#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gvk s ALA 246 N 0.00 3.15 -0.00 7.33 0.00 -1.26 -4.96 121.76 126.02 3gvk s ALA 246 Ca 0.00 1.01 -0.13 0.00 0.00 0.00 0.00 51.96 52.84 3gvk s ALA 246 Cb 0.00 -3.40 -0.33 0.00 0.00 0.00 0.00 23.12 19.39 3gvk s ALA 246 CO 0.00 -0.59 0.87 0.87 0.00 0.00 0.00 175.76 176.91 3gvk h LYS 247 N 2.59 0.47 -5.10 0.00 1.79 -1.94 -3.49 116.57 110.90 3gvk h LYS 247 Ca -0.49 -0.80 -0.30 0.00 -2.18 0.00 0.00 60.65 56.88 3gvk h LYS 247 Cb 1.24 0.30 0.14 0.00 -1.58 0.00 0.00 32.23 32.32 3gvk h LYS 247 CO 0.62 1.38 -0.63 0.41 -1.08 0.00 0.00 179.45 180.15 3gvk n GLY 248 N 1.77 -0.26 0.27 3.86 0.00 -1.26 -4.94 105.19 104.63 3gvk n GLY 248 Ca -0.20 0.04 0.03 0.00 0.00 0.00 0.00 46.02 45.90 3gvk n GLY 248 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3gvk n ASP 249 N -2.66 1.73 0.00 1.61 5.68 -1.15 -4.19 116.55 117.57 3gvk n ASP 249 Ca -0.17 -1.41 0.00 0.00 -0.50 0.00 0.00 54.79 52.71 3gvk n ASP 249 Cb 0.62 -0.03 0.00 0.00 -1.14 0.00 0.00 41.12 40.57 3gvk n ASP 249 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3gvk n GLY 250 N 0.29 0.54 0.00 6.12 0.00 -0.83 -4.74 105.19 106.57 3gvk n GLY 250 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 3gvk n GLY 250 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 3gvk n VAL 251 N -2.19 0.00 -2.46 1.61 3.14 -1.26 -4.66 118.33 112.51 3gvk n VAL 251 Ca 0.00 0.00 -0.42 0.00 -2.96 0.00 0.00 64.34 60.96 3gvk n VAL 251 Cb 0.05 -0.34 -0.03 0.00 -1.06 0.00 0.00 33.84 32.46 3gvk n VAL 251 CO 0.00 0.00 0.00 -0.89 -6.46 0.00 0.00 176.83 169.48 3gvk s THR 252 N -1.67 3.95 -0.35 1.55 2.01 -1.26 -4.95 115.64 114.92 3gvk s THR 252 Ca 0.00 1.52 -0.28 0.00 0.31 0.00 0.00 61.69 63.24 3gvk s THR 252 Cb 0.00 -3.97 -0.03 0.00 0.01 0.00 0.00 72.50 68.51 3gvk s THR 252 CO 0.00 0.18 2.01 -0.62 -0.69 0.00 0.00 174.62 175.50 3gvk s ASP 253 N 0.54 5.51 0.00 3.53 2.15 -1.26 -3.99 116.67 123.15 3gvk s ASP 253 Ca 0.54 1.35 0.23 0.00 0.43 0.00 0.00 52.55 55.11 3gvk s ASP 253 Cb -0.29 -2.52 0.49 0.00 -0.30 0.00 0.00 42.92 40.30 3gvk s ASP 253 CO 0.32 -2.00 1.44 0.47 -0.17 0.00 0.00 175.17 175.23 3gvk n ASP 254 N 11.68 3.64 -0.09 -0.34 8.00 -0.04 -4.65 116.55 134.75 3gvk n ASP 254 Ca 0.26 -2.00 -0.06 0.00 0.71 0.00 0.00 54.79 53.70 3gvk n ASP 254 Cb 0.48 -0.32 -0.00 0.00 -0.02 0.00 0.00 41.12 41.26 3gvk n ASP 254 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 3gvk h THR 255 N 4.47 0.52 -0.60 -3.53 2.02 -1.89 -1.17 112.91 112.72 3gvk h THR 255 Ca 0.00 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.12 3gvk h THR 255 Cb 1.00 0.52 -0.02 0.00 -1.74 0.00 0.00 68.15 67.90 3gvk h THR 255 CO 0.00 0.00 0.14 0.00 0.37 0.00 0.00 175.52 176.03 3gvk h ALA 256 N 1.14 0.80 -0.59 6.16 0.00 -1.95 -1.38 119.26 123.43 3gvk h ALA 256 Ca 0.17 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 3gvk h ALA 256 Cb 0.36 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3gvk h ALA 256 CO -0.39 0.51 0.10 0.00 0.00 0.00 0.00 179.25 179.47 3gvk h ALA 257 N 1.04 0.79 -0.33 0.00 0.00 -1.81 -1.72 119.26 117.23 3gvk h ALA 257 Ca 0.19 -0.26 -0.14 0.00 0.00 0.00 0.00 54.91 54.70 3gvk h ALA 257 Cb 0.36 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3gvk h ALA 257 CO 0.00 0.54 -0.37 -0.07 0.00 0.00 0.00 179.25 179.35 3gvk h LEU 258 N 0.89 0.82 -0.39 0.00 -0.00 -1.09 -0.95 115.31 114.58 3gvk h LEU 258 Ca 0.18 -0.36 -0.01 0.00 -0.00 0.00 0.00 57.88 57.69 3gvk h LEU 258 Cb 0.42 -0.23 -0.02 0.00 -0.00 0.00 0.00 40.66 40.83 3gvk h LEU 258 CO 0.01 1.10 0.21 0.74 -0.00 0.00 0.00 178.44 180.50 3gvk h THR 259 N 0.64 1.16 -0.50 0.22 2.02 -1.16 0.11 112.91 115.39 3gvk h THR 259 Ca 0.06 -0.43 -0.00 0.00 0.77 0.00 0.00 66.41 66.81 3gvk h THR 259 Cb 0.92 0.72 -0.02 0.00 -1.74 0.00 0.00 68.15 68.03 3gvk h THR 259 CO 0.08 0.17 0.30 -1.28 0.37 0.00 0.00 175.52 175.16 3gvk h SER 260 N 0.50 0.61 -0.37 4.18 0.87 -1.26 -0.90 113.55 117.17 3gvk h SER 260 Ca 0.14 -0.06 -0.00 0.00 -1.23 0.00 0.00 61.79 60.63 3gvk h SER 260 Cb 0.08 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 61.87 3gvk h SER 260 CO -0.02 0.49 0.21 0.00 -0.53 0.00 0.00 176.83 176.99 3gvk h ALA 261 N 1.14 0.47 -0.78 6.23 0.00 -0.91 -1.57 119.26 123.84 3gvk h ALA 261 Ca 0.18 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 3gvk h ALA 261 Cb -0.00 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 3gvk h ALA 261 CO -0.03 -0.02 0.33 -0.07 0.00 0.00 0.00 179.25 179.46 3gvk h LEU 262 N 0.48 1.05 -1.05 0.00 3.38 -0.61 -2.47 115.31 116.08 3gvk h LEU 262 Ca 0.13 -0.15 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 3gvk h LEU 262 Cb 0.03 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 3gvk h LEU 262 CO -0.02 0.92 -0.15 0.78 0.09 0.00 0.00 178.44 180.05 3gvk h ASN 263 N 1.13 0.49 0.19 -0.43 2.35 -0.94 -3.22 115.58 115.14 3gvk h ASN 263 Ca 0.26 -0.13 0.00 0.00 -0.55 0.00 0.00 56.30 55.88 3gvk h ASN 263 Cb 0.18 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.41 3gvk h ASN 263 CO -0.03 0.66 -0.20 0.47 -1.65 0.00 0.00 177.43 176.69 3gvk n ASP 264 N -4.19 1.11 -4.41 5.81 8.00 -0.61 -4.89 116.55 117.37 3gvk n ASP 264 Ca 0.00 -1.01 -0.31 0.00 0.71 0.00 0.00 54.79 54.18 3gvk n ASP 264 Cb 0.34 0.10 -0.14 0.00 -0.02 0.00 0.00 41.12 41.40 3gvk n ASP 264 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 3gvk s THR 265 N -2.40 2.60 0.49 -3.53 -1.32 -0.97 -5.07 115.64 105.44 3gvk s THR 265 Ca 0.27 -1.09 -0.24 0.00 -1.21 0.00 0.00 61.69 59.42 3gvk s THR 265 Cb 0.20 -2.03 -0.07 0.00 -1.51 0.00 0.00 72.50 69.09 3gvk s THR 265 CO 0.48 0.45 1.39 -2.16 -2.21 0.00 0.00 174.62 172.57 3gvk s PRO 266 N -1.07 3.49 0.53 7.08 0.04 -1.26 -4.91 135.00 138.90 3gvk s PRO 266 Ca 0.12 2.32 0.19 0.00 0.04 0.00 0.00 61.00 63.67 3gvk s PRO 266 Cb -0.10 -2.50 1.37 0.00 0.04 0.00 0.00 34.50 33.30 3gvk s PRO 266 CO 0.02 -0.94 2.14 0.28 0.04 0.00 0.00 177.00 178.55 3gvk h VAL 267 N 1.97 0.89 -0.00 -0.36 2.07 -1.99 -1.08 116.25 117.75 3gvk h VAL 267 Ca -0.51 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.01 3gvk h VAL 267 Cb 1.28 0.96 0.00 0.00 -1.52 0.00 0.00 31.29 32.01 3gvk h VAL 267 CO 0.60 0.00 -0.09 0.61 0.02 0.00 0.00 177.57 178.71 3gvk n GLY 268 N -1.52 -1.30 3.67 2.17 0.00 -1.26 -4.78 105.19 102.16 3gvk n GLY 268 Ca -0.01 -0.18 -0.43 0.00 0.00 0.00 0.00 46.02 45.40 3gvk n GLY 268 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3gvk s GLN 269 N -2.79 4.29 -0.51 1.61 2.00 -0.41 -5.00 119.66 118.85 3gvk s GLN 269 Ca 0.20 1.42 -0.26 0.00 -2.00 0.00 0.00 55.36 54.72 3gvk s GLN 269 Cb 0.19 -3.63 0.03 0.00 0.80 0.00 0.00 33.01 30.40 3gvk s GLN 269 CO 0.52 -0.57 1.02 0.15 -0.50 0.00 0.00 