61.65 3gvk s THR 407 Cb -0.09 -3.67 0.04 0.00 1.34 0.00 0.00 72.50 70.11 3gvk s THR 407 CO 0.01 0.09 1.64 -0.07 -0.54 0.00 0.00 174.62 175.74 3gvk h LEU 408 N 2.71 0.73 -0.54 4.79 4.07 -1.68 -1.27 115.31 124.12 3gvk h LEU 408 Ca -0.48 -0.27 -0.11 0.00 0.08 0.00 0.00 57.88 57.10 3gvk h LEU 408 Cb 1.22 -0.20 -0.02 0.00 1.08 0.00 0.00 40.66 42.74 3gvk h LEU 408 CO 0.63 0.95 -0.08 0.00 -1.08 0.00 0.00 178.44 178.86 3gvk h ALA 409 N 1.10 0.74 0.00 1.53 0.00 -1.89 -3.37 119.26 117.37 3gvk h ALA 409 Ca 0.08 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3gvk h ALA 409 Cb 0.74 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.34 3gvk h ALA 409 CO 0.06 0.63 0.00 1.63 0.00 0.00 0.00 179.25 181.57 3gvk n LYS 410 N -4.18 0.14 -2.35 0.00 4.01 -1.25 -5.01 118.16 109.52 3gvk n LYS 410 Ca 0.01 -0.22 -0.19 0.00 -0.51 0.00 0.00 58.31 57.40 3gvk n LYS 410 Cb 0.38 -0.68 -0.01 0.00 -0.51 0.00 0.00 35.03 34.21 3gvk n LYS 410 CO 0.00 0.00 0.00 -1.71 -1.11 0.00 0.00 177.40 174.58 3gvk n ASN 411 N -0.08 -5.53 -4.73 4.39 5.15 -0.48 -4.97 115.26 109.02 3gvk n ASN 411 Ca 0.00 0.05 -0.41 0.00 -0.60 0.00 0.00 54.58 53.63 3gvk n ASN 411 Cb 0.10 -4.63 -0.04 0.00 -0.53 0.00 0.00 39.78 34.68 3gvk n ASN 411 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3gvk s ALA 412 N -2.94 3.28 0.08 5.20 0.00 -1.26 -4.71 121.76 121.41 3gvk s ALA 412 Ca 0.00 0.47 -0.31 0.00 0.00 0.00 0.00 51.96 52.12 3gvk s ALA 412 Cb 0.00 -3.19 -0.07 0.00 0.00 0.00 0.00 23.12 19.87 3gvk s ALA 412 CO 0.00 -0.02 1.29 -1.17 0.00 0.00 0.00 175.76 175.85 3gvk s LEU 413 N 0.11 4.37 -0.01 0.00 2.96 -1.26 -1.12 118.68 123.73 3gvk s LEU 413 Ca 0.45 2.15 0.03 0.00 -0.22 0.00 0.00 54.13 56.54 3gvk s LEU 413 Cb -0.22 -3.58 -0.04 0.00 0.50 0.00 0.00 46.19 42.85 3gvk s LEU 413 CO 0.27 -0.56 0.04 0.35 -1.32 0.00 0.00 176.35 175.14 3gvk n THR 414 N 3.95 0.08 -3.64 3.68 -2.24 0.50 -4.97 114.28 111.65 3gvk n THR 414 Ca 0.10 -0.09 -0.15 0.00 -2.27 0.00 0.00 64.05 61.64 3gvk n THR 414 Cb 0.45 -0.11 -0.08 0.00 -2.10 0.00 0.00 70.33 68.49 3gvk n THR 414 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3gvk s ASN 415 N -2.75 -0.62 -0.09 3.42 2.47 -1.13 -4.21 114.94 112.02 3gvk s ASN 415 Ca -0.01 1.06 0.04 0.00 0.42 0.00 0.00 52.86 54.37 3gvk s ASN 415 Cb 0.02 1.05 -0.01 0.00 -1.45 0.00 0.00 41.25 40.86 3gvk s ASN 415 CO 0.12 -0.32 -0.22 0.00 -3.72 0.00 0.00 177.10 172.96 3gvk s ALA 417 N 0.19 0.55 -0.36 0.00 0.00 -0.51 -0.80 121.76 120.81 3gvk s ALA 417 Ca -0.13 -0.14 -0.23 0.00 0.00 0.00 0.00 51.96 51.46 3gvk s ALA 417 Cb -0.16 -0.25 0.01 0.00 0.00 0.00 0.00 23.12 22.71 3gvk s ALA 417 CO 0.07 0.06 0.79 -1.17 0.00 0.00 0.00 175.76 175.50 3gvk s LEU 418 N 0.36 4.13 -0.15 0.00 2.96 0.15 -0.12 118.68 126.01 3gvk s LEU 418 Ca -0.04 0.36 -0.05 0.00 -0.22 0.00 0.00 54.13 54.17 3gvk s LEU 418 Cb -0.08 -3.03 -0.04 0.00 0.50 0.00 0.00 46.19 43.54 3gvk s LEU 418 CO -0.00 -0.73 0.03 0.26 -1.32 0.00 0.00 176.35 174.59 3gvk s TRP 419 N 3.11 3.21 0.05 5.38 0.52 -0.12 -0.45 118.94 130.64 3gvk s TRP 419 Ca 0.31 0.06 0.00 0.00 0.02 0.00 0.00 56.10 56.49 3gvk s TRP 419 Cb -0.13 -1.98 -0.03 0.00 -1.15 0.00 0.00 33.47 30.18 3gvk s TRP 419 CO 0.17 0.23 -0.04 0.16 0.02 0.00 0.00 176.95 177.49 3gvk s ASP 420 N -0.02 0.57 -0.27 2.95 1.47 -0.09 -0.74 116.67 120.55 3gvk s ASP 420 Ca 0.05 -0.79 -0.24 0.00 1.18 0.00 0.00 52.55 52.75 3gvk s ASP 420 Cb -0.12 0.13 0.07 0.00 -0.34 0.00 0.00 42.92 42.66 3gvk s ASP 420 CO 0.01 -0.43 0.70 -0.60 0.68 0.00 0.00 175.17 175.53 3gvk s ARG 421 N -2.85 0.81 0.42 2.11 3.52 -0.61 -0.18 118.95 122.17 3gvk s ARG 421 Ca -0.01 1.00 -0.25 0.00 -0.13 0.00 0.00 55.73 56.34 3gvk s ARG 421 Cb -0.00 0.38 -0.08 0.00 -1.56 0.00 0.00 34.95 33.68 3gvk s ARG 421 CO -0.05 -0.10 1.19 -1.25 -0.81 0.00 0.00 175.30 174.28 3gvk s PRO 422 N 0.49 3.94 0.32 5.12 0.04 -1.26 0.09 135.00 143.73 3gvk s PRO 422 Ca -0.01 1.88 -0.18 0.00 0.04 0.00 0.00 61.00 62.73 3gvk s PRO 422 Cb -0.05 -2.60 -0.09 0.00 0.04 0.00 0.00 34.50 31.80 3gvk s PRO 422 CO -0.01 -0.43 0.78 -1.64 0.04 0.00 0.00 177.00 175.74 3gvk s MET 423 N -2.41 4.13 0.08 4.56 -1.94 -0.11 -3.47 119.30 120.13 3gvk s MET 423 Ca 0.59 0.83 -0.31 0.00 -1.71 0.00 0.00 55.69 55.09 3gvk s MET 423 Cb -0.31 -2.51 -0.07 0.00 2.01 0.00 0.00 34.83 33.95 3gvk s MET 423 CO 0.39 0.19 1.31 -1.12 -0.01 0.00 0.00 175.02 175.77 3gvk s SER 424 N -2.08 6.94 0.02 3.03 0.01 -1.26 -4.49 113.70 115.87 3gvk s SER 424 Ca 0.53 2.16 -0.03 0.00 1.31 0.00 0.00 55.95 59.92 3gvk s SER 424 Cb -0.12 -2.58 -0.02 0.00 0.21 0.00 0.00 66.02 63.52 3gvk s SER 424 CO 0.18 -0.58 0.04 -0.13 0.41 0.00 0.00 173.24 173.15 3gvk s ARG 425 N 1.25 0.44 -0.20 12.44 0.52 -1.23 -4.96 118.95 127.21 3gvk s ARG 425 Ca 0.62 -0.65 -0.02 0.00 -0.52 0.00 0.00 55.73 55.16 3gvk s ARG 425 Cb -0.33 0.17 0.00 0.00 0.52 0.00 0.00 34.95 35.31 3gvk s ARG 425 CO 0.29 -0.09 -0.11 -1.12 0.02 0.00 0.00 175.30 174.29 3gvk s SER 426 N -1.72 3.81 -0.16 0.23 0.01 -1.26 -2.34 113.70 112.26 3gvk s SER 426 Ca -0.11 -0.49 -0.01 0.00 1.31 0.00 0.00 55.95 56.65 3gvk s SER 426 Cb -0.06 -1.62 -0.01 0.00 0.21 0.00 0.00 66.02 64.54 3gvk s SER 426 CO -0.02 0.01 -0.11 -0.76 0.41 0.00 0.00 173.24 172.76 3gvk s LEU 427 N 1.29 2.69 -0.44 2.44 1.43 1.45 -4.89 118.68 122.65 3gvk s LEU 427 Ca 0.04 -0.39 -0.07 0.00 -1.03 0.00 0.00 54.13 52.68 3gvk s LEU 427 Cb -0.14 -1.63 0.11 0.00 0.03 0.00 0.00 46.19 44.56 3gvk s LEU 427 CO -0.06 0.09 0.28 -2.28 0.23 0.00 0.00 176.35 174.61 3gvk s HIS 428 N 0.80 3.45 0.51 0.29 2.46 -1.26 -1.31 115.29 120.23 3gvk s HIS 428 Ca -0.04 -1.96 0.01 0.00 0.47 0.00 0.00 55.06 53.54 3gvk s HIS 428 Cb -0.15 -3.29 -0.01 0.00 -0.13 0.00 0.00 32.58 28.99 3gvk s HIS 428 CO 0.01 -0.96 0.00 -0.51 -2.47 0.00 0.00 174.74 170.81 3gvk s LEU 429 N 1.31 2.30 -0.15 8.88 1.43 -0.69 -4.97 118.68 126.79 3gvk s LEU 429 Ca 0.06 -1.65 -0.04 0.00 -1.03 0.00 0.00 54.13 51.47 3gvk s LEU 429 Cb -0.25 -0.73 0.05 0.00 0.03 0.00 0.00 46.19 45.30 3gvk s LEU 429 CO -0.01 -0.85 0.07 -0.89 0.23 0.00 0.00 176.35 174.90 3gvk s THR 430 N -2.88 0.02 0.05 5.49 2.01 -1.26 -1.61 115.64 117.46 3gvk s THR 430 Ca 0.06 -0.11 0.00 0.00 0.31 0.00 0.00 61.69 61.95 3gvk s THR 430 Cb 0.02 -0.57 0.00 0.00 0.01 0.00 0.00 72.50 71.96 3gvk s THR 430 CO 0.03 -0.17 0.00 0.61 -0.69 0.00 0.00 174.62 174.41 3gvk n GLY 431 N 5.24 -1.85 0.00 4.40 0.00 -0.81 -4.68 105.19 107.49 3gvk n GLY 431 Ca -0.07 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.63 3gvk n GLY 431 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gvk n GLY 432 N -0.87 1.50 3.54 -0.02 0.00 -1.26 -4.89 105.19 103.20 3gvk n GLY 432 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 3gvk n GLY 432 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gvk s ILE 433 N -2.26 5.10 -0.03 -0.61 1.01 -1.26 -1.43 121.20 121.71 3gvk s ILE 433 Ca 0.00 -0.01 0.04 0.00 0.00 0.00 0.00 60.65 60.68 3gvk s ILE 433 Cb 0.00 -3.47 -0.00 0.00 0.01 0.00 0.00 42.46 38.99 3gvk s ILE 433 CO 0.00 0.20 -0.15 0.42 0.00 0.00 0.00 174.94 175.41 3gvk s THR 434 N 1.72 1.21 -0.16 2.92 -4.23 -0.84 -2.52 115.64 113.73 3gvk s THR 434 Ca 0.07 -0.61 -0.02 0.00 -1.18 0.00 0.00 61.69 59.95 3gvk s THR 434 Cb -0.16 -1.04 0.05 0.00 1.34 0.00 0.00 72.50 72.69 3gvk s THR 434 CO 0.09 0.35 -0.01 -0.75 -0.54 0.00 0.00 174.62 173.77 3gvk s LYS 435 N -0.01 0.97 0.53 3.99 2.20 -0.27 -1.29 119.74 125.86 3gvk s LYS 435 Ca -0.01 -0.37 -0.20 0.00 -0.36 0.00 0.00 55.97 55.03 3gvk s LYS 435 Cb -0.09 -1.86 -0.06 0.00 -1.51 0.00 0.00 37.83 34.31 3gvk s LYS 435 CO 0.01 -0.49 1.15 0.00 -0.36 0.00 0.00 175.35 175.66 3gvk s ALA 436 N 1.78 2.73 0.61 3.13 0.00 -1.26 -0.70 121.76 128.05 3gvk s ALA 436 Ca 0.01 0.89 -0.17 0.00 0.00 0.00 0.00 51.96 52.69 3gvk s ALA 436 Cb -0.15 -3.38 -0.03 0.00 0.00 0.00 0.00 23.12 19.56 3gvk s ALA 436 CO -0.07 -0.82 1.11 0.00 0.00 0.00 0.00 175.76 175.98 3gvk s ALA 437 N -1.69 2.59 0.00 0.00 0.00 -1.26 -3.73 121.76 117.66 3gvk s ALA 437 Ca 0.72 0.62 0.00 0.00 0.00 0.00 0.00 51.96 53.30 3gvk s ALA 437 Cb -0.26 -3.32 0.00 0.00 0.00 0.00 0.00 23.12 19.54 3gvk s ALA 437 CO 0.30 -1.03 0.00 0.09 0.00 0.00 0.00 175.76 175.12 3gvk n ASN 438 N -1.96 -4.11 -4.17 0.00 3.02 -0.06 -4.96 115.26 103.02 3gvk n ASN 438 Ca 0.11 0.00 -0.10 0.00 -0.03 0.00 0.00 54.58 54.55 3gvk n ASN 438 Cb 0.52 -2.14 -0.10 0.00 -0.61 0.00 0.00 39.78 37.45 3gvk n ASN 438 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3gvk s GLN 439 N -1.08 0.94 -0.15 3.52 1.03 -1.24 -4.98 119.66 117.69 3gvk s GLN 439 Ca 0.00 -1.44 0.17 0.00 0.04 0.00 0.00 55.36 54.13 3gvk s GLN 439 Cb 0.00 0.10 -0.25 0.00 0.03 0.00 0.00 33.01 32.89 3gvk s GLN 439 CO 0.00 -0.21 0.15 0.54 -2.54 0.00 0.00 175.29 173.23 3gvk n ARG 440 N -0.11 0.89 -2.01 9.60 1.74 -1.26 -4.53 116.66 120.97 3gvk n ARG 440 Ca -0.07 -0.05 -0.42 0.00 -0.77 0.00 0.00 57.85 56.55 3gvk n ARG 440 Cb 0.63 -1.47 -0.03 0.00 -1.02 0.00 0.00 32.46 30.57 3gvk n ARG 440 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3gvk s TYR 441 N -2.66 3.12 -0.05 -1.55 2.02 -1.26 -2.62 117.35 114.35 3gvk s TYR 441 Ca -0.09 0.75 0.05 0.00 -0.37 0.00 0.00 57.07 57.40 3gvk s TYR 441 Cb 0.07 -3.84 -0.02 0.00 -0.40 0.00 0.00 41.96 37.77 3gvk s TYR 441 CO 0.77 -3.06 -0.19 0.00 -1.57 0.00 0.00 175.55 171.51 3gvk s ALA 442 N 1.10 2.44 -0.16 3.71 0.00 0.17 -4.45 121.76 124.57 3gvk s ALA 442 Ca 0.68 -1.01 -0.18 0.00 0.00 0.00 0.00 51.96 51.45 3gvk s ALA 442 Cb -0.41 -0.84 -0.04 0.00 0.00 0.00 0.00 23.12 21.82 3gvk s ALA 442 CO 0.31 0.48 0.48 0.99 0.00 0.00 0.00 175.76 178.02 3gvk s THR 443 N -0.46 5.16 -0.16 0.00 2.01 -0.41 -0.72 115.64 121.07 3gvk s THR 443 Ca 0.05 0.91 -0.02 0.00 0.31 0.00 0.00 61.69 62.94 3gvk s THR 443 Cb -0.12 -3.81 -0.02 0.00 0.01 0.00 0.00 72.50 68.56 3gvk s THR 443 CO 0.01 0.26 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.50 3gvk s ILE 444 N 1.09 3.48 -0.47 1.82 -1.09 0.29 -1.99 121.20 124.32 3gvk s ILE 444 Ca 0.24 -0.50 -0.12 0.00 -2.23 0.00 0.00 60.65 58.05 3gvk s ILE 444 Cb -0.15 -2.51 0.10 0.00 -1.58 0.00 0.00 42.46 38.32 3gvk s ILE 444 CO 0.10 0.49 0.37 -2.28 -1.23 0.00 0.00 174.94 172.39 3gvk s HIS 445 N 0.56 3.33 -0.19 3.97 5.65 -0.51 -1.27 115.29 126.82 3gvk s HIS 445 Ca -0.05 -1.50 -0.01 0.00 0.25 0.00 0.00 55.06 53.75 3gvk s HIS 445 Cb -0.15 -3.38 0.05 0.00 -1.18 0.00 0.00 32.58 27.92 3gvk s HIS 445 CO 0.03 -0.93 -0.03 0.08 -0.65 0.00 0.00 174.74 173.24 3gvk s VAL 446 N 1.48 1.06 0.23 0.89 1.01 -0.50 -4.80 120.40 119.76 3gvk s VAL 446 Ca 0.04 -0.78 -0.31 0.00 0.00 0.00 0.00 61.98 60.93 3gvk s VAL 446 Cb -0.26 -1.36 -0.11 0.00 0.00 0.00 0.00 36.38 34.65 3gvk s VAL 446 CO 0.02 -0.04 1.59 -2.84 0.00 0.00 0.00 175.10 173.82 3gvk s PRO 447 N 1.63 4.18 -1.44 2.72 0.02 -1.26 -2.91 135.00 137.94 3gvk s PRO 447 Ca -0.02 2.47 -0.02 0.00 0.02 0.00 0.00 61.00 63.45 3gvk s PRO 447 Cb -0.17 -3.09 0.02 0.00 0.02 0.00 0.00 34.50 31.28 3gvk s PRO 447 CO -0.07 -0.61 0.46 -0.25 -0.33 0.00 0.00 177.00 176.20 3gvk n ASP 448 N 3.08 -0.70 0.00 2.53 8.00 -1.09 -4.87 116.55 123.50 3gvk n ASP 448 Ca 0.11 -1.01 -0.01 0.00 0.71 0.00 0.00 54.79 54.59 3gvk n ASP 448 Cb 0.38 -3.02 0.26 0.00 -0.02 0.00 0.00 41.12 38.72 3gvk n ASP 448 CO 0.00 0.00 0.00 1.12 -0.39 0.00 0.00 177.20 177.93 3gvk h HIS 449 N -1.81 0.55 -0.56 1.24 2.07 -1.42 -3.44 115.15 111.78 3gvk h HIS 449 Ca -0.63 -0.07 -0.24 0.00 -2.85 0.00 0.00 60.37 56.58 3gvk h HIS 449 Cb 1.38 -0.15 -0.09 0.00 2.57 0.00 0.00 27.41 31.11 3gvk h HIS 449 CO 0.51 0.59 -0.22 0.41 -3.07 0.00 0.00 177.93 176.15 3gvk n GLY 450 N -0.72 1.25 3.89 6.13 0.00 -1.26 -4.83 105.19 109.65 3gvk n GLY 450 Ca 0.01 -0.32 -0.31 0.00 0.00 0.00 0.00 46.02 45.40 3gvk n GLY 450 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gvk s LEU 451 N -2.66 4.18 0.41 0.99 1.43 -1.26 -4.80 118.68 116.97 3gvk s LEU 451 Ca 0.00 0.72 0.07 0.00 -1.03 0.00 0.00 54.13 53.90 3gvk s LEU 451 Cb 0.00 -3.48 -0.06 0.00 0.03 0.00 0.00 46.19 42.68 3gvk s LEU 451 CO 0.00 -0.05 0.12 -0.36 0.23 0.00 0.00 176.35 176.29 3gvk s PHE 452 N -1.82 2.58 0.14 0.29 0.08 -1.26 -4.98 117.98 113.00 3gvk s PHE 452 Ca 0.44 -0.60 -0.34 0.00 0.12 0.00 0.00 56.93 56.55 3gvk s PHE 452 Cb -0.11 -1.87 -0.14 0.00 -0.57 0.00 0.00 43.02 40.33 3gvk s PHE 452 CO 0.25 0.28 1.60 0.28 -0.10 0.00 0.00 175.22 177.53 3gvk n VAL 453 N -1.14 0.05 0.00 -0.44 0.31 -1.26 -2.08 118.33 113.77 3gvk n VAL 453 Ca -0.02 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 3gvk n VAL 453 Cb 0.65 -1.54 0.00 0.00 -0.91 0.00 0.00 33.84 32.04 3gvk n VAL 453 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3gvk n GLY 454 N 3.47 1.21 3.78 2.92 0.00 0.18 -4.96 105.19 111.79 3gvk n GLY 454 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 3gvk n GLY 454 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3gvk s ASP 455 N -1.99 6.05 0.24 1.61 1.01 -0.88 -4.65 116.67 118.06 3gvk s ASP 455 Ca 0.00 2.12 -0.30 0.00 0.71 0.00 0.00 52.55 55.08 3gvk s ASP 455 Cb 0.00 -2.58 -0.09 0.00 1.01 0.00 0.00 42.92 41.26 3gvk s ASP 455 CO 0.00 -0.99 1.28 0.12 0.21 0.00 0.00 175.17 175.79 3gvk s PHE 456 N -1.78 3.26 -0.04 4.23 5.36 -1.26 -1.57 117.98 126.18 3gvk s PHE 456 Ca 0.68 1.33 -0.02 0.00 -0.96 0.00 0.00 56.93 57.97 3gvk s PHE 456 Cb -0.22 -3.57 0.03 0.00 -0.34 0.00 0.00 43.02 38.91 3gvk s PHE 456 CO 0.26 -1.68 0.09 0.14 -1.46 0.00 0.00 175.22 172.58 3gvk s VAL 457 N -0.33 -0.04 -0.08 3.12 -7.23 -0.27 -4.13 120.40 111.43 3gvk s VAL 457 Ca 0.53 0.16 0.02 0.00 -1.81 0.00 0.00 61.98 60.89 3gvk s VAL 457 Cb -0.36 -0.17 -0.02 0.00 0.56 0.00 0.00 36.38 36.39 3gvk s VAL 457 CO 0.42 0.07 -0.14 0.21 -0.31 0.00 0.00 175.10 175.34 3gvk s ASN 458 N 0.96 3.98 -0.04 4.85 2.47 0.27 0.85 114.94 128.28 3gvk s ASN 458 Ca -0.08 -0.26 0.06 0.00 0.42 0.00 0.00 52.86 53.00 3gvk s ASN 458 Cb -0.10 -1.16 -0.01 0.00 -1.45 0.00 0.00 41.25 38.53 3gvk s ASN 458 CO -0.04 0.27 -0.22 -0.36 -3.72 0.00 0.00 177.10 173.03 3gvk s PHE 459 N -0.27 2.11 -0.01 0.43 0.08 -0.51 -3.96 117.98 115.85 3gvk s PHE 459 Ca 0.02 -0.53 0.00 0.00 0.12 0.00 0.00 56.93 56.54 3gvk s PHE 459 Cb -0.13 -1.38 0.01 0.00 -0.57 0.00 0.00 43.02 40.95 3gvk s PHE 459 CO 0.03 -0.13 0.00 0.45 -0.10 0.00 0.00 175.22 175.47 3gvk s SER 460 N -0.27 0.11 -1.46 1.36 0.15 -0.85 -0.87 113.70 111.86 3gvk s SER 460 Ca 0.02 0.00 -0.09 0.00 0.70 0.00 0.00 55.95 56.58 3gvk s SER 460 Cb -0.11 -0.04 0.04 0.00 -1.71 0.00 0.00 66.02 64.19 3gvk s SER 460 CO 0.01 -0.04 0.83 0.59 1.20 0.00 0.00 173.24 175.84 3gvk n ASN 461 N 3.46 -5.52 0.24 5.45 3.02 -1.26 -0.95 115.26 119.70 3gvk n ASN 461 Ca -0.18 -0.49 0.12 0.00 -0.03 0.00 0.00 54.58 54.00 3gvk n ASN 461 Cb 0.56 -4.42 0.57 0.00 -0.61 0.00 0.00 39.78 35.88 3gvk n ASN 461 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 3gvk h SER 462 N -1.84 0.00 0.00 6.41 4.64 -1.86 -3.38 113.55 117.52 3gvk h SER 462 Ca -0.54 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.78 3gvk h SER 462 Cb 1.