175.29 175.91 3gvk s LYS 270 N 2.96 3.51 -0.09 1.67 3.01 -1.26 -4.84 119.74 124.70 3gvk s LYS 270 Ca 0.47 0.15 -0.29 0.00 -1.01 0.00 0.00 55.97 55.28 3gvk s LYS 270 Cb -0.17 -3.97 -0.05 0.00 -1.01 0.00 0.00 37.83 32.63 3gvk s LYS 270 CO 0.10 -1.40 1.68 0.42 0.51 0.00 0.00 175.35 176.66 3gvk s ILE 271 N 4.15 3.57 -0.25 2.17 1.01 0.04 -4.65 121.20 127.24 3gvk s ILE 271 Ca 0.38 0.68 -0.23 0.00 0.00 0.00 0.00 60.65 61.49 3gvk s ILE 271 Cb -0.10 -3.48 -0.01 0.00 0.01 0.00 0.00 42.46 38.88 3gvk s ILE 271 CO 0.25 -0.11 0.74 0.21 0.00 0.00 0.00 174.94 176.03 3gvk s ASN 272 N 3.77 6.71 0.00 3.58 3.84 -1.26 -0.36 114.94 131.21 3gvk s ASN 272 Ca 0.74 0.86 0.28 0.00 0.21 0.00 0.00 52.86 54.96 3gvk s ASN 272 Cb -0.32 -2.39 1.11 0.00 -0.55 0.00 0.00 41.25 39.11 3gvk s ASN 272 CO 0.30 -0.46 1.78 0.61 -2.79 0.00 0.00 177.10 176.54 3gvk n GLY 273 N 3.97 -0.37 2.74 1.21 0.00 -0.41 -4.95 105.19 107.38 3gvk n GLY 273 Ca 0.03 -0.38 -0.21 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.28 -5.58 0.00 1.61 3.02 -1.07 -1.89 115.26 111.07 3gvk n ASN 274 Ca 0.18 -0.13 0.00 0.00 -0.03 0.00 0.00 54.58 54.60 3gvk n ASN 274 Cb 0.31 -4.60 0.00 0.00 -0.61 0.00 0.00 39.78 34.89 3gvk n ASN 274 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3gvk n GLY 275 N -1.21 0.59 3.93 7.41 0.00 0.38 -5.02 105.19 111.27 3gvk n GLY 275 Ca -0.16 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.25 2.91 -0.13 1.61 1.02 -0.79 -4.84 119.74 119.27 3gvk s LYS 276 Ca 0.00 -0.25 -0.03 0.00 0.02 0.00 0.00 55.97 55.71 3gvk s LYS 276 Cb 0.00 -2.39 -0.03 0.00 -0.52 0.00 0.00 37.83 34.90 3gvk s LYS 276 CO 0.00 -0.57 -0.04 0.99 -0.92 0.00 0.00 175.35 174.81 3gvk s THR 277 N -2.83 3.90 -0.15 2.17 2.01 -1.26 -2.15 115.64 117.34 3gvk s THR 277 Ca 0.52 -0.37 0.02 0.00 0.31 0.00 0.00 61.69 62.18 3gvk s THR 277 Cb -0.10 -2.68 0.01 0.00 0.01 0.00 0.00 72.50 69.74 3gvk s THR 277 CO 0.42 0.53 -0.21 -0.31 -0.69 0.00 0.00 174.62 174.36 3gvk s TYR 278 N -0.02 2.62 0.02 4.92 2.02 -0.13 -1.97 117.35 124.81 3gvk s TYR 278 Ca 0.01 -1.38 -0.30 0.00 -0.37 0.00 0.00 57.07 55.02 3gvk s TYR 278 Cb -0.13 -1.80 -0.05 0.00 -0.40 0.00 0.00 41.96 39.58 3gvk s TYR 278 CO 0.03 -0.65 1.17 0.21 -1.57 0.00 0.00 175.55 174.73 3gvk s LYS 279 N 0.97 4.42 0.08 -0.62 2.20 -1.26 -1.28 119.74 124.26 3gvk s LYS 279 Ca -0.04 1.69 0.04 0.00 -0.36 0.00 0.00 55.97 57.30 3gvk s LYS 279 Cb -0.15 -3.43 -0.03 0.00 -1.51 0.00 0.00 37.83 32.71 3gvk s LYS 279 CO -0.05 -0.29 -0.10 0.14 -0.36 0.00 0.00 175.35 174.69 3gvk s VAL 280 N 1.42 0.87 -0.86 4.02 -7.23 -0.78 -0.87 120.40 116.98 3gvk s VAL 280 Ca 0.57 -1.43 0.23 0.00 -1.81 0.00 0.00 61.98 59.54 3gvk s VAL 280 Cb -0.27 -1.11 -0.13 0.00 0.56 0.00 0.00 36.38 35.43 3gvk s VAL 280 CO 0.27 -0.45 1.08 0.35 -0.31 0.00 0.00 175.10 176.04 3gvk n THR 281 N 0.94 0.05 -3.77 5.32 -2.24 -1.26 -4.44 114.28 108.88 3gvk n THR 281 Ca -0.19 -0.09 -0.13 0.00 -2.27 0.00 0.00 64.05 61.38 3gvk n THR 281 Cb 0.56 0.51 -0.10 0.00 -2.10 0.00 0.00 70.33 69.20 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 -3.31 -0.25 0.03 3.42 0.01 -1.26 -4.94 113.70 107.40 3gvk s SER 282 Ca 0.07 0.32 -0.30 0.00 1.31 0.00 0.00 55.95 57.35 3gvk s SER 282 Cb 0.16 0.46 -0.06 0.00 0.21 0.00 0.00 66.02 66.79 3gvk s SER 282 CO 0.80 -0.30 1.39 -0.76 0.41 0.00 0.00 173.24 174.78 3gvk s LEU 283 N -0.68 4.33 0.00 2.44 1.43 -1.26 -5.02 118.68 119.91 3gvk s LEU 283 Ca -0.08 2.15 -0.02 0.00 -1.03 0.00 0.00 54.13 55.15 3gvk s LEU 283 Cb -0.04 -3.57 0.03 0.00 0.03 0.00 0.00 46.19 42.65 3gvk s LEU 283 CO 0.02 -0.70 0.19 -0.81 0.23 0.00 0.00 176.35 175.29 3gvk n PRO 284 N 5.03 -0.15 -1.99 1.29 -0.04 -1.26 -4.90 135.00 132.98 3gvk n PRO 284 Ca 0.13 -0.30 -0.25 0.00 -0.04 0.00 0.00 63.50 63.03 3gvk n PRO 284 Cb 0.43 -0.19 -0.06 0.00 -0.04 0.00 0.00 33.50 33.65 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 -1.70 4.96 0.37 3.54 -1.08 -1.26 -4.81 116.67 116.69 3gvk s ASP 285 Ca 0.11 -0.73 0.06 0.00 -0.52 0.00 0.00 52.55 51.47 3gvk s ASP 285 Cb -0.00 -2.56 0.76 0.00 -1.46 0.00 0.00 42.92 39.65 3gvk s ASP 285 CO 0.08 -2.95 1.99 0.40 0.52 0.00 0.00 175.17 175.20 3gvk h ILE 286 N 7.16 1.06 -0.00 4.11 2.04 -1.97 -2.49 117.51 127.42 3gvk h ILE 286 Ca 0.10 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 65.71 3gvk h ILE 286 Cb 1.00 0.27 -0.00 0.00 -0.74 0.00 0.00 36.82 37.35 3gvk h ILE 286 CO 1.19 0.13 0.02 0.77 0.00 0.00 0.00 178.15 180.26 3gvk h SER 287 N 0.72 0.00 -0.04 1.72 4.64 -1.98 -1.57 113.55 117.04 3gvk h SER 287 Ca 0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 3gvk h SER 287 Cb 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 3gvk h SER 287 CO -0.08 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.42 3gvk n ARG 288 N -3.07 1.71 -4.25 4.77 1.74 -0.94 -4.88 116.66 111.74 3gvk n ARG 288 Ca -0.03 -1.04 -0.32 0.00 -0.77 0.00 0.00 57.85 55.69 3gvk n ARG 288 Cb 0.09 -1.47 -0.09 0.00 -1.02 0.00 0.00 32.46 29.98 3gvk n ARG 288 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3gvk s PHE 289 N -1.97 3.03 0.14 -1.55 0.08 -0.59 -0.78 117.98 116.34 3gvk s PHE 289 Ca 0.37 0.03 0.09 0.00 0.12 0.00 0.00 56.93 57.54 3gvk s PHE 289 Cb 0.20 -1.62 -0.04 0.00 -0.57 0.00 0.00 43.02 41.00 3gvk s PHE 289 CO 0.32 0.46 -0.22 0.96 -0.10 0.00 0.00 175.22 176.64 3gvk s ILE 290 N -1.15 1.96 -1.55 0.64 -4.36 0.51 -4.03 121.20 113.21 3gvk s ILE 290 Ca 0.21 -1.76 -0.11 0.00 -0.26 0.00 0.00 60.65 58.74 3gvk s ILE 290 Cb -0.12 -1.81 0.09 0.00 1.25 0.00 0.00 42.46 41.87 3gvk s ILE 290 CO 0.13 -0.10 0.73 -3.20 0.24 0.00 0.00 174.94 172.74 3gvk n ASN 291 N 0.73 -2.74 -4.13 4.36 5.15 -0.84 -1.29 115.26 116.50 3gvk n ASN 291 Ca -0.17 -0.94 -0.24 0.00 -0.60 0.00 0.00 54.58 52.64 3gvk n ASN 291 Cb 0.55 -3.23 -0.15 0.00 -0.53 0.00 0.00 39.78 36.42 3gvk n ASN 291 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 3gvk s THR 292 N -3.50 1.24 -0.03 -0.44 2.01 -1.26 -0.47 115.64 113.19 3gvk s THR 292 Ca 0.47 -0.67 0.07 0.00 0.31 0.00 0.00 61.69 61.87 3gvk s THR 292 Cb -0.25 -1.03 -0.02 0.00 0.01 0.00 0.00 72.50 71.21 3gvk s THR 292 CO 0.88 0.35 -0.25 -0.60 -0.69 0.00 0.00 174.62 174.32 3gvk s ARG 293 N -0.35 2.09 -0.07 4.92 3.52 -0.91 -1.10 118.95 127.06 3gvk s ARG 293 Ca 0.06 -0.88 0.01 0.00 -0.13 0.00 0.00 55.73 54.78 3gvk s ARG 293 Cb -0.06 -1.97 -0.03 0.00 -1.56 0.00 0.00 34.95 31.33 3gvk s ARG 293 CO -0.00 0.50 -0.08 -0.06 -0.81 0.00 0.00 175.30 174.85 3gvk s PHE 294 N -0.50 2.90 -0.21 5.12 0.08 -0.18 -0.96 117.98 124.24 3gvk s PHE 294 Ca 0.07 -0.01 -0.05 0.00 0.12 0.00 0.00 56.93 57.06 3gvk s PHE 294 Cb -0.10 -1.70 -0.03 0.00 -0.57 0.00 0.00 43.02 40.62 3gvk s PHE 294 CO -0.00 0.31 0.01 0.54 -0.10 0.00 0.00 175.22 175.98 3gvk s VAL 295 N -0.78 4.04 -0.05 -0.44 0.11 -0.40 -0.67 120.40 122.21 3gvk s VAL 295 Ca 0.12 -0.28 -0.03 0.00 -2.93 0.00 0.00 61.98 58.85 3gvk s VAL 295 Cb -0.11 -2.84 0.02 0.00 -1.53 0.00 0.00 36.38 31.93 3gvk s VAL 295 CO 0.01 0.42 0.13 -0.47 -3.33 0.00 0.00 175.10 171.86 3gvk s TYR 296 N 1.06 -0.14 -0.88 1.54 5.04 -0.62 -1.86 117.35 121.50 3gvk s TYR 296 Ca 0.02 0.37 -0.11 0.00 -2.44 0.00 0.00 57.07 54.91 3gvk s TYR 296 Cb -0.14 -0.02 0.23 0.00 0.35 0.00 0.00 41.96 42.38 3gvk s TYR 296 CO 0.02 -0.10 0.81 -1.21 -1.34 0.00 0.00 175.55 173.73 3gvk s GLU 297 N 0.52 3.63 0.13 4.97 2.02 -1.26 -1.91 118.70 126.81 3gvk s GLU 297 Ca -0.04 -2.67 -0.19 0.00 0.02 0.00 0.00 54.97 52.09 3gvk s GLU 297 Cb -0.05 -4.38 -0.01 0.00 0.10 0.00 0.00 34.13 29.79 3gvk s GLU 297 CO -0.02 -1.27 1.74 -0.09 0.02 0.00 0.00 175.26 175.64 3gvk h ARG 298 N 7.39 0.16 -5.11 1.61 2.43 -1.96 -3.37 114.38 115.54 3gvk h ARG 298 Ca 0.12 -0.01 -0.63 0.00 -0.81 0.00 0.00 59.98 58.65 3gvk h ARG 298 Cb 0.99 -0.04 -0.17 0.00 -0.42 0.00 0.00 29.97 30.33 3gvk h ARG 298 CO 0.81 0.11 -0.55 0.42 -1.51 0.00 0.00 179.97 179.25 3gvk s ILE 299 N -6.18 4.98 0.14 1.20 -1.09 -1.26 -5.07 121.20 113.92 3gvk s ILE 299 Ca -0.13 0.04 -0.35 0.00 -2.23 0.00 0.00 60.65 57.99 3gvk s ILE 299 Cb 0.10 -3.30 -0.15 0.00 -1.58 0.00 0.00 42.46 37.53 3gvk s ILE 299 CO 0.69 0.37 1.41 -2.65 -1.23 0.00 0.00 174.94 173.54 3gvk n PRO 300 N 4.23 1.62 -0.66 2.79 -0.02 -1.26 -1.75 135.00 139.95 3gvk n PRO 300 Ca -0.16 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 3gvk n PRO 300 Cb 0.52 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.75 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 2.73 0.78 2.60 -1.23 0.00 -1.26 -4.98 105.19 103.82 3gvk n GLY 301 Ca 0.17 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.22 1.22 -2.21 1.61 6.02 -0.72 -5.10 117.38 115.98 3gvk n GLN 302 Ca 0.00 -3.92 -0.41 0.00 -0.01 0.00 0.00 57.00 52.66 3gvk n GLN 302 Cb 0.00 -1.96 -0.03 0.00 1.02 0.00 0.00 30.24 29.27 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 -1.02 4.41 0.17 -1.09 0.04 -1.26 -4.43 135.00 131.82 3gvk s PRO 303 Ca 0.30 2.08 0.04 0.00 0.04 0.00 0.00 61.00 63.46 3gvk s PRO 303 Cb 0.03 -3.15 -0.05 0.00 0.04 0.00 0.00 34.50 31.37 3gvk s PRO 303 CO -0.16 -0.18 -0.07 -0.51 0.04 0.00 0.00 177.00 176.13 3gvk s LEU 304 N -0.78 2.41 0.10 -3.56 1.43 -0.80 -4.84 118.68 112.62 3gvk s LEU 304 Ca 0.53 -1.08 0.08 0.00 -1.03 0.00 0.00 54.13 52.63 3gvk s LEU 304 Cb -0.37 -0.28 -0.04 0.00 0.03 0.00 0.00 46.19 45.53 3gvk s LEU 304 CO 0.43 -0.41 -0.14 -0.31 0.23 0.00 0.00 176.35 176.15 3gvk s TYR 305 N -3.40 2.64 -0.07 0.29 2.02 -0.31 -1.58 117.35 116.94 3gvk s TYR 305 Ca 0.20 -0.21 -0.01 0.00 -0.37 0.00 0.00 57.07 56.68 3gvk s TYR 305 Cb 0.04 -1.41 0.03 0.00 -0.40 0.00 0.00 41.96 40.22 3gvk s TYR 305 CO 0.02 0.39 0.01 0.71 -1.57 0.00 0.00 175.55 175.11 3gvk s TYR 306 N -1.14 0.59 -0.15 2.71 2.02 0.16 0.00 117.35 121.55 3gvk s TYR 306 Ca 0.19 -0.11 -0.17 0.00 -0.37 0.00 0.00 57.07 56.60 3gvk s TYR 306 Cb -0.11 -0.76 -0.04 0.00 -0.40 0.00 0.00 41.96 40.65 3gvk s TYR 306 CO 0.11 -0.31 0.45 0.00 -1.57 0.00 0.00 175.55 174.23 3gvk s ALA 307 N 2.00 3.51 0.86 3.71 0.00 -0.74 -1.01 121.76 130.09 3gvk s ALA 307 Ca 0.05 -0.29 -0.12 0.00 0.00 0.00 0.00 51.96 51.60 3gvk s ALA 307 Cb -0.12 -2.64 0.11 0.00 0.00 0.00 0.00 23.12 20.47 3gvk s ALA 307 CO -0.05 -0.09 1.16 -1.54 0.00 0.00 0.00 175.76 175.24 3gvk s SER 308 N 0.73 3.97 0.54 0.00 1.04 -0.26 -4.90 113.70 114.82 3gvk s SER 308 Ca 0.24 0.87 -0.21 0.00 0.48 0.00 0.00 55.95 57.32 3gvk s SER 308 Cb -0.15 -1.40 -0.05 0.00 0.10 0.00 0.00 66.02 64.53 3gvk s SER 308 CO 0.09 -2.25 1.25 -1.61 0.98 0.00 0.00 173.24 171.70 3gvk s GLU 309 N -5.43 3.25 -1.30 4.02 0.41 -1.26 -2.71 118.70 115.68 3gvk s GLU 309 Ca 0.63 1.97 0.00 0.00 -0.41 0.00 0.00 54.97 57.16 3gvk s GLU 309 Cb -0.13 -2.18 0.00 0.00 -1.78 0.00 0.00 34.13 30.04 3gvk s GLU 309 CO 0.51 -1.02 0.00 0.39 -0.49 0.00 0.00 175.26 174.65 3gvk n GLU 310 N -1.07 -1.06 -0.08 1.61 1.02 -1.26 -1.98 120.64 117.82 3gvk n GLU 310 Ca 0.11 0.91 -0.19 0.00 -0.02 0.00 0.00 57.16 57.96 3gvk n GLU 310 Cb 0.47 -5.01 -0.12 0.00 -0.02 0.00 0.00 31.44 26.76 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 0.07 -2.86 -0.32 3.57 -1.82 -3.32 116.94 112.26 3gvk h PHE 311 Ca -0.25 -0.05 -0.63 0.00 3.53 0.00 0.00 57.97 60.57 3gvk h PHE 311 Cb 0.90 -0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.59 3gvk h PHE 311 CO 0.41 1.35 -0.45 0.14 -2.23 0.00 0.00 178.31 177.53 3gvk s VAL 312 N -2.34 5.38 -1.23 1.41 -7.23 -1.26 -4.98 120.40 110.14 3gvk s VAL 312 Ca -0.24 -0.03 -0.15 0.00 -1.81 0.00 0.00 61.98 59.75 3gvk s VAL 312 Cb 0.03 -3.55 0.14 0.00 0.56 0.00 0.00 36.38 33.56 3gvk s VAL 312 CO 0.65 0.33 1.52 -1.58 -0.31 0.00 0.00 175.10 175.70 3gvk s GLN 313 N -1.90 4.07 0.26 4.82 0.74 -1.26 -4.92 119.66 121.47 3gvk s GLN 313 Ca 0.28 -2.43 -0.06 0.00 0.05 0.00 0.00 55.36 53.20 3gvk s GLN 313 Cb -0.13 -5.19 -0.01 0.00 1.10 0.00 0.00 33.01 28.78 3gvk s GLN 313 CO 0.18 -1.90 0.37 0.20 -0.55 0.00 0.00 175.29 173.59 3gvk s GLY 314 N 3.19 1.11 -0.17 2.59 0.00 -1.26 -0.49 107.32 112.30 3gvk s GLY 314 Ca 0.46 -1.33 -0.20 0.00 0.00 0.00 0.00 44.72 43.65 3gvk s GLY 314 CO 0.02 -0.98 0.54 1.85 0.00 0.00 0.00 173.10 174.53 3gvk s GLU 315 N -3.79 0.69 -0.01 2.90 2.12 -0.27 -4.96 118.70 115.38 3gvk s GLU 315 Ca 0.30 0.61 -0.16 0.00 0.36 0.00 0.00 54.97 56.08 3gvk s GLU 315 Cb 0.02 0.33 -0.06 0.00 0.26 0.00 0.00 34.13 34.68 3gvk s GLU 315 CO 0.14 -0.12 0.46 -1.17 -0.54 0.00 0.00 175.26 174.02 3gvk s LEU 316 N -0.04 4.44 0.01 2.70 2.96 -1.26 -0.98 118.68 126.50 3gvk s LEU 316 Ca -0.03 0.99 0.08 0.00 -0.22 0.00 0.00 54.13 54.95 3gvk s LEU 316 Cb -0.04 -2.67 -0.02 0.00 0.50 0.00 0.00 46.19 43.96 3gvk s LEU 316 CO 0.02 0.24 -0.24 -0.36 -1.32 0.00 0.00 176.35 174.69 3gvk s PHE 317 N -0.70 2.14 -0.09 5.38 0.08 0.63 -4.98 117.98 120.45 3gvk s PHE 317 Ca 0.25 -0.40 -0.19 0.00 0.12 0.00 0.00 56.93 56.70 3gvk s PHE 317 Cb -0.17 -1.34 -0.04 0.00 -0.57 0.00 0.00 43.02 40.90 3gvk s PHE 317 CO 0.14 0.02 0.54 0.21 -0.10 0.00 0.00 175.22 176.03 3gvk s LYS 318 N -0.82 4.35 0.00 0.44 2.20 -1.26 -0.19 119.74 124.46 3gvk s LYS 318 Ca 0.10 0.57 0.00 0.00 -0.36 0.00 0.00 55.97 56.27 3gvk s LYS 318 Cb -0.09 -3.43 0.00 0.00 -1.51 0.00 0.00 37.83 32.80 3gvk s LYS 318 CO 0.00 0.17 0.00 0.44 -0.36 0.00 0.00 175.35 175.60 3gvk n ILE 319 N 3.58 0.00 -4.30 5.43 -5.35 0.41 -4.93 119.36 114.21 3gvk n ILE 319 Ca -0.06 -0.20 -0.20 0.00 -0.27 0.00 0.00 62.75 62.02 3gvk n ILE 319 Cb 0.52 0.70 -0.11 0.00 -1.74 0.00 0.00 39.64 39.00 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 -1.21 1.62 -0.46 7.28 -4.23 -1.04 -4.83 115.64 112.78 3gvk s THR 320 Ca 0.00 -1.87 0.07 0.00 -1.18 0.00 0.00 61.69 58.70 3gvk s THR 320 Cb 0.00 -1.75 0.23 0.00 1.34 0.00 0.00 72.50 72.32 3gvk s THR 320 CO 0.00 -0.39 0.71 -0.67 -0.54 0.00 0.00 174.62 173.73 3gvk n ASP 321 N 0.31 -1.95 -4.29 3.99 2.03 -1.26 -4.24 116.55 111.15 3gvk n ASP 321 Ca -0.13 -2.98 -0.19 0.00 0.52 0.00 0.00 54.79 52.00 3gvk n ASP 321 Cb 0.57 0.92 -0.11 0.00 -0.72 0.00 0.00 41.12 41.79 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 0.17 1.57 -0.40 5.18 -4.23 -1.26 -5.05 115.64 111.61 3gvk s THR 322 Ca 0.33 -1.91 0.25 0.00 -1.18 0.00 0.00 61.69 59.17 3gvk s THR 322 Cb 0.15 -1.77 0.27 0.00 1.34 0.00 0.00 72.50 72.50 3gvk s THR 322 CO -0.17 -0.45 1.75 -0.65 -0.54 0.00 0.00 174.62 174.56 3gvk h PRO 323 N 3.17 0.00 -7.29 3.99 0.11 -1.86 -3.45 132.00 126.67 3gvk h PRO 323 Ca -0.40 0.00 -0.51 0.00 0.11 0.00 0.00 66.00 65.20 3gvk h PRO 323 Cb 1.20 0.00 0.16 0.00 0.11 0.00 0.00 31.00 32.48 3gvk h PRO 323 CO 0.54 0.00 0.26 0.71 -0.21 0.00 0.00 178.00 179.30 3gvk s TYR 324 N -3.36 2.12 -0.75 0.65 2.02 -1.26 -0.74 117.35 116.02 3gvk s TYR 324 Ca 0.04 1.60 -0.26 0.00 -0.37 0.00 0.00 57.07 58.08 3gvk s TYR 324 Cb 0.09 -3.18 0.01 0.00 -0.40 0.00 0.00 41.96 38.48 3gvk s TYR 324 CO 0.41 -2.35 1.57 -0.47 -1.57 0.00 0.00 175.55 173.14 3gvk s TYR 325 N -2.79 2.05 -0.42 2.71 6.04 0.72 -4.46 117.35 121.20 3gvk s TYR 325 Ca 0.64 0.21 -0.13 0.00 0.04 0.00 0.00 57.07 57.82 3gvk s TYR 325 Cb -0.20 -4.39 0.05 0.00 -1.04 0.00 0.00 41.96 36.38 3gvk s TYR 325 CO 0.57 -2.10 0.30 -0.80 -1.54 0.00 0.00 175.55 171.98 3gvk s ASN 326 N 5.86 5.96 0.11 4.32 0.02 -0.89 -1.20 114.94 129.13 3gvk s ASN 326 Ca 0.51 -1.16 -0.02 0.00 -1.02 0.00 0.00 52.86 51.17 3gvk s ASN 326 Cb -0.08 -2.11 0.01 0.00 0.02 0.00 0.00 41.25 39.09 3gvk s ASN 326 CO 0.12 -0.51 0.19 0.00 0.02 0.00 0.00 177.10 176.92 3gvk n ALA 327 N 5.10 -0.31 -3.42 0.60 0.00 -0.98 -2.85 120.51 118.65 3gvk n ALA 327 Ca -0.11 -0.44 -0.19 0.00 0.00 0.00 0.00 53.44 52.70 3gvk n ALA 327 Cb 0.45 0.35 0.07 0.00 0.00 0.00 0.00 19.45 20.32 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 -0.17 -2.24 0.32 0.00 8.01 -1.26 -1.76 117.44 120.34 3gvk n TRP 328 Ca -0.01 0.83 0.21 0.00 -1.31 0.00 0.00 57.50 57.21 3gvk n TRP 328 Cb 0.18 -4.34 1.06 0.00 -2.01 0.00 0.00 31.31 26.20 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 -1.52 0.00 -6.32 -0.99 0.11 -1.73 -3.34 132.00 118.21 3gvk h PRO 329 Ca -0.61 0.00 -0.66 0.00 0.11 0.00 0.00 66.00 64.84 3gvk h PRO 329 Cb 1.33 0.00 0.05 0.00 0.11 0.00 0.00 31.00 32.49 3gvk h PRO 329 CO 0.48 0.00 0.62 0.00 -0.21 0.00 0.00 178.00 178.89 3gvk n GLN 330 N -3.12 1.45 -3.88 1.05 10.64 -0.42 -0.89 117.38 122.22 3gvk n GLN 330 Ca -0.02 0.53 -0.29 0.00 -1.83 0.00 0.00 57.00 55.38 3gvk n GLN 330 Cb 0.14 -2.21 -0.13 0.00 -0.86 0.00 0.00 30.24 27.17 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 1.06 4.20 0.00 2.61 2.15 0.08 -4.43 116.67 122.34 3gvk s ASP 331 Ca 0.85 -3.10 0.00 0.00 0.43 0.00 0.00 52.55 50.73 3gvk s ASP 331 Cb -0.88 -1.48 0.00 0.00 -0.30 0.00 0.00 42.92 40.25 3gvk s ASP 331 CO 0.47 -0.21 0.00 0.29 -0.17 0.00 0.00 175.17 175.55 3gvk n LYS 332 N 2.97 5.16 -2.10 4.34 5.02 -0.07 -3.85 118.16 129.64 3gvk n LYS 332 Ca 0.09 -0.00 -0.37 0.00 -2.02 0.00 0.00 58.31 56.01 3gvk n LYS 332 Cb 0.33 -0.37 0.01 0.00 -0.02 0.00 0.00 35.03 34.98 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 -0.74 2.91 0.19 7.82 0.00 -1.26 -4.57 121.76 126.10 3gvk s ALA 333 Ca 0.00 1.06 -0.19 0.00 0.00 0.00 0.00 51.96 52.83 3gvk s ALA 333 Cb 0.00 -3.44 0.04 0.00 0.00 0.00 0.00 23.12 19.71 3gvk s ALA 333 CO 0.00 -0.91 0.55 -0.59 0.00 0.00 0.00 175.76 174.82 3gvk s PHE 334 N -1.47 -0.24 -0.12 0.00 -0.12 -1.09 -4.87 117.98 110.07 3gvk s PHE 334 Ca 0.67 -0.08 0.01 0.00 -0.05 0.00 0.00 56.93 57.48 3gvk s PHE 334 Cb -0.32 0.46 -0.02 0.00 -0.63 0.00 0.00 43.02 42.51 3gvk s PHE 334 CO 0.39 -0.91 -0.14 0.08 -0.05 0.00 0.00 175.22 174.59 3gvk s VAL 335 N -3.84 3.00 -0.04 -2.49 1.01 -1.26 -1.14 120.40 115.65 3gvk s VAL 335 Ca 0.07 -0.69 -0.02 0.00 0.00 0.00 0.00 61.98 61.34 3gvk s VAL 335 Cb -0.01 -2.24 0.03 0.00 0.00 0.00 0.00 36.38 34.15 3gvk s VAL 335 CO -0.05 0.54 0.05 -0.47 0.00 0.00 0.00 175.10 175.17 3gvk s TYR 336 N 0.19 0.06 -1.19 5.22 5.04 -0.38 -4.93 117.35 121.38 3gvk s TYR 336 Ca -0.08 0.23 -0.31 0.00 -2.44 0.00 0.00 57.07 54.46 3gvk s TYR 336 Cb -0.15 -0.44 0.04 0.00 0.35 0.00 0.00 41.96 41.76 3gvk s TYR 336 CO 0.05 -0.17 0.70 0.39 -1.34 0.00 0.00 175.55 175.18 3gvk n GLU 337 N 5.07 -0.45 -0.49 4.97 1.02 -1.26 -2.03 120.64 127.48 3gvk n GLU 337 Ca -0.08 0.17 0.00 0.00 -0.02 0.00 0.00 57.16 57.22 3gvk n GLU 337 Cb 0.50 -2.78 0.00 0.00 -0.02 0.00 0.00 31.44 29.14 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 -2.25 0.00 -4.62 1.62 4.13 -1.26 -5.01 115.26 107.87 3gvk n ASN 338 Ca -0.11 0.00 -0.34 0.00 1.68 0.00 0.00 54.58 55.80 3gvk n ASN 338 Cb 0.57 -0.14 -0.10 0.00 -1.54 0.00 0.00 39.78 38.57 3gvk n ASN 338 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3gvk s VAL 339 N -3.32 4.35 -0.20 2.41 1.01 -0.86 -4.81 120.40 118.97 3gvk s VAL 339 Ca 0.00 -0.21 -0.16 0.00 0.00 0.00 0.00 61.98 61.61 3gvk s VAL 339 Cb 0.00 -2.89 -0.04 0.00 0.00 0.00 0.00 36.38 33.45 3gvk s VAL 339 CO 0.00 0.53 0.43 -0.63 0.00 0.00 0.00 175.10 175.43 3gvk s ILE 340 N -0.18 5.17 -0.17 2.22 1.01 -0.95 -1.24 121.20 127.06 3gvk s ILE 340 Ca 0.05 0.77 -0.05 0.00 0.00 0.00 0.00 60.65 61.42 3gvk s ILE 340 Cb -0.12 -3.76 -0.03 0.00 0.01 0.00 0.00 42.46 38.56 3gvk s ILE 340 CO 0.02 0.23 -0.01 -0.31 0.00 0.00 0.00 174.94 174.87 3gvk s TYR 341 N 1.43 3.07 -0.65 3.97 2.02 -0.29 -0.78 117.35 126.12 3gvk s TYR 341 Ca 0.20 -0.27 0.04 0.00 -0.37 0.00 0.00 57.07 56.67 3gvk s TYR 341 Cb -0.15 -2.02 0.16 0.00 -0.40 0.00 0.00 41.96 39.55 3gvk s TYR 341 CO 0.08 -0.06 0.42 0.00 -1.57 0.00 0.00 175.55 174.43 3gvk s ALA 342 N 0.54 3.66 0.55 3.71 0.00 -0.05 -2.68 121.76 127.49 3gvk s ALA 342 Ca -0.01 -3.65 -0.16 0.00 0.00 0.00 0.00 51.96 48.13 3gvk s ALA 342 Cb -0.14 -2.19 -0.06 0.00 0.00 0.00 0.00 23.12 20.73 3gvk s ALA 342 CO 0.02 -2.07 1.01 -2.14 0.00 0.00 0.00 175.76 172.58 3gvk s PRO 343 N -1.06 3.71 0.14 0.00 0.02 -1.26 -2.40 135.00 134.15 3gvk s PRO 343 Ca 0.22 1.04 -0.06 0.00 0.02 0.00 0.00 61.00 62.22 3gvk s PRO 343 Cb -0.12 -2.10 0.02 0.00 0.02 0.00 0.00 34.50 32.33 3gvk s PRO 343 CO -0.11 -0.47 0.32 2.48 -0.33 0.00 0.00 177.00 178.88 3gvk n TYR 344 N -1.78 -1.43 -4.76 6.54 0.18 0.43 -4.20 117.16 112.14 3gvk n TYR 344 