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.45 3gvk h SER 462 CO 0.59 0.16 0.00 0.00 -0.87 0.00 0.00 176.83 176.71 3gvk n ALA 463 N -2.22 0.00 -3.93 5.18 0.00 -1.26 -4.77 120.51 113.51 3gvk n ALA 463 Ca -0.00 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.11 3gvk n ALA 463 Cb 0.36 -1.06 -0.15 0.00 0.00 0.00 0.00 19.45 18.60 3gvk n ALA 463 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3gvk s VAL 464 N -1.33 2.45 0.13 0.00 1.01 -1.26 -4.85 120.40 116.56 3gvk s VAL 464 Ca 0.00 -1.65 -0.35 0.00 0.00 0.00 0.00 61.98 59.98 3gvk s VAL 464 Cb 0.00 -2.48 -0.16 0.00 0.00 0.00 0.00 36.38 33.75 3gvk s VAL 464 CO 0.00 -0.13 1.39 0.41 0.00 0.00 0.00 175.10 176.77 3gvk n THR 465 N 4.47 0.19 0.00 3.92 -1.04 -1.26 -1.86 114.28 118.71 3gvk n THR 465 Ca -0.12 -0.05 0.00 0.00 -2.04 0.00 0.00 64.05 61.85 3gvk n THR 465 Cb 0.42 -1.08 0.00 0.00 -1.82 0.00 0.00 70.33 67.86 3gvk n THR 465 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3gvk n GLY 466 N 2.68 2.94 3.53 3.41 0.00 -1.26 -4.95 105.19 111.54 3gvk n GLY 466 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 3gvk n GLY 466 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gvk s VAL 467 N -2.61 4.21 -0.21 1.61 1.01 -0.78 -4.51 120.40 119.12 3gvk s VAL 467 Ca 0.00 -1.28 -0.18 0.00 0.00 0.00 0.00 61.98 60.52 3gvk s VAL 467 Cb 0.00 -5.01 0.06 0.00 0.00 0.00 0.00 36.38 31.42 3gvk s VAL 467 CO 0.00 -1.84 0.56 -0.55 0.00 0.00 0.00 175.10 173.27 3gvk s SER 468 N 4.40 -0.61 0.57 3.32 0.15 -1.26 -4.51 113.70 115.75 3gvk s SER 468 Ca 0.44 1.14 0.00 0.00 0.70 0.00 0.00 55.95 58.23 3gvk s SER 468 Cb -0.01 1.13 0.00 0.00 -1.71 0.00 0.00 66.02 65.43 3gvk s SER 468 CO -0.06 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 174.79 3gvk n GLY 469 N 3.05 0.03 3.65 9.45 0.00 -0.05 -4.69 105.19 116.62 3gvk n GLY 469 Ca -0.15 -0.98 -0.43 0.00 0.00 0.00 0.00 46.02 44.46 3gvk n GLY 469 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3gvk s ASP 470 N -4.00 6.59 0.41 1.61 1.01 -1.26 -1.43 116.67 119.60 3gvk s ASP 470 Ca 0.00 1.95 0.05 0.00 0.71 0.00 0.00 52.55 55.26 3gvk s ASP 470 Cb 0.00 -2.53 -0.02 0.00 1.01 0.00 0.00 42.92 41.38 3gvk s ASP 470 CO 0.00 -1.03 0.17 -0.04 0.21 0.00 0.00 175.17 174.48 3gvk s MET 471 N 4.21 1.96 0.11 8.23 -1.94 0.25 -5.00 119.30 127.13 3gvk s MET 471 Ca 0.71 -2.20 0.05 0.00 -1.71 0.00 0.00 55.69 52.54 3gvk s MET 471 Cb -0.29 -0.39 -0.04 0.00 2.01 0.00 0.00 34.83 36.13 3gvk s MET 471 CO 0.27 -0.56 -0.12 0.95 -0.01 0.00 0.00 175.02 175.55 3gvk s THR 472 N -3.22 1.14 -0.03 2.05 -4.23 -1.26 -1.12 115.64 108.98 3gvk s THR 472 Ca 0.25 -1.71 -0.30 0.00 -1.18 0.00 0.00 61.69 58.75 3gvk s THR 472 Cb 0.01 -1.48 -0.05 0.00 1.34 0.00 0.00 72.50 72.33 3gvk s THR 472 CO 0.18 -0.51 1.45 -0.69 -0.54 0.00 0.00 174.62 174.50 3gvk s VAL 473 N -2.37 3.72 -0.15 2.29 1.01 -0.61 -4.53 120.40 119.75 3gvk s VAL 473 Ca 0.08 1.04 -0.21 0.00 0.00 0.00 0.00 61.98 62.89 3gvk s VAL 473 Cb -0.03 -3.67 -0.24 0.00 0.00 0.00 0.00 36.38 32.44 3gvk s VAL 473 CO 0.01 -0.03 0.48 0.00 0.00 0.00 0.00 175.10 175.56 3gvk h ALA 474 N 8.21 0.17 -2.50 5.51 0.00 -1.06 0.53 119.26 130.12 3gvk h ALA 474 Ca -0.37 -1.00 -0.11 0.00 0.00 0.00 0.00 54.91 53.43 3gvk h ALA 474 Cb 1.17 0.47 -0.16 0.00 0.00 0.00 0.00 17.79 19.27 3gvk h ALA 474 CO 0.92 0.60 -0.49 -0.08 0.00 0.00 0.00 179.25 180.20 3gvk s THR 475 N -2.38 0.15 -0.25 0.00 -1.32 -1.16 -4.80 115.64 105.88 3gvk s THR 475 Ca -0.23 -1.23 -0.02 0.00 -1.21 0.00 0.00 61.69 59.00 3gvk s THR 475 Cb 0.03 -1.14 0.02 0.00 -1.51 0.00 0.00 72.50 69.90 3gvk s THR 475 CO 0.69 -0.68 -0.05 -0.69 -2.21 0.00 0.00 174.62 171.68 3gvk s VAL 476 N -3.21 3.03 -0.07 5.08 1.01 -1.26 -1.16 120.40 123.81 3gvk s VAL 476 Ca 0.00 -0.91 -0.20 0.00 0.00 0.00 0.00 61.98 60.86 3gvk s VAL 476 Cb 0.02 -2.51 -0.16 0.00 0.00 0.00 0.00 36.38 33.73 3gvk s VAL 476 CO -0.07 0.23 0.76 0.40 0.00 0.00 0.00 175.10 176.42 3gvk h ILE 477 N 6.04 0.97 -1.32 2.22 2.04 -1.75 -3.49 117.51 122.22 3gvk h ILE 477 Ca -0.34 -1.37 0.00 0.00 1.00 0.00 0.00 64.86 64.15 3gvk h ILE 477 Cb 1.12 1.70 0.00 0.00 -0.74 0.00 0.00 36.82 38.89 3gvk h ILE 477 CO 0.58 0.28 0.00 -0.90 0.00 0.00 0.00 178.15 178.11 3gvk n ASP 478 N -4.84 0.00 0.16 1.72 5.68 -1.09 -5.01 116.55 113.18 3gvk n ASP 478 Ca -0.07 -0.32 0.13 0.00 -0.50 0.00 0.00 54.79 54.03 3gvk n ASP 478 Cb 0.28 0.00 0.53 0.00 -1.14 0.00 0.00 41.12 40.78 3gvk n ASP 478 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 3gvk h LYS 479 N 0.00 0.00 -0.00 0.11 2.10 -1.96 -3.24 116.57 113.57 3gvk h LYS 479 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3gvk h LYS 479 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 3gvk h LYS 479 CO 0.00 0.00 -0.09 -0.25 -2.00 0.00 0.00 179.45 177.11 3gvk n ASP 480 N -2.45 0.56 -3.90 7.07 8.00 -1.26 -2.67 116.55 121.90 3gvk n ASP 480 Ca 0.02 -0.78 -0.13 0.00 0.71 0.00 0.00 54.79 54.61 3gvk n ASP 480 Cb 0.26 0.63 -0.14 0.00 -0.02 0.00 0.00 41.12 41.86 3gvk n ASP 480 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 3gvk s ASN 481 N -0.91 0.19 0.15 -2.24 0.01 -1.23 -1.41 114.94 109.50 3gvk s ASN 481 Ca 0.02 -0.04 -0.06 0.00 -0.71 0.00 0.00 52.86 52.07 3gvk s ASN 481 Cb 0.02 -0.02 -0.02 0.00 0.41 0.00 0.00 41.25 41.65 3gvk s ASN 481 CO 0.09 0.01 0.20 0.72 -1.51 0.00 0.00 177.10 176.61 3gvk s PHE 482 N -0.08 0.55 0.11 2.20 -0.12 -0.40 -1.96 117.98 118.28 3gvk s PHE 482 Ca 0.00 -0.92 0.09 0.00 -0.05 0.00 0.00 56.93 56.06 3gvk s PHE 482 Cb -0.01 -0.20 -0.04 0.00 -0.63 0.00 0.00 43.02 42.14 3gvk s PHE 482 CO -0.00 -0.64 -0.21 0.95 -0.05 0.00 0.00 175.22 175.27 3gvk s THR 483 N -3.99 2.64 0.09 -4.49 -4.23 -0.31 0.11 115.64 105.46 3gvk s THR 483 Ca 0.19 -1.53 0.10 0.00 -1.18 0.00 0.00 61.69 59.26 3gvk s THR 483 Cb 0.05 -2.18 -0.03 0.00 1.34 0.00 0.00 72.50 71.67 3gvk s THR 483 CO 0.00 0.14 -0.25 0.68 -0.54 0.00 0.00 174.62 174.65 3gvk s VAL 484 N -1.08 2.07 -0.37 2.29 -7.23 0.10 -0.37 120.40 115.82 3gvk s VAL 484 Ca 0.16 -1.54 -0.18 0.00 -1.81 0.00 0.00 61.98 58.61 3gvk s VAL 484 Cb -0.10 -1.81 0.00 0.00 0.56 0.00 0.00 36.38 35.02 3gvk s VAL 484 CO 0.08 0.17 0.51 -0.22 -0.31 0.00 0.00 175.10 175.33 3gvk s LEU 485 N -1.66 4.42 0.58 1.32 2.96 -1.26 -0.66 118.68 124.38 3gvk s LEU 485 Ca 0.11 -0.14 -0.07 0.00 -0.22 0.00 0.00 54.13 53.81 3gvk s LEU 485 Cb -0.10 -2.56 -0.01 0.00 0.50 0.00 0.00 46.19 44.02 3gvk s LEU 485 CO 0.04 -0.51 0.91 0.42 -1.32 0.00 0.00 176.35 175.89 3gvk s THR 486 N 2.39 4.19 -1.08 3.68 -4.23 -1.08 -4.99 115.64 114.53 3gvk s THR 486 Ca 0.18 0.27 0.11 0.00 -1.18 0.00 0.00 61.69 61.06 3gvk s THR 486 Cb -0.16 -3.65 0.48 0.00 1.34 0.00 0.00 72.50 70.51 3gvk s THR 486 CO 0.14 -0.72 1.31 -0.81 -0.54 0.00 0.00 174.62 174.00 3gvk n PRO 487 N -2.56 2.94 -3.97 3.99 -0.04 -1.26 -4.81 135.00 129.29 3gvk n PRO 487 Ca 0.04 -1.86 -0.09 0.00 -0.04 0.00 0.00 63.50 61.54 3gvk n PRO 487 Cb 0.56 -1.75 -0.04 0.00 -0.04 0.00 0.00 33.50 32.23 3gvk n PRO 487 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3gvk s ASN 488 N -0.68 0.01 0.05 3.54 2.20 -1.26 -5.12 114.94 113.67 3gvk s ASN 488 Ca 0.33 -0.96 -0.07 0.00 -0.94 0.00 0.00 52.86 51.22 3gvk s ASN 488 Cb 0.22 0.65 -0.01 0.00 -2.00 0.00 0.00 41.25 40.11 3gvk s ASN 488 CO 0.14 -1.25 0.13 0.00 -2.94 0.00 0.00 177.10 173.18 3gvk s GLN 489 N -3.72 0.66 0.21 3.55 -2.07 -1.26 -4.41 119.66 112.61 3gvk s GLN 489 Ca 0.21 -0.77 0.09 0.00 -1.82 0.00 0.00 55.36 53.07 3gvk s GLN 489 Cb -0.02 0.26 -0.05 0.00 -1.09 0.00 0.00 33.01 32.12 3gvk s GLN 489 CO 0.10 -0.18 -0.18 -0.65 -1.32 0.00 0.00 175.29 173.06 3gvk s GLN 490 N -2.85 1.42 0.31 9.60 1.11 -1.26 -4.93 119.66 123.07 3gvk s GLN 490 Ca -0.03 -1.57 0.16 0.00 0.01 0.00 0.00 55.36 53.93 3gvk s GLN 490 Cb 0.00 -1.44 0.35 0.00 -1.01 0.00 0.00 33.01 30.91 3gvk s GLN 490 CO -0.06 0.27 1.57 1.79 0.01 0.00 0.00 175.29 178.88 3gvk h THR 491 N 2.78 0.95 -2.71 -0.19 1.35 -1.97 -0.13 112.91 113.00 3gvk h THR 491 Ca -0.41 -1.98 -0.60 0.00 -0.55 0.00 0.00 66.41 62.87 3gvk h THR 491 Cb 1.22 2.22 -0.12 0.00 -1.73 0.00 0.00 68.15 69.74 3gvk h THR 491 CO 0.56 0.47 -0.70 -0.94 -0.25 0.00 0.00 175.52 174.67 3gvk s SER 492 N -6.47 4.35 0.62 5.36 1.04 -1.26 -4.70 113.70 112.64 3gvk s SER 492 Ca 0.02 -0.61 -0.18 0.00 0.48 0.00 0.00 55.95 55.66 3gvk s SER 492 Cb 0.09 -0.76 -0.02 0.00 0.10 0.00 0.00 66.02 65.43 3gvk s SER 492 CO 0.72 0.07 1.21 -1.81 0.98 0.00 0.00 173.24 174.41 3gvk s ASP 493 N -3.13 4.97 -0.01 7.02 1.01 -1.26 -4.40 116.67 120.87 3gvk s ASP 493 Ca 0.27 2.40 0.06 0.00 0.71 0.00 0.00 52.55 56.00 3gvk s ASP 493 Cb -0.08 -2.60 -0.02 0.00 1.01 0.00 0.00 42.92 41.24 3gvk s ASP 493 CO 0.17 -1.74 -0.21 -0.76 0.21 0.00 0.00 175.17 172.84 3gvk s LEU 494 N -4.29 2.06 -0.28 1.23 1.02 0.12 -4.97 118.68 113.57 3gvk s LEU 494 Ca 0.77 -0.39 -0.11 0.00 0.02 0.00 0.00 54.13 54.42 3gvk s LEU 494 Cb -0.31 -1.05 0.11 0.00 0.02 0.00 0.00 46.19 44.97 3gvk s LEU 494 CO 0.36 0.24 0.62 0.21 0.02 0.00 0.00 176.35 177.80 3gvk s ASN 495 N -0.57 -0.97 -0.23 2.29 2.47 -1.26 -1.11 114.94 115.55 3gvk s ASN 495 Ca 0.08 1.47 0.08 0.00 0.42 0.00 0.00 52.86 54.91 3gvk s ASN 495 Cb -0.08 1.95 0.60 0.00 -1.45 0.00 0.00 41.25 42.27 3gvk s ASN 495 CO -0.00 -0.22 1.53 -0.46 -3.72 0.00 0.00 177.10 174.22 3gvk n ASN 496 N 5.18 4.34 -4.64 -4.21 6.94 -1.05 -4.97 115.26 116.85 3gvk n ASN 496 Ca -0.14 -2.87 -0.50 0.00 -0.02 0.00 0.00 54.58 51.06 3gvk n ASN 496 Cb 0.51 -0.68 -0.05 0.00 -2.36 0.00 0.00 39.78 37.20 3gvk n ASN 496 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3gvk n ALA 497 N 0.12 0.11 -0.71 -2.53 0.00 -1.26 -0.91 120.51 115.32 3gvk n ALA 497 Ca 0.28 0.46 0.00 0.00 0.00 0.00 0.00 53.44 54.19 3gvk n ALA 497 Cb 1.10 -2.23 0.00 0.00 0.00 0.00 0.00 19.45 18.33 3gvk n ALA 497 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gvk n GLY 498 N 3.15 0.84 3.49 0.00 0.00 -1.26 -4.90 105.19 106.52 3gvk n GLY 498 Ca 0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 3gvk n GLY 498 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gvk s LYS 499 N -0.29 2.66 -0.01 1.61 1.02 -0.09 -4.91 119.74 119.73 3gvk s LYS 499 Ca 0.00 -0.65 -0.25 0.00 0.02 0.00 0.00 55.97 55.09 3gvk s LYS 499 Cb 0.00 -2.46 -0.04 0.00 -0.52 0.00 0.00 37.83 34.80 3gvk s LYS 499 CO 0.00 0.59 0.76 -0.80 -0.92 0.00 0.00 175.35 174.98 3gvk s ASN 500 N -0.63 7.13 0.34 2.83 0.01 -1.26 -1.92 114.94 121.43 3gvk s ASN 500 Ca 0.09 1.36 -0.01 0.00 -0.71 0.00 0.00 52.86 53.59 3gvk s ASN 500 Cb -0.11 -2.45 -0.00 0.00 0.41 0.00 0.00 41.25 39.09 3gvk s ASN 500 CO 0.01 -0.07 0.43 -1.66 -1.51 0.00 0.00 177.10 174.31 3gvk s TRP 501 N 0.42 1.18 0.01 2.20 1.48 -0.63 -4.77 118.94 118.82 3gvk s TRP 501 Ca 0.39 -1.35 0.04 0.00 -1.06 0.00 0.00 56.10 54.12 3gvk s TRP 501 Cb -0.19 -0.20 -0.01 0.00 -1.16 0.00 0.00 33.47 31.90 3gvk s TRP 501 CO 0.21 -1.08 -0.11 -1.01 -4.06 0.00 0.00 176.95 170.91 3gvk s HIS 502 N -3.16 0.96 0.03 1.66 3.76 -0.13 -1.70 115.29 116.70 3gvk s HIS 502 Ca 0.32 -0.27 -0.08 0.00 -0.15 0.00 0.00 55.06 54.89 3gvk s HIS 502 Cb 0.00 -0.59 -0.00 0.00 1.11 0.00 0.00 32.58 33.10 3gvk s HIS 502 CO 0.21 -0.01 0.15 1.41 -0.85 0.00 0.00 174.74 175.66 3gvk s MET 503 N -0.70 0.60 0.00 1.40 1.75 -0.43 -2.01 119.30 119.91 3gvk s MET 503 Ca 0.01 -0.59 0.00 0.00 -1.25 0.00 0.00 55.69 53.87 3gvk s MET 503 Cb -0.06 0.24 0.00 0.00 2.84 0.00 0.00 34.83 37.86 3gvk s MET 503 CO 0.00 -0.16 0.00 0.41 -0.65 0.00 0.00 175.02 174.62 3gvk n GLY 504 N 0.95 -0.35 3.78 2.11 0.00 -1.12 0.43 105.19 110.99 3gvk n GLY 504 Ca -0.20 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.59 3gvk n GLY 504 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3gvk s THR 505 N 0.00 4.26 -0.15 2.61 -4.23 -0.99 0.95 115.64 118.10 3gvk s THR 505 Ca 0.00 -1.41 -0.05 0.00 -1.18 0.00 0.00 61.69 59.05 3gvk s THR 505 Cb 0.00 -3.26 0.07 0.00 1.34 0.00 0.00 72.50 70.65 3gvk s THR 505 CO 0.00 -0.29 0.28 -0.55 -0.54 0.00 0.00 174.62 173.53 3gvk s SER 506 N -3.60 0.32 0.07 3.99 0.15 -1.26 -3.47 113.70 109.90 3gvk s SER 506 Ca 0.32 0.59 -0.24 0.00 0.70 0.00 0.00 55.95 57.32 3gvk s SER 506 Cb -0.08 0.78 -0.16 0.00 -1.71 0.00 0.00 66.02 64.85 3gvk s SER 506 CO 0.23 -0.25 1.66 0.15 1.20 0.00 0.00 173.24 176.24 3gvk h PHE 507 N 8.27 -0.05 -0.75 3.44 3.57 -1.80 -2.91 116.94 126.71 3gvk h PHE 507 Ca -0.15 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.30 3gvk h PHE 507 Cb 1.12 0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.84 3gvk h PHE 507 CO 0.34 0.04 0.28 1.25 -2.23 0.00 0.00 178.31 177.99 3gvk h HIS 508 N -0.13 1.16 -0.01 0.41 2.76 -1.95 -3.03 115.15 114.36 3gvk h HIS 508 Ca -0.01 -0.10 0.00 0.00 -2.20 0.00 0.00 60.37 58.07 3gvk h HIS 508 Cb 0.11 -0.35 0.00 0.00 1.55 0.00 0.00 27.41 28.73 3gvk h HIS 508 CO -0.05 0.90 -0.00 1.63 -1.30 0.00 0.00 177.93 179.10 3gvk n LYS 509 N -4.30 1.55 -4.38 5.26 4.76 -1.24 -4.84 118.16 114.97 3gvk n LYS 509 Ca 0.06 -0.81 -0.32 0.00 -2.87 0.00 0.00 58.31 54.37 3gvk n LYS 509 Cb 0.20 -1.48 -0.10 0.00 -1.84 0.00 0.00 35.03 31.80 3gvk n LYS 509 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 3gvk s SER 510 N -2.01 4.76 0.72 4.39 0.01 -1.10 -4.46 113.70 116.02 3gvk s SER 510 Ca 0.39 -0.12 -0.11 0.00 1.31 0.00 0.00 55.95 57.42 3gvk s SER 510 Cb 0.21 -1.14 0.02 0.00 0.21 0.00 0.00 66.02 65.33 3gvk s SER 510 CO 0.34 0.27 1.09 -2.16 0.41 0.00 0.00 173.24 173.19 3gvk s PRO 511 N -1.54 2.72 0.28 12.44 0.04 -1.26 -4.92 135.00 142.77 3gvk s PRO 511 Ca 0.18 0.58 -0.29 0.00 0.04 0.00 0.00 61.00 61.51 3gvk s PRO 511 Cb -0.11 -2.00 -0.10 0.00 0.04 0.00 0.00 34.50 32.34 3gvk s PRO 511 CO 0.09 -1.16 1.18 -1.58 0.04 0.00 0.00 177.00 175.57 3gvk s TRP 512 N -3.26 3.40 -0.20 0.56 0.52 -1.26 -4.74 118.94 113.96 3gvk s TRP 512 Ca 0.59 1.57 -0.22 0.00 0.02 0.00 0.00 56.10 58.06 3gvk s TRP 512 Cb -0.12 -3.42 -0.02 0.00 -1.15 0.00 0.00 33.47 28.75 3gvk s TRP 512 CO 0.53 -1.03 0.68 0.50 0.02 0.00 0.00 176.95 177.64 3gvk s ARG 513 N -1.37 4.22 -0.24 4.98 3.52 0.75 -4.92 118.95 125.87 3gvk s ARG 513 Ca 0.47 0.70 -0.02 0.00 -0.13 0.00 0.00 55.73 56.74 3gvk s ARG 513 Cb -0.34 -3.59 0.02 0.00 -1.56 0.00 0.00 34.95 29.48 3gvk s ARG 513 CO 0.44 -0.29 -0.05 0.15 -0.81 0.00 0.00 175.30 174.74 3gvk s LYS 514 N 2.06 2.97 -0.34 5.12 1.02 -1.26 -0.91 119.74 128.39 3gvk s LYS 514 Ca 0.30 -0.89 -0.08 0.00 0.02 0.00 0.00 55.97 55.33 3gvk s LYS 514 Cb -0.16 -3.00 0.03 0.00 -0.52 0.00 0.00 37.83 34.19 3gvk s LYS 514 CO 0.10 -0.36 0.13 0.99 -0.92 0.00 0.00 175.35 175.30 3gvk s THR 515 N 1.37 3.98 -0.13 2.17 2.01 0.41 -4.98 115.64 120.48 3gvk s THR 515 Ca 0.02 -1.04 -0.29 0.00 0.31 0.00 0.00 61.69 60.68 3gvk s THR 515 Cb -0.16 -3.23 -0.03 0.00 0.01 0.00 0.00 72.50 69.09 3gvk s THR 515 CO -0.04 -0.18 1.37 -0.62 -0.69 0.00 0.00 174.62 174.47 3gvk s ASP 516 N 1.44 6.87 0.00 3.53 -1.08 -1.26 -0.68 116.67 125.49 3gvk s ASP 516 Ca -0.01 1.86 0.20 0.00 -0.52 0.00 0.00 52.55 54.08 3gvk s ASP 516 Cb -0.19 -2.54 0.29 0.00 -1.46 0.00 0.00 42.92 39.02 3gvk s ASP 516 CO 0.04 -0.80 1.25 0.18 0.52 0.00 0.00 175.17 176.36 3gvk n LEU 517 N 6.67 3.03 0.00 -1.34 4.77 0.02 -4.97 117.00 125.17 3gvk n LEU 517 Ca 0.15 -1.33 0.00 0.00 -0.03 0.00 0.00 56.01 54.79 3gvk n LEU 517 Cb 0.44 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 3gvk n LEU 517 CO 0.58 0.62 0.00 0.61 -1.33 0.00 0.00 177.39 177.86 3gvk n GLY 518 N 1.21 -0.02 3.48 -0.72 0.00 -1.18 -4.16 105.19 103.80 3gvk n GLY 518 Ca 0.15 -1.01 -0.43 0.00 0.00 0.00 0.00 46.02 44.73 3gvk n GLY 518 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3gvk s LEU 519 N 0.00 4.44 0.13 0.99 2.96 -1.26 -0.53 118.68 125.41 3gvk s LEU 519 Ca 0.00 -1.51 -0.33 0.00 -0.22 0.00 0.00 54.13 52.07 3gvk s LEU 519 Cb 0.00 -2.45 -0.13 0.00 0.50 0.00 0.00 46.19 44.11 3gvk s LEU 519 CO 0.00 -1.31 1.67 -0.38 -1.32 0.00 0.00 176.35 175.01 3gvk n ILE 520 N 5.94 0.12 -2.26 6.68 5.41 -1.26 -4.91 119.36 129.08 3gvk n ILE 520 Ca 0.16 -0.02 -0.37 0.00 1.00 0.00 0.00 62.75 63.52 3gvk n ILE 520 Cb 0.48 -1.72 -0.01 0.00 -0.71 0.00 0.00 39.64 37.68 3gvk n ILE 520 CO 0.00 0.00 0.00 -2.84 0.00 0.00 0.00 176.55 173.71 3gvk s PRO 521 N 1.59 3.69 -1.25 0.38 0.02 -1.26 -3.76 135.00 134.41 3gvk s PRO 521 Ca 0.80 1.75 -0.02 0.00 0.02 0.00 0.00 61.00 63.55 3gvk s PRO 521 Cb -0.63 -2.34 -0.01 0.00 0.02 0.00 0.00 34.50 31.54 3gvk s PRO 521 CO 0.39 -0.60 0.79 0.43 -0.33 0.00 0.00 177.00 177.67 3gvk n SER 522 N -0.62 -2.14 -3.79 2.53 7.64 -1.26 -5.01 113.62 110.97 3gvk n SER 522 Ca 0.08 -0.79 -0.20 0.00 1.01 0.00 0.00 58.87 58.98 3gvk n SER 522 Cb 0.48 -4.32 -0.17 0.00 -1.01 0.00 0.00 64.21 59.19 3gvk n SER 522 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3gvk s VAL 523 N -3.57 0.24 -0.26 0.44 1.01 -1.25 -4.51 120.40 112.51 3gvk s VAL 523 Ca 0.08 0.12 -0.15 0.00 0.00 0.00 0.00 61.98 62.03 3gvk s VAL 523 Cb -0.02 -0.37 -0.13 0.00 0.00 0.00 0.00 36.38 35.86 3gvk s VAL 523 CO 0.79 0.20 -0.27 0.41 0.00 0.00 0.00 175.10 176.23 3gvk n THR 524 N 4.61 1.53 -3.86 3.92 -1.04 -0.03 -4.93 114.28 114.48 3gvk n THR 524 Ca -0.17 -0.28 -0.12 0.00 -2.04 0.00 0.00 64.05 61.44 3gvk n THR 524 Cb 0.50 -1.95 -0.13 0.00 -1.82 0.00 0.00 70.33 66.93 3gvk n THR 524 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 3gvk s GLU 525 N -2.51 0.08 -0.14 -2.82 2.02 -1.12 -4.79 118.70 109.42 3gvk s GLU 525 Ca -0.36 0.01 -0.12 0.00 0.02 0.00 0.00 54.97 54.52 3gvk s GLU 525 Cb 0.13 0.04 -0.05 0.00 0.10 0.00 0.00 34.13 34.35 3gvk s GLU 525 CO 0.50 -0.01 0.24 0.08 0.02 0.00 0.00 175.26 176.09 3gvk s VAL 526 N -0.11 5.33 -0.20 2.63 1.01 -1.26 -2.20 120.40 125.61 3gvk s VAL 526 Ca -0.01 0.44 -0.10 0.00 0.00 0.00 0.00 61.98 62.30 3gvk s VAL 526 Cb -0.01 -3.56 0.07 0.00 0.00 0.00 0.00 36.38 32.88 3gvk s VAL 526 CO 0.00 0.47 0.48 -2.28 0.00 0.00 0.00 175.10 173.77 3gvk s HIS 527 N -0.08 -0.75 0.00 5.22 5.04 0.64 -3.97 115.29 121.39 3gvk s HIS 527 Ca 0.15 1.53 0.00 0.00 -1.54 0.00 0.00 55.06 55.20 3gvk s HIS 527 Cb -0.13 0.37 0.00 0.00 0.04 0.00 0.00 32.58 32.86 3gvk s HIS 527 CO 0.04 -0.41 0.00 0.45 -2.34 0.00 0.00 174.74 172.48 3gvk n SER 528 N 4.44 0.00 -3.71 9.88 2.88 -0.35 -1.36 113.62 125.40 3gvk n SER 528 Ca -0.21 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.20 3gvk n SER 528 Cb 0.55 0.17 -0.14 0.00 -0.75 0.00 0.00 64.21 64.04 3gvk n SER 528 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 3gvk s PHE 529 N -3.14 -0.31 -0.22 0.66 5.36 -1.26 -2.50 117.98 116.58 3gvk s PHE 529 Ca 0.00 0.76 0.00 0.00 -0.96 0.00 0.00 56.93 56.73 3gvk s PHE 529 Cb 0.00 -0.03 0.06 0.00 -0.34 0.00 0.00 43.02 42.71 3gvk s PHE 529 CO 0.00 -0.26 -0.04 0.00 -1.46 0.00 0.00 175.22 173.46 3gvk s ALA 530 N 1.65 1.78 0.10 11.12 0.00 -0.05 -4.75 121.76 131.62 3gvk s ALA 530 Ca -0.05 -1.21 -0.31 0.00 0.00 0.00 0.00 51.96 50.38 3gvk s ALA 530 Cb -0.11 -1.37 -0.09 0.00 0.00 0.00 0.00 23.12 21.55 3gvk s ALA 530 CO -0.08 -1.16 1.63 0.99 0.00 0.00 0.00 175.76 177.15 3gvk s THR 531 N 1.48 2.88 -0.21 0.00 2.01 -1.26 -0.49 115.64 120.05 3gvk s THR 531 Ca -0.05 0.45 -0.16 0.00 0.31 0.00 0.00 61.69 62.24 3gvk s THR 531 Cb -0.18 -3.29 -0.12 0.00 0.01 0.00 0.00 72.50 68.92 3gvk s THR 531 CO -0.07 0.01 -0.12 -0.38 -0.69 0.00 0.00 174.62 173.37 3gvk n ILE 532 N 4.48 1.51 -1.88 1.82 