Ca 0.07 -0.68 -0.31 0.00 1.88 0.00 0.00 57.90 58.87 3gvk n TYR 344 Cb 0.54 0.34 -0.17 0.00 -0.38 0.00 0.00 39.34 39.67 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 -2.03 2.70 -0.35 -3.48 -1.94 -0.72 -1.10 119.30 112.38 3gvk s MET 345 Ca 0.06 -0.75 -0.08 0.00 -1.71 0.00 0.00 55.69 53.21 3gvk s MET 345 Cb -0.02 -2.17 0.03 0.00 2.01 0.00 0.00 34.83 34.69 3gvk s MET 345 CO 0.04 0.03 0.15 0.20 -0.01 0.00 0.00 175.02 175.43 3gvk s GLY 346 N 0.71 1.88 0.00 -0.03 0.00 -0.69 -2.31 107.32 106.88 3gvk s GLY 346 Ca -0.11 -1.69 0.00 0.00 0.00 0.00 0.00 44.72 42.92 3gvk s GLY 346 CO 0.02 0.79 0.00 -1.14 0.00 0.00 0.00 173.10 172.77 3gvk n SER 347 N 4.90 0.76 -0.08 1.64 3.41 -0.34 -1.39 113.62 122.53 3gvk n SER 347 Ca -0.12 0.00 0.01 0.00 -0.26 0.00 0.00 58.87 58.50 3gvk n SER 347 Cb 0.46 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.42 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 1.23 -3.66 4.04 5.68 -1.07 -0.20 116.55 122.57 3gvk n ASP 348 Ca 0.00 -1.15 -0.01 0.00 -0.50 0.00 0.00 54.79 53.13 3gvk n ASP 348 Cb 0.00 -0.00 -0.00 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 -0.22 0.89 -1.07 0.11 1.70 -1.26 -4.84 118.95 114.26 3gvk s ARG 349 Ca 0.02 -0.51 -0.24 0.00 -0.47 0.00 0.00 55.73 54.54 3gvk s ARG 349 Cb 0.02 0.29 -0.09 0.00 -0.57 0.00 0.00 34.95 34.60 3gvk s ARG 349 CO 0.02 -0.41 1.98 0.00 -1.08 0.00 0.00 175.30 175.81 3gvk s ALA 350 N -2.77 1.58 0.00 7.88 0.00 -1.26 -4.64 121.76 122.54 3gvk s ALA 350 Ca 0.15 -1.83 0.00 0.00 0.00 0.00 0.00 51.96 50.28 3gvk s ALA 350 Cb 0.01 -4.64 0.00 0.00 0.00 0.00 0.00 23.12 18.49 3gvk s ALA 350 CO 0.00 -5.30 0.00 0.41 0.00 0.00 0.00 175.76 170.87 3gvk n GLY 351 N 6.20 -1.48 0.80 0.00 0.00 -1.26 -5.04 105.19 104.41 3gvk n GLY 351 Ca 0.43 -1.14 0.10 0.00 0.00 0.00 0.00 46.02 45.40 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 6.08 0.10 -1.72 1.61 0.24 -1.26 -4.83 118.33 118.55 3gvk n VAL 352 Ca 0.00 -0.55 -0.43 0.00 -2.04 0.00 0.00 64.34 61.32 3gvk n VAL 352 Cb 0.00 1.31 -0.03 0.00 -1.47 0.00 0.00 33.84 33.66 3gvk n VAL 352 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 3gvk n SER 353 N 1.10 3.65 -1.35 -1.34 2.88 -1.26 -2.22 113.62 115.07 3gvk n SER 353 Ca 0.12 1.11 -0.15 0.00 -1.33 0.00 0.00 58.87 58.62 3gvk n SER 353 Cb 0.49 -1.54 -0.06 0.00 -0.75 0.00 0.00 64.21 62.34 3gvk n SER 353 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3gvk n ARG 354 N 2.89 -1.39 -2.87 -1.46 1.74 -1.26 -2.60 116.66 111.71 3gvk n ARG 354 Ca 0.13 0.90 -0.41 0.00 -0.77 0.00 0.00 57.85 57.69 3gvk n ARG 354 Cb 0.34 -5.17 -0.04 0.00 -1.02 0.00 0.00 32.46 26.57 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 -3.80 4.37 -0.11 0.55 0.20 -0.94 -4.45 118.68 114.49 3gvk s LEU 355 Ca 0.00 1.47 0.03 0.00 0.69 0.00 0.00 54.13 56.32 3gvk s LEU 355 Cb 0.00 -3.35 0.00 0.00 -0.43 0.00 0.00 46.19 42.41 3gvk s LEU 355 CO 0.00 -0.16 -0.23 -1.00 -0.29 0.00 0.00 176.35 174.67 3gvk s HIS 356 N 0.72 2.60 0.06 5.38 3.76 -0.48 -4.67 115.29 122.65 3gvk s HIS 356 Ca 0.45 -1.14 -0.31 0.00 -0.15 0.00 0.00 55.06 53.91 3gvk s HIS 356 Cb -0.20 -1.75 -0.08 0.00 1.11 0.00 0.00 32.58 31.67 3gvk s HIS 356 CO 0.24 -0.48 1.60 0.08 -0.85 0.00 0.00 174.74 175.33 3gvk s VAL 357 N 0.50 3.15 0.22 -0.90 1.01 -1.26 -1.70 120.40 121.41 3gvk s VAL 357 Ca -0.15 0.60 0.02 0.00 0.00 0.00 0.00 61.98 62.45 3gvk s VAL 357 Cb -0.17 -3.39 -0.05 0.00 0.00 0.00 0.00 36.38 32.77 3gvk s VAL 357 CO 0.05 0.00 0.05 -0.44 0.00 0.00 0.00 175.10 174.76 3gvk s SER 358 N 2.23 1.32 0.05 3.32 0.01 -0.26 0.11 113.70 120.48 3gvk s SER 358 Ca 0.72 -1.28 -0.06 0.00 1.31 0.00 0.00 55.95 56.64 3gvk s SER 358 Cb -0.38 0.12 -0.01 0.00 0.21 0.00 0.00 66.02 65.95 3gvk s SER 358 CO 0.31 -0.63 0.10 -1.66 0.41 0.00 0.00 173.24 171.77 3gvk s TRP 359 N -3.66 0.23 0.15 2.43 -2.14 -0.68 -0.43 118.94 114.85 3gvk s TRP 359 Ca 0.31 -0.59 0.09 0.00 2.66 0.00 0.00 56.10 58.58 3gvk s TRP 359 Cb 0.07 -0.16 -0.04 0.00 -3.10 0.00 0.00 33.47 30.24 3gvk s TRP 359 CO 0.09 -0.41 -0.17 0.14 -2.66 0.00 0.00 176.95 173.95 3gvk s VAL 360 N -3.03 2.85 0.14 -0.66 -7.23 -1.01 -1.58 120.40 109.88 3gvk s VAL 360 Ca -0.01 -1.66 0.08 0.00 -1.81 0.00 0.00 61.98 58.57 3gvk s VAL 360 Cb 0.01 -2.35 -0.04 0.00 0.56 0.00 0.00 36.38 34.56 3gvk s VAL 360 CO -0.07 -0.01 -0.18 -0.54 -0.31 0.00 0.00 175.10 173.99 3gvk s LYS 361 N -2.47 1.17 -0.11 4.82 1.02 -1.26 -0.87 119.74 122.03 3gvk s LYS 361 Ca 0.21 -1.30 0.03 0.00 0.02 0.00 0.00 55.97 54.94 3gvk s LYS 361 Cb -0.09 -1.23 0.00 0.00 -0.52 0.00 0.00 37.83 35.99 3gvk s LYS 361 CO 0.12 0.26 -0.22 0.45 -0.92 0.00 0.00 175.35 175.03 3gvk s SER 362 N -2.41 2.97 -0.03 2.83 0.15 0.04 -0.64 113.70 116.61 3gvk s SER 362 Ca 0.11 -0.54 0.19 0.00 0.70 0.00 0.00 55.95 56.41 3gvk s SER 362 Cb -0.07 -1.36 0.58 0.00 -1.71 0.00 0.00 66.02 63.46 3gvk s SER 362 CO 0.05 0.13 1.48 0.61 1.20 0.00 0.00 173.24 176.71 3gvk n GLY 363 N 3.68 2.67 2.66 9.45 0.00 -1.26 -2.23 105.19 120.17 3gvk n GLY 363 Ca -0.19 -0.71 -0.04 0.00 0.00 0.00 0.00 46.02 45.08 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 1.20 2.07 -3.22 1.61 5.68 -1.26 -4.99 116.55 117.64 3gvk n ASP 364 Ca 0.22 -2.29 -0.23 0.00 -0.50 0.00 0.00 54.79 51.98 3gvk n ASP 364 Cb 0.64 -0.45 0.05 0.00 -1.14 0.00 0.00 41.12 40.21 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 -0.59 -6.06 0.00 -1.12 8.00 -1.26 -3.13 116.55 112.39 3gvk n ASP 365 Ca 0.13 -0.37 0.00 0.00 0.71 0.00 0.00 54.79 55.25 3gvk n ASP 365 Cb 0.84 -4.86 0.00 0.00 -0.02 0.00 0.00 41.12 37.07 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 -1.65 0.72 0.17 0.44 0.00 -1.26 -4.97 105.19 98.65 3gvk n GLY 366 Ca -0.07 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.78 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 3.92 0.56 -4.88 1.61 4.20 -1.96 -3.46 115.11 115.09 3gvk h GLN 367 Ca 0.00 -0.50 -0.29 0.00 0.06 0.00 0.00 58.65 57.91 3gvk h GLN 367 Cb 0.00 0.12 -0.17 0.00 0.30 0.00 0.00 27.48 27.73 3gvk h GLN 367 CO 0.00 1.13 -0.72 0.95 -0.67 0.00 0.00 178.83 179.52 3gvk s THR 368 N -3.54 0.90 0.09 -0.54 -4.23 -1.26 -5.08 115.64 101.97 3gvk s THR 368 Ca -0.12 -1.76 0.05 0.00 -1.18 0.00 0.00 61.69 58.67 3gvk s THR 368 Cb 0.06 -1.49 -0.03 0.00 1.34 0.00 0.00 72.50 72.37 3gvk s THR 368 CO 0.85 -0.66 -0.13 0.26 -0.54 0.00 0.00 174.62 174.40 3gvk s TRP 369 N -2.85 1.20 0.78 3.99 0.52 -1.26 -4.24 118.94 117.07 3gvk s TRP 369 Ca 0.08 -0.53 -0.09 0.00 0.02 0.00 0.00 56.10 55.59 3gvk s TRP 369 Cb -0.00 -0.66 0.10 0.00 -1.15 0.00 0.00 33.47 31.76 3gvk s TRP 369 CO -0.01 0.06 1.10 -1.54 0.02 0.00 0.00 176.95 176.58 3gvk s SER 370 N -2.06 4.38 0.19 2.95 1.04 0.18 -4.93 113.70 