2.08 -0.73 -4.64 119.36 122.00 3gvk n ILE 532 Ca 0.15 -0.07 0.00 0.00 0.56 0.00 0.00 62.75 63.39 3gvk n ILE 532 Cb 0.40 -2.10 0.00 0.00 -0.75 0.00 0.00 39.64 37.18 3gvk n ILE 532 CO 0.00 0.00 0.00 -0.90 0.56 0.00 0.00 176.55 176.21 3gvk n ASP 533 N -4.41 0.00 0.06 4.38 5.68 -1.07 -5.01 116.55 116.17 3gvk n ASP 533 Ca -0.32 0.00 0.10 0.00 -0.50 0.00 0.00 54.79 54.07 3gvk n ASP 533 Cb 0.65 0.00 0.42 0.00 -1.14 0.00 0.00 41.12 41.04 3gvk n ASP 533 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 3gvk n ASN 534 N 0.00 0.33 -0.05 -1.12 5.15 -1.26 -3.75 115.26 114.56 3gvk n ASN 534 Ca 0.00 0.57 -0.04 0.00 -0.60 0.00 0.00 54.58 54.51 3gvk n ASN 534 Cb 0.00 -0.64 -0.09 0.00 -0.53 0.00 0.00 39.78 38.52 3gvk n ASN 534 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 3gvk n ASN 535 N -1.85 2.36 -0.84 1.20 5.03 -1.26 -4.66 115.26 115.24 3gvk n ASN 535 Ca 0.03 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.48 3gvk n ASN 535 Cb 0.23 0.84 0.00 0.00 -1.02 0.00 0.00 39.78 39.83 3gvk n ASN 535 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3gvk n GLY 536 N 2.29 2.02 3.78 7.41 0.00 -1.23 -1.08 105.19 118.39 3gvk n GLY 536 Ca -0.16 -0.95 -0.06 0.00 0.00 0.00 0.00 46.02 44.85 3gvk n GLY 536 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3gvk s PHE 537 N -7.56 -0.19 0.17 1.61 -0.12 -1.00 -1.77 117.98 109.12 3gvk s PHE 537 Ca 0.00 -0.18 0.10 0.00 -0.05 0.00 0.00 56.93 56.80 3gvk s PHE 537 Cb 0.00 0.67 -0.04 0.00 -0.63 0.00 0.00 43.02 43.02 3gvk s PHE 537 CO 0.00 -1.03 -0.21 0.00 -0.05 0.00 0.00 175.22 173.93 3gvk s ALA 538 N -3.63 2.62 -0.04 1.99 0.00 0.36 -0.95 121.76 122.11 3gvk s ALA 538 Ca 0.11 -1.54 0.03 0.00 0.00 0.00 0.00 51.96 50.56 3gvk s ALA 538 Cb -0.04 -0.47 0.00 0.00 0.00 0.00 0.00 23.12 22.62 3gvk s ALA 538 CO 0.03 0.48 -0.12 -1.64 0.00 0.00 0.00 175.76 174.52 3gvk s MET 539 N -2.53 1.35 0.66 0.00 -1.94 0.18 -0.87 119.30 116.16 3gvk s MET 539 Ca 0.20 -0.40 -0.12 0.00 -1.71 0.00 0.00 55.69 53.66 3gvk s MET 539 Cb -0.09 -1.19 -0.01 0.00 2.01 0.00 0.00 34.83 35.55 3gvk s MET 539 CO 0.10 0.12 1.05 0.20 -0.01 0.00 0.00 175.02 176.49 3gvk s GLY 540 N 0.30 1.75 0.17 -0.03 0.00 -0.47 0.29 107.32 109.33 3gvk s GLY 540 Ca -0.06 0.11 -0.17 0.00 0.00 0.00 0.00 44.72 44.60 3gvk s GLY 540 CO 0.02 0.42 0.47 -2.52 0.00 0.00 0.00 173.10 171.48 3gvk s TYR 541 N -2.96 -0.13 0.08 1.90 -0.85 -0.47 -0.26 117.35 114.66 3gvk s TYR 541 Ca 0.59 -0.19 -0.08 0.00 -0.52 0.00 0.00 57.07 56.86 3gvk s TYR 541 Cb -0.14 0.32 -0.00 0.00 0.38 0.00 0.00 41.96 42.52 3gvk s TYR 541 CO 0.51 -0.82 0.18 -3.38 -1.52 0.00 0.00 175.55 170.52 3gvk s HIS 542 N -3.85 0.16 -0.14 -3.49 -3.43 -0.93 -1.97 115.29 101.65 3gvk s HIS 542 Ca 0.07 -0.58 0.00 0.00 -0.80 0.00 0.00 55.06 53.75 3gvk s HIS 542 Cb 0.00 -0.07 0.02 0.00 -1.43 0.00 0.00 32.58 31.11 3gvk s HIS 542 CO -0.07 -0.53 -0.12 -1.14 -2.00 0.00 0.00 174.74 170.89 3gvk s GLN 543 N -3.77 2.03 -0.01 -0.38 -0.44 0.51 -0.85 119.66 116.76 3gvk s GLN 543 Ca 0.04 -0.45 0.14 0.00 -2.50 0.00 0.00 55.36 52.59 3gvk s GLN 543 Cb 0.05 -1.93 0.24 0.00 -1.64 0.00 0.00 33.01 29.73 3gvk s GLN 543 CO -0.10 -0.24 1.10 0.41 0.50 0.00 0.00 175.29 176.95 3gvk n GLY 544 N 4.82 0.93 0.09 2.59 0.00 -1.26 -1.93 105.19 110.43 3gvk n GLY 544 Ca -0.15 -0.49 -0.07 0.00 0.00 0.00 0.00 46.02 45.30 3gvk n GLY 544 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3gvk n ASP 545 N 0.22 0.10 -4.27 1.61 8.00 -1.26 -5.00 116.55 115.95 3gvk n ASP 545 Ca 0.04 0.00 -0.17 0.00 0.71 0.00 0.00 54.79 55.37 3gvk n ASP 545 Cb 0.93 1.12 -0.11 0.00 -0.02 0.00 0.00 41.12 43.05 3gvk n ASP 545 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 3gvk s VAL 546 N -2.61 1.39 0.13 2.53 -7.23 -1.26 -5.15 120.40 108.20 3gvk s VAL 546 Ca -0.10 -1.94 -0.21 0.00 -1.81 0.00 0.00 61.98 57.92 3gvk s VAL 546 Cb 0.07 -1.76 -0.07 0.00 0.56 0.00 0.00 36.38 35.18 3gvk s VAL 546 CO 0.82 -0.56 0.66 0.00 -0.31 0.00 0.00 175.10 175.71 3gvk s ALA 547 N -2.69 3.52 0.50 1.32 0.00 -1.26 -3.86 121.76 119.28 3gvk s ALA 547 Ca 0.15 0.15 -0.08 0.00 0.00 0.00 0.00 51.96 52.17 3gvk s ALA 547 Cb -0.02 -2.76 -0.04 0.00 0.00 0.00 0.00 23.12 20.30 3gvk s ALA 547 CO 0.03 0.36 0.85 -1.25 0.00 0.00 0.00 175.76 175.75 3gvk s PRO 548 N -1.29 3.62 0.42 0.00 0.04 -1.26 -5.14 135.00 131.39 3gvk s PRO 548 Ca 0.34 0.41 -0.24 0.00 0.04 0.00 0.00 61.00 61.54 3gvk s PRO 548 Cb -0.20 -2.30 -0.08 0.00 0.04 0.00 0.00 34.50 31.96 3gvk s PRO 548 CO 0.22 -0.25 1.15 0.50 0.04 0.00 0.00 177.00 178.65 3gvk s ARG 549 N -4.62 3.97 -0.02 4.56 3.52 -1.25 -4.96 118.95 120.16 3gvk s ARG 549 Ca 0.50 1.76 0.08 0.00 -0.13 0.00 0.00 55.73 57.94 3gvk s ARG 549 Cb -0.10 -2.56 -0.02 0.00 -1.56 0.00 0.00 34.95 30.70 3gvk s ARG 549 CO 0.43 -0.37 -0.25 -1.21 -0.81 0.00 0.00 175.30 173.10 3gvk s GLU 550 N -2.46 2.02 -0.03 5.12 2.02 -0.81 -4.73 118.70 119.82 3gvk s GLU 550 Ca 0.59 -0.90 -0.00 0.00 0.02 0.00 0.00 54.97 54.68 3gvk s GLU 550 Cb -0.28 -1.96 0.03 0.00 0.10 0.00 0.00 34.13 32.02 3gvk s GLU 550 CO 0.35 0.54 0.05 0.08 0.02 0.00 0.00 175.26 176.30 3gvk s VAL 551 N -0.59 -0.05 0.00 2.63 1.01 -1.26 -0.36 120.40 121.77 3gvk s VAL 551 Ca 0.10 0.20 0.00 0.00 0.00 0.00 0.00 61.98 62.27 3gvk s VAL 551 Cb -0.10 -0.10 0.00 0.00 0.00 0.00 0.00 36.38 36.18 3gvk s VAL 551 CO -0.01 0.08 0.00 0.61 0.00 0.00 0.00 175.10 175.78 3gvk n GLY 552 N 4.11 0.88 3.16 4.51 0.00 -0.83 -1.15 105.19 115.87 3gvk n GLY 552 Ca -0.27 0.11 -0.08 0.00 0.00 0.00 0.00 46.02 45.78 3gvk n GLY 552 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3gvk s LEU 553 N 0.00 1.84 -0.20 0.99 0.05 0.32 -1.36 118.68 120.32 3gvk s LEU 553 Ca 0.00 -0.78 -0.04 0.00 0.05 0.00 0.00 54.13 53.36 3gvk s LEU 553 Cb 0.00 0.70 -0.02 0.00 -2.05 0.00 0.00 46.19 44.83 3gvk s LEU 553 CO 0.00 -0.67 -0.03 -0.36 -0.55 0.00 0.00 176.35 174.74 3gvk s PHE 554 N -3.82 2.98 -0.25 3.48 0.08 0.15 -1.02 117.98 119.57 3gvk s PHE 554 Ca 0.05 -0.70 -0.10 0.00 0.12 0.00 0.00 56.93 56.31 3gvk s PHE 554 Cb 0.06 -2.07 -0.04 0.00 -0.57 0.00 0.00 43.02 40.39 3gvk s PHE 554 CO -0.10 -0.38 0.14 -0.47 -0.10 0.00 0.00 175.22 174.31 3gvk s TYR 555 N 1.15 3.22 -0.71 0.36 5.04 -0.26 -0.64 117.35 125.51 3gvk s TYR 555 Ca 0.02 0.04 -0.12 0.00 -2.44 0.00 0.00 57.07 54.56 3gvk s TYR 555 Cb -0.15 -2.29 0.19 0.00 0.35 0.00 0.00 41.96 40.06 3gvk s TYR 555 CO -0.00 -0.10 0.63 -0.06 -1.34 0.00 0.00 175.55 174.68 3gvk s PHE 556 N 1.38 3.59 0.34 4.97 0.08 -0.12 -0.79 117.98 127.43 3gvk s PHE 556 Ca 0.07 -1.95 0.06 0.00 0.12 0.00 0.00 56.93 55.22 3gvk s PHE 556 Cb -0.15 -3.70 0.63 0.00 -0.57 0.00 0.00 43.02 39.23 3gvk s PHE 556 CO 0.07 -0.98 1.86 -1.00 -0.10 0.00 0.00 175.22 175.07 3gvk h PRO 557 N 7.94 0.40 -2.59 0.24 0.13 -1.81 -2.66 132.00 133.65 3gvk h PRO 557 Ca -0.02 -0.10 -0.59 0.00 -0.87 0.00 0.00 66.00 64.42 3gvk h PRO 557 Cb 1.04 -0.05 -0.39 0.00 0.13 0.00 0.00 31.00 31.73 3gvk h PRO 557 CO 0.81 0.52 -0.87 0.34 -0.23 0.00 0.00 178.00 178.57 3gvk s ASP 558 N -6.81 2.51 0.48 1.44 -1.08 -1.26 -3.50 116.67 108.45 3gvk s ASP 558 Ca -0.07 -2.88 0.27 0.00 -0.52 0.00 0.00 52.55 49.36 3gvk s ASP 558 Cb 0.15 -0.65 1.04 0.00 -1.46 0.00 0.00 42.92 42.01 3gvk s ASP 558 CO 0.76 -0.21 1.87 0.00 0.52 0.00 0.00 175.17 178.11 3gvk h ALA 559 N 6.11 1.01 0.06 3.66 0.00 -1.24 -0.55 119.26 128.31 3gvk h ALA 559 Ca 0.16 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 3gvk h ALA 559 Cb 0.91 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.68 3gvk h ALA 559 CO 0.40 0.18 -0.03 0.74 0.00 0.00 0.00 179.25 180.54 3gvk h PHE 560 N 0.00 -0.07 0.25 0.00 0.04 -1.94 -3.18 116.94 112.03 3gvk h PHE 560 Ca -0.00 -0.00 -0.33 0.00 2.80 0.00 0.00 57.97 60.44 3gvk h PHE 560 Cb 0.68 0.02 0.04 0.00 2.20 0.00 0.00 35.95 38.89 3gvk h PHE 560 CO 0.00 0.49 -1.44 -0.91 -0.60 0.00 0.00 178.31 175.85 3gvk h ASN 561 N -0.91 0.84 -2.41 2.17 -0.26 -1.92 -3.42 115.58 109.67 3gvk h ASN 561 Ca -0.01 -0.92 -0.59 0.00 -0.56 0.00 0.00 56.30 54.22 3gvk h ASN 561 Cb 0.60 -0.27 -0.40 0.00 -1.06 0.00 0.00 38.32 37.19 3gvk h ASN 561 CO 0.01 1.70 -0.81 -1.20 -1.06 0.00 0.00 177.43 176.07 3gvk n SER 562 N -3.75 1.67 0.27 5.81 7.64 -0.22 -4.95 113.62 120.10 3gvk n SER 562 Ca -0.17 -2.94 0.18 0.00 1.01 0.00 0.00 58.87 56.95 3gvk n SER 562 Cb 1.09 -0.66 0.80 0.00 -1.01 0.00 0.00 64.21 64.44 3gvk n SER 562 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 3gvk h PRO 563 N 4.79 0.00 -0.00 1.43 0.13 -1.66 -2.36 132.00 134.32 3gvk h PRO 563 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 3gvk h PRO 563 Cb 0.80 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.93 3gvk h PRO 563 CO 0.60 0.00 -0.32 -1.13 -0.23 0.00 0.00 178.00 176.93 3gvk n SER 564 N -2.92 0.72 -4.53 1.44 3.41 -1.26 -4.83 113.62 105.65 3gvk n SER 564 Ca -0.00 -0.56 -0.42 0.00 -0.26 0.00 0.00 58.87 57.62 3gvk n SER 564 Cb 0.21 0.12 -0.07 0.00 -0.26 0.00 0.00 64.21 64.22 3gvk n SER 564 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 3gvk s ASN 565 N -2.70 6.33 0.03 4.04 2.47 -0.89 -5.04 114.94 119.18 3gvk s ASN 565 Ca 0.20 -0.21 -0.01 0.00 0.42 0.00 0.00 52.86 53.26 3gvk s ASN 565 Cb 0.19 -2.30 -0.02 0.00 -1.45 0.00 0.00 41.25 37.66 3gvk s ASN 565 CO 0.58 -0.66 -0.02 -0.72 -3.72 0.00 0.00 177.10 172.56 3gvk s TYR 566 N 2.65 0.33 -0.08 0.43 -0.85 -1.26 -4.25 117.35 114.32 3gvk s TYR 566 Ca 0.21 -0.68 0.05 0.00 -0.52 0.00 0.00 57.07 56.13 3gvk s TYR 566 Cb -0.15 -0.24 -0.01 0.00 0.38 0.00 0.00 41.96 41.94 3gvk s TYR 566 CO 0.17 -0.26 -0.24 0.54 -1.52 0.00 0.00 175.55 174.24 3gvk s VAL 567 N -2.29 2.16 -0.15 -3.49 0.11 0.03 -4.93 120.40 111.85 3gvk s VAL 567 Ca -0.08 -1.01 -0.23 0.00 -2.93 0.00 0.00 61.98 57.72 3gvk s VAL 567 Cb -0.04 -1.81 -0.02 0.00 -1.53 0.00 0.00 36.38 32.98 3gvk s VAL 567 CO -0.04 0.56 0.74 -0.60 -3.33 0.00 0.00 175.10 172.43 3gvk s ARG 568 N 0.02 4.31 -0.16 1.54 3.52 -1.26 -1.10 118.95 125.81 3gvk s ARG 568 Ca -0.09 0.86 -0.00 0.00 -0.13 0.00 0.00 55.73 56.38 3gvk s ARG 568 Cb -0.15 -3.54 0.04 0.00 -1.56 0.00 0.00 34.95 29.73 3gvk s ARG 568 CO 0.05 -0.20 -0.07 1.03 -0.81 0.00 0.00 175.30 175.31 3gvk s ARG 569 N 1.72 1.62 0.21 5.12 1.81 -0.19 -5.01 118.95 124.23 3gvk s ARG 569 Ca 0.35 -0.54 -0.05 0.00 -1.72 0.00 0.00 55.73 53.78 3gvk s ARG 569 Cb -0.17 -2.02 -0.06 0.00 -0.45 0.00 0.00 34.95 32.26 3gvk s ARG 569 CO 0.13 -0.39 0.46 -0.65 -0.68 0.00 0.00 175.30 174.17 3gvk s GLN 570 N 1.59 3.64 0.82 3.54 -0.21 -1.26 -0.52 119.66 127.26 3gvk s GLN 570 Ca 0.01 -0.04 -0.12 0.00 0.02 0.00 0.00 55.36 55.23 3gvk s GLN 570 Cb -0.15 -2.75 0.09 0.00 1.00 0.00 0.00 33.01 31.20 3gvk s GLN 570 CO -0.08 0.36 1.10 0.96 -2.12 0.00 0.00 175.29 175.51 3gvk s ILE 571 N -1.85 2.88 0.40 1.08 -4.36 -0.30 -4.92 121.20 114.14 3gvk s ILE 571 Ca 0.43 0.29 -0.25 0.00 -0.26 0.00 0.00 60.65 60.85 3gvk s ILE 571 Cb -0.11 -3.00 -0.11 0.00 1.25 0.00 0.00 42.46 40.49 3gvk s ILE 571 CO 0.26 -0.37 1.05 -2.65 0.24 0.00 0.00 174.94 173.47 3gvk n PRO 572 N -3.53 1.44 -0.06 0.37 -0.02 -1.26 -4.84 135.00 127.10 3gvk n PRO 572 Ca 0.07 0.52 0.14 0.00 -2.02 0.00 0.00 63.50 62.21 3gvk n PRO 572 Cb 0.56 -2.07 0.55 0.00 -0.02 0.00 0.00 33.50 32.52 3gvk n PRO 572 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3gvk h SER 573 N 1.68 0.27 0.80 2.55 4.64 -1.98 -1.50 113.55 120.01 3gvk h SER 573 Ca -0.44 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 3gvk h SER 573 Cb 1.33 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 3gvk h SER 573 CO 0.58 0.16 0.00 1.05 -0.87 0.00 0.00 176.83 177.74 3gvk h GLU 574 N 0.30 0.00 -0.02 4.77 4.11 -2.01 -2.91 114.58 118.83 3gvk h GLU 574 Ca 0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.70 3gvk h GLU 574 Cb 0.66 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.91 3gvk h GLU 574 CO -0.06 0.00 -0.41 0.66 0.07 0.00 0.00 179.01 179.27 3gvk n TYR 575 N -2.35 0.00 0.11 2.06 4.01 -0.57 -4.52 117.16 115.90 3gvk n TYR 575 Ca 0.02 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.57 3gvk n TYR 575 Cb 0.25 0.00 -0.15 0.00 -0.31 0.00 0.00 39.34 39.13 3gvk n TYR 575 CO 0.00 0.00 0.00 0.93 -0.46 0.00 0.00 176.86 177.33 3gvk h GLU 576 N 2.60 0.34 -6.98 -0.72 5.08 -1.54 -3.44 114.58 109.92 3gvk h GLU 576 Ca 0.00 -0.59 -0.54 0.00 -1.00 0.00 0.00 59.36 57.23 3gvk h GLU 576 Cb 0.75 0.22 0.11 0.00 0.50 0.00 0.00 28.75 30.33 3gvk h GLU 576 CO 0.00 1.26 0.69 -2.14 -1.00 0.00 0.00 179.01 177.82 3gvk s PRO 577 N -2.63 3.76 -1.48 2.33 0.02 -1.26 -3.00 135.00 132.74 3gvk s PRO 577 Ca -0.07 2.37 -0.07 0.00 0.02 0.00 0.00 61.00 63.26 3gvk s PRO 577 Cb 0.06 -2.69 0.02 0.00 0.02 0.00 0.00 34.50 31.91 3gvk s PRO 577 CO 0.89 -0.74 0.80 -0.25 -0.33 0.00 0.00 177.00 177.38 3gvk n ASP 578 N -0.10 -6.00 -4.01 2.53 8.00 -1.26 -4.98 116.55 110.73 3gvk n ASP 578 Ca 0.05 -0.40 -0.10 0.00 0.71 0.00 0.00 54.79 55.04 3gvk n ASP 578 Cb 0.42 -4.80 -0.11 0.00 -0.02 0.00 0.00 41.12 36.61 3gvk n ASP 578 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gvk s ALA 579 N -3.22 0.30 0.35 2.24 0.00 -1.16 -1.42 121.76 118.85 3gvk s ALA 579 Ca 0.42 -0.69 -0.08 0.00 0.00 0.00 0.00 51.96 51.61 3gvk s ALA 579 Cb -0.19 0.12 0.02 0.00 0.00 0.00 0.00 23.12 23.08 3gvk s ALA 579 CO 0.52 -0.13 0.60 -1.54 0.00 0.00 0.00 175.76 175.22 3gvk s SER 580 N -1.60 0.49 -0.93 0.00 1.04 0.14 -4.89 113.70 107.95 3gvk s SER 580 Ca -0.13 -1.31 -0.10 0.00 0.48 0.00 0.00 55.95 54.89 3gvk s SER 580 Cb -0.09 0.74 0.01 0.00 0.10 0.00 0.00 66.02 66.78 3gvk s SER 580 CO -0.01 -1.45 0.62 -0.62 0.98 0.00 0.00 173.24 172.76 3gvk n GLU 581 N -0.54 -1.14 -2.43 4.02 1.02 -1.26 -1.14 120.64 119.17 3gvk n GLU 581 Ca -0.03 0.53 -0.41 0.00 -0.02 0.00 0.00 57.16 57.24 3gvk n GLU 581 Cb 0.61 -2.25 -0.04 0.00 -0.02 0.00 0.00 31.44 29.74 3gvk n GLU 581 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 3gvk s PRO 582 N -5.70 4.59 -0.13 3.49 0.04 -1.26 -4.04 135.00 131.98 3gvk s PRO 582 Ca 0.14 1.84 -0.14 0.00 0.04 0.00 0.00 61.00 62.88 3gvk s PRO 582 Cb -0.08 -3.20 -0.05 0.00 0.04 0.00 0.00 34.50 31.22 3gvk s PRO 582 CO 0.91 0.12 0.33 0.00 0.04 0.00 0.00 177.00 178.40 3gvk s ILE 584 N 0.23 1.31 0.04 0.00 -4.36 -1.26 -1.32 121.20 115.84 3gvk s ILE 584 Ca 0.19 -0.67 -0.03 0.00 -0.26 0.00 0.00 60.65 59.88 3gvk s ILE 584 Cb -0.14 -1.12 -0.02 0.00 1.25 0.00 0.00 42.46 42.43 3gvk s ILE 584 CO 0.06 0.38 0.03 -0.54 0.24 0.00 0.00 174.94 175.11 3gvk s LYS 585 N -0.07 0.57 -0.14 0.37 -0.14 -0.77 -4.09 119.74 115.46 3gvk s LYS 585 Ca -0.01 -0.94 0.00 0.00 -1.36 0.00 0.00 55.97 53.67 3gvk s LYS 585 Cb -0.10 0.21 0.02 0.00 -1.68 0.00 0.00 37.83 36.29 3gvk s LYS 585 CO 0.01 -0.12 -0.13 -0.47 -0.76 0.00 0.00 175.35 173.88 3gvk s TYR 586 N -3.06 2.07 -0.05 3.18 5.04 -1.26 -0.48 117.35 122.78 3gvk s TYR 586 Ca -0.01 -1.16 -0.00 0.00 -2.44 0.00 0.00 57.07 53.46 3gvk s TYR 586 Cb 0.02 -1.54 0.03 0.00 0.35 0.00 0.00 41.96 40.81 3gvk s TYR 586 CO -0.07 -0.65 -0.01 0.71 -1.34 0.00 0.00 175.55 174.20 3gvk s TYR 587 N 1.52 0.58 -1.42 4.97 2.02 -0.49 -4.93 117.35 119.60 3gvk s TYR 587 Ca 0.05 -0.12 -0.03 0.00 -0.37 0.00 0.00 57.07 56.60 3gvk s TYR 587 Cb -0.13 -0.67 0.02 0.00 -0.40 0.00 0.00 41.96 40.78 3gvk s TYR 587 CO -0.10 -0.24 0.55 -0.25 -1.57 0.00 0.00 175.55 173.93 3gvk n ASP 588 N 4.67 -1.04 0.00 2.29 8.00 -1.26 -1.53 116.55 127.67 3gvk n ASP 588 Ca -0.15 -0.95 0.00 0.00 0.71 0.00 0.00 54.79 54.40 3gvk n ASP 588 Cb 0.50 -3.31 0.00 0.00 -0.02 0.00 0.00 41.12 38.29 3gvk n ASP 588 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3gvk n GLY 589 N -1.83 1.19 3.23 0.44 0.00 -1.26 -5.02 105.19 101.94 3gvk n GLY 589 Ca -0.25 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.45 3gvk n GLY 589 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gvk s VAL 590 N -3.46 2.13 -0.21 1.61 0.11 -0.58 -4.50 120.40 115.49 3gvk s VAL 590 Ca 0.00 -1.00 -0.16 0.00 -2.93 0.00 0.00 61.98 57.90 3gvk s VAL 590 Cb 0.00 -1.81 -0.04 0.00 -1.53 0.00 0.00 36.38 33.00 3gvk s VAL 590 CO 0.00 0.56 0.39 -0.22 -3.33 0.00 0.00 175.10 172.50 3gvk s LEU 591 N 0.32 4.14 -0.06 2.54 0.20 0.17 -1.40 118.68 124.59 3gvk s LEU 591 Ca -0.18 0.48 -0.01 0.00 0.69 0.00 0.00 54.13 55.11 3gvk s LEU 591 Cb -0.18 -2.50 -0.03 0.00 -0.43 0.00 0.00 46.19 43.05 3gvk s LEU 591 CO 0.09 -0.09 0.01 -0.31 -0.29 0.00 0.00 176.35 175.76 3gvk s TYR 592 N 1.41 3.17 -0.02 5.38 2.02 0.37 -1.16 117.35 128.51 3gvk s TYR 592 Ca 0.18 0.18 0.00 0.00 -0.37 0.00 0.00 57.07 57.07 3gvk s TYR 592 Cb -0.15 -1.77 0.02 0.00 -0.40 0.00 0.00 41.96 39.67 3gvk s TYR 592 CO 0.08 0.48 0.01 -1.17 -1.57 0.00 0.00 175.55 173.39 3gvk s LEU 593 N -1.09 1.35 -0.08 -1.29 0.20 0.23 -1.85 118.68 116.15 3gvk s LEU 593 Ca 0.15 0.01 0.02 0.00 0.69 0.00 0.00 54.13 55.00 3gvk s LEU 593 Cb -0.11 -0.10 0.01 0.00 -0.43 0.00 0.00 46.19 45.57 3gvk s LEU 593 CO 0.05 -0.08 -0.13 -0.63 -0.29 0.00 0.00 176.35 175.27 3gvk s ILE 594 N 0.76 1.23 0.46 6.68 1.01 -0.44 -0.07 121.20 130.84 3gvk s ILE 594 Ca -0.07 -0.51 -0.03 0.00 0.00 0.00 0.00 60.65 60.05 3gvk s ILE 594 Cb -0.10 -1.14 -0.02 0.00 0.01 0.00 0.00 42.46 41.21 3gvk s ILE 594 CO -0.02 0.38 0.73 0.42 0.00 0.00 