115.45 3gvk s SER 370 Ca 0.02 0.40 -0.31 0.00 0.48 0.00 0.00 55.95 56.53 3gvk s SER 370 Cb -0.07 -0.87 -0.10 0.00 0.10 0.00 0.00 66.02 65.08 3gvk s SER 370 CO 0.02 -1.90 1.48 -0.89 0.98 0.00 0.00 173.24 172.93 3gvk s THR 371 N -3.42 2.78 0.27 2.02 2.01 -1.26 -4.61 115.64 113.43 3gvk s THR 371 Ca 0.64 0.59 -0.30 0.00 0.31 0.00 0.00 61.69 62.93 3gvk s THR 371 Cb -0.09 -3.38 -0.14 0.00 0.01 0.00 0.00 72.50 68.91 3gvk s THR 371 CO 0.47 0.07 1.23 -2.65 -0.69 0.00 0.00 174.62 173.04 3gvk n PRO 372 N 3.32 1.73 -4.74 4.92 -0.02 -1.26 -4.86 135.00 134.09 3gvk n PRO 372 Ca 0.11 0.61 -0.33 0.00 -2.02 0.00 0.00 63.50 61.87 3gvk n PRO 372 Cb 0.40 -2.14 -0.13 0.00 -0.02 0.00 0.00 33.50 31.60 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 -1.11 3.14 -0.13 -0.52 2.12 -0.61 -4.98 118.70 116.60 3gvk s GLU 373 Ca 0.63 -0.65 -0.26 0.00 0.36 0.00 0.00 54.97 55.05 3gvk s GLU 373 Cb -0.67 -2.60 -0.02 0.00 0.26 0.00 0.00 34.13 31.09 3gvk s GLU 373 CO 0.56 0.37 0.84 -1.58 -0.54 0.00 0.00 175.26 174.91 3gvk s TRP 374 N -0.05 3.47 -0.12 5.30 0.51 -1.26 -1.68 118.94 125.11 3gvk s TRP 374 Ca -0.02 1.32 0.17 0.00 -2.12 0.00 0.00 56.10 55.45 3gvk s TRP 374 Cb -0.14 -3.00 -0.20 0.00 -0.81 0.00 0.00 33.47 29.32 3gvk s TRP 374 CO 0.04 -0.16 0.57 1.28 -0.51 0.00 0.00 176.95 178.16 3gvk n LEU 375 N 4.85 0.55 -4.36 2.99 4.77 0.12 -4.92 117.00 121.00 3gvk n LEU 375 Ca 0.04 0.25 -0.28 0.00 -0.03 0.00 0.00 56.01 55.99 3gvk n LEU 375 Cb 0.49 0.19 -0.13 0.00 -2.33 0.00 0.00 43.42 41.64 3gvk n LEU 375 CO 0.49 0.25 -0.56 0.42 -1.33 0.00 0.00 177.39 176.66 3gvk s THR 376 N -2.83 2.12 0.62 -5.08 -4.23 -1.15 -4.99 115.64 100.10 3gvk s THR 376 Ca -0.06 -1.64 -0.03 0.00 -1.18 0.00 0.00 61.69 58.79 3gvk s THR 376 Cb 0.08 -1.87 0.04 0.00 1.34 0.00 0.00 72.50 72.10 3gvk s THR 376 CO 0.83 0.12 0.90 -1.81 -0.54 0.00 0.00 174.62 174.11 3gvk s ASP 377 N -1.86 5.13 0.33 3.99 1.01 -1.26 -4.53 116.67 119.47 3gvk s ASP 377 Ca 0.12 0.31 -0.29 0.00 0.71 0.00 0.00 52.55 53.39 3gvk s ASP 377 Cb -0.10 -1.11 -0.11 0.00 1.01 0.00 0.00 42.92 42.60 3gvk s ASP 377 CO 0.05 -1.32 1.55 0.18 0.21 0.00 0.00 175.17 175.84 3gvk n LEU 378 N -2.63 4.52 -4.67 1.23 4.77 -1.26 -4.81 117.00 114.15 3gvk n LEU 378 Ca 0.07 1.18 -0.41 0.00 -0.03 0.00 0.00 56.01 56.82 3gvk n LEU 378 Cb 0.60 -1.60 0.01 0.00 -2.33 0.00 0.00 43.42 40.09 3gvk n LEU 378 CO 0.49 0.15 0.80 1.57 -1.33 0.00 0.00 177.39 179.08 3gvk n HIS 379 N 1.45 1.89 -0.23 -1.77 -0.00 -1.26 -4.88 115.22 110.42 3gvk n HIS 379 Ca 0.06 0.53 0.30 0.00 -0.00 0.00 0.00 57.72 58.60 3gvk n HIS 379 Cb 0.38 -2.34 0.71 0.00 -0.00 0.00 0.00 29.99 28.74 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 1.99 0.03 -0.59 1.57 0.11 -1.91 -0.50 132.00 132.71 3gvk h PRO 380 Ca -0.46 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3gvk h PRO 380 Cb 1.31 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.41 3gvk h PRO 380 CO 0.59 0.02 0.00 -0.25 -0.21 0.00 0.00 178.00 178.16 3gvk n ASP 381 N -4.27 5.44 -4.76 -2.05 8.00 -1.26 -4.96 116.55 112.68 3gvk n ASP 381 Ca 0.21 -2.81 -0.41 0.00 0.71 0.00 0.00 54.79 52.49 3gvk n ASP 381 Cb 1.03 -0.65 0.00 0.00 -0.02 0.00 0.00 41.12 41.47 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 0.71 2.80 -0.81 1.24 9.36 -0.20 -1.25 117.16 129.02 3gvk n TYR 382 Ca 0.27 0.46 -0.03 0.00 3.32 0.00 0.00 57.90 61.93 3gvk n TYR 382 Cb 1.11 -2.50 0.30 0.00 -0.63 0.00 0.00 39.34 37.63 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 0.33 3.76 0.00 2.98 -0.04 -1.26 -4.91 135.00 135.86 3gvk n PRO 383 Ca 0.03 -2.81 -0.17 0.00 -0.04 0.00 0.00 63.50 60.51 3gvk n PRO 383 Cb 0.39 -2.15 -0.12 0.00 -0.04 0.00 0.00 33.50 31.57 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 2.73 1.50 -3.81 0.52 2.02 -1.58 -3.41 112.91 110.88 3gvk h THR 384 Ca 0.19 -2.19 -0.24 0.00 0.77 0.00 0.00 66.41 64.94 3gvk h THR 384 Cb 2.12 2.85 -0.15 0.00 -1.74 0.00 0.00 68.15 71.23 3gvk h THR 384 CO 0.63 0.62 -0.69 0.68 0.37 0.00 0.00 175.52 177.13 3gvk s VAL 385 N -2.92 0.68 0.23 3.16 -7.23 -1.18 -2.06 120.40 111.08 3gvk s VAL 385 Ca -0.14 -1.95 -0.16 0.00 -1.81 0.00 0.00 61.98 57.92 3gvk s VAL 385 Cb 0.02 -1.83 0.01 0.00 0.56 0.00 0.00 36.38 35.13 3gvk s VAL 385 CO 0.80 -0.73 0.53 0.21 -0.31 0.00 0.00 175.10 175.59 3gvk s ASN 386 N -3.09 -0.17 0.86 4.85 2.47 -0.43 -3.29 114.94 116.15 3gvk s ASN 386 Ca 0.16 -0.72 -0.12 0.00 0.42 0.00 0.00 52.86 52.60 3gvk s ASN 386 Cb 0.05 0.60 0.11 0.00 -1.45 0.00 0.00 41.25 40.56 3gvk s ASN 386 CO -0.02 -1.14 1.12 -0.31 -3.72 0.00 0.00 177.10 173.04 3gvk s TYR 387 N -3.95 2.65 -0.28 0.43 2.02 -1.26 -1.30 117.35 115.65 3gvk s TYR 387 Ca 0.16 0.99 -0.24 0.00 -0.37 0.00 0.00 57.07 57.60 3gvk s TYR 387 Cb -0.02 -3.27 0.11 0.00 -0.40 0.00 0.00 41.96 38.38 3gvk s TYR 387 CO 0.04 -2.11 0.93 -1.58 -1.57 0.00 0.00 175.55 171.26 3gvk s HIS 388 N -3.22 -0.58 -0.19 2.71 5.65 -0.59 -4.82 115.29 114.25 3gvk s HIS 388 Ca 0.62 1.40 -0.10 0.00 0.25 0.00 0.00 55.06 57.23 3gvk s HIS 388 Cb -0.15 0.34 0.07 0.00 -1.18 0.00 0.00 32.58 31.66 3gvk s HIS 388 CO 0.54 -0.28 0.45 0.00 -0.65 0.00 0.00 174.74 174.80 3gvk n MET 390 N 4.47 1.45 -3.74 0.00 2.81 -1.25 -4.87 117.12 115.99 3gvk n MET 390 Ca -0.20 -0.98 -0.23 0.00 -1.81 0.00 0.00 57.70 54.47 3gvk n MET 390 Cb 0.55 -0.76 -0.17 0.00 -0.71 0.00 0.00 33.22 32.13 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 -0.49 1.75 -0.19 7.83 0.15 -1.25 -0.74 113.70 120.76 3gvk s SER 391 Ca 0.00 -0.20 -0.22 0.00 0.70 0.00 0.00 55.95 56.23 3gvk s SER 391 Cb 0.00 -0.39 0.06 0.00 -1.71 0.00 0.00 66.02 63.97 3gvk s SER 391 CO 0.00 -0.23 0.59 -0.32 1.20 0.00 0.00 173.24 174.48 3gvk s MET 392 N 2.00 0.75 0.00 5.44 1.75 -1.26 -1.50 119.30 126.48 3gvk s MET 392 Ca 0.04 0.69 -0.03 0.00 -1.25 0.00 0.00 55.69 55.14 3gvk s MET 392 Cb -0.13 0.36 0.01 0.00 2.84 0.00 0.00 34.83 37.91 3gvk s MET 392 CO -0.06 -0.12 0.12 0.41 -0.65 0.00 0.00 175.02 174.72 3gvk n GLY 393 N 2.40 0.70 3.25 2.11 0.00 -0.28 -4.57 105.19 108.80 3gvk n GLY 393 Ca -0.15 -0.87 -0.31 0.00 0.00 0.00 0.00 46.02 44.70 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 -2.20 1.97 -0.05 1.61 1.01 -1.26 -0.16 120.40 121.33 3gvk s VAL 394 Ca 0.03 -1.02 -0.00 0.00 0.00 0.00 0.00 61.98 60.98 3gvk s VAL 394 Cb -0.00 -1.67 0.03 0.00 0.00 0.00 0.00 36.38 34.74 3gvk s VAL 394 CO 0.00 0.55 0.01 0.00 0.00 0.00 0.00 175.10 175.66 3gvk n ARG 396 N 4.65 -0.36 -1.33 0.00 0.63 -1.26 -1.64 116.66 117.35 3gvk n ARG 396 Ca -0.16 0.05 -0.11 0.00 -0.92 0.00 0.00 57.85 56.71 3gvk n ARG 396 Cb 0.50 -2.63 -0.05 0.00 0.45 0.00 0.00 32.46 30.73 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 -2.25 -4.60 -4.20 6.15 5.03 -1.26 -4.30 115.26 109.83 3gvk n ASN 397 Ca -0.16 0.28 -0.26 0.00 0.87 0.00 0.00 54.58 55.31 3gvk n ASN 397 Cb 0.58 -3.08 -0.15 0.00 -1.02 0.00 0.00 39.78 36.11 3gvk n ASN 397 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 3gvk s ARG 398 N -2.85 1.57 0.00 3.52 0.52 -0.65 -1.40 118.95 119.67 3gvk s ARG 398 Ca 0.00 -0.71 -0.30 0.00 -0.52 0.00 0.00 55.73 54.20 3gvk s ARG 398 Cb 0.00 -1.52 -0.03 0.00 0.52 0.00 0.00 34.95 33.91 3gvk s ARG 398 CO 0.00 0.42 1.05 -1.17 0.02 0.00 0.00 175.30 175.62 3gvk s LEU 399 N -0.49 4.35 -0.05 2.53 2.96 0.10 -1.25 118.68 126.84 3gvk s LEU 399 Ca 0.07 1.74 0.06 0.00 -0.22 0.00 0.00 54.13 55.79 3gvk s LEU 399 Cb -0.08 -3.57 -0.02 0.00 0.50 0.00 0.00 46.19 43.03 3gvk s LEU 399 CO -0.01 -0.35 -0.23 -0.36 -1.32 0.00 0.00 176.35 174.08 3gvk s PHE 400 N 1.19 2.45 -0.07 5.38 0.08 0.77 -1.55 117.98 126.24 3gvk s PHE 400 Ca 0.54 -0.56 -0.06 0.00 0.12 0.00 0.00 56.93 56.97 3gvk s PHE 400 Cb -0.23 -1.58 0.02 0.00 -0.57 0.00 0.00 43.02 40.66 3gvk s PHE 400 CO 0.27 -0.11 0.18 0.00 -0.10 0.00 0.00 175.22 175.46 3gvk s ALA 401 N -0.36 -0.44 -0.63 5.36 0.00 -0.14 -1.12 121.76 124.44 3gvk s ALA 401 Ca 0.02 0.52 -0.23 0.00 0.00 0.00 0.00 51.96 52.27 3gvk s ALA 401 Cb -0.12 -0.30 0.06 0.00 0.00 0.00 0.00 23.12 22.75 3gvk s ALA 401 CO 0.02 -0.09 0.95 1.41 0.00 0.00 0.00 175.76 178.05 3gvk s MET 402 N 0.16 3.17 -0.43 0.00 1.75 -0.56 -1.03 119.30 122.36 3gvk s MET 402 Ca -0.01 -0.66 -0.20 0.00 -1.25 0.00 0.00 55.69 53.58 3gvk s MET 402 Cb -0.02 -4.17 0.02 0.00 2.84 0.00 0.00 34.83 33.50 3gvk s MET 402 CO -0.00 -1.71 0.59 0.42 -0.65 0.00 0.00 175.02 173.66 3gvk s ILE 403 N 4.02 4.90 0.21 10.11 -1.09 0.52 -4.44 121.20 135.43 3gvk s ILE 403 Ca 0.24 0.03 -0.06 0.00 -2.23 0.00 0.00 60.65 58.63 3gvk s ILE 403 Cb -0.16 -4.15 -0.06 0.00 -1.58 0.00 0.00 42.46 36.52 3gvk s ILE 403 CO 0.13 -0.53 0.47 -1.61 -1.23 0.00 0.00 174.94 172.17 3gvk s GLU 404 N 2.63 3.68 -0.16 2.79 2.02 0.13 -1.41 118.70 128.38 3gvk s GLU 404 Ca 0.20 0.04 -0.02 0.00 0.02 0.00 0.00 54.97 55.20 3gvk s GLU 404 Cb -0.15 -2.74 -0.02 0.00 0.10 0.00 0.00 34.13 31.32 3gvk s GLU 404 CO 0.17 0.36 -0.07 0.99 0.02 0.00 0.00 175.26 176.73 3gvk s THR 405 N -1.81 3.51 0.08 3.63 2.01 0.17 -1.54 115.64 121.68 3gvk s THR 405 Ca 0.44 -0.49 0.03 0.00 0.31 0.00 0.00 61.69 61.98 3gvk s THR 405 Cb -0.11 -2.53 -0.03 0.00 0.01 0.00 0.00 72.50 69.84 3gvk s THR 405 CO 0.25 0.49 -0.10 -0.13 -0.69 0.00 0.00 174.62 174.44 3gvk s ARG 406 N 0.55 0.76 0.34 4.92 0.52 -0.42 -0.73 118.95 124.89 3gvk s ARG 406 Ca -0.05 -1.04 -0.27 0.00 -0.52 0.00 0.00 55.73 53.86 3gvk s ARG 406 Cb -0.15 -0.49 -0.09 0.00 0.52 0.00 0.00 34.95 34.74 3gvk s ARG 406 CO 0.03 0.08 1.06 0.95 0.02 0.00 0.00 175.30 177.44 3gvk s THR 407 N -2.08 3.66 0.24 0.02 -4.23 -0.44 -1.31 115.64 111.50 3gvk s THR 407 Ca 0.01 1.45 -0.02 0.00 -1.18 0.00 0.00 61.69 61.95 3gvk s THR 407 Cb -0.05 -3.84 0.06 0.00 1.34 0.00 0.00 72.50 70.01 3gvk s THR 407 CO 0.00 0.18 1.68 -0.07 -0.54 0.00 0.00 174.62 175.87 3gvk h LEU 408 N 3.13 0.67 -0.51 4.79 4.07 -1.66 -1.03 115.31 124.78 3gvk h LEU 408 Ca -0.47 -0.23 -0.04 0.00 0.08 0.00 0.00 57.88 57.21 3gvk h LEU 408 Cb 1.21 -0.18 -0.02 0.00 1.08 0.00 0.00 40.66 42.75 3gvk h LEU 408 CO 0.64 0.88 0.15 0.00 -1.08 0.00 0.00 178.44 179.03 3gvk h ALA 409 N 1.18 0.67 0.00 1.53 0.00 -1.89 -3.38 119.26 117.38 3gvk h ALA 409 Ca 0.09 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3gvk h ALA 409 Cb 0.68 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3gvk h ALA 409 CO 0.05 0.34 0.00 1.63 0.00 0.00 0.00 179.25 181.27 3gvk n LYS 410 N -4.47 0.90 -2.78 0.00 4.76 -1.25 -5.02 118.16 110.31 3gvk n LYS 410 Ca 0.02 -0.17 -0.20 0.00 -2.87 0.00 0.00 58.31 55.08 3gvk n LYS 410 Cb 0.21 -0.59 0.02 0.00 -1.84 0.00 0.00 35.03 32.83 3gvk n LYS 410 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 3gvk n ASN 411 N -0.18 -5.76 -4.75 4.39 5.15 -0.39 -4.99 115.26 108.73 3gvk n ASN 411 Ca 0.00 -0.19 -0.39 0.00 -0.60 0.00 0.00 54.58 53.39 3gvk n ASN 411 Cb 0.08 -4.65 -0.05 0.00 -0.53 0.00 0.00 39.78 34.63 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 -3.09 3.42 0.14 5.20 0.00 -1.26 -4.73 121.76 121.44 3gvk s ALA 412 Ca 0.20 0.19 -0.31 0.00 0.00 0.00 0.00 51.96 52.03 3gvk s ALA 412 Cb -0.09 -2.89 -0.08 0.00 0.00 0.00 0.00 23.12 20.06 3gvk s ALA 412 CO 0.24 0.12 1.38 -1.17 0.00 0.00 0.00 175.76 176.33 3gvk s LEU 413 N -0.17 4.38 -0.01 0.00 2.96 -1.26 -1.33 118.68 123.25 3gvk s LEU 413 Ca 0.35 2.36 0.01 0.00 -0.22 0.00 0.00 54.13 56.64 3gvk s LEU 413 Cb -0.20 -3.59 -0.01 0.00 0.50 0.00 0.00 46.19 42.88 3gvk s LEU 413 CO 0.21 -0.63 0.02 0.35 -1.32 0.00 0.00 176.35 174.97 3gvk n THR 414 N 3.61 0.03 -3.61 3.68 -2.24 0.10 -4.96 114.28 110.89 3gvk n THR 414 Ca 0.10 -0.03 -0.14 0.00 -2.27 0.00 0.00 64.05 61.71 3gvk n THR 414 Cb 0.42 -0.14 -0.07 0.00 -2.10 0.00 0.00 70.33 68.44 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 -2.55 -0.67 -0.09 3.42 2.47 -1.16 -4.28 114.94 112.08 3gvk s ASN 415 Ca -0.00 1.17 0.05 0.00 0.42 0.00 0.00 52.86 54.49 3gvk s ASN 415 Cb 0.01 1.14 -0.00 0.00 -1.45 0.00 0.00 41.25 40.94 3gvk s ASN 415 CO 0.04 -0.32 -0.24 0.00 -3.72 0.00 0.00 177.10 172.87 3gvk s ALA 417 N 0.16 0.56 -0.30 0.00 0.00 -0.50 -0.80 121.76 120.88 3gvk s ALA 417 Ca -0.13 -0.28 -0.23 0.00 0.00 0.00 0.00 51.96 51.32 3gvk s ALA 417 Cb -0.16 -0.15 -0.00 0.00 0.00 0.00 0.00 23.12 22.80 3gvk s ALA 417 CO 0.07 0.13 0.74 -1.17 0.00 0.00 0.00 175.76 175.54 3gvk s LEU 418 N -0.13 4.10 -0.13 0.00 2.96 -0.27 -0.35 118.68 124.86 3gvk s LEU 418 Ca 0.02 0.60 -0.03 0.00 -0.22 0.00 0.00 54.13 54.50 3gvk s LEU 418 Cb -0.03 -3.00 -0.03 0.00 0.50 0.00 0.00 46.19 43.63 3gvk s LEU 418 CO -0.00 -0.57 -0.00 0.26 -1.32 0.00 0.00 176.35 174.71 3gvk s TRP 419 N 2.85 3.13 0.04 5.38 0.52 -0.19 -0.53 118.94 130.14 3gvk s TRP 419 Ca 0.30 -0.00 -0.00 0.00 0.02 0.00 0.00 56.10 56.42 3gvk s TRP 419 Cb -0.14 -1.90 -0.03 0.00 -1.15 0.00 0.00 33.47 30.24 3gvk s TRP 419 CO 0.12 0.23 -0.04 0.16 0.02 0.00 0.00 176.95 177.45 3gvk s ASP 420 N -0.21 0.50 -0.18 2.95 1.47 -0.06 -0.97 116.67 120.16 3gvk s ASP 420 Ca 0.05 -0.78 -0.21 0.00 1.18 0.00 0.00 52.55 52.79 3gvk s ASP 420 Cb -0.12 0.14 0.06 0.00 -0.34 0.00 0.00 42.92 42.65 3gvk s ASP 420 CO 0.02 -0.44 0.57 -0.60 0.68 0.00 0.00 175.17 175.40 3gvk s ARG 421 N -2.83 0.72 0.32 2.11 3.52 -0.59 -0.22 118.95 121.98 3gvk s ARG 421 Ca -0.02 0.67 -0.29 0.00 -0.13 0.00 0.00 55.73 55.97 3gvk s ARG 421 Cb -0.00 0.35 -0.10 0.00 -1.56 0.00 0.00 34.95 33.63 3gvk s ARG 421 CO -0.05 -0.12 1.24 -1.25 -0.81 0.00 0.00 175.30 174.31 3gvk s PRO 422 N 0.03 4.41 0.43 5.12 