0.00 174.94 176.45 3gvk s THR 595 N 0.87 4.54 -0.16 2.92 -4.23 -0.72 -1.07 115.64 117.79 3gvk s THR 595 Ca -0.10 -0.14 -0.09 0.00 -1.18 0.00 0.00 61.69 60.17 3gvk s THR 595 Cb -0.15 -3.71 -0.05 0.00 1.34 0.00 0.00 72.50 69.93 3gvk s THR 595 CO 0.01 -0.61 0.16 -0.60 -0.54 0.00 0.00 174.62 173.04 3gvk s ARG 596 N -4.64 3.90 0.30 3.99 3.52 -0.29 -4.18 118.95 121.54 3gvk s ARG 596 Ca 0.47 -0.14 -0.23 0.00 -0.13 0.00 0.00 55.73 55.70 3gvk s ARG 596 Cb -0.10 -3.33 -0.09 0.00 -1.56 0.00 0.00 34.95 29.87 3gvk s ARG 596 CO 0.41 0.49 0.85 0.20 -0.81 0.00 0.00 175.30 176.45 3gvk s GLY 597 N -0.21 2.67 0.06 8.12 0.00 -1.21 -0.69 107.32 116.06 3gvk s GLY 597 Ca 0.12 0.35 0.14 0.00 0.00 0.00 0.00 44.72 45.33 3gvk s GLY 597 CO 0.01 0.74 0.92 -0.91 0.00 0.00 0.00 173.10 173.86 3gvk h THR 598 N 2.56 0.83 -3.18 0.90 1.35 -1.53 -0.03 112.91 113.80 3gvk h THR 598 Ca -0.47 -2.45 -0.17 0.00 -0.55 0.00 0.00 66.41 62.76 3gvk h THR 598 Cb 1.19 2.32 -0.26 0.00 -1.73 0.00 0.00 68.15 69.67 3gvk h THR 598 CO 0.65 0.47 -0.46 -0.13 -0.25 0.00 0.00 175.52 175.80 3gvk s ARG 599 N -2.79 0.26 0.16 4.72 0.52 -1.26 -4.69 118.95 115.86 3gvk s ARG 599 Ca -0.02 0.33 0.23 0.00 -0.52 0.00 0.00 55.73 55.75 3gvk s ARG 599 Cb 0.08 0.11 0.90 0.00 0.52 0.00 0.00 34.95 36.56 3gvk s ARG 599 CO 0.81 -0.04 1.71 0.41 0.02 0.00 0.00 175.30 178.21 3gvk n GLY 600 N 3.05 -1.37 1.15 -3.53 0.00 -1.26 -3.02 105.19 100.21 3gvk n GLY 600 Ca -0.14 0.01 0.12 0.00 0.00 0.00 0.00 46.02 46.01 3gvk n GLY 600 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3gvk n ASP 601 N -2.00 3.41 -4.23 1.61 5.75 -1.26 -0.71 116.55 119.11 3gvk n ASP 601 Ca 0.04 -1.98 -0.14 0.00 -0.01 0.00 0.00 54.79 52.70 3gvk n ASP 601 Cb 0.29 -0.28 -0.10 0.00 -1.03 0.00 0.00 41.12 39.99 3gvk n ASP 601 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 3gvk s ARG 602 N -1.44 1.01 0.21 0.11 0.52 -1.17 -5.01 118.95 113.17 3gvk s ARG 602 Ca 0.40 -1.37 -0.32 0.00 -0.52 0.00 0.00 55.73 53.92 3gvk s ARG 602 Cb 0.23 -0.61 -0.14 0.00 0.52 0.00 0.00 34.95 34.94 3gvk s ARG 602 CO 0.31 0.08 1.32 1.28 0.02 0.00 0.00 175.30 178.32 3gvk n LEU 603 N 0.02 2.48 0.00 2.53 4.77 -1.26 -4.62 117.00 120.92 3gvk n LEU 603 Ca -0.12 1.14 0.00 0.00 -0.03 0.00 0.00 56.01 57.00 3gvk n LEU 603 Cb 0.60 -1.34 0.00 0.00 -2.33 0.00 0.00 43.42 40.34 3gvk n LEU 603 CO 0.31 -0.80 0.00 0.61 -1.33 0.00 0.00 177.39 176.18 3gvk n GLY 604 N 2.17 3.12 3.54 -0.72 0.00 -1.26 -4.82 105.19 107.21 3gvk n GLY 604 Ca 0.13 -1.14 -0.52 0.00 0.00 0.00 0.00 46.02 44.50 3gvk n GLY 604 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3gvk n SER 605 N 0.00 0.76 -4.22 1.61 7.64 -0.42 -4.71 113.62 114.27 3gvk n SER 605 Ca 0.00 1.14 -0.16 0.00 1.01 0.00 0.00 58.87 60.86 3gvk n SER 605 Cb 0.00 -1.11 -0.11 0.00 -1.01 0.00 0.00 64.21 61.98 3gvk n SER 605 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3gvk s SER 606 N -0.05 1.78 -0.07 6.43 1.04 -1.26 -2.00 113.70 119.57 3gvk s SER 606 Ca 0.78 -0.83 0.03 0.00 0.48 0.00 0.00 55.95 56.41 3gvk s SER 606 Cb -0.97 -0.04 -0.02 0.00 0.10 0.00 0.00 66.02 65.09 3gvk s SER 606 CO 0.53 -0.21 -0.16 -0.22 0.98 0.00 0.00 173.24 174.16 3gvk s LEU 607 N -2.52 2.61 0.03 2.42 2.96 0.38 -1.75 118.68 122.80 3gvk s LEU 607 Ca 0.08 -0.28 0.02 0.00 -0.22 0.00 0.00 54.13 53.74 3gvk s LEU 607 Cb -0.03 -1.53 -0.02 0.00 0.50 0.00 0.00 46.19 45.11 3gvk s LEU 607 CO 0.02 0.30 -0.08 -1.00 -1.32 0.00 0.00 176.35 174.26 3gvk s HIS 608 N -0.43 0.67 0.03 5.38 3.76 0.90 -0.96 115.29 124.64 3gvk s HIS 608 Ca 0.05 -0.36 0.03 0.00 -0.15 0.00 0.00 55.06 54.62 3gvk s HIS 608 Cb -0.12 -0.41 -0.02 0.00 1.11 0.00 0.00 32.58 33.14 3gvk s HIS 608 CO 0.02 -0.05 -0.08 -0.98 -0.85 0.00 0.00 174.74 172.80 3gvk s ARG 609 N -1.11 0.57 -0.05 1.40 1.70 -0.20 -0.60 118.95 120.66 3gvk s ARG 609 Ca -0.05 -0.60 -0.04 0.00 -0.47 0.00 0.00 55.73 54.57 3gvk s ARG 609 Cb -0.07 -0.45 0.02 0.00 -0.57 0.00 0.00 34.95 33.88 3gvk s ARG 609 CO 0.00 0.10 0.13 0.45 -1.08 0.00 0.00 175.30 174.90 3gvk s SER 610 N -1.09 -0.13 0.00 -2.89 0.15 -0.31 -0.69 113.70 108.74 3gvk s SER 610 Ca -0.04 0.26 0.20 0.00 0.70 0.00 0.00 55.95 57.06 3gvk s SER 610 Cb -0.07 0.25 0.45 0.00 -1.71 0.00 0.00 66.02 64.94 3gvk s SER 610 CO 0.00 -0.06 1.38 0.54 1.20 0.00 0.00 173.24 176.31 3gvk n ARG 611 N 3.19 2.52 -1.99 5.44 1.74 -1.26 -0.65 116.66 125.64 3gvk n ARG 611 Ca -0.14 -2.30 -0.02 0.00 -0.77 0.00 0.00 57.85 54.61 3gvk n ARG 611 Cb 0.58 -1.46 0.06 0.00 -1.02 0.00 0.00 32.46 30.61 3gvk n ARG 611 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3gvk n ASP 612 N 1.30 2.03 -3.71 0.55 5.68 -1.26 -4.94 116.55 116.19 3gvk n ASP 612 Ca 0.19 -2.59 -0.23 0.00 -0.50 0.00 0.00 54.79 51.66 3gvk n ASP 612 Cb 0.56 -0.41 0.03 0.00 -1.14 0.00 0.00 41.12 40.15 3gvk n ASP 612 CO 0.00 0.00 0.00 -0.38 -1.33 0.00 0.00 177.20 175.49 3gvk n ILE 613 N -0.37 -4.69 -0.89 2.12 5.41 -1.26 -3.02 119.36 116.66 3gvk n ILE 613 Ca 0.15 -0.60 0.00 0.00 1.00 0.00 0.00 62.75 63.30 3gvk n ILE 613 Cb 0.92 -3.83 0.00 0.00 -0.71 0.00 0.00 39.64 36.02 3gvk n ILE 613 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3gvk n GLY 614 N -1.63 0.56 0.18 7.39 0.00 -1.26 -4.93 105.19 105.50 3gvk n GLY 614 Ca -0.27 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.57 3gvk n GLY 614 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3gvk h GLN 615 N 1.35 0.61 -5.20 1.61 4.20 -1.89 -3.40 115.11 112.38 3gvk h GLN 615 Ca 0.00 -0.63 -0.38 0.00 0.06 0.00 0.00 58.65 57.70 3gvk h GLN 615 Cb 0.00 0.17 -0.20 0.00 0.30 0.00 0.00 27.48 27.76 3gvk h GLN 615 CO 0.00 1.24 -0.76 0.95 -0.67 0.00 0.00 178.83 179.59 3gvk s THR 616 N -3.34 1.08 0.04 -0.54 -4.23 -1.26 -5.04 115.64 102.34 3gvk s THR 616 Ca -0.11 -1.49 0.02 0.00 -1.18 0.00 0.00 61.69 58.93 3gvk s THR 616 Cb 0.06 -1.23 -0.02 0.00 1.34 0.00 0.00 72.50 72.64 3gvk s THR 616 CO 0.88 -0.38 -0.07 0.26 -0.54 0.00 0.00 174.62 174.78 3gvk s TRP 617 N -1.82 0.62 -0.08 3.99 0.52 -1.26 -4.42 118.94 116.48 3gvk s TRP 617 Ca 0.02 -0.49 -0.00 0.00 0.02 0.00 0.00 56.10 55.65 3gvk s TRP 617 Cb -0.07 -0.38 -0.03 0.00 -1.15 0.00 0.00 33.47 31.85 3gvk s TRP 617 CO 0.02 -0.09 -0.05 -1.21 0.02 0.00 0.00 176.95 175.63 3gvk s GLU 618 N -1.51 2.92 0.11 4.98 2.02 0.13 -4.96 118.70 122.39 3gvk s GLU 618 Ca -0.10 -0.52 0.04 0.00 0.02 0.00 0.00 54.97 54.41 3gvk s GLU 618 Cb -0.10 -2.67 -0.04 0.00 0.10 0.00 0.00 34.13 31.42 3gvk s GLU 618 CO 0.00 0.61 -0.10 -1.12 0.02 0.00 0.00 175.26 174.67 3gvk s SER 619 N -0.66 1.57 0.09 -0.19 0.01 -1.26 -1.03 113.70 112.23 3gvk s SER 619 Ca 0.10 -0.89 -0.14 0.00 1.31 0.00 0.00 55.95 56.34 3gvk s SER 619 Cb -0.12 0.00 0.02 0.00 0.21 0.00 0.00 66.02 66.14 3gvk s SER 619 CO 0.02 -0.29 0.32 -1.48 0.41 0.00 0.00 173.24 172.22 3gvk s LEU 620 N -2.71 0.80 -0.11 2.44 0.05 -0.13 -5.01 118.68 114.01 3gvk s LEU 620 Ca 0.10 -0.34 -0.01 0.00 0.05 0.00 0.00 54.13 53.93 3gvk s LEU 620 Cb -0.01 1.49 -0.03 0.00 -2.05 0.00 0.00 46.19 45.60 3gvk s LEU 620 CO 0.00 -0.74 -0.08 -0.60 -0.55 0.00 0.00 176.35 174.38 3gvk s ARG 621 N -3.36 3.16 0.22 1.48 6.06 -1.26 -0.47 118.95 124.78 3gvk s ARG 621 Ca 0.01 -0.58 -0.30 0.00 -2.50 0.00 0.00 55.73 52.35 3gvk s ARG 621 Cb 0.02 -2.68 -0.09 0.00 0.06 0.00 0.00 34.95 32.26 3gvk s ARG 621 CO -0.09 0.43 1.24 -0.06 -2.50 0.00 0.00 175.30 174.32 3gvk s PHE 622 N -0.18 3.34 0.71 5.12 0.08 -0.85 -4.75 117.98 121.46 3gvk s PHE 622 Ca 0.02 1.39 -0.16 0.00 0.12 0.00 0.00 56.93 58.29 3gvk s PHE 622 Cb -0.13 -3.50 0.02 0.00 -0.57 0.00 0.00 43.02 38.84 3gvk s PHE 622 CO 0.03 -1.44 1.22 -2.30 -0.10 0.00 0.00 175.22 172.63 3gvk n PRO 623 N 2.16 0.73 -3.10 0.24 -0.02 -1.26 -4.11 135.00 129.64 3gvk n PRO 623 Ca 0.04 0.31 -0.16 0.00 -2.02 0.00 0.00 63.50 61.67 3gvk n PRO 623 Cb 0.44 -2.45 0.05 0.00 -0.02 0.00 0.00 33.50 31.51 3gvk n PRO 623 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3gvk n HIS 624 N -2.43 -1.75 -3.70 6.00 8.25 -1.26 -4.25 115.22 116.08 3gvk n HIS 624 Ca 0.15 0.59 -0.26 0.00 -0.26 0.00 0.00 57.72 57.94 3gvk n HIS 624 Cb 0.49 -3.57 0.03 0.00 1.12 0.00 0.00 29.99 28.06 3gvk n HIS 624 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3gvk n ASN 625 N -1.36 -3.15 -4.70 0.41 3.02 -1.26 -3.03 115.26 105.20 3gvk n ASN 625 Ca -0.01 -0.93 -0.42 0.00 -0.03 0.00 0.00 54.58 53.19 3gvk n ASN 625 Cb 0.55 -3.69 -0.03 0.00 -0.61 0.00 0.00 39.78 36.00 3gvk n ASN 625 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 3gvk n VAL 626 N -4.17 0.24 -3.87 2.41 0.31 -1.26 -4.59 118.33 107.40 3gvk n VAL 626 Ca -0.20 -0.04 -0.09 0.00 -0.01 0.00 0.00 64.34 64.00 3gvk n VAL 626 Cb 0.64 -2.08 -0.07 0.00 -0.91 0.00 0.00 33.84 31.42 3gvk n VAL 626 CO 0.00 0.00 0.00 -1.38 -1.32 0.00 0.00 176.83 174.13 3gvk s HIS 627 N 2.19 0.18 0.00 3.52 -3.43 -1.26 -1.30 115.29 115.19 3gvk s HIS 627 Ca 0.80 -0.61 0.00 0.00 -0.80 0.00 0.00 55.06 54.45 3gvk s HIS 627 Cb -0.49 -0.06 0.00 0.00 -1.43 0.00 0.00 32.58 30.60 3gvk s HIS 627 CO 0.35 -0.57 0.00 0.72 -2.00 0.00 0.00 174.74 173.25 3gvk n HIS 628 N -0.08 0.00 -4.88 0.38 8.25 -0.02 -4.86 115.22 114.00 3gvk n HIS 628 Ca -0.14 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.01 3gvk n HIS 628 Cb 0.62 -0.34 -0.14 0.00 1.12 0.00 0.00 29.99 31.26 3gvk n HIS 628 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 3gvk s THR 629 N -2.12 2.52 0.63 1.59 -1.32 -1.26 -4.84 115.64 110.83 3gvk s THR 629 Ca 0.00 -1.16 -0.11 0.00 -1.21 0.00 0.00 61.69 59.21 3gvk s THR 629 Cb 0.00 -2.00 -0.03 0.00 -1.51 0.00 0.00 72.50 68.96 3gvk s THR 629 CO 0.00 0.43 1.03 0.42 -2.21 0.00 0.00 174.62 174.29 3gvk s THR 630 N -0.81 4.62 -0.58 5.08 -4.23 -1.26 -4.36 115.64 114.11 3gvk s THR 630 Ca 0.13 0.85 0.06 0.00 -1.18 0.00 0.00 61.69 61.55 3gvk s THR 630 Cb -0.10 -3.81 0.27 0.00 1.34 0.00 0.00 72.50 70.20 3gvk s THR 630 CO 0.03 -1.11 0.74 0.18 -0.54 0.00 0.00 174.62 173.92 3gvk n LEU 631 N -2.79 3.16 -4.72 4.79 4.77 -1.26 -4.48 117.00 116.47 3gvk n LEU 631 Ca 0.06 -5.34 -0.38 0.00 -0.03 0.00 0.00 56.01 50.32 3gvk n LEU 631 Cb 0.54 -0.37 0.05 0.00 -2.33 0.00 0.00 43.42 41.31 3gvk n LEU 631 CO 0.58 2.12 0.88 -0.81 -1.33 0.00 0.00 177.39 178.83 3gvk n PRO 632 N 0.73 1.38 -3.72 3.23 -0.04 -1.24 -4.68 135.00 130.67 3gvk n PRO 632 Ca 0.28 0.52 -0.10 0.00 -0.04 0.00 0.00 63.50 64.17 3gvk n PRO 632 Cb 0.44 -2.49 -0.03 0.00 -0.04 0.00 0.00 33.50 31.38 3gvk n PRO 632 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 3gvk s PHE 633 N -1.35 -0.17 0.16 0.54 -0.12 -1.26 -1.79 117.98 113.98 3gvk s PHE 633 Ca 0.76 -0.17 0.00 0.00 -0.05 0.00 0.00 56.93 57.47 3gvk s PHE 633 Cb -0.41 0.46 -0.04 0.00 -0.63 0.00 0.00 43.02 42.39 3gvk s PHE 633 CO 0.46 -0.96 0.03 0.00 -0.05 0.00 0.00 175.22 174.71 3gvk s ALA 634 N -3.87 1.15 -0.23 1.99 0.00 -0.78 -4.82 121.76 115.20 3gvk s ALA 634 Ca 0.09 -1.56 -0.06 0.00 0.00 0.00 0.00 51.96 50.43 3gvk s ALA 634 Cb -0.02 0.73 -0.02 0.00 0.00 0.00 0.00 23.12 23.81 3gvk s ALA 634 CO -0.02 -0.41 0.03 0.21 0.00 0.00 0.00 175.76 175.57 3gvk s LYS 635 N -3.99 3.61 -0.24 0.00 2.20 -1.26 -0.48 119.74 119.58 3gvk s LYS 635 Ca 0.25 -0.51 0.01 0.00 -0.36 0.00 0.00 55.97 55.36 3gvk s LYS 635 Cb 0.07 -3.20 0.06 0.00 -1.51 0.00 0.00 37.83 33.25 3gvk s LYS 635 CO 0.04 -0.12 -0.05 0.08 -0.36 0.00 0.00 175.35 174.94 3gvk s VAL 636 N 1.39 1.53 0.00 4.02 1.01 -0.27 -5.01 120.40 123.07 3gvk s VAL 636 Ca 0.05 -1.24 0.00 0.00 0.00 0.00 0.00 61.98 60.79 3gvk s VAL 636 Cb -0.15 -1.81 0.00 0.00 0.00 0.00 0.00 36.38 34.43 3gvk s VAL 636 CO 0.02 -0.12 0.00 0.61 0.00 0.00 0.00 175.10 175.61 3gvk n GLY 637 N 4.67 3.11 0.08 4.51 0.00 -1.26 -2.36 105.19 113.93 3gvk n GLY 637 Ca -0.12 -0.23 0.14 0.00 0.00 0.00 0.00 46.02 45.81 3gvk n GLY 637 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3gvk n ASP 638 N 4.23 0.34 -4.72 1.61 8.00 -1.26 -4.87 116.55 119.88 3gvk n ASP 638 Ca 0.00 -0.44 -0.35 0.00 0.71 0.00 0.00 54.79 54.71 3gvk n ASP 638 Cb 0.00 -0.13 -0.09 0.00 -0.02 0.00 0.00 41.12 40.89 3gvk n ASP 638 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 3gvk s ASP 639 N -2.52 5.59 0.02 -2.24 1.01 -1.00 -0.84 116.67 116.70 3gvk s ASP 639 Ca 0.28 0.20 -0.26 0.00 0.71 0.00 0.00 52.55 53.48 3gvk s ASP 639 Cb 0.20 -1.73 -0.05 0.00 1.01 0.00 0.00 42.92 42.35 3gvk s ASP 639 CO 0.48 0.34 0.81 -0.76 0.21 0.00 0.00 175.17 176.25 3gvk s LEU 640 N -0.63 4.41 -0.26 1.23 1.43 0.75 -1.12 118.68 124.50 3gvk s LEU 640 Ca 0.11 1.48 -0.01 0.00 -1.03 0.00 0.00 54.13 54.68 3gvk s LEU 640 Cb -0.12 -3.31 0.04 0.00 0.03 0.00 0.00 46.19 42.83 3gvk s LEU 640 CO 0.02 -0.07 -0.05 -0.63 0.23 0.00 0.00 176.35 175.85 3gvk s ILE 641 N 0.31 2.77 0.15 -0.59 1.01 0.37 -0.86 121.20 124.36 3gvk s ILE 641 Ca 0.42 -1.23 0.11 0.00 0.00 0.00 0.00 60.65 59.95 3gvk s ILE 641 Cb -0.20 -2.49 -0.04 0.00 0.01 0.00 0.00 42.46 39.73 3gvk s ILE 641 CO 0.24 0.08 -0.26 0.00 0.00 0.00 0.00 174.94 175.00 3gvk s MET 642 N 1.27 1.44 0.02 2.79 0.23 -0.35 -1.87 119.30 122.82 3gvk s MET 642 Ca -0.03 -1.41 0.06 0.00 -1.03 0.00 0.00 55.69 53.28 3gvk s MET 642 Cb -0.18 -1.88 -0.02 0.00 -1.53 0.00 0.00 34.83 31.23 3gvk s MET 642 CO -0.04 0.43 -0.17 -0.06 -2.03 0.00 0.00 175.02 173.16 3gvk s PHE 643 N -1.26 1.50 0.08 3.16 0.08 -0.74 -1.01 117.98 119.79 3gvk s PHE 643 Ca 0.16 -0.32 -0.11 0.00 0.12 0.00 0.00 56.93 56.78 3gvk s PHE 643 Cb -0.09 -0.92 0.01 0.00 -0.57 0.00 0.00 43.02 41.44 3gvk s PHE 643 CO 0.07 0.02 0.24 0.20 -0.10 0.00 0.00 175.22 175.66 3gvk s GLY 644 N -0.80 -0.01 -0.03 4.36 0.00 -0.48 -3.59 107.32 106.77 3gvk s GLY 644 Ca 0.05 -0.40 0.00 0.00 0.00 0.00 0.00 44.72 44.38 3gvk s GLY 644 CO 0.01 -0.60 0.01 -0.56 0.00 0.00 0.00 173.10 171.95 3gvk s SER 645 N -2.67 0.42 0.62 1.64 0.01 -1.26 -0.32 113.70 112.14 3gvk s SER 645 Ca 0.02 -0.01 -0.17 0.00 1.31 0.00 0.00 55.95 57.10 3gvk s SER 645 Cb 0.03 -0.19 -0.02 0.00 0.21 0.00 0.00 66.02 66.05 3gvk s SER 645 CO -0.09 -0.11 1.17 -1.83 0.41 0.00 0.00 173.24 172.78 3gvk s GLU 646 N 1.10 2.85 0.17 12.44 -1.05 -0.95 -4.53 118.70 128.73 3gvk s GLU 646 Ca -0.09 1.67 0.17 0.00 -0.15 0.00 0.00 54.97 56.58 3gvk s GLU 646 Cb -0.13 -1.93 -0.03 0.00 -0.44 0.00 0.00 34.13 31.60 3gvk s GLU 646 CO -0.02 -1.26 1.10 0.00 0.95 0.00 0.00 175.26 176.03 3gvk h ARG 647 N 0.53 0.00 -3.81 -4.83 2.47 -1.88 -3.42 114.38 103.44 3gvk h ARG 647 Ca -0.49 0.00 -0.09 0.00 -1.26 0.00 0.00 59.98 58.14 3gvk h ARG 647 Cb 1.28 0.00 -0.13 0.00 -1.65 0.00 0.00 29.97 29.47 3gvk h ARG 647 CO 0.54 0.31 -0.32 0.00 0.56 0.00 0.00 179.97 181.07 3gvk s ALA 648 N -3.01 -0.17 0.31 0.04 0.00 -1.26 -4.64 121.76 113.03 3gvk s ALA 648 Ca 0.00 -0.71 -0.30 0.00 0.00 0.00 0.00 51.96 50.96 3gvk s ALA 648 Cb 0.08 0.70 -0.11 0.00 0.00 0.00 0.00 23.12 23.79 3gvk s ALA 648 CO 0.78 -0.60 1.57 -2.00 0.00 0.00 0.00 175.76 175.51 3gvk s GLU 649 N -3.91 4.12 -0.97 0.00 2.12 -1.26 -3.23 118.70 115.57 3gvk s GLU 649 Ca 0.11 2.57 0.00 0.00 0.36 0.00 0.00 54.97 58.01 3gvk s GLU 649 Cb 0.04 -3.01 0.00 0.00 0.26 0.00 0.00 34.13 31.41 3gvk s GLU 649 CO -0.05 -0.60 0.00 0.09 -0.54 0.00 0.00 175.26 174.15 3gvk n ASN 650 N 1.80 -3.73 0.01 -1.70 3.02 -1.26 -4.78 115.26 108.61 3gvk n ASN 650 Ca 0.06 0.07 0.11 0.00 -0.03 0.00 0.00 54.58 54.79 3gvk n ASN 650 Cb 0.38 -2.74 -0.06 0.00 -0.61 0.00 0.00 39.78 36.75 3gvk n ASN 650 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3gvk n GLU 651 N -2.22 0.22 -0.16 3.52 1.02 -1.20 -4.65 120.64 117.17 3gvk n GLU 651 Ca -0.12 -0.04 -0.08 0.00 -0.02 0.00 0.00 57.16 56.90 3gvk n GLU 651 Cb 0.52 -1.53 0.01 0.00 -0.02 0.00 0.00 31.44 30.41 3gvk n GLU 651 CO 0.00 0.00 0.00 2.35 1.18 0.00 0.00 177.13 180.66 3gvk h TRP 652 N 0.00 0.66 -4.16 -0.32 2.91 -1.91 -3.44 115.95 109.69 3gvk h TRP 652 Ca 0.00 -0.03 -0.52 0.00 1.13 0.00 0.00 58.89 59.47 3gvk h TRP 652 Cb 0.67 -0.20 0.11 0.00 -0.51 0.00 0.00 29.16 29.22 3gvk h TRP 652 CO 0.00 0.53 0.40 -1.21 -1.03 0.00 0.00 178.44 177.13 3gvk s GLU 653 N -5.70 2.77 0.28 2.65 8.01 -1.26 -4.58 118.70 120.86 3gvk s GLU 653 Ca -0.13 1.57 -0.30 0.00 0.01 0.00 0.00 54.97 56.12 3gvk s GLU 653 Cb 0.11 -1.93 -0.12 0.00 -4.31 0.00 0.00 34.13 27.88 3gvk s GLU 653 CO 0.76 -1.31 1.51 0.00 0.01 0.00 0.00 175.26 176.22 3gvk n ALA 654 N -2.18 1.93 -0.42 5.21 0.00 -1.17 -2.22 120.51 121.66 3gvk n ALA 654 Ca 0.12 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.94 3gvk n ALA 654 Cb 0.51 -2.38 0.00 0.00 0.00 0.00 0.00 19.45 17.58 3gvk n ALA 654 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gvk n GLY 655 N 2.06 2.08 3.71 0.00 0.00 0.11 -5.00 105.19 108.14 3gvk n GLY 655 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 3gvk n GLY 655 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gvk s ALA 656 N -3.38 3.49 0.59 4.61 0.00 -0.94 -4.94 121.76 121.18 3gvk s ALA 656 Ca 0.00 0.91 -0.15 0.00 0.00 0.00 0.00 51.96 52.72 3gvk s ALA 656 Cb 0.00 -3.50 -0.04 0.00 0.00 0.00 0.00 23.12 19.57 3gvk s ALA 656 CO 0.00 -0.60 1.04 -1.25 0.00 0.00 0.00 175.76 174.95 3gvk s PRO 657 N 1.40 3.46 0.41 0.00 0.04 -1.26 -4.75 135.00 134.29 3gvk s PRO 657 Ca 0.61 1.07 -0.27 0.00 0.04 0.00 0.00 61.00 62.45 3gvk s PRO 657 Cb -0.31 -2.06 -0.10 0.00 0.04 0.00 0.00 34.50 32.07 3gvk s PRO 657 CO 0.28 -0.69 1.46 -0.25 0.04 0.00 0.00 177.00 177.84 3gvk n ASP 658 N -2.10 3.55 -3.62 6.66 9.92 -1.26 -4.67 116.55 125.03 3gvk n ASP 658 Ca 0.08 1.18 -0.28 0.00 -0.53 0.00 0.00 54.79 55.24 3gvk n ASP 658 Cb 0.53 -1.61 -0.12 0.00 -0.64 0.00 0.00 41.12 39.29 3gvk n ASP 658 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 3gvk s ASP 659 N -0.28 3.13 0.50 -2.24 -1.08 -1.26 -5.11 116.67 110.33 3gvk s ASP 659 Ca 0.56 -2.90 0.04 0.00 -0.52 0.00 0.00 52.55 49.73 3gvk s ASP 659 Cb -0.47 -0.88 -0.01 0.00 -1.46 0.00 0.00 42.92 40.10 3gvk s ASP 659 CO 0.61 -0.21 0.18 -0.13 0.52 0.00 0.00 175.17 176.14 3gvk s ARG 660 N 0.05 2.21 -0.78 4.34 1.81 -1.26 -4.69 118.95 120.64 3gvk s ARG 660 Ca 0.23 -2.14 0.00 0.00 -1.72 0.00 0.00 55.73 52.10 3gvk s ARG 660 Cb -0.13 -1.83 0.00 0.00 -0.45 0.00 0.00 34.95 32.55 3gvk s ARG 660 CO -0.08 -0.39 0.00 0.66 -0.68 0.00 0.00 175.30 174.81 3gvk n TYR 661 N -1.42 0.00 -3.75 -0.53 4.01 -1.25 -4.99 117.16 109.22 3gvk n TYR 661 Ca -0.09 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.52 3gvk n TYR 661 Cb 0.66 -1.65 -0.09 0.00 -0.31 0.00 0.00 39.34 37.95 3gvk n TYR 661 CO 0.00 0.00 0.00 -1.59 -0.46 0.00 0.00 176.86 174.81 3gvk s LYS 662 N -2.36 0.57 0.32 -0.72 -2.85 -1.25 -4.88 119.74 108.57 3gvk s LYS 662 Ca 0.00 0.10 -0.29 0.00 -1.00 0.00 0.00 55.97 54.78 3gvk s LYS 662 Cb 0.00 0.26 -0.10 0.00 -2.06 0.00 0.00 37.83 35.93 3gvk s LYS 662 CO 0.00 -0.13 1.37 0.00 0.10 0.00 0.00 175.35 176.69 3gvk s ALA 663 N -0.69 3.54 0.35 0.59 0.00 -1.23 -4.42 121.76 119.91 3gvk s ALA 663 Ca -0.08 1.34 -0.06 0.00 0.00 0.00 0.00 51.96 53.16 3gvk s ALA 663 Cb -0.04 -3.52 0.02 0.00 0.00 0.00 0.00 23.12 19.58 3gvk s ALA 663 CO 0.03 -0.75 0.56 -1.13 0.00 0.00 0.00 175.76 174.47 3gvk n SER 664 N 1.08 -1.59 -3.84 0.00 3.41 -0.73 -5.01 113.62 106.93 3gvk n SER 664 Ca 0.02 -2.73 -0.28 0.00 -0.26 0.00 0.00 58.87 55.62 3gvk n SER 664 Cb 0.41 2.84 -0.12 0.00 -0.26 0.00 0.00 64.21 67.08 3gvk n SER 664 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3gvk n TYR 665 N -0.54 2.89 -1.80 7.33 4.01 -1.26 -1.12 117.16 126.67 3gvk n TYR 665 Ca -0.02 -4.22 -0.40 0.00 -0.16 0.00 0.00 57.90 53.09 3gvk n TYR 665 Cb 0.57 -0.54 0.01 0.00 -0.31 0.00 0.00 39.34 39.06 3gvk n TYR 665 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 3gvk s PRO 666 N -1.37 3.86 0.11 -0.72 0.04 -1.12 -4.60 135.00 131.21 3gvk s PRO 666 Ca 0.26 2.49 -0.24 0.00 0.04 0.00 0.00 61.00 63.55 3gvk s PRO 666 Cb -0.03 -2.79 -0.07 0.00 0.04 0.00 0.00 34.50 31.65 3gvk s PRO 666 CO -0.17 -0.70 0.73 1.03 0.04 0.00 0.00 177.00 177.92 3gvk s ARG 667 N -2.30 4.47 -0.11 4.56 0.52 -1.26 -0.92 118.95 123.91 3gvk s ARG 667 Ca 0.58 1.04 -0.01 0.00 -0.52 0.00 0.00 55.73 56.81 3gvk s ARG 667 Cb -0.45 -3.29 -0.03 0.00 0.52 0.00 0.00 34.95 31.71 3gvk s ARG 667 CO 0.59 0.51 -0.08 0.99 0.02 0.00 0.00 175.30 177.33 3gvk s THR 668 N -0.83 3.58 0.25 0.02 2.01 -0.15 -2.25 115.64 118.27 3gvk s THR 668 Ca 0.35 -0.49 0.12 0.00 0.31 0.00 0.00 61.69 61.97 3gvk s THR 668 Cb -0.22 -2.51 -0.05 0.00 0.01 0.00 0.00 72.50 69.74 3gvk s THR 668 CO 0.24 0.54 -0.21 -0.36 -0.69 0.00 0.00 174.62 174.14 3gvk s PHE 669 N -0.11 2.25 0.16 4.92 0.08 0.56 -1.74 117.98 124.11 3gvk s PHE 669 Ca 0.01 -0.35 0.05 0.00 0.12 0.00 0.00 56.93 56.76 3gvk s PHE 669 Cb -0.13 -1.01 -0.04 0.00 -0.57 0.00 0.00 43.02 41.26 3gvk s PHE 669 CO 0.03 0.64 -0.11 1.52 -0.10 0.00 0.00 175.22 177.20 3gvk s TYR 670 N -2.32 1.39 0.02 0.36 -0.85 -0.67 -1.39 117.35 113.89 3gvk s TYR 670 Ca 0.27 -0.70 -0.13 0.00 -0.52 0.00 0.00 57.07 56.00 3gvk s TYR 670 Cb -0.05 -0.69 0.02 0.00 0.38 0.00 0.00 41.96 41.62 3gvk s TYR 670 CO 0.13 0.16 0.27 0.00 -1.52 0.00 0.00 175.55 174.59 3gvk s ALA 671 N -3.18 -0.61 0.02 9.51 0.00 -0.18 -0.92 121.76 126.40 3gvk s ALA 671 Ca 0.18 0.01 0.01 0.00 0.00 0.00 0.00 51.96 52.16 3gvk s ALA 671 Cb 0.01 0.23 -0.04 0.00 0.00 0.00 0.00 23.12 23.33 3gvk s ALA 671 CO 0.02 -0.35 0.04 1.03 0.00 0.00 0.00 175.76 176.51 3gvk s ARG 672 N -2.16 2.88 -0.05 0.00 0.52 -1.26 -1.21 118.95 117.67 3gvk s ARG 672 Ca -0.08 -0.60 -0.02 0.00 -0.52 0.00 0.00 55.73 54.51 3gvk s ARG 672 Cb -0.02 -2.73 0.03 0.00 0.52 0.00 0.00 34.95 32.74 3gvk s ARG 672 CO -0.01 0.62 0.05 -1.17 0.02 0.00 0.00 175.30 174.80 3gvk s LEU 673 N -1.81 0.25 -0.15 2.53 0.20 -0.04 -4.72 118.68 114.93 3gvk s LEU 673 Ca 0.23 0.02 -0.29 0.00 0.69 0.00 0.00 54.13 54.77 3gvk s LEU 673 Cb -0.12 -0.21 -0.02 0.00 -0.43 0.00 0.00 46.19 45.42 3gvk s LEU 673 CO 0.14 -0.24 1.26 0.21 -0.29 0.00 0.00 176.35 177.43 3gvk s ASN 674 N 2.13 6.95 0.47 3.68 3.84 -1.26 -0.18 114.94 130.57 3gvk s ASN 674 Ca 0.05 1.71 0.27 0.00 0.21 0.00 0.00 52.86 55.10 3gvk s ASN 674 Cb -0.12 -2.54 0.94 0.00 -0.55 0.00 0.00 41.25 38.98 3gvk s ASN 674 CO -0.04 -0.74 1.83 -0.37 -2.79 0.00 0.00 177.10 174.98 3gvk h VAL 675 N 5.44 0.28 -0.31 -5.21 -1.51 -1.37 -2.38 116.25 111.20 3gvk h VAL 675 Ca -0.27 -0.95 -0.18 0.00 -1.23 0.00 0.00 66.70 64.07 3gvk h VAL 675 Cb 1.11 1.75 -0.00 0.00 -2.13 0.00 0.00 31.29 32.02 3gvk h VAL 675 CO 0.96 0.12 -0.49 0.78 -1.23 0.00 0.00 177.57 177.71 3gvk h ASN 676 N 0.00 0.96 0.96 4.19 -0.26 -1.92 -3.25 115.58 116.26 3gvk h ASN 676 Ca -0.00 -0.52 -0.15 0.00 -0.56 0.00 0.00 56.30 55.07 3gvk h ASN 676 Cb 0.74 -0.28 -0.02 0.00 -1.06 0.00 0.00 38.32 37.70 3gvk h ASN 676 CO 0.02 1.30 -0.72 0.78 -1.06 0.00 0.00 177.43 177.74 3gvk h ASN 677 N 0.66 0.00 -6.93 5.81 2.35 -1.91 -3.48 115.58 112.08 3gvk h ASN 677 Ca 0.03 0.00 -0.59 0.00 -0.55 0.00 0.00 56.30 55.18 3gvk h ASN 677 Cb 1.10 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 39.40 3gvk h ASN 677 CO 0.11 0.72 -0.99 1.87 -1.65 0.00 0.00 177.43 177.49 3gvk n TRP 678 N -3.48 -1.38 -3.50 1.19 -0.00 -0.91 -4.95 117.44 104.40 3gvk n TRP 678 Ca -0.00 0.27 -0.07 0.00 -0.00 0.00 0.00 57.50 57.70 3gvk n TRP 678 Cb 0.75 -2.86 -0.08 0.00 -0.00 0.00 0.00 31.31 29.12 3gvk n TRP 678 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 177.69 178.90 3gvk s ASN 679 N -3.82 -0.21 0.00 5.87 3.84 -1.26 -5.01 114.94 114.35 3gvk s ASN 679 Ca 0.32 0.73 0.23 0.00 0.21 0.00 0.00 52.86 54.36 3gvk s ASN 679 Cb -0.17 1.38 0.42 0.00 -0.55 0.00 0.00 41.25 42.33 3gvk s ASN 679 CO 0.97 -0.26 1.40 0.00 -2.79 0.00 0.00 177.10 176.42 3gvk n ALA 680 N 5.39 2.45 -0.35 1.71 0.00 -1.26 -4.54 120.51 123.91 3gvk n ALA 680 Ca -0.06 -0.83 0.10 0.00 0.00 0.00 0.00 53.44 52.64 3gvk n ALA 680 Cb 0.50 -0.89 0.28 0.00 0.00 0.00 0.00 19.45 19.34 3gvk n ALA 680 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3gvk h ASP 681 N 4.21 0.85 -0.60 0.00 3.32 -1.96 -1.56 116.42 120.68 3gvk h ASP 681 Ca 0.00 0.06 -0.12 0.00 0.02 0.00 0.00 57.03 56.99 3gvk h ASP 681 Cb 0.92 -0.10 -0.07 0.00 0.22 0.00 0.00 39.33 40.29 3gvk h ASP 681 CO 0.00 0.41 0.13 -0.90 -1.72 0.00 0.00 179.24 177.16 3gvk n ASP 682 N -4.65 4.80 -4.72 6.45 5.75 -1.26 -4.91 116.55 118.01 3gvk n ASP 682 Ca 0.20 -3.15 -0.42 0.00 -0.01 0.00 0.00 54.79 51.41 3gvk n ASP 682 Cb 0.44 -0.69 -0.01 0.00 -1.03 0.00 0.00 41.12 39.83 3gvk n ASP 682 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3gvk n ILE 683 N -0.07 1.88 -3.76 2.12 3.06 -0.59 -4.97 119.36 117.03 3gvk n ILE 683 Ca 0.34 -0.47 -0.37 0.00 -2.50 0.00 0.00 62.75 59.75 3gvk n ILE 683 Cb 1.24 -1.67 -0.11 0.00 0.54 0.00 0.00 39.64 39.64 3gvk n ILE 683 CO 0.00 0.00 0.00 -1.61 -2.50 0.00 0.00 176.55 172.44 3gvk s GLU 684 N -1.75 2.12 -0.23 9.51 2.02 -1.26 -5.06 118.70 124.05 3gvk s GLU 684 Ca 0.56 -1.73 -0.29 0.00 0.02 0.00 0.00 54.97 53.53 3gvk s GLU 684 Cb -0.55 -3.59 0.01 0.00 0.10 0.00 0.00 34.13 30.10 3gvk s GLU 684 CO 0.61 -1.03 1.05 -1.58 0.02 0.00 0.00 175.26 174.33 3gvk s TRP 685 N 1.19 3.33 -0.31 1.61 0.52 -1.26 -4.50 118.94 119.52 3gvk s TRP 685 Ca 0.06 1.46 -0.07 0.00 0.02 0.00 0.00 56.10 57.58 3gvk s TRP 685 Cb -0.23 -3.28 0.02 0.00 -1.15 0.00 0.00 33.47 28.84 3gvk s TRP 685 CO -0.03 -0.51 0.08 0.08 0.02 0.00 0.00 176.95 176.59 3gvk s VAL 686 N 3.20 3.88 -0.40 4.03 1.01 -0.10 -0.72 120.40 131.30 3gvk s VAL 686 Ca 0.44 -0.83 -0.29 0.00 0.00 0.00 0.00 61.98 61.30 3gvk s VAL 686 Cb -0.15 -3.06 0.00 0.00 0.00 0.00 0.00 36.38 33.17 3gvk s VAL 686 CO 0.06 0.01 1.51 0.21 0.00 0.00 0.00 175.10 176.89 3gvk s ASN 687 N 1.47 6.21 -0.02 3.32 2.47 0.13 -1.68 114.94 126.85 3gvk s ASN 687 Ca 0.01 0.91 0.15 0.00 0.42 0.00 0.00 52.86 54.36 3gvk s ASN 687 Cb -0.18 -2.54 -0.23 0.00 -1.45 0.00 0.00 41.25 36.86 3gvk s ASN 687 CO 0.02 -1.52 0.36 2.30 -3.72 0.00 0.00 177.10 174.54 3gvk n ILE 688 N 7.16 0.00 -3.55 -5.21 -5.35 -0.71 -2.08 119.36 109.61 3gvk n ILE 688 Ca 0.18 -0.33 -0.16 0.00 -0.27 0.00 0.00 62.75 62.17 3gvk n ILE 688 Cb 0.48 0.23 -0.06 0.00 -1.74 0.00 0.00 39.64 38.55 3gvk n ILE 688 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 3gvk s THR 689 N -3.00 0.00 -0.06 7.28 -1.32 -1.24 -4.98 115.64 112.33 3gvk s THR 689 Ca -0.05 0.00 0.03 0.00 -1.21 0.00 0.00 61.69 60.46 3gvk s THR 689 Cb 0.10 -1.00 -0.02 0.00 -1.51 0.00 0.00 72.50 70.06 3gvk s THR 689 CO 0.63 0.00 -0.14 -1.81 -2.21 0.00 0.00 174.62 171.09 3gvk s ASP 690 N -0.92 4.03 0.56 8.08 1.11 -1.26 -0.98 116.67 127.29 3gvk s ASP 690 Ca -0.07 -0.22 0.07 0.00 0.18 0.00 0.00 52.55 52.51 3gvk s ASP 690 Cb -0.01 -0.99 0.07 0.00 1.07 0.00 0.00 42.92 43.06 3gvk s ASP 690 CO 0.06 0.31 0.60 0.00 1.18 0.00 0.00 175.17 177.32 3gvk n GLN 691 N 2.53 0.65 -4.80 8.23 3.00 -0.09 -4.97 117.38 121.93 3gvk n GLN 691 Ca -0.17 -3.25 -0.33 0.00 -0.01 0.00 0.00 57.00 53.23 3gvk n GLN 691 Cb 0.52 0.07 -0.14 0.00 0.00 0.00 0.00 30.24 30.69 3gvk n GLN 691 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 3gvk s ILE 692 N -2.64 3.12 -0.23 5.09 1.01 -1.26 -2.80 121.20 123.50 3gvk s ILE 692 Ca 0.45 -0.66 -0.06 0.00 0.00 0.00 0.00 60.65 60.38 3gvk s ILE 692 Cb -0.04 -2.28 -0.03 0.00 0.01 0.00 0.00 42.46 40.13 3gvk s ILE 692 CO 0.29 0.55 0.04 -0.47 0.00 0.00 0.00 174.94 175.35 3gvk s TYR 693 N -0.13 3.07 0.02 3.97 5.04 -0.27 -1.36 117.35 127.69 3gvk s TYR 693 Ca -0.01 -0.44 -0.22 0.00 -2.44 0.00 0.00 57.07 53.97 3gvk s TYR 693 Cb -0.14 -2.17 -0.16 0.00 0.35 0.00 0.00 41.96 39.85 3gvk s TYR 693 CO 0.03 -0.30 1.32 0.37 -1.34 0.00 0.00 175.55 175.64 3gvk h GLN 694 N 7.89 0.27 0.00 4.97 -0.00 -1.86 -1.95 115.11 124.43 3gvk h GLN 694 Ca -0.38 -0.14 0.00 0.00 -0.00 0.00 0.00 58.65 58.13 3gvk h GLN 694 Cb 1.17 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.66 3gvk h GLN 694 CO 0.60 0.68 0.00 0.41 0.00 0.00 0.00 178.83 180.52 3gvk n GLY 695 N 0.20 0.62 0.22 2.39 0.00 -1.26 -3.46 105.19 103.89 3gvk n GLY 695 Ca -0.07 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.05 3gvk n GLY 695 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3gvk h GLY 696 N 0.00 0.00 -2.49 -0.02 0.00 -1.92 -3.32 103.07 95.32 3gvk h GLY 696 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 47.02 3gvk h GLY 696 CO 0.00 0.00 -0.63 -0.26 0.00 0.00 0.00 176.54 175.65 3gvk s ILE 697 N -3.64 0.51 0.26 2.60 -4.36 -1.26 -4.67 121.20 110.64 3gvk s ILE 697 Ca 0.01 -1.99 0.07 0.00 -0.26 0.00 0.00 60.65 58.47 3gvk s ILE 697 Cb 0.10 -2.45 -0.03 0.00 1.25 0.00 0.00 42.46 41.33 3gvk s ILE 697 CO 0.64 -0.15 1.59 1.62 0.24 0.00 0.00 174.94 178.88 3gvk h VAL 698 N 2.52 1.39 -4.12 8.37 3.04 -1.99 -3.40 116.25 122.07 3gvk h VAL 698 Ca -0.37 -1.97 -0.48 0.00 -1.01 0.00 0.00 66.70 62.87 3gvk h VAL 698 Cb 1.23 2.01 0.05 0.00 -2.01 0.00 0.00 31.29 32.57 3gvk h VAL 698 CO 0.60 0.57 0.39 0.20 -1.01 0.00 0.00 177.57 178.33 3gvk s ASN 699 N -6.88 6.00 -0.06 3.17 0.01 -1.26 -4.82 114.94 111.10 3gvk s ASN 699 Ca -0.03 1.95 0.03 0.00 -0.71 0.00 0.00 52.86 54.10 3gvk s ASN 699 Cb 0.12 -2.56 0.00 0.00 0.41 0.00 0.00 41.25 39.23 3gvk s ASN 699 CO 0.78 -1.02 -0.15 -0.55 -1.51 0.00 0.00 177.10 174.65 3gvk s SER 700 N -2.20 2.03 0.00 -1.22 0.15 -1.26 -4.88 113.70 106.31 3gvk s SER 700 Ca 0.67 -0.34 0.29 0.00 0.70 0.00 0.00 55.95 57.27 3gvk s SER 700 Cb -0.18 -0.76 1.20 0.00 -1.71 0.00 0.00 66.02 64.57 3gvk s SER 700 CO 0.27 0.10 1.84 0.61 1.20 0.00 0.00 173.24 177.26 3gvk n GLY 701 N 3.48 -0.75 3.73 9.45 0.00 -1.26 -4.94 105.19 114.91 3gvk n GLY 701 Ca -0.20 -0.31 -0.42 0.00 0.00 0.00 0.00 46.02 45.09 3gvk n GLY 701 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gvk s VAL 702 N -2.35 2.49 0.00 1.61 1.01 -1.26 -3.90 120.40 118.00 3gvk s VAL 702 Ca 0.32 0.38 0.00 0.00 0.00 0.00 0.00 61.98 62.68 3gvk s VAL 702 Cb 0.20 -3.24 0.00 0.00 0.00 0.00 0.00 36.38 33.34 3gvk s VAL 702 CO 0.45 0.05 0.00 0.61 0.00 0.00 0.00 175.10 176.20 3gvk n GLY 703 N 2.93 0.42 3.98 4.51 0.00 0.19 -4.73 105.19 112.49 3gvk n GLY 703 Ca 0.10 -0.86 -0.27 0.00 0.00 0.00 0.00 46.02 45.00 3gvk n GLY 703 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3gvk n VAL 704 N 0.00 -0.97 -0.98 1.61 0.24 -1.26 -1.68 118.33 115.28 3gvk n VAL 704 Ca 0.00 -0.41 0.00 0.00 -2.04 0.00 0.00 64.34 61.89 3gvk n VAL 704 Cb 0.00 -0.93 0.00 0.00 -1.47 0.00 0.00 33.84 31.44 3gvk n VAL 704 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3gvk n GLY 705 N -2.23 1.69 3.32 7.63 0.00 -1.26 -0.99 105.19 113.35 3gvk n GLY 705 Ca -0.24 -1.86 -0.14 0.00 0.00 0.00 0.00 46.02 43.78 3gvk n GLY 705 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3gvk s SER 706 N -1.00 -0.32 -0.05 1.61 0.15 0.28 -3.26 113.70 111.12 3gvk s SER 706 Ca 0.00 0.21 0.03 0.00 0.70 0.00 0.00 55.95 56.89 3gvk s SER 706 Cb 0.00 0.39 0.01 0.00 -1.71 0.00 0.00 66.02 64.71 3gvk s SER 706 CO 0.00 -0.54 -0.13 -0.69 1.20 0.00 0.00 173.24 173.08 3gvk s VAL 707 N -1.59 1.16 0.11 4.45 1.01 -1.26 -0.76 120.40 123.52 3gvk s VAL 707 Ca -0.11 -0.54 0.04 0.00 0.00 0.00 0.00 61.98 61.37 3gvk s VAL 707 Cb -0.03 -1.03 -0.04 0.00 0.00 0.00 0.00 36.38 35.28 3gvk s VAL 707 CO 0.04 0.35 -0.10 0.68 0.00 0.00 0.00 175.10 176.07 3gvk s VAL 708 N 0.34 1.00 -0.12 2.92 -7.23 -0.67 -4.80 120.40 111.84 3gvk s VAL 708 Ca -0.08 -1.72 -0.00 0.00 -1.81 0.00 0.00 61.98 58.37 3gvk s VAL 708 Cb -0.13 -1.45 -0.02 0.00 0.56 0.00 0.00 36.38 35.34 3gvk s VAL 708 CO 0.02 -0.58 -0.11 -0.69 -0.31 0.00 0.00 175.10 173.43 3gvk s VAL 709 N -2.58 3.29 -0.09 1.32 1.01 -1.26 -0.11 120.40 121.97 3gvk s VAL 709 Ca 0.08 -0.59 0.00 0.00 0.00 0.00 0.00 61.98 61.47 3gvk s VAL 709 Cb -0.02 -2.38 0.02 0.00 0.00 0.00 0.00 36.38 34.00 3gvk s VAL 709 CO 0.00 0.53 -0.08 -0.75 0.00 0.00 0.00 175.10 174.81 3gvk s LYS 710 N 0.08 1.44 5.61 2.72 2.20 -0.64 -4.92 119.74 126.23 3gvk s LYS 710 Ca -0.04 -0.26 0.00 0.00 -0.36 0.00 0.00 55.97 55.31 3gvk s LYS 710 Cb -0.14 -1.40 0.00 0.00 -1.51 0.00 0.00 37.83 34.77 3gvk s LYS 710 CO 0.04 -0.16 0.00 -0.25 -0.36 0.00 0.00 175.35 174.62 3gvk n ASP 711 N 4.51 0.00 -2.07 1.43 8.00 -1.26 -1.87 116.55 125.29 3gvk n ASP 711 Ca -0.17 0.00 -0.22 0.00 0.71 0.00 0.00 54.79 55.11 3gvk n ASP 711 Cb 0.51 0.00 0.17 0.00 -0.02 0.00 0.00 41.12 41.78 3gvk n ASP 711 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3gvk n ASN 712 N 4.69 3.92 -4.15 -2.24 3.02 -1.26 -4.92 115.26 114.33 3gvk n ASN 712 Ca 0.00 -3.66 -0.22 0.00 -0.03 0.00 0.00 54.58 50.67 3gvk n ASN 712 Cb 0.00 -0.82 -0.14 0.00 -0.61 0.00 0.00 39.78 38.21 3gvk n ASN 712 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3gvk s TYR 713 N -3.35 1.38 0.01 3.10 2.02 -0.78 -0.74 117.35 118.98 3gvk s TYR 713 Ca 0.56 -0.31 0.02 0.00 -0.37 0.00 0.00 57.07 56.96 3gvk s TYR 713 Cb 0.47 -0.85 -0.04 0.00 -0.40 0.00 0.00 41.96 41.15 3gvk s TYR 713 CO 0.08 0.02 0.00 -1.50 -1.57 0.00 0.00 175.55 172.58 3gvk s ILE 714 N -0.61 4.16 -0.08 2.71 2.07 0.48 -1.63 121.20 128.29 3gvk s ILE 714 Ca 0.04 -0.63 0.01 0.00 -1.41 0.00 0.00 60.65 58.67 3gvk s ILE 714 Cb -0.07 -2.87 0.02 0.00 0.13 0.00 0.00 42.46 39.67 3gvk s ILE 714 CO 0.01 0.35 -0.11 -0.31 -1.91 0.00 0.00 174.94 172.97 3gvk s TYR 715 N -1.11 1.52 -0.30 3.50 2.02 0.84 -0.94 117.35 122.88 3gvk s TYR 715 Ca 0.20 -0.64 -0.01 0.00 -0.37 0.00 0.00 57.07 56.25 3gvk s TYR 715 Cb -0.12 -1.15 0.06 0.00 -0.40 0.00 0.00 41.96 40.35 3gvk s TYR 715 CO 0.11 -0.37 0.00 -0.47 -1.57 0.00 0.00 175.55 173.25 3gvk s TYR 716 N 1.02 3.30 -0.25 2.71 5.04 -0.37 -1.67 117.35 127.12 3gvk s TYR 716 Ca -0.08 -1.99 -0.11 0.00 -2.44 0.00 0.00 57.07 52.46 3gvk s TYR 716 Cb -0.15 -2.19 -0.05 0.00 0.35 0.00 0.00 41.96 39.92 3gvk s TYR 716 CO -0.01 -0.83 0.18 -1.64 -1.34 0.00 0.00 175.55 171.92 3gvk s MET 717 N 1.22 4.04 0.25 4.97 -1.94 0.06 -0.84 119.30 127.06 3gvk s MET 717 Ca -0.04 -0.26 -0.18 0.00 -1.71 0.00 0.00 55.69 53.49 3gvk s MET 717 Cb -0.20 -3.57 0.02 0.00 2.01 0.00 0.00 34.83 33.08 3gvk s MET 717 CO -0.02 -0.01 0.61 -0.59 -0.01 0.00 0.00 175.02 175.00 3gvk s PHE 718 N 1.27 -0.05 0.36 -0.03 -0.12 -0.27 -0.55 117.98 118.59 3gvk s PHE 718 Ca 0.08 -0.35 -0.08 0.00 -0.05 0.00 0.00 56.93 56.52 3gvk s PHE 718 Cb -0.14 0.50 -0.06 0.00 -0.63 0.00 0.00 43.02 42.69 3gvk s PHE 718 CO 0.06 -1.09 0.69 0.20 -0.05 0.00 0.00 175.22 175.03 3gvk s GLY 719 N -2.93 1.92 -0.04 1.99 0.00 -0.68 0.01 107.32 107.60 3gvk s GLY 719 Ca 0.13 -0.33 -0.27 0.00 0.00 0.00 0.00 44.72 44.25 3gvk s GLY 719 CO 0.05 -0.17 0.58 -0.32 0.00 0.00 0.00 173.10 173.24 3gvk s GLY 720 N -3.15 -0.47 0.29 0.20 0.00 -0.29 -0.64 107.32 103.27 3gvk s GLY 720 Ca 0.49 1.05 0.03 0.00 0.00 0.00 0.00 44.72 46.29 3gvk s GLY 720 CO 0.31 0.73 0.28 1.18 0.00 0.00 0.00 173.10 175.59 3gvk n GLU 721 N 0.97 0.98 -3.61 2.90 1.02 -0.46 -1.31 120.64 121.14 3gvk n GLU 721 Ca -0.20 -1.72 -0.16 0.00 -0.02 0.00 0.00 57.16 55.07 3gvk n GLU 721 Cb 0.57 0.08 -0.05 0.00 -0.02 0.00 0.00 31.44 32.02 3gvk n GLU 721 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3gvk n ASP 722 N -2.17 0.37 -0.06 1.62 5.68 -1.23 -4.04 116.55 116.72 3gvk n ASP 722 Ca 0.02 -2.51 0.15 0.00 -0.50 0.00 0.00 54.79 51.96 3gvk n ASP 722 Cb 0.32 0.92 0.87 0.00 -1.14 0.00 0.00 41.12 42.09 3gvk n ASP 722 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 3gvk n HIS 723 N -0.54 0.00 -2.63 2.11 8.25 -1.26 -4.15 115.22 116.99 3gvk n HIS 723 Ca 0.00 -0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.03 3gvk n HIS 723 Cb 0.42 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.51 3gvk n HIS 723 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3gvk s PHE 724 N -2.00 2.93 0.30 4.41 0.08 -1.26 -5.01 117.98 117.43 3gvk s PHE 724 Ca 0.45 0.84 -0.29 0.00 0.12 0.00 0.00 56.93 58.05 3gvk s PHE 724 Cb 0.21 -4.16 -0.11 0.00 -0.57 0.00 0.00 43.02 38.40 3gvk s PHE 724 CO 0.35 -1.10 1.45 1.21 -0.10 0.00 0.00 175.22 177.04 3gvk s ASN 725 N 2.19 6.56 0.11 1.36 3.84 -1.26 -4.36 114.94 123.38 3gvk s ASN 725 Ca 0.46 2.81 0.24 0.00 0.21 0.00 0.00 52.86 56.57 3gvk s ASN 725 Cb -0.09 -2.64 0.93 0.00 -0.55 0.00 0.00 41.25 38.90 3gvk s ASN 725 CO 0.26 -0.75 1.73 -0.81 -2.79 0.00 0.00 177.10 174.75 3gvk n PRO 726 N 1.61 0.11 -2.82 0.43 -0.04 -1.26 -4.77 135.00 128.27 3gvk n PRO 726 Ca 0.04 0.21 -0.20 0.00 -0.04 0.00 0.00 63.50 63.52 3gvk n PRO 726 Cb 0.40 -1.66 0.02 0.00 -0.04 0.00 0.00 33.50 32.22 3gvk n PRO 726 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 3gvk n TRP 727 N -1.85 -1.57 -0.25 0.54 5.03 -1.26 -4.69 117.44 113.39 3gvk n TRP 727 Ca 0.05 0.37 -0.05 0.00 3.03 0.00 0.00 57.50 60.89 3gvk n TRP 727 Cb 0.30 -4.02 0.05 0.00 -1.03 0.00 0.00 31.31 26.61 3gvk n TRP 727 CO 0.00 0.00 0.00 1.15 -0.03 0.00 0.00 177.69 178.81 3gvk h THR 728 N -0.99 1.20 -3.34 -0.99 2.02 -1.90 0.12 112.91 109.03 3gvk h THR 728 Ca -0.47 -0.44 -0.77 0.00 0.77 0.00 0.00 66.41 65.50 3gvk h THR 728 Cb 1.33 0.24 -0.25 0.00 -1.74 0.00 0.00 68.15 67.73 3gvk h THR 728 CO 0.51 0.21 -0.12 -0.31 0.37 0.00 0.00 175.52 176.18 3gvk s TYR 729 N -5.98 3.42 -3.61 3.16 2.02 -1.26 -3.69 117.35 111.41 3gvk s TYR 729 Ca -0.13 -1.53 0.00 0.00 -0.37 0.00 0.00 57.07 55.04 3gvk s TYR 729 Cb 0.14 -3.80 0.00 0.00 -0.40 0.00 0.00 41.96 37.90 3gvk s TYR 729 CO 0.78 -1.01 0.00 0.41 -1.57 0.00 0.00 175.55 174.16 3gvk n GLY 730 N 4.82 0.25 0.29 0.71 0.00 -1.21 -4.96 105.19 105.09 3gvk n GLY 730 Ca -0.05 -1.21 0.12 0.00 0.00 0.00 0.00 46.02 44.88 3gvk n GLY 730 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3gvk n ASP 731 N 0.00 0.89 -2.67 1.61 5.68 -1.21 -4.15 116.55 116.71 3gvk n ASP 731 Ca 0.00 -1.46 -0.17 0.00 -0.50 0.00 0.00 54.79 52.66 3gvk n ASP 731 Cb 0.00 -0.04 0.01 0.00 -1.14 0.00 0.00 41.12 39.96 3gvk n ASP 731 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 3gvk n ASN 732 N -0.24 2.61 0.26 -1.12 5.15 0.40 -4.85 115.26 117.48 3gvk n ASN 732 Ca 0.18 -3.12 0.12 0.00 -0.60 0.00 0.00 54.58 51.15 3gvk n ASN 732 Cb 0.22 -0.52 0.72 0.00 -0.53 0.00 0.00 39.78 39.67 3gvk n ASN 732 CO 0.00 0.00 0.00 0.77 1.40 0.00 0.00 177.26 179.43 3gvk h SER 733 N 2.86 0.00 0.60 1.20 4.64 -1.63 -0.81 113.55 120.41 3gvk h SER 733 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 3gvk h SER 733 Cb 1.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 3gvk h SER 733 CO 0.63 0.11 0.00 0.00 -0.87 0.00 0.00 176.83 176.70 3gvk n ALA 734 N -2.34 1.56 -2.42 5.18 0.00 -1.26 -4.90 120.51 116.33 3gvk n ALA 734 Ca -0.02 0.09 -0.18 0.00 0.00 0.00 0.00 53.44 53.33 3gvk n ALA 734 Cb 0.21 -1.36 -0.00 0.00 0.00 0.00 0.00 19.45 18.30 3gvk n ALA 734 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3gvk n LYS 735 N -2.17 -1.84 -1.79 0.00 5.02 -0.31 -4.94 118.16 112.14 3gvk n LYS 735 Ca 0.02 0.83 -0.42 0.00 -2.02 0.00 0.00 58.31 56.71 3gvk n LYS 735 Cb 0.19 -5.31 -0.03 0.00 -0.02 0.00 0.00 35.03 29.86 3gvk n LYS 735 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3gvk s ASP 736 N -2.30 6.17 0.59 4.39 -1.08 -1.26 -4.83 116.67 118.34 3gvk s ASP 736 Ca 0.04 2.17 0.33 0.00 -0.52 0.00 0.00 52.55 54.57 3gvk s ASP 736 Cb -0.02 -2.53 1.83 0.00 -1.46 0.00 0.00 42.92 40.75 3gvk s ASP 736 CO 0.05 -1.35 2.21 -0.65 0.52 0.00 0.00 175.17 175.95 3gvk h PRO 737 N 11.80 0.00 -0.33 4.34 0.11 -1.92 -3.00 132.00 142.99 3gvk h PRO 737 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3gvk h PRO 737 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3gvk h PRO 737 CO 0.96 0.04 0.00 1.19 -0.21 0.00 0.00 178.00 179.98 3gvk n PHE 738 N -3.53 0.43 -3.59 0.65 3.72 -1.26 -3.31 117.46 110.57 3gvk n PHE 738 Ca -0.02 -0.22 -0.37 0.00 -0.05 0.00 0.00 57.45 56.79 3gvk n PHE 738 Cb 0.14 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.63 3gvk n PHE 738 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 3gvk s LYS 739 N -1.57 3.79 3.03 -1.08 1.02 -1.13 -4.93 119.74 118.87 3gvk s LYS 739 Ca 0.35 0.25 0.00 0.00 0.02 0.00 0.00 55.97 56.59 3gvk s LYS 739 Cb 0.20 -3.15 0.00 0.00 -0.52 0.00 0.00 37.83 34.36 3gvk s LYS 739 CO 0.28 0.67 0.00 0.43 -0.92 0.00 0.00 175.35 175.80 3gvk n SER 740 N 1.55 0.00 -1.20 2.83 7.64 -1.26 -1.43 113.62 121.76 3gvk n SER 740 Ca -0.13 0.00 0.09 0.00 1.01 0.00 0.00 58.87 59.83 3gvk n SER 740 Cb 0.53 0.00 0.27 0.00 -1.01 0.00 0.00 64.21 64.00 3gvk n SER 740 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 3gvk n ASP 741 N 2.73 3.49 0.00 6.43 8.00 -1.26 -5.04 116.55 130.89 3gvk n ASP 741 Ca 0.00 -2.16 0.00 0.00 0.71 0.00 0.00 54.79 53.34 3gvk n ASP 741 Cb 0.00 -0.45 0.00 0.00 -0.02 0.00 0.00 41.12 40.65 3gvk n ASP 741 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3gvk n GLY 742 N 1.22 2.68 3.63 0.44 0.00 -0.51 -4.64 105.19 108.01 3gvk n GLY 742 Ca 0.20 -0.29 -0.35 0.00 0.00 0.00 0.00 46.02 45.59 3gvk n GLY 742 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3gvk s HIS 743 N 0.00 3.22 0.07 1.61 3.76 0.06 -4.16 115.29 119.85 3gvk s HIS 743 Ca 0.00 0.05 0.29 0.00 -0.15 0.00 0.00 55.06 55.25 3gvk s HIS 743 Cb 0.00 -2.00 1.10 0.00 1.11 0.00 0.00 32.58 32.79 3gvk s HIS 743 CO 0.00 0.20 1.89 -1.00 -0.85 0.00 0.00 174.74 174.98 3gvk h PRO 744 N 6.36 0.00 -6.55 8.40 0.13 -1.82 -3.42 132.00 135.10 3gvk h PRO 744 Ca -0.39 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.21 3gvk h PRO 744 Cb 1.18 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.33 3gvk h PRO 744 CO 0.66 0.09 0.77 -1.12 -0.23 0.00 0.00 178.00 178.17 3gvk s SER 745 N -5.93 6.77 0.21 1.44 0.01 -1.26 -3.52 113.70 111.42 3gvk s SER 745 Ca 0.01 2.38 -0.09 0.00 1.31 0.00 0.00 55.95 59.57 3gvk s SER 745 Cb 0.09 -2.59 -0.01 0.00 0.21 0.00 0.00 66.02 63.72 3gvk s SER 745 CO 0.59 -0.70 0.33 -1.81 0.41 0.00 0.00 173.24 172.06 3gvk s ASP 746 N 1.19 0.01 0.13 2.44 1.01 -0.42 -1.83 116.67 119.20 3gvk s ASP 746 Ca 0.66 -1.02 -0.09 0.00 0.71 0.00 0.00 52.55 52.81 3gvk s ASP 746 Cb -0.38 0.48 -0.06 0.00 1.01 0.00 0.00 42.92 43.97 3gvk s ASP 746 CO 0.30 -0.98 0.44 -0.76 0.21 0.00 0.00 175.17 174.38 3gvk s LEU 747 N -3.04 4.29 0.23 1.23 1.43 -1.26 -1.13 118.68 120.43 3gvk s LEU 747 Ca 0.25 0.80 0.05 0.00 -1.03 0.00 0.00 54.13 54.19 3gvk s LEU 747 Cb 0.03 -3.24 -0.05 0.00 0.03 0.00 0.00 46.19 42.96 3gvk s LEU 747 CO 0.07 0.08 -0.06 -0.31 0.23 0.00 0.00 176.35 176.37 3gvk s TYR 748 N -1.56 1.65 -0.05 0.29 2.02 0.10 -0.85 117.35 118.96 3gvk s TYR 748 Ca 0.38 -0.78 -0.02 0.00 -0.37 0.00 0.00 57.07 56.28 3gvk s TYR 748 Cb -0.13 -0.91 0.03 0.00 -0.40 0.00 0.00 41.96 40.56 3gvk s TYR 748 CO 0.20 0.13 0.08 0.00 -1.57 0.00 0.00 175.55 174.40 3gvk s TYR 750 N 2.03 3.27 -0.30 0.00 5.04 -0.02 -0.87 117.35 126.49 3gvk s TYR 750 Ca 0.02 0.56 -0.09 0.00 -2.44 0.00 0.00 57.07 55.12 3gvk s TYR 750 Cb -0.12 -2.65 -0.01 0.00 0.35 0.00 0.00 41.96 39.53 3gvk s TYR 750 CO -0.04 -0.23 0.14 0.21 -1.34 0.00 0.00 175.55 174.29 3gvk s LYS 751 N 2.12 3.37 -0.07 4.97 2.20 0.12 -1.24 119.74 131.21 3gvk s LYS 751 Ca 0.19 -0.69 0.05 0.00 -0.36 0.00 0.00 55.97 55.15 3gvk s LYS 751 Cb -0.16 -3.54 -0.00 0.00 -1.51 0.00 0.00 37.83 32.62 3gvk s LYS 751 CO 0.09 -0.39 -0.23 1.41 -0.36 0.00 0.00 175.35 175.87 3gvk s MET 752 N 1.61 2.51 0.10 4.03 1.75 -0.11 -1.12 119.30 128.06 3gvk s MET 752 Ca 0.05 -0.82 -0.30 0.00 -1.25 0.00 0.00 55.69 53.37 3gvk s MET 752 Cb -0.17 -2.05 -0.06 0.00 2.84 0.00 0.00 34.83 35.39 3gvk s MET 752 CO 0.06 0.28 1.21 0.21 -0.65 0.00 0.00 175.02 176.13 3gvk s LYS 753 N 0.07 4.44 0.00 4.11 2.20 0.04 -0.39 119.74 130.21 3gvk s LYS 753 Ca -0.09 1.82 0.00 0.00 -0.36 0.00 0.00 55.97 57.34 3gvk s LYS 753 Cb -0.15 -3.31 0.00 0.00 -1.51 0.00 0.00 37.83 32.86 3gvk s LYS 753 CO 0.05 -0.23 0.46 0.44 -0.36 0.00 0.00 175.35 175.71 3gvk n ILE 754 N 3.57 0.18 -3.77 5.43 -5.35 0.08 -4.88 119.36 114.62 3gvk n ILE 754 Ca 0.08 -0.41 -0.06 0.00 -0.27 0.00 0.00 62.75 62.09 3gvk n ILE 754 Cb 0.46 1.17 -0.02 0.00 -1.74 0.00 0.00 39.64 39.51 3gvk n ILE 754 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3gvk s GLY 755 N -0.18 -0.20 0.47 3.28 0.00 -1.11 -4.97 107.32 104.61 3gvk s GLY 755 Ca 0.00 -0.03 -0.24 0.00 0.00 0.00 0.00 44.72 44.45 3gvk s GLY 755 CO 0.00 -0.02 1.31 -1.05 0.00 0.00 0.00 173.10 173.35 3gvk n PRO 756 N -0.45 1.91 -3.75 2.90 -0.02 -1.26 -4.86 135.00 129.46 3gvk n PRO 756 Ca -0.06 0.68 -0.37 0.00 -2.02 0.00 0.00 63.50 61.74 3gvk n PRO 756 Cb 0.60 -2.48 -0.11 0.00 -0.02 0.00 0.00 33.50 31.49 3gvk n PRO 756 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3gvk s ASP 757 N -0.63 5.31 -0.05 2.55 -1.08 -1.26 -4.84 116.67 116.67 3gvk s ASP 757 Ca 0.64 -2.02 0.09 0.00 -0.52 0.00 0.00 52.55 50.75 3gvk s ASP 757 Cb -0.47 -1.85 0.36 0.00 -1.46 0.00 0.00 42.92 39.50 3gvk s ASP 757 CO 0.55 -0.56 1.21 0.59 0.52 0.00 0.00 175.17 177.48 3gvk n ASN 758 N 4.63 2.57 -4.51 -0.34 4.13 -1.26 -4.84 115.26 115.63 3gvk n ASN 758 Ca -0.03 -2.20 -0.27 0.00 1.68 0.00 0.00 54.58 53.76 3gvk n ASN 758 Cb 0.41 -0.40 -0.10 0.00 -1.54 0.00 0.00 39.78 38.15 3gvk n ASN 758 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 3gvk s ARG 759 N -1.67 1.85 0.71 3.52 0.52 -1.26 -5.13 118.95 117.49 3gvk s ARG 759 Ca 0.26 -1.39 -0.15 0.00 -0.52 0.00 0.00 55.73 53.93 3gvk s ARG 759 Cb 0.16 -2.03 0.03 0.00 0.52 0.00 0.00 34.95 33.63 3gvk s ARG 759 CO 0.13 0.42 1.20 0.08 0.02 0.00 0.00 175.30 177.14 3gvk s VAL 760 N -1.74 2.43 0.45 3.52 1.01 -1.26 -4.93 120.40 119.87 3gvk s VAL 760 Ca 0.24 0.22 -0.25 0.00 0.00 0.00 0.00 61.98 62.18 3gvk s VAL 760 Cb -0.08 -2.81 -0.09 0.00 0.00 0.00 0.00 36.38 33.40 3gvk s VAL 760 CO 0.13 -0.11 1.43 -0.24 0.00 0.00 0.00 175.10 176.32 3gvk n SER 761 N -2.56 3.32 -0.72 3.32 2.88 -1.26 -4.93 113.62 113.67 3gvk n SER 761 Ca 0.13 1.13 0.11 0.00 -1.33 0.00 0.00 58.87 58.91 3gvk n SER 761 Cb 0.50 -1.60 0.05 0.00 -0.75 0.00 0.00 64.21 62.42 3gvk n SER 761 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3gvk n ARG 762 N -0.14 1.79 -1.94 -1.46 3.00 -1.26 -5.02 116.66 111.63 3gvk n ARG 762 Ca 0.05 -1.48 -0.41 0.00 -0.01 0.00 0.00 57.85 56.00 3gvk n ARG 762 Cb 0.41 -1.43 -0.01 0.00 0.00 0.00 0.00 32.46 31.43 3gvk n ARG 762 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 3gvk s ASP 763 N -2.06 6.54 0.08 0.55 1.11 -1.26 -5.03 116.67 116.60 3gvk s ASP 763 Ca 0.23 2.86 0.02 0.00 0.18 0.00 0.00 52.55 55.83 3gvk s ASP 763 Cb 0.18 -2.65 -0.04 0.00 1.07 0.00 0.00 42.92 41.48 3gvk s ASP 763 CO 0.38 -0.73 -0.07 0.72 1.18 0.00 0.00 175.17 176.65 3gvk s PHE 764 N -0.89 0.82 -0.08 4.23 -0.12 -1.26 -5.13 117.98 115.55 3gvk s PHE 764 Ca 0.53 -0.83 -0.20 0.00 -0.05 0.00 0.00 56.93 56.39 3gvk s PHE 764 Cb -0.44 -0.48 -0.04 0.00 -0.63 0.00 0.00 43.02 41.43 3gvk s PHE 764 CO 0.56 -0.15 0.55 0.50 -0.05 0.00 0.00 175.22 176.64 3gvk s ARG 765 N -3.31 4.35 -0.41 1.99 3.52 -1.26 -5.04 118.95 118.79 3gvk s ARG 765 Ca 0.06 0.61 -0.29 0.00 -0.13 0.00 0.00 55.73 55.99 3gvk s ARG 765 Cb 0.02 -3.42 0.02 0.00 -1.56 0.00 0.00 34.95 30.02 3gvk s ARG 765 CO -0.04 0.19 1.13 -0.47 -0.81 0.00 0.00 175.30 175.30 3gvk s TYR 766 N 0.47 2.93 0.00 5.12 5.04 -1.26 -4.86 117.35 124.80 3gvk s TYR 766 Ca 0.30 0.91 0.00 0.00 -2.44 0.00 0.00 57.07 55.84 3gvk s TYR 766 Cb -0.16 -4.12 0.00 0.00 0.35 0.00 0.00 41.96 38.02 3gvk s TYR 766 CO 0.14 -1.11 0.88 0.41 -1.34 0.00 0.00 175.55 174.53 3gvk n GLY 767 N 4.45 1.92 3.89 8.97 0.00 -1.26 -5.07 105.19 118.09 3gvk n GLY 767 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 3gvk n GLY 767 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gvk s ALA 768 N -0.77 3.29 -0.10 4.61 0.00 -1.26 -5.04 121.76 122.48 3gvk s ALA 768 Ca 0.00 -0.28 -0.30 0.00 0.00 0.00 0.00 51.96 51.38 3gvk s ALA 768 Cb 0.00 -2.78 -0.03 0.00 0.00 0.00 0.00 23.12 20.31 3gvk s ALA 768 CO 0.00 -0.35 1.35 0.08 0.00 0.00 0.00 175.76 176.84 3gvk s VAL 769 N -2.75 4.06 -0.05 0.00 1.01 -1.26 -4.98 120.40 116.43 3gvk s VAL 769 Ca 0.51 1.32 -0.30 0.00 0.00 0.00 0.00 61.98 63.52 3gvk s VAL 769 Cb -0.10 -3.85 -0.06 0.00 0.00 0.00 0.00 36.38 32.36 3gvk s VAL 769 CO 0.43 -0.08 1.79 -2.84 0.00 0.00 0.00 175.10 174.40 3gvk s PRO 770 N 3.25 4.06 -0.09 2.72 0.02 -1.26 -4.85 135.00 138.84 3gvk s PRO 770 Ca 0.60 2.27 0.22 0.00 0.02 0.00 0.00 61.00 64.11 3gvk s PRO 770 Cb -0.26 -4.08 0.44 0.00 0.02 0.00 0.00 34.50 30.63 3gvk s PRO 770 CO 0.20 -1.01 1.17 -1.71 -0.33 0.00 0.00 177.00 175.32 3gvk n ASN 771 N 7.69 1.40 -0.13 2.53 5.15 -1.26 -4.78 115.26 125.86 3gvk n ASN 771 Ca 0.19 -2.40 -0.25 0.00 -0.60 0.00 0.00 54.58 51.52 3gvk n ASN 771 Cb 0.43 -0.37 -0.11 0.00 -0.53 0.00 0.00 39.78 39.19 3gvk n ASN 771 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 3gvk n ARG 772 N -0.02 0.62 0.19 1.20 5.12 -1.26 -3.98 116.66 118.52 3gvk n ARG 772 Ca 0.10 0.23 -0.14 0.00 -1.93 0.00 0.00 57.85 56.11 3gvk n ARG 772 Cb 1.00 -1.52 -0.08 0.00 -1.16 0.00 0.00 32.46 30.70 3gvk n ARG 772 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3gvk h ALA 773 N -0.54 -0.44 -2.98 7.54 0.00 -2.01 -3.36 119.26 117.46 3gvk h ALA 773 Ca -0.63 -0.14 -0.61 0.00 0.00 0.00 0.00 54.91 53.52 3gvk h ALA 773 Cb 1.73 0.17 -0.40 0.00 0.00 0.00 0.00 17.79 19.29 3gvk h ALA 773 CO -0.27 -0.68 -0.73 0.08 0.00 0.00 0.00 179.25 177.65 3gvk s VAL 774 N -5.53 1.58 -0.24 0.00 1.01 -1.26 -5.10 120.40 110.86 3gvk s VAL 774 Ca -0.15 -2.84 -0.29 0.00 0.00 0.00 0.00 61.98 58.71 3gvk s VAL 774 Cb 0.04 -2.10 -0.03 0.00 0.00 0.00 0.00 36.38 34.29 3gvk s VAL 774 CO 0.61 -0.93 1.88 -2.84 0.00 0.00 0.00 175.10 173.81 3gvk s PRO 775 N 0.05 3.46 -0.07 2.72 0.02 -1.26 -4.84 135.00 135.09 3gvk s PRO 775 Ca 0.20 1.74 0.02 0.00 0.02 0.00 0.00 61.00 62.98 3gvk s PRO 775 Cb -0.19 -4.20 -0.02 0.00 0.02 0.00 0.00 34.50 30.10 3gvk s PRO 775 CO -0.04 -1.71 -0.13 0.08 -0.33 0.00 0.00 177.00 174.88 3gvk s VAL 776 N 6.63 3.12 -0.03 3.83 1.01 -1.26 -3.97 120.40 129.74 3gvk s VAL 776 Ca 0.84 -0.68 0.01 0.00 0.00 0.00 0.00 61.98 62.14 3gvk s VAL 776 Cb -0.27 -2.25 0.02 0.00 0.00 0.00 0.00 36.38 33.88 3gvk s VAL 776 CO 0.34 0.57 -0.01 -0.36 0.00 0.00 0.00 175.10 175.63 3gvk s PHE 777 N -0.43 0.42 -0.19 5.22 0.08 0.02 -4.91 117.98 118.18 3gvk s PHE 777 Ca 0.05 -0.06 -0.29 0.00 0.12 0.00 0.00 56.93 56.76 3gvk s PHE 777 Cb -0.12 -0.45 -0.03 0.00 -0.57 0.00 0.00 43.02 41.85 3gvk s PHE 777 CO 0.02 -0.13 1.55 -0.06 -0.10 0.00 0.00 175.22 176.50 3gvk s PHE 778 N 0.86 2.22 1.18 0.36 0.08 -1.26 -0.06 117.98 121.36 3gvk s PHE 778 Ca -0.09 0.57 -0.19 0.00 0.12 0.00 0.00 56.93 57.34 3gvk s PHE 778 Cb -0.13 -3.90 0.28 0.00 -0.57 0.00 0.00 43.02 38.69 3gvk s PHE 778 CO -0.01 -2.84 1.12 0.16 -0.10 0.00 0.00 175.22 173.55 3gvk s ASP 779 N 3.67 1.15 0.22 1.36 1.47 -0.24 -4.82 116.67 119.49 3gvk s ASP 779 Ca 0.68 0.63 0.21 0.00 1.18 0.00 0.00 52.55 55.25 3gvk s ASP 779 Cb -0.25 -0.89 0.92 0.00 -0.34 0.00 0.00 42.92 42.36 3gvk s ASP 779 CO 0.27 -3.98 1.63 0.35 0.68 0.00 0.00 175.17 174.12 3gvk n THR 780 N -4.66 0.95 0.69 2.11 -2.24 -1.26 -0.95 114.28 108.92 3gvk n THR 780 Ca 0.13 0.35 0.11 0.00 -2.27 0.00 0.00 64.05 62.36 3gvk n THR 780 Cb 0.59 -1.27 0.28 0.00 -2.10 0.00 0.00 70.33 67.83 3gvk n THR 780 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3gvk n ASN 781 N -2.10 2.64 0.00 3.42 5.15 -1.26 -4.96 115.26 118.15 3gvk n ASN 781 Ca 0.01 -1.89 0.00 0.00 -0.60 0.00 0.00 54.58 52.11 3gvk n ASN 781 Cb 0.17 -0.21 0.00 0.00 -0.53 0.00 0.00 39.78 39.21 3gvk n ASN 781 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3gvk n GLY 782 N 1.33 0.44 3.50 8.20 0.00 -0.12 -5.05 105.19 113.49 3gvk n GLY 782 Ca 0.18 -0.70 -0.34 0.00 0.00 0.00 0.00 46.02 45.16 3gvk n GLY 782 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gvk s VAL 783 N -2.00 3.59 0.06 1.61 1.01 -1.26 -4.80 120.40 118.61 3gvk s VAL 783 Ca 0.00 -0.49 -0.33 0.00 0.00 0.00 0.00 61.98 61.16 3gvk s VAL 783 Cb 0.00 -2.51 -0.12 0.00 0.00 0.00 0.00 36.38 33.75 3gvk s VAL 783 CO 0.00 0.55 1.75 0.54 0.00 0.00 0.00 175.10 177.94 3gvk n ARG 784 N 2.97 2.33 -4.39 2.72 1.74 -1.26 -1.08 116.66 119.70 3gvk n ARG 784 Ca -0.18 0.85 -0.25 0.00 -0.77 0.00 0.00 57.85 57.50 3gvk n ARG 784 Cb 0.53 -2.68 -0.17 0.00 -1.02 0.00 0.00 32.46 29.12 3gvk n ARG 784 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3gvk s THR 785 N 2.48 1.08 -0.36 0.55 2.01 0.92 -4.91 115.64 117.41 3gvk s THR 785 Ca 0.84 -0.42 -0.06 0.00 0.31 0.00 0.00 61.69 62.37 3gvk s THR 785 Cb -0.63 -1.02 0.06 0.00 0.01 0.00 0.00 72.50 70.92 3gvk s THR 785 CO 0.42 0.35 0.14 -0.69 -0.69 0.00 0.00 174.62 174.16 3gvk s VAL 786 N 0.94 3.70 -0.81 3.82 1.01 -1.26 -0.80 120.40 127.00 3gvk s VAL 786 Ca -0.09 -1.37 0.25 0.00 0.00 0.00 0.00 61.98 60.77 3gvk s VAL 786 Cb -0.15 -3.20 0.10 0.00 0.00 0.00 0.00 36.38 33.12 3gvk s VAL 786 CO 0.00 -0.32 1.50 -2.65 0.00 0.00 0.00 175.10 173.63 3gvk n PRO 787 N 4.78 0.16 -2.41 2.72 -0.02 -1.25 -4.92 135.00 134.05 3gvk n PRO 787 Ca -0.10 0.06 -0.38 0.00 -2.02 0.00 0.00 63.50 61.06 3gvk n PRO 787 Cb 0.44 -1.62 -0.03 0.00 -0.02 0.00 0.00 33.50 32.27 3gvk n PRO 787 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3gvk s ALA 788 N -3.08 3.21 0.32 3.55 0.00 -1.26 -5.01 121.76 119.48 3gvk s ALA 788 Ca 0.09 0.88 -0.29 0.00 0.00 0.00 0.00 51.96 52.65 3gvk s ALA 788 Cb 0.15 -3.34 -0.10 0.00 0.00 0.00 0.00 23.12 19.83 3gvk s ALA 788 CO 0.67 -0.35 1.34 -1.25 0.00 0.00 0.00 175.76 176.18 3gvk s PRO 789 N -2.12 4.32 0.05 0.00 0.04 -1.26 -5.03 135.00 130.99 3gvk s PRO 789 Ca 0.54 2.26 -0.05 0.00 0.04 0.00 0.00 61.00 63.79 3gvk s PRO 789 Cb -0.29 -3.07 -0.02 0.00 0.04 0.00 0.00 34.50 31.17 3gvk s PRO 789 CO 0.36 -0.26 0.07 -1.64 0.04 0.00 0.00 177.00 175.58 3gvk s MET 790 N -1.58 0.61 -0.15 4.56 -1.94 -1.26 -5.14 119.30 114.40 3gvk s MET 790 Ca 0.51 -0.88 0.02 0.00 -1.71 0.00 0.00 55.69 53.63 3gvk s MET 790 Cb -0.41 0.23 0.01 0.00 2.01 0.00 0.00 34.83 36.68 3gvk s MET 790 CO 0.52 -0.15 -0.20 -1.21 -0.01 0.00 0.00 175.02 173.97 3gvk s GLU 791 N -3.02 2.88 -0.32 2.03 0.41 -1.26 -5.10 118.70 114.32 3gvk s GLU 791 Ca -0.01 -0.80 -0.08 0.00 -0.41 0.00 0.00 54.97 53.67 3gvk s GLU 791 Cb 0.01 -2.41 0.01 0.00 -1.78 0.00 0.00 34.13 29.97 3gvk s GLU 791 CO -0.07 -0.10 0.12 -0.06 -0.49 0.00 0.00 175.26 174.66 3gvk s PHE 792 N 1.05 3.18 -0.08 1.61 0.08 -1.26 -4.96 117.98 117.59 3gvk s PHE 792 Ca -0.02 -0.93 0.19 0.00 0.12 0.00 0.00 56.93 56.29 3gvk s PHE 792 Cb -0.14 -2.31 -0.29 0.00 -0.57 0.00 0.00 43.02 39.70 3gvk s PHE 792 CO -0.06 -0.58 0.44 0.25 -0.10 0.00 0.00 175.22 175.17 3gvk n THR 793 N 4.91 0.00 -2.21 0.64 -2.24 -1.26 -4.95 114.28 109.16 3gvk n THR 793 Ca -0.14 -0.41 -0.32 0.00 -2.27 0.00 0.00 64.05 60.91 3gvk n THR 793 Cb 0.47 0.13 -0.02 0.00 -2.10 0.00 0.00 70.33 68.81 3gvk n THR 793 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3gvk s GLY 794 N -4.10 1.95 0.15 3.38 0.00 -1.26 -4.98 107.32 102.46 3gvk s GLY 794 Ca -0.06 0.12 -0.34 0.00 0.00 0.00 0.00 44.72 44.45 3gvk s GLY 794 CO 0.79 0.40 1.59 1.22 0.00 0.00 0.00 173.10 177.10 3gvk n ASP 795 N -1.95 3.09 -4.52 1.64 8.00 -1.26 -4.98 116.55 116.57 3gvk n ASP 795 Ca 0.07 1.08 -0.33 0.00 0.71 0.00 0.00 54.79 56.31 3gvk n ASP 795 Cb 0.54 -1.42 -0.12 0.00 -0.02 0.00 0.00 41.12 40.10 3gvk n ASP 795 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3gvk s LEU 796 N 1.05 3.05 -0.15 0.64 1.43 -1.26 -5.10 118.68 118.33 3gvk s LEU 796 Ca 0.79 -0.12 -0.02 0.00 -1.03 0.00 0.00 54.13 53.76 3gvk s LEU 796 Cb -0.68 -1.67 -0.02 0.00 0.03 0.00 0.00 46.19 43.85 3gvk s LEU 796 CO 0.39 0.29 -0.10 -0.83 0.23 0.00 0.00 176.35 176.33 3gvk s GLY 797 N -0.39 1.59 0.09 -3.19 0.00 -1.26 -5.13 107.32 99.02 3gvk s GLY 797 Ca 0.05 -0.92 0.10 0.00 0.00 0.00 0.00 44.72 43.95 3gvk s GLY 797 CO 0.02 -0.05 -0.26 1.08 0.00 0.00 0.00 173.10 173.89 3gvk s LEU 798 N 0.55 2.24 0.00 0.66 1.43 -1.26 -5.14 118.68 117.17 3gvk s LEU 798 Ca -0.06 -0.67 0.00 0.00 -1.03 0.00 0.00 54.13 52.37 3gvk s LEU 798 Cb -0.15 -1.23 0.00 0.00 0.03 0.00 0.00 46.19 44.84 3gvk s LEU 798 CO 0.03 0.21 0.00 0.61 0.23 0.00 0.00 176.35 177.43 3gvk n GLY 799 N 1.35 0.99 3.69 -3.19 0.00 -1.26 -4.95 105.19 101.82 3gvk n GLY 799 Ca -0.18 -0.76 -0.42 0.00 0.00 0.00 0.00 46.02 44.66 3gvk n GLY 799 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3gvk s HIS 800 N 1.33 2.51 -0.12 1.61 5.65 -1.26 -5.00 115.29 120.02 3gvk s HIS 800 Ca 0.00 0.41 0.01 0.00 0.25 0.00 0.00 55.06 55.73 3gvk s HIS 800 Cb 0.00 -3.91 -0.01 0.00 -1.18 0.00 0.00 32.58 27.48 3gvk s HIS 800 CO 0.00 -3.62 -0.17 0.08 -0.65 0.00 0.00 174.74 170.38 3gvk s VAL 801 N 2.54 2.68 -0.14 0.89 1.01 -1.26 -5.11 120.40 121.01 3gvk s VAL 801 Ca 0.72 -0.79 0.00 0.00 0.00 0.00 0.00 61.98 61.91 3gvk s VAL 801 Cb -0.39 -2.10 -0.01 0.00 0.00 0.00 0.00 36.38 33.89 3gvk s VAL 801 CO 0.31 0.54 -0.15 -0.89 0.00 0.00 0.00 175.10 174.91 3gvk s THR 802 N 0.37 2.75 -0.37 3.92 2.01 -1.26 -5.09 115.64 117.96 3gvk s THR 802 Ca -0.13 -0.75 -0.17 0.00 0.31 0.00 0.00 61.69 60.94 3gvk s THR 802 Cb -0.17 -2.15 0.00 0.00 0.01 0.00 0.00 72.50 70.19 3gvk s THR 802 CO 0.07 0.52 0.46 -0.63 -0.69 0.00 0.00 174.62 174.35 3gvk s ILE 803 N 0.65 5.06 0.58 1.82 -1.09 -1.26 -5.06 121.20 121.91 3gvk s ILE 803 Ca -0.08 0.05 -0.13 0.00 -2.23 0.00 0.00 60.65 58.26 3gvk s ILE 803 Cb -0.16 -3.97 -0.05 0.00 -1.58 0.00 0.00 42.46 36.70 3gvk s ILE 803 CO 0.02 -0.27 1.01 -0.13 -1.23 0.00 0.00 174.94 174.34 3gvk s ARG 804 N 2.26 3.71 0.24 2.79 1.81 -1.26 -4.79 118.95 123.70 3gvk s ARG 804 Ca 0.15 0.80 -0.31 0.00 -1.72 0.00 0.00 55.73 54.65 3gvk s ARG 804 Cb -0.16 -2.11 -0.12 0.00 -0.45 0.00 0.00 34.95 32.11 3gvk s ARG 804 CO 0.13 -0.46 1.68 0.00 -0.68 0.00 0.00 175.30 175.97 3gvk s ALA 805 N -2.99 3.87 0.00 2.13 0.00 -1.26 -4.31 121.76 119.20 3gvk s ALA 805 Ca 0.56 1.58 0.00 0.00 0.00 0.00 0.00 51.96 54.10 3gvk s ALA 805 Cb -0.11 -3.68 0.00 0.00 0.00 0.00 0.00 23.12 19.33 3gvk s ALA 805 CO 0.46 -0.94 0.00 -1.13 0.00 0.00 0.00 175.76 174.15 3gvk n SER 806 N 3.35 0.00 -4.25 0.00 3.41 -0.49 -4.92 113.62 110.73 3gvk n SER 806 Ca 0.13 0.00 -0.27 0.00 -0.26 0.00 0.00 58.87 58.47 3gvk n SER 806 Cb 0.36 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.16 3gvk n SER 806 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3gvk s THR 807 N -0.61 1.70 -0.69 6.66 2.01 -0.77 -4.47 115.64 119.48 3gvk s THR 807 Ca 0.00 -1.09 -0.03 0.00 0.31 0.00 0.00 61.69 60.89 3gvk s THR 807 Cb 0.00 -1.45 0.00 0.00 0.01 0.00 0.00 72.50 71.06 3gvk s THR 807 CO 0.00 0.33 0.68 -0.24 -0.69 0.00 0.00 174.62 174.70 3gvk n SER 808 N 2.15 -7.82 -3.58 3.53 2.88 -1.26 -1.98 113.62 107.54 3gvk n SER 808 Ca -0.16 0.03 -0.27 0.00 -1.33 0.00 0.00 58.87 57.14 3gvk n SER 808 Cb 0.53 -5.33 0.02 0.00 -0.75 0.00 0.00 64.21 58.68 3gvk n SER 808 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 3gvk n SER 809 N -1.53 -4.75 -2.19 -3.46 7.64 -1.26 -1.89 113.62 106.17 3gvk n SER 809 Ca 0.02 -0.56 -0.15 0.00 1.01 0.00 0.00 58.87 59.18 3gvk n SER 809 Cb 0.49 -3.84 -0.02 0.00 -1.01 0.00 0.00 64.21 59.84 3gvk n SER 809 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3gvk n ASN 810 N -2.61 -4.40 0.16 6.43 3.02 -1.18 -4.87 115.26 111.80 3gvk n ASN 810 Ca -0.00 0.19 0.01 0.00 -0.03 0.00 0.00 54.58 54.74 3gvk n ASN 810 Cb 0.55 -3.78 0.23 0.00 -0.61 0.00 0.00 39.78 36.17 3gvk n ASN 810 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 3gvk h ILE 811 N 0.00 1.26 -3.88 2.41 2.10 -0.72 -3.42 117.51 115.27 3gvk h ILE 811 Ca -0.35 -1.88 -0.30 0.00 1.08 0.00 0.00 64.86 63.42 3gvk h ILE 811 Cb 1.20 2.04 -0.19 0.00 -1.09 0.00 0.00 36.82 38.77 3gvk h ILE 811 CO 0.43 0.52 -0.74 0.00 -1.08 0.00 0.00 178.15 177.28 3gvk s ARG 812 N -3.66 0.70 0.31 2.19 1.70 -0.98 -5.00 118.95 114.21 3gvk s ARG 812 Ca -0.01 -0.97 -0.13 0.00 -0.47 0.00 0.00 55.73 54.15 3gvk s ARG 812 Cb 0.12 -0.43 -0.08 0.00 -0.57 0.00 0.00 34.95 33.99 3gvk s ARG 812 CO 0.74 0.07 0.70 -1.54 -1.08 0.00 0.00 175.30 174.18 3gvk s SER 813 N -2.03 6.69 -0.10 -2.89 1.04 -1.26 -1.39 113.70 113.77 3gvk s SER 813 Ca -0.02 1.16 -0.06 0.00 0.48 0.00 0.00 55.95 57.52 3gvk s SER 813 Cb -0.06 -2.33 0.04 0.00 0.10 0.00 0.00 66.02 63.77 3gvk s SER 813 CO -0.00 -0.21 0.23 -0.70 0.98 0.00 0.00 173.24 173.55 3gvk s GLU 814 N -3.10 0.21 -0.13 4.02 2.12 -1.26 -4.96 118.70 115.60 3gvk s GLU 814 Ca 0.52 0.48 0.02 0.00 0.36 0.00 0.00 54.97 56.34 3gvk s GLU 814 Cb -0.10 -0.08 0.01 0.00 0.26 0.00 0.00 34.13 34.22 3gvk s GLU 814 CO 0.21 -0.14 -0.17 0.08 -0.54 0.00 0.00 175.26 174.69 3gvk s VAL 815 N 1.04 1.72 -0.11 3.70 1.01 -1.26 -5.05 120.40 121.45 3gvk s VAL 815 Ca -0.08 -0.77 -0.01 0.00 0.00 0.00 0.00 61.98 61.12 3gvk s VAL 815 Cb -0.09 -1.56 -0.03 0.00 0.00 0.00 0.00 36.38 34.70 3gvk s VAL 815 CO -0.07 0.48 -0.05 -0.76 0.00 0.00 0.00 175.10 174.70 3gvk s LEU 816 N 1.04 3.20 -0.17 3.92 1.43 -1.26 -5.11 118.68 121.73 3gvk s LEU 816 Ca -0.04 -0.08 -0.04 0.00 -1.03 0.00 0.00 54.13 52.94 3gvk s LEU 816 Cb -0.15 -1.73 -0.03 0.00 0.03 0.00 0.00 46.19 44.31 3gvk s LEU 816 CO -0.04 0.26 -0.02 -0.04 0.23 0.00 0.00 176.35 176.74 3gvk s MET 817 N -0.20 3.70 0.00 1.70 -1.94 -1.26 -5.11 119.30 116.18 3gvk s MET 817 Ca 0.03 -0.50 0.00 0.00 -1.71 0.00 0.00 55.69 53.51 3gvk s MET 817 Cb -0.13 -2.98 0.00 0.00 2.01 0.00 0.00 34.83 33.73 3gvk s MET 817 CO 0.03 0.21 0.00 0.39 -0.01 0.00 0.00 175.02 175.63 3gvk n GLU 818 N 3.65 1.08 0.00 2.03 1.02 -1.26 -4.83 120.64 122.33 3gvk n GLU 818 Ca -0.17 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.97 3gvk n GLU 818 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.94 3gvk n GLU 818 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3gvk n GLY 819 N 5.00 -2.36 0.28 0.62 0.00 -1.26 -4.33 105.19 103.14 3gvk n GLY 819 Ca 0.00 -1.59 -0.09 0.00 0.00 0.00 0.00 46.02 44.33 3gvk n GLY 819 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3gvk h GLU 820 N 0.00 0.97 -3.97 1.61 4.81 -2.09 -3.45 114.58 112.46 3gvk h GLU 820 Ca 0.00 -0.29 -0.10 0.00 -0.13 0.00 0.00 59.36 58.83 3gvk h GLU 820 Cb 0.00 -0.10 -0.15 0.00 0.63 0.00 0.00 28.75 29.14 3gvk h GLU 820 CO 0.00 0.96 -0.51 1.52 -0.73 0.00 0.00 179.01 180.25 3gvk s TYR 821 N -5.08 0.30 0.11 0.92 -0.85 -1.26 -5.17 117.35 106.32 3gvk s TYR 821 Ca -0.12 -0.76 0.03 0.00 -0.52 0.00 0.00 57.07 55.69 3gvk s TYR 821 Cb 0.13 -0.20 -0.04 0.00 0.38 0.00 0.00 41.96 42.23 3gvk s TYR 821 CO 0.84 -0.46 0.16 0.20 -1.52 0.00 0.00 175.55 174.76 3gvk s GLY 822 N -2.80 1.93 -0.07 5.49 0.00 -1.26 -4.86 107.32 105.74 3gvk s GLY 822 Ca 0.05 -1.03 -0.00 0.00 0.00 0.00 0.00 44.72 43.73 3gvk s GLY 822 CO -0.10 -1.02 -0.02 -0.12 0.00 0.00 0.00 173.10 171.84 3gvk s PHE 823 N -1.57 0.80 -0.24 1.90 5.36 -1.26 -5.11 117.98 117.85 3gvk s PHE 823 Ca 0.32 -0.25 -0.00 0.00 -0.96 0.00 0.00 56.93 56.03 3gvk s PHE 823 Cb -0.12 -0.81 0.03 0.00 -0.34 0.00 0.00 43.02 41.79 3gvk s PHE 823 CO 0.25 -0.30 -0.09 0.42 -1.46 0.00 0.00 175.22 174.04 3gvk s ILE 824 N 1.57 2.64 0.43 3.12 1.01 -1.26 -5.11 121.20 123.61 3gvk s ILE 824 Ca -0.01 -1.14 0.04 0.00 0.00 0.00 0.00 60.65 59.55 3gvk s ILE 824 Cb -0.13 -2.36 -0.02 0.00 0.01 0.00 0.00 42.46 39.96 3gvk s ILE 824 CO -0.04 0.19 0.15 -0.83 0.00 0.00 0.00 174.94 174.41 3gvk s GLY 825 N 1.28 2.73 -0.13 6.18 0.00 -1.26 -5.15 107.32 110.97 3gvk s GLY 825 Ca -0.01 -1.13 -0.01 0.00 0.00 0.00 0.00 44.72 43.58 3gvk s GLY 825 CO -0.06 -1.83 -0.07 1.25 0.00 0.00 0.00 173.10 172.40 3gvk s LYS 826 N -3.65 1.46 0.76 2.90 2.47 -1.26 -5.08 119.74 117.34 3gvk s LYS 826 Ca 0.22 -0.31 -0.15 0.00 -1.56 0.00 0.00 55.97 54.17 3gvk s LYS 826 Cb 0.01 -1.68 0.05 0.00 -1.46 0.00 0.00 37.83 34.76 3gvk s LYS 826 CO 0.15 -0.31 1.23 -1.13 0.16 0.00 0.00 175.35 175.45 3gvk n SER 827 N 4.93 1.36 -4.65 1.43 3.41 -1.26 -4.94 113.62 113.90 3gvk n SER 827 Ca -0.12 0.66 -0.43 0.00 -0.26 0.00 0.00 58.87 58.73 3gvk n SER 827 Cb 0.49 -1.52 -0.03 0.00 -0.26 0.00 0.00 64.21 62.89 3gvk n SER 827 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3gvk s ILE 828 N -1.89 3.72 0.58 -1.33 1.01 -1.26 -4.92 121.20 117.12 3gvk s ILE 828 Ca 0.76 0.85 -0.20 0.00 0.00 0.00 0.00 60.65 62.07 3gvk s ILE 828 Cb -0.32 -3.62 -0.04 0.00 0.01 0.00 0.00 42.46 38.49 3gvk s ILE 828 CO 0.47 -0.16 1.30 -2.84 0.00 0.00 0.00 174.94 173.71 3gvk s PRO 829 N 4.21 2.98 -0.13 2.79 0.02 -1.26 -4.97 135.00 138.63 3gvk s PRO 829 Ca 0.70 2.08 -0.25 0.00 0.02 0.00 0.00 61.00 63.54 3gvk s PRO 829 Cb -0.28 -2.08 -0.26 0.00 0.02 0.00 0.00 34.50 31.89 3gvk s PRO 829 CO 0.27 -1.27 0.67 1.15 -0.33 0.00 0.00 177.00 177.49 3gvk h THR 830 N 1.10 1.52 0.11 0.99 2.02 -1.99 -3.34 112.91 113.32 3gvk h THR 830 Ca -0.51 -2.35 -0.36 0.00 0.77 0.00 0.00 66.41 63.96 3gvk h THR 830 Cb 1.31 3.09 -0.02 0.00 -1.74 0.00 0.00 68.15 70.78 3gvk h THR 830 CO 0.56 0.58 -2.00 0.47 0.37 0.00 0.00 175.52 175.50 3gvk n ASP 831 N -4.44 1.98 -3.42 4.18 8.00 -1.26 -4.64 116.55 116.94 3gvk n ASP 831 Ca -0.16 0.21 -0.26 0.00 0.71 0.00 0.00 54.79 55.29 3gvk n ASP 831 Cb 0.61 -0.75 -0.09 0.00 -0.02 0.00 0.00 41.12 40.88 3gvk n ASP 831 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 3gvk n ASN 832 N -3.42 1.29 0.28 -2.24 5.15 -1.26 -4.95 115.26 110.11 3gvk n ASN 832 Ca -0.31 -2.86 0.14 0.00 -0.60 0.00 0.00 54.58 50.95 3gvk n ASN 832 Cb 1.05 -0.64 0.83 0.00 -0.53 0.00 0.00 39.78 40.48 3gvk n ASN 832 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 3gvk h PRO 833 N 4.73 0.00 0.00 1.20 0.13 -1.83 -2.01 132.00 134.22 3gvk h PRO 833 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 3gvk h PRO 833 Cb 0.82 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.95 3gvk h PRO 833 CO 0.56 0.06 0.00 0.00 -0.23 0.00 0.00 178.00 178.40 3gvk n ALA 834 N -2.29 1.33 0.81 -0.56 0.00 -1.25 -2.03 120.51 116.53 3gvk n ALA 834 Ca -0.02 0.03 0.12 0.00 0.00 0.00 0.00 53.44 53.56 3gvk n ALA 834 Cb 0.16 -1.19 0.15 0.00 0.00 0.00 0.00 19.45 18.57 3gvk n ALA 834 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gvk n GLY 835 N -0.74 1.19 3.69 0.00 0.00 -0.75 -1.77 105.19 106.80 3gvk n GLY 835 Ca 0.01 -0.70 -0.52 0.00 0.00 0.00 0.00 46.02 44.81 3gvk n GLY 835 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3gvk n GLN 836 N 1.36 1.75 -3.60 1.61 7.27 -0.86 -4.92 117.38 119.99 3gvk n GLN 836 Ca 0.16 0.64 -0.03 0.00 0.07 0.00 0.00 57.00 57.84 3gvk n GLN 836 Cb 0.60 -2.42 -0.02 0.00 2.41 0.00 0.00 30.24 30.81 3gvk n GLN 836 CO 0.00 0.00 0.00 -0.98 0.07 0.00 0.00 177.06 176.15 3gvk s ARG 837 N 3.77 0.41 -0.08 3.69 1.70 -1.26 -0.92 118.95 126.27 3gvk s ARG 837 Ca 0.95 -0.18 0.04 0.00 -0.47 0.00 0.00 55.73 56.06 3gvk s ARG 837 Cb -0.85 0.17 0.00 0.00 -0.57 0.00 0.00 34.95 33.71 3gvk s ARG 837 CO 0.57 -0.18 -0.19 0.42 -1.08 0.00 0.00 175.30 174.84 3gvk s ILE 838 N -2.52 1.65 -0.28 4.99 1.01 -0.61 -4.96 121.20 120.48 3gvk s ILE 838 Ca 0.10 -0.79 -0.11 0.00 0.00 0.00 0.00 60.65 59.85 3gvk s ILE 838 Cb 0.01 -1.45 -0.05 0.00 0.01 0.00 0.00 42.46 40.98 3gvk s ILE 838 CO -0.04 0.47 0.20 -0.63 0.00 0.00 0.00 174.94 174.93 3gvk s ILE 839 N 0.38 5.31 -0.19 2.92 1.01 -1.26 -1.59 121.20 127.78 3gvk s ILE 839 Ca -0.14 0.16 -0.09 0.00 0.00 0.00 0.00 60.65 60.58 3gvk s ILE 839 Cb -0.16 -3.54 -0.05 0.00 0.01 0.00 0.00 42.46 38.72 3gvk s ILE 839 CO 0.06 0.23 0.11 -0.36 0.00 0.00 0.00 174.94 174.98 3gvk s PHE 840 N 1.77 3.38 -0.01 3.97 0.08 -0.12 -5.00 117.98 122.04 3gvk s PHE 840 Ca 0.07 0.28 0.00 0.00 0.12 0.00 0.00 56.93 57.40 3gvk s PHE 840 Cb -0.16 -2.11 0.01 0.00 -0.57 0.00 0.00 43.02 40.19 3gvk s PHE 840 CO 0.11 0.30 -0.00 0.00 -0.10 0.00 0.00 175.22 175.53 3gvk n GLY 842 N 3.57 -0.99 2.62 0.00 0.00 0.07 -4.87 105.19 105.59 3gvk n GLY 842 Ca -0.19 -0.13 -0.23 0.00 0.00 0.00 0.00 46.02 45.47 3gvk n GLY 842 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gvk n GLY 843 N 0.69 3.70 0.17 -0.02 0.00 -1.25 -4.84 105.19 103.63 3gvk n GLY 843 Ca 0.14 -2.29 0.12 0.00 0.00 0.00 0.00 46.02 43.98 3gvk n GLY 843 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3gvk h GLU 844 N 0.00 0.00 -5.13 1.61 9.09 -1.90 -3.47 114.58 114.78 3gvk h GLU 844 Ca -0.30 0.00 -0.45 0.00 0.05 0.00 0.00 59.36 58.67 3gvk h GLU 844 Cb 0.92 0.00 -0.14 0.00 -1.65 0.00 0.00 28.75 27.88 3gvk h GLU 844 CO 0.49 0.00 -0.60 0.20 0.05 0.00 0.00 179.01 179.15 3gvk s GLY 845 N -4.07 2.02 0.38 1.06 0.00 -1.26 -5.04 107.32 100.40 3gvk s GLY 845 Ca 0.06 -1.97 0.17 0.00 0.00 0.00 0.00 44.72 42.98 3gvk s GLY 845 CO 0.68 -1.76 1.79 -0.91 0.00 0.00 0.00 173.10 172.90 3gvk h THR 846 N 2.17 1.04 -3.10 0.90 1.35 -2.00 -3.43 112.91 109.83 3gvk h THR 846 Ca -0.40 -1.40 -0.53 0.00 -0.55 0.00 0.00 66.41 63.53 3gvk h THR 846 Cb 1.25 1.81 0.05 0.00 -1.73 0.00 0.00 68.15 69.53 3gvk h THR 846 CO 0.67 0.37 0.83 -0.55 -0.25 0.00 0.00 175.52 176.59 3gvk s SER 847 N -6.61 6.59 0.03 5.36 0.15 -1.26 -4.88 113.70 113.08 3gvk s SER 847 Ca -0.01 2.67 0.12 0.00 0.70 0.00 0.00 55.95 59.42 3gvk s SER 847 Cb 0.13 -2.61 0.52 0.00 -1.71 0.00 0.00 66.02 62.35 3gvk s SER 847 CO 0.70 -0.78 1.39 -1.54 1.20 0.00 0.00 173.24 174.20 3gvk n SER 848 N 3.14 0.06 0.28 5.45 3.41 -1.26 -1.80 113.62 122.89 3gvk n SER 848 Ca 0.10 0.52 0.14 0.00 -0.26 0.00 0.00 58.87 59.37 3gvk n SER 848 Cb 0.39 -0.53 0.79 0.00 -0.26 0.00 0.00 64.21 64.61 3gvk n SER 848 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 3gvk h THR 849 N 0.00 0.49 0.00 6.66 1.35 -1.93 -2.79 112.91 116.68 3gvk h THR 849 Ca 0.00 -0.40 0.00 0.00 -0.55 0.00 0.00 66.41 65.46 3gvk h THR 849 Cb 0.20 1.27 0.00 0.00 -1.73 0.00 0.00 68.15 67.89 3gvk h THR 849 CO 0.00 0.08 -0.21 0.71 -0.25 0.00 0.00 175.52 175.85 3gvk h THR 850 N 0.00 0.00 0.00 6.82 1.35 -1.67 -3.49 112.91 115.93 3gvk h THR 850 Ca -0.00 -0.94 0.00 0.00 -0.55 0.00 0.00 66.41 64.92 3gvk h THR 850 Cb 0.26 1.83 0.00 0.00 -1.73 0.00 0.00 68.15 68.51 3gvk h THR 850 CO 0.01 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.89 3gvk n GLY 851 N 1.14 0.75 3.77 5.82 0.00 -1.05 -3.96 105.19 111.66 3gvk n GLY 851 Ca 0.03 -0.83 -0.41 0.00 0.00 0.00 0.00 46.02 44.81 3gvk n GLY 851 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gvk s ALA 852 N -2.00 3.49 0.02 4.61 0.00 -1.26 -4.63 121.76 121.99 3gvk s ALA 852 Ca 0.00 1.48 0.04 0.00 0.00 0.00 0.00 51.96 53.48 3gvk s ALA 852 Cb 0.00 -3.58 -0.02 0.00 0.00 0.00 0.00 23.12 19.53 3gvk s ALA 852 CO 0.00 -0.99 -0.11 -0.65 0.00 0.00 0.00 175.76 174.00 3gvk s GLN 853 N -2.11 0.81 -0.12 0.00 -0.21 0.30 -0.75 119.66 117.57 3gvk s GLN 853 Ca 0.54 -0.62 0.02 0.00 0.02 0.00 0.00 55.36 55.32 3gvk s GLN 853 Cb -0.44 -0.77 0.01 0.00 1.00 0.00 0.00 33.01 32.81 3gvk s GLN 853 CO 0.59 0.19 -0.18 0.42 -2.12 0.00 0.00 175.29 174.19 3gvk s ILE 854 N -0.72 1.75 -0.20 1.08 1.01 -0.63 0.04 121.20 123.54 3gvk s ILE 854 Ca 0.00 -0.80 -0.01 0.00 0.00 0.00 0.00 60.65 59.85 3gvk s ILE 854 Cb -0.07 -1.57 0.01 0.00 0.01 0.00 0.00 42.46 40.84 3gvk s ILE 854 CO 0.01 0.49 -0.13 -0.89 0.00 0.00 0.00 174.94 174.41 3gvk s THR 855 N 0.86 2.61 -0.32 2.92 2.01 -0.37 -0.95 115.64 122.40 3gvk s THR 855 Ca -0.08 -0.75 -0.14 0.00 0.31 0.00 0.00 61.69 61.03 3gvk s THR 855 Cb -0.15 -2.14 -0.02 0.00 0.01 0.00 0.00 72.50 70.19 3gvk s THR 855 CO -0.01 0.49 0.29 -0.76 -0.69 0.00 0.00 174.62 173.95 3gvk s LEU 856 N 1.37 4.34 0.08 4.42 1.43 -0.62 -2.20 118.68 127.49 3gvk s LEU 856 Ca 0.05 -0.18 -0.21 0.00 -1.03 0.00 0.00 54.13 52.76 3gvk s LEU 856 Cb -0.14 -2.25 -0.07 0.00 0.03 0.00 0.00 46.19 43.77 3gvk s LEU 856 CO -0.09 -0.23 0.63 -0.31 0.23 0.00 0.00 176.35 176.58 3gvk s TYR 857 N 1.89 3.81 0.81 0.29 2.02 -0.15 -1.57 117.35 124.45 3gvk s TYR 857 Ca 0.10 1.36 -0.12 0.00 -0.37 0.00 0.00 57.07 58.04 3gvk s TYR 857 Cb -0.17 -2.59 0.08 0.00 -0.40 0.00 0.00 41.96 38.88 3gvk s TYR 857 CO 0.11 0.52 1.10 0.20 -1.57 0.00 0.00 175.55 175.91 3gvk s GLY 858 N -0.92 1.62 0.52 0.71 0.00 -0.09 -3.47 107.32 105.69 3gvk s GLY 858 Ca 0.31 -0.20 0.24 0.00 0.00 0.00 0.00 44.72 45.07 3gvk s GLY 858 CO 0.21 0.24 2.11 0.00 0.00 0.00 0.00 173.10 175.65 3gvk h ALA 859 N -1.16 1.49 0.00 3.20 0.00 -1.92 -2.42 119.26 118.45 3gvk h ALA 859 Ca -0.47 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.35 3gvk h ALA 859 Cb 1.27 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3gvk h ALA 859 CO 0.59 0.12 0.00 -0.91 0.00 0.00 0.00 179.25 179.05 3gvk h ASN 860 N 0.00 0.00 -4.07 0.00 2.35 -1.90 -3.43 115.58 108.53 3gvk h ASN 860 Ca -0.00 0.00 -0.54 0.00 -0.55 0.00 0.00 56.30 55.21 3gvk h ASN 860 Cb 0.22 0.00 0.12 0.00 0.05 0.00 0.00 38.32 38.71 3gvk h ASN 860 CO 0.01 0.00 0.53 0.21 -1.65 0.00 0.00 177.43 176.53 3gvk s ASN 861 N -5.08 5.27 0.29 5.81 3.84 -0.98 -3.79 114.94 120.31 3gvk s ASN 861 Ca 0.09 2.55 0.05 0.00 0.21 0.00 0.00 52.86 55.75 3gvk s ASN 861 Cb 0.10 -2.62 0.73 0.00 -0.55 0.00 0.00 41.25 38.91 3gvk s ASN 861 CO 0.61 -1.55 1.73 0.74 -2.79 0.00 0.00 177.10 175.84 3gvk h THR 862 N 1.18 0.57 -3.45 -5.21 2.02 -1.65 -2.72 112.91 103.65 3gvk h THR 862 Ca -0.51 -0.18 -0.79 0.00 0.77 0.00 0.00 66.41 65.70 3gvk h THR 862 Cb 1.30 -0.01 -0.26 0.00 -1.74 0.00 0.00 68.15 67.43 3gvk h THR 862 CO 0.56 0.10 0.47 -1.81 0.37 0.00 0.00 175.52 175.21 3gvk s ASP 863 N -5.26 7.15 0.05 4.18 1.01 -1.26 -5.03 116.67 117.50 3gvk s ASP 863 Ca -0.11 -3.27 -0.30 0.00 0.71 0.00 0.00 52.55 49.57 3gvk s ASP 863 Cb 0.25 -2.24 -0.08 0.00 1.01 0.00 0.00 42.92 41.86 3gvk s ASP 863 CO 0.79 -0.43 1.80 -0.55 0.21 0.00 0.00 175.17 177.00 3gvk s SER 864 N 1.74 6.52 -1.64 0.27 0.15 -1.03 -2.50 113.70 117.21 3gvk s SER 864 Ca 0.29 2.57 0.00 0.00 0.70 0.00 0.00 55.95 59.51 3gvk s SER 864 Cb -0.09 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.67 3gvk s SER 864 CO -0.08 -0.98 0.00 0.54 1.20 0.00 0.00 173.24 173.92 3gvk n ARG 865 N 6.56 -1.76 -2.21 5.44 1.74 -0.95 -4.94 116.66 120.54 3gvk n ARG 865 Ca 0.18 0.93 -0.37 0.00 -0.77 0.00 0.00 57.85 57.81 3gvk n ARG 865 Cb 0.41 -5.51 -0.01 0.00 -1.02 0.00 0.00 32.46 26.33 3gvk n ARG 865 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 3gvk s ARG 866 N -4.76 3.74 -0.08 5.56 3.52 -1.04 -4.81 118.95 121.08 3gvk s ARG 866 Ca 0.00 1.84 0.03 0.00 -0.13 0.00 0.00 55.73 57.47 3gvk s ARG 866 Cb 0.00 -2.43 0.01 0.00 -1.56 0.00 0.00 34.95 30.96 3gvk s ARG 866 CO 0.00 -0.59 -0.19 0.42 -0.81 0.00 0.00 175.30 174.13 3gvk s ILE 867 N -1.50 1.66 -0.20 4.11 1.01 -1.26 -0.98 121.20 124.04 3gvk s ILE 867 Ca 0.63 -0.79 -0.02 0.00 0.00 0.00 0.00 60.65 60.48 3gvk s ILE 867 Cb -0.30 -1.45 0.00 0.00 0.01 0.00 0.00 42.46 40.72 3gvk s ILE 867 CO 0.37 0.47 -0.11 -0.69 0.00 0.00 0.00 174.94 174.98 3gvk s VAL 868 N 0.46 2.82 -0.29 2.92 1.01 -0.94 -5.00 120.40 121.39 3gvk s VAL 868 Ca -0.17 -0.68 -0.09 0.00 0.00 0.00 0.00 61.98 61.04 3gvk s VAL 868 Cb -0.17 -2.25 -0.02 0.00 0.00 0.00 0.00 36.38 33.94 3gvk s VAL 868 CO 0.07 0.47 0.14 -0.31 0.00 0.00 0.00 175.10 175.47 3gvk s TYR 869 N 1.37 3.16 -0.32 5.22 2.02 -1.26 -1.23 117.35 126.31 3gvk s TYR 869 Ca 0.05 -0.46 0.00 0.00 -0.37 0.00 0.00 57.07 56.30 3gvk s TYR 869 Cb -0.14 -2.33 0.10 0.00 -0.40 0.00 0.00 41.96 39.19 3gvk s TYR 869 CO -0.07 -0.40 0.09 1.21 -1.57 0.00 0.00 175.55 174.81 3gvk s ASN 870 N 1.63 4.21 0.21 2.29 2.47 0.11 -5.02 114.94 120.84 3gvk s ASN 870 Ca 0.05 -1.77 -0.07 0.00 0.42 0.00 0.00 52.86 51.50 3gvk s ASN 870 Cb -0.16 -1.05 -0.02 0.00 -1.45 0.00 0.00 41.25 38.57 3gvk s ASN 870 CO 0.06 -0.41 0.29 -0.83 -3.72 0.00 0.00 177.10 172.49 3gvk s GLY 871 N 1.44 0.95 0.00 1.21 0.00 -1.26 -0.54 107.32 109.12 3gvk s GLY 871 Ca 0.10 -1.27 0.27 0.00 0.00 0.00 0.00 44.72 43.82 3gvk s GLY 871 CO -0.21 -1.02 1.60 1.22 0.00 0.00 0.00 173.10 174.69 3gvk n ASP 872 N -0.31 0.58 -3.80 1.64 8.00 -1.26 -4.75 116.55 116.66 3gvk n ASP 872 Ca -0.01 -0.41 -0.13 0.00 0.71 0.00 0.00 54.79 54.96 3gvk n ASP 872 Cb 0.64 0.07 -0.13 0.00 -0.02 0.00 0.00 41.12 41.68 3gvk n ASP 872 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3gvk s GLU 873 N -2.76 0.17 -0.33 -1.24 2.02 -1.26 -5.12 118.70 110.18 3gvk s GLU 873 Ca 0.19 0.26 0.02 0.00 0.02 0.00 0.00 54.97 55.46 3gvk s GLU 873 Cb 0.19 0.03 0.09 0.00 0.10 0.00 0.00 34.13 34.54 3gvk s GLU 873 CO 0.59 -0.06 0.04 -1.01 0.02 0.00 0.00 175.26 174.84 3gvk s HIS 874 N 0.34 3.63 -0.29 1.61 3.76 -1.26 -5.08 115.29 118.00 3gvk s HIS 874 Ca -0.02 -2.73 -0.03 0.00 -0.15 0.00 0.00 55.06 52.12 3gvk s HIS 874 Cb -0.03 -2.76 0.04 0.00 1.11 0.00 0.00 32.58 30.94 3gvk s HIS 874 CO -0.01 -0.93 0.01 -0.51 -0.85 0.00 0.00 174.74 172.44 3gvk s LEU 875 N 0.99 3.80 -0.45 0.89 1.43 -1.26 -5.07 118.68 119.02 3gvk s LEU 875 Ca 0.06 -1.10 -0.19 0.00 -1.03 0.00 0.00 54.13 51.87 3gvk s LEU 875 Cb -0.20 -1.74 0.03 0.00 0.03 0.00 0.00 46.19 44.31 3gvk s LEU 875 CO -0.06 -0.23 0.54 -0.36 0.23 0.00 0.00 176.35 176.46 3gvk s PHE 876 N 1.32 3.12 0.01 0.29 0.08 -1.26 -5.05 117.98 116.48 3gvk s PHE 876 Ca -0.03 -0.34 -0.01 0.00 0.12 0.00 0.00 56.93 56.67 3gvk s PHE 876 Cb -0.19 -3.17 -0.04 0.00 -0.57 0.00 0.00 43.02 39.05 3gvk s PHE 876 CO -0.01 -0.83 0.12 -1.14 -0.10 0.00 0.00 175.22 173.26 3gvk s GLN 877 N 2.42 3.17 0.00 0.44 0.74 -1.26 -4.69 119.66 120.48 3gvk s GLN 877 Ca 0.15 -0.46 0.00 0.00 0.05 0.00 0.00 55.36 55.10 3gvk s GLN 877 Cb -0.17 -2.92 0.00 0.00 1.10 0.00 0.00 33.01 31.02 3gvk s GLN 877 CO 0.14 0.64 0.00 0.43 -0.55 0.00 0.00 175.29 175.96 3gvk n SER 878 N 0.97 0.00 -3.47 6.67 7.64 -1.26 -4.93 113.62 119.23 3gvk n SER 878 Ca -0.11 0.00 -0.15 0.00 1.01 0.00 0.00 58.87 59.62 3gvk n SER 878 Cb 0.52 -0.18 -0.04 0.00 -1.01 0.00 0.00 64.21 63.51 3gvk n SER 878 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3gvk s ALA 879 N -3.20 -1.69 0.62 -0.43 0.00 -1.26 -5.16 121.76 110.64 3gvk s ALA 879 Ca 0.00 0.93 -0.18 0.00 0.00 0.00 0.00 51.96 52.71 3gvk s ALA 879 Cb 0.00 0.41 -0.03 0.00 0.00 0.00 0.00 23.12 23.50 3gvk s ALA 879 CO 0.00 -0.56 1.10 -0.25 0.00 0.00 0.00 175.76 176.06 3gvk n ASP 880 N 0.30 1.34 -4.51 0.00 8.00 -1.26 -4.97 116.55 115.45 3gvk n ASP 880 Ca -0.18 0.82 -0.43 0.00 0.71 0.00 0.00 54.79 55.71 3gvk n ASP 880 Cb 0.61 -1.46 -0.06 0.00 -0.02 0.00 0.00 41.12 40.18 3gvk n ASP 880 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3gvk s VAL 881 N -1.46 4.78 0.09 2.53 1.01 -1.26 -5.04 120.40 121.06 3gvk s VAL 881 Ca 0.78 0.03 0.08 0.00 0.00 0.00 0.00 61.98 62.88 3gvk s VAL 881 Cb -0.40 -4.26 -0.03 0.00 0.00 0.00 0.00 36.38 31.68 3gvk s VAL 881 CO 0.45 -0.69 -0.21 -0.54 0.00 0.00 0.00 175.10 174.10 3gvk s LYS 882 N 2.92 1.20 0.50 2.72 1.02 -1.26 -5.13 119.74 121.70 3gvk s LYS 882 Ca 0.22 -1.13 -0.19 0.00 0.02 0.00 0.00 55.97 54.89 3gvk s LYS 882 Cb -0.15 -1.45 -0.08 0.00 -0.52 0.00 0.00 37.83 35.63 3gvk s LYS 882 CO 0.18 0.34 1.02 -1.25 -0.92 0.00 0.00 175.35 174.72 3gvk s PRO 883 N -1.78 3.80 0.15 -1.68 0.04 -1.26 -4.98 135.00 129.30 3gvk s PRO 883 Ca 0.07 1.24 -0.13 0.00 0.04 0.00 0.00 61.00 62.23 3gvk s PRO 883 Cb -0.10 -2.10 0.03 0.00 0.04 0.00 0.00 34.50 32.37 3gvk s PRO 883 CO 0.04 -0.42 1.64 -0.92 0.04 0.00 0.00 177.00 177.38 3gvk h TYR 884 N 1.33 0.89 -1.53 0.56 3.20 -2.00 -3.45 116.97 115.98 3gvk h TYR 884 Ca -0.49 -0.12 -0.48 0.00 3.14 0.00 0.00 58.73 60.78 3gvk h TYR 884 Cb 1.21 -0.25 -0.02 0.00 1.54 0.00 0.00 36.73 39.21 3gvk h TYR 884 CO 0.59 0.81 -0.36 -0.80 -1.64 0.00 0.00 178.16 176.75 3gvk s ASN 885 N -6.24 5.15 -0.28 -2.11 0.01 -1.26 -5.10 114.94 105.11 3gvk s ASN 885 Ca -0.13 -0.68 -0.11 0.00 -0.71 0.00 0.00 52.86 51.23 3gvk s ASN 885 Cb 0.12 -0.61 -0.05 0.00 0.41 0.00 0.00 41.25 41.12 3gvk s ASN 885 CO 0.81 -0.65 0.20 -0.62 -1.51 0.00 0.00 177.10 175.33 3gvk s ASP 886 N -4.15 6.03 -1.32 -1.22 2.15 -1.26 -4.53 116.67 112.37 3gvk s ASP 886 Ca 0.49 -0.03 -0.06 0.00 0.43 0.00 0.00 52.55 53.38 3gvk s ASP 886 Cb -0.04 -2.13 0.01 0.00 -0.30 0.00 0.00 42.92 40.46 3gvk s ASP 886 CO 0.29 -0.07 1.09 -3.20 -0.17 0.00 0.00 175.17 173.11 3gvk n ASN 887 N 5.08 -4.67 0.00 -0.34 5.15 -1.26 -4.90 115.26 114.32 3gvk n ASN 887 Ca -0.14 -0.60 0.00 0.00 -0.60 0.00 0.00 54.58 53.25 3gvk n ASN 887 Cb 0.52 -4.94 0.00 0.00 -0.53 0.00 0.00 39.78 34.83 3gvk n ASN 887 CO 0.00 0.00 0.00 1.33 1.40 0.00 0.00 177.26 179.99 3gvk n VAL 888 N -4.68 0.00 -4.37 3.44 0.24 -1.26 -5.09 118.33 106.60 3gvk n VAL 888 Ca -0.10 0.00 -0.26 0.00 -2.04 0.00 0.00 64.34 61.95 3gvk n VAL 888 Cb 0.60 -0.59 -0.10 0.00 -1.47 0.00 0.00 33.84 32.27 3gvk n VAL 888 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 3gvk s THR 889 N -1.60 2.78 0.35 3.34 -4.23 -1.26 -5.15 115.64 109.86 3gvk s THR 889 Ca 0.00 -1.98 0.08 0.00 -1.18 0.00 0.00 61.69 58.61 3gvk s THR 889 Cb 0.00 -2.39 -0.04 0.00 1.34 0.00 0.00 72.50 71.41 3gvk s THR 889 CO 0.00 -0.20 0.21 0.00 -0.54 0.00 0.00 174.62 174.09 3gvk s ALA 890 N -1.93 3.66 -0.32 3.99 0.00 -1.26 -5.02 121.76 120.88 3gvk s ALA 890 Ca 0.25 -1.79 -0.19 0.00 0.00 0.00 0.00 51.96 50.24 3gvk s ALA 890 Cb -0.07 -0.88 -0.01 0.00 0.00 0.00 0.00 23.12 22.15 3gvk s ALA 890 CO 0.14 -0.01 0.55 -0.51 0.00 0.00 0.00 175.76 175.93 3gvk s LEU 891 N -3.92 4.21 0.00 0.00 1.43 -1.26 -4.98 118.68 114.16 3gvk s LEU 891 Ca 0.40 0.22 0.00 0.00 -1.03 0.00 0.00 54.13 53.72 3gvk s LEU 891 Cb -0.03 -2.67 0.00 0.00 0.03 0.00 0.00 46.19 43.52 3gvk s LEU 891 CO 0.24 -0.44 0.00 0.61 0.23 0.00 0.00 176.35 177.00 3gvk n GLY 892 N 4.61 -1.90 3.84 -3.19 0.00 -1.26 -4.93 105.19 102.36 3gvk n GLY 892 Ca -0.04 -1.35 -0.07 0.00 0.00 0.00 0.00 46.02 44.56 3gvk n GLY 892 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3gvk s GLY 893 N -2.21 0.01 0.53 -0.02 0.00 -0.46 -4.96 107.32 100.22 3gvk s GLY 893 Ca 0.00 -0.38 0.20 0.00 0.00 0.00 0.00 44.72 44.54 3gvk s GLY 893 CO 0.00 -0.08 2.12 -2.55 0.00 0.00 0.00 173.10 172.59 3gvk h PRO 894 N 2.00 0.00 -0.25 2.90 0.11 -2.01 -0.39 132.00 134.36 3gvk h PRO 894 Ca -0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.88 3gvk h PRO 894 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3gvk h PRO 894 CO 0.28 0.00 0.00 0.43 -0.21 0.00 0.00 178.00 178.50 3gvk n SER 895 N -4.41 2.72 -3.18 -2.05 7.64 -1.26 -4.63 113.62 108.45 3gvk n SER 895 Ca 0.00 -1.82 -0.20 0.00 1.01 0.00 0.00 58.87 57.87 3gvk n SER 895 Cb 0.22 -0.16 -0.04 0.00 -1.01 0.00 0.00 64.21 63.22 3gvk n SER 895 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3gvk n ASN 896 N 0.77 0.91 -4.76 6.43 3.02 -0.18 -5.11 115.26 116.34 3gvk n ASN 896 Ca 0.12 -2.97 -0.40 0.00 -0.03 0.00 0.00 54.58 51.29 3gvk n ASN 896 Cb 0.42 -0.62 -0.06 0.00 -0.61 0.00 0.00 39.78 38.90 3gvk n ASN 896 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 3gvk s ARG 897 N -2.18 4.71 0.42 3.52 0.52 -1.05 -1.36 118.95 123.53 3gvk s ARG 897 Ca 0.39 1.33 -0.23 0.00 -0.52 0.00 0.00 55.73 56.71 3gvk s ARG 897 Cb 0.30 -3.28 -0.09 0.00 0.52 0.00 0.00 34.95 32.39 3gvk s ARG 897 CO -0.09 0.52 1.01 -0.06 0.02 0.00 0.00 175.30 176.70 3gvk s PHE 898 N -1.05 3.26 0.20 -0.53 0.08 -1.26 -4.98 117.98 113.70 3gvk s PHE 898 Ca 0.39 1.64 -0.09 0.00 0.12 0.00 0.00 56.93 58.98 3gvk s PHE 898 Cb -0.24 -3.02 0.14 0.00 -0.57 0.00 0.00 43.02 39.32 3gvk s PHE 898 CO 0.29 -0.46 1.79 1.79 -0.10 0.00 0.00 175.22 178.53 3gvk h THR 899 N 2.00 1.24 -2.63 0.64 1.35 -2.04 -3.47 112.91 110.00 3gvk h THR 899 Ca -0.49 -0.68 0.11 0.00 -0.55 0.00 0.00 66.41 64.80 3gvk h THR 899 Cb 1.21 0.32 -0.02 0.00 -1.73 0.00 0.00 68.15 67.93 3gvk h THR 899 CO 0.61 0.29 0.49 1.07 -0.25 0.00 0.00 175.52 177.73 3gvk n THR 900 N -4.40 0.00 -4.58 6.82 5.66 -1.26 -5.15 114.28 111.37 3gvk n THR 900 Ca 0.06 -0.65 -0.28 0.00 -3.05 0.00 0.00 64.05 60.14 3gvk n THR 900 Cb 0.14 0.80 -0.17 0.00 -1.55 0.00 0.00 70.33 69.55 3gvk n THR 900 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3gvk s ALA 901 N -2.01 1.59 -0.36 1.79 0.00 -1.26 -5.11 121.76 116.40 3gvk s ALA 901 Ca 0.20 -0.65 -0.20 0.00 0.00 0.00 0.00 51.96 51.31 3gvk s ALA 901 Cb -0.03 -0.74 0.00 0.00 0.00 0.00 0.00 23.12 22.35 3gvk s ALA 901 CO 0.07 0.02 0.62 0.71 0.00 0.00 0.00 175.76 177.18 3gvk s TYR 902 N 0.82 3.15 0.06 0.00 1.51 -1.26 -5.05 117.35 116.58 3gvk s TYR 902 Ca -0.11 0.28 0.05 0.00 -1.01 0.00 0.00 57.07 56.29 3gvk s TYR 902 Cb -0.16 -3.13 -0.03 0.00 -0.11 0.00 0.00 41.96 38.54 3gvk s TYR 902 CO 0.01 -0.64 -0.15 -0.51 -1.11 0.00 0.00 175.55 173.16 3gvk s LEU 903 N 2.67 2.24 0.14 -1.29 1.43 -1.26 -5.03 118.68 117.59 3gvk s LEU 903 Ca 0.23 -0.57 0.26 0.00 -1.03 0.00 0.00 54.13 53.03 3gvk s LEU 903 Cb -0.15 -0.58 0.81 0.00 0.03 0.00 0.00 46.19 46.30 3gvk s LEU 903 CO 0.15 -0.03 1.72 0.61 0.23 0.00 0.00 176.35 179.03 3gvk n GLY 904 N 1.47 -1.60 3.42 -3.19 0.00 -1.26 -4.91 105.19 99.13 3gvk n GLY 904 Ca -0.20 -0.09 -0.11 0.00 0.00 0.00 0.00 46.02 45.62 3gvk n GLY 904 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gvk s SER 905 N -4.10 -0.37 0.69 1.61 1.04 -1.26 -5.16 113.70 106.14 3gvk s SER 905 Ca 0.11 -0.24 -0.16 0.00 0.48 0.00 0.00 55.95 56.14 3gvk s SER 905 Cb 0.14 0.55 0.01 0.00 0.10 0.00 0.00 66.02 66.83 3gvk s SER 905 CO 0.61 -0.96 1.23 0.20 0.98 0.00 0.00 173.24 175.30 3gvk s ASN 906 N -2.80 4.45 0.50 7.02 0.01 -1.26 -4.94 114.94 117.92 3gvk s ASN 906 Ca 0.04 2.44 -0.22 0.00 -0.71 0.00 0.00 52.86 54.40 3gvk s ASN 906 Cb -0.00 -2.60 -0.07 0.00 0.41 0.00 0.00 41.25 38.99 3gvk s ASN 906 CO -0.10 -2.09 1.10 -2.65 -1.51 0.00 0.00 177.10 171.85 3gvk n PRO 907 N -2.33 1.36 -3.17 -0.60 -0.02 -1.26 -4.95 135.00 124.03 3gvk n PRO 907 Ca 0.14 0.50 -0.44 0.00 -2.02 0.00 0.00 63.50 61.68 3gvk n PRO 907 Cb 0.50 -2.24 -0.06 0.00 -0.02 0.00 0.00 33.50 31.68 3gvk n PRO 907 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3gvk s ILE 908 N -1.35 4.91 -0.15 4.25 1.01 -1.26 -5.04 121.20 123.57 3gvk s ILE 908 Ca 0.68 -0.78 -0.05 0.00 0.00 0.00 0.00 60.65 60.50 3gvk s ILE 908 Cb -0.47 -4.35 -0.03 0.00 0.01 0.00 0.00 42.46 37.61 3gvk s ILE 908 CO 0.52 -0.90 0.02 -0.69 0.00 0.00 0.00 174.94 173.89 3gvk s VAL 909 N 2.49 4.41 -2.00 2.92 1.01 -1.26 -5.29 120.40 122.68 3gvk s VAL 909 Ca 0.12 -0.18 0.05 0.00 0.00 0.00 0.00 61.98 61.97 3gvk s VAL 909 Cb -0.22 -2.95 0.13 0.00 0.00 0.00 0.00 36.38 33.35 3gvk s VAL 909 CO 0.09 0.50 0.75 0.41 0.00 0.00 0.00 175.10 176.85