0.04 -1.26 0.02 135.00 143.78 3gvk s PRO 422 Ca -0.02 2.07 -0.22 0.00 0.04 0.00 0.00 61.00 62.87 3gvk s PRO 422 Cb -0.04 -3.07 -0.10 0.00 0.04 0.00 0.00 34.50 31.33 3gvk s PRO 422 CO 0.02 -0.09 0.97 -1.64 0.04 0.00 0.00 177.00 176.30 3gvk s MET 423 N -1.74 4.19 0.12 4.56 -1.94 -0.49 -3.31 119.30 120.68 3gvk s MET 423 Ca 0.48 1.21 -0.31 0.00 -1.71 0.00 0.00 55.69 55.37 3gvk s MET 423 Cb -0.37 -2.26 -0.07 0.00 2.01 0.00 0.00 34.83 34.14 3gvk s MET 423 CO 0.48 -0.07 1.27 -1.12 -0.01 0.00 0.00 175.02 175.57 3gvk s SER 424 N -2.04 6.98 0.02 3.03 0.01 -1.26 -4.49 113.70 115.94 3gvk s SER 424 Ca 0.61 2.20 -0.05 0.00 1.31 0.00 0.00 55.95 60.02 3gvk s SER 424 Cb -0.12 -2.59 -0.01 0.00 0.21 0.00 0.00 66.02 63.51 3gvk s SER 424 CO 0.16 -0.52 0.08 -0.13 0.41 0.00 0.00 173.24 173.24 3gvk s ARG 425 N 0.72 0.47 -0.14 12.44 0.52 -1.22 -4.96 118.95 126.78 3gvk s ARG 425 Ca 0.59 -0.57 0.02 0.00 -0.52 0.00 0.00 55.73 55.26 3gvk s ARG 425 Cb -0.33 0.19 0.01 0.00 0.52 0.00 0.00 34.95 35.33 3gvk s ARG 425 CO 0.32 -0.11 -0.21 -1.54 0.02 0.00 0.00 175.30 173.78 3gvk s SER 426 N -1.64 3.18 -0.07 0.23 1.04 -1.26 -1.83 113.70 113.35 3gvk s SER 426 Ca -0.12 -0.58 0.04 0.00 0.48 0.00 0.00 55.95 55.77 3gvk s SER 426 Cb -0.06 -1.46 -0.02 0.00 0.10 0.00 0.00 66.02 64.58 3gvk s SER 426 CO -0.01 0.09 -0.19 -0.76 0.98 0.00 0.00 173.24 173.35 3gvk s LEU 427 N 0.77 2.44 -0.32 2.42 1.43 1.04 -4.88 118.68 121.58 3gvk s LEU 427 Ca -0.08 -0.36 0.01 0.00 -1.03 0.00 0.00 54.13 52.67 3gvk s LEU 427 Cb -0.16 -1.49 0.08 0.00 0.03 0.00 0.00 46.19 44.65 3gvk s LEU 427 CO -0.01 0.27 0.03 -1.00 0.23 0.00 0.00 176.35 175.87 3gvk s HIS 428 N -0.27 3.46 0.34 0.29 3.76 -1.26 -1.44 115.29 120.18 3gvk s HIS 428 Ca 0.01 -2.38 0.07 0.00 -0.15 0.00 0.00 55.06 52.61 3gvk s HIS 428 Cb -0.13 -2.50 -0.07 0.00 1.11 0.00 0.00 32.58 30.99 3gvk s HIS 428 CO 0.03 -0.89 -0.03 -0.51 -0.85 0.00 0.00 174.74 172.49 3gvk s LEU 429 N 1.11 2.62 -0.13 0.89 1.43 -0.39 -4.97 118.68 119.23 3gvk s LEU 429 Ca 0.01 -1.28 -0.01 0.00 -1.03 0.00 0.00 54.13 51.82 3gvk s LEU 429 Cb -0.20 -0.77 0.04 0.00 0.03 0.00 0.00 46.19 45.28 3gvk s LEU 429 CO -0.04 -0.38 -0.03 -0.89 0.23 0.00 0.00 176.35 175.23 3gvk s THR 430 N -2.86 0.83 0.07 5.49 2.01 -1.26 -1.07 115.64 118.85 3gvk s THR 430 Ca 0.33 -0.33 0.00 0.00 0.31 0.00 0.00 61.69 62.00 3gvk s THR 430 Cb 0.06 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.58 3gvk s THR 430 CO 0.16 0.19 0.00 0.61 -0.69 0.00 0.00 174.62 174.89 3gvk n GLY 431 N 4.98 -1.88 0.00 4.40 0.00 -0.67 -4.69 105.19 107.33 3gvk n GLY 431 Ca -0.10 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.60 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 -1.21 0.64 3.33 -0.02 0.00 -1.26 -4.92 105.19 101.74 3gvk n GLY 432 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.00 2.72 0.05 -0.61 1.01 -1.26 -0.47 121.20 120.63 3gvk s ILE 433 Ca 0.00 -0.79 0.04 0.00 0.00 0.00 0.00 60.65 59.90 3gvk s ILE 433 Cb 0.00 -2.10 -0.02 0.00 0.01 0.00 0.00 42.46 40.35 3gvk s ILE 433 CO 0.00 0.54 -0.12 0.42 0.00 0.00 0.00 174.94 175.79 3gvk s THR 434 N 0.20 0.89 -0.12 2.92 -4.23 -0.81 -2.18 115.64 112.30 3gvk s THR 434 Ca -0.10 -1.10 -0.04 0.00 -1.18 0.00 0.00 61.69 59.27 3gvk s THR 434 Cb -0.16 -0.87 0.06 0.00 1.34 0.00 0.00 72.50 72.88 3gvk s THR 434 CO 0.06 -0.21 0.18 -0.75 -0.54 0.00 0.00 174.62 173.36 3gvk s LYS 435 N -1.47 0.08 0.31 3.99 2.20 -0.19 -0.68 119.74 123.99 3gvk s LYS 435 Ca -0.04 0.47 -0.28 0.00 -0.36 0.00 0.00 55.97 55.77 3gvk s LYS 435 Cb -0.09 -0.53 -0.09 0.00 -1.51 0.00 0.00 37.83 35.60 3gvk s LYS 435 CO 0.01 -0.40 1.09 0.00 -0.36 0.00 0.00 175.35 175.70 3gvk s ALA 436 N 2.31 3.34 0.66 3.13 0.00 -1.26 -0.60 121.76 129.33 3gvk s ALA 436 Ca 0.04 0.87 -0.17 0.00 0.00 0.00 0.00 51.96 52.69 3gvk s ALA 436 Cb -0.13 -3.32 -0.02 0.00 0.00 0.00 0.00 23.12 19.65 3gvk s ALA 436 CO -0.08 -0.19 0.98 0.00 0.00 0.00 0.00 175.76 176.47 3gvk n ALA 437 N 0.90 0.05 -1.50 0.00 0.00 -1.26 -3.44 120.51 115.26 3gvk n ALA 437 Ca 0.00 -0.08 -0.17 0.00 0.00 0.00 0.00 53.44 53.19 3gvk n ALA 437 Cb 0.46 -2.12 -0.07 0.00 0.00 0.00 0.00 19.45 17.71 3gvk n ALA 437 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3gvk n ASN 438 N -1.21 -5.37 -4.01 0.00 3.02 0.23 -4.94 115.26 102.97 3gvk n ASN 438 Ca 0.14 0.43 -0.09 0.00 -0.03 0.00 0.00 54.58 55.02 3gvk n ASN 438 Cb 0.48 -4.40 -0.08 0.00 -0.61 0.00 0.00 39.78 35.17 3gvk n ASN 438 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 3gvk s GLN 439 N -3.45 1.06 0.00 3.52 2.00 -1.22 -4.99 119.66 116.58 3gvk s GLN 439 Ca 0.00 -1.24 0.17 0.00 -2.00 0.00 0.00 55.36 52.29 3gvk s GLN 439 Cb 0.00 0.33 -0.17 0.00 0.80 0.00 0.00 33.01 33.97 3gvk s GLN 439 CO 0.00 -0.36 0.76 0.54 -0.50 0.00 0.00 175.29 175.73 3gvk n ARG 440 N -0.16 1.26 -3.06 1.67 1.74 -1.26 -4.50 116.66 112.34 3gvk n ARG 440 Ca -0.07 -0.09 -0.33 0.00 -0.77 0.00 0.00 57.85 56.58 3gvk n ARG 440 Cb 0.63 -1.33 -0.06 0.00 -1.02 0.00 0.00 32.46 30.68 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 -2.59 3.42 0.02 -1.55 2.02 -1.26 -1.35 117.35 116.05 3gvk s TYR 441 Ca 0.08 1.34 0.06 0.00 -0.37 0.00 0.00 57.07 58.18 3gvk s TYR 441 Cb 0.13 -2.62 -0.02 0.00 -0.40 0.00 0.00 41.96 39.05 3gvk s TYR 441 CO 0.69 0.10 -0.18 0.00 -1.57 0.00 0.00 175.55 174.58 3gvk s ALA 442 N -1.93 1.54 -0.20 3.71 0.00 -0.72 -4.27 121.76 119.89 3gvk s ALA 442 Ca 0.54 -0.89 -0.08 0.00 0.00 0.00 0.00 51.96 51.52 3gvk s ALA 442 Cb -0.11 -0.33 -0.04 0.00 0.00 0.00 0.00 23.12 22.63 3gvk s ALA 442 CO 0.17 0.35 0.09 0.99 0.00 0.00 0.00 175.76 177.37 3gvk s THR 443 N -0.63 4.95 -0.22 0.00 2.01 0.14 -1.73 115.64 120.15 3gvk s THR 443 Ca 0.06 0.03 -0.05 0.00 0.31 0.00 0.00 61.69 62.04 3gvk s THR 443 Cb -0.08 -3.25 -0.01 0.00 0.01 0.00 0.00 72.50 69.16 3gvk s THR 443 CO 0.01 0.43 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.72 3gvk s ILE 444 N 0.58 3.61 -0.51 1.82 -1.09 0.11 -1.92 121.20 123.81 3gvk s ILE 444 Ca 0.05 -0.41 -0.16 0.00 -2.23 0.00 0.00 60.65 57.89 3gvk s ILE 444 Cb -0.13 -2.65 0.09 0.00 -1.58 0.00 0.00 42.46 38.20 3gvk s ILE 444 CO 0.01 0.41 0.47 -2.28 -1.23 0.00 0.00 174.94 172.31 3gvk s HIS 445 N 1.44 3.22 -0.25 3.97 2.46 0.38 -1.98 115.29 124.53 3gvk s HIS 445 Ca 0.05 -1.03 -0.03 0.00 0.47 0.00 0.00 55.06 54.53 3gvk s HIS 445 Cb -0.14 -3.46 0.08 0.00 -0.13 0.00 0.00 32.58 28.92 3gvk s HIS 445 CO -0.01 -0.92 0.08 0.08 -2.47 0.00 0.00 174.74 171.50 3gvk s VAL 446 N 1.76 0.48 0.29 0.89 1.01 -0.47 -4.83 120.40 119.54 3gvk s VAL 446 Ca 0.05 -0.85 -0.30 0.00 0.00 0.00 0.00 61.98 60.88 3gvk s VAL 446 Cb -0.26 -1.20 -0.12 0.00 0.00 0.00 0.00 36.38 34.80 3gvk s VAL 446 CO 0.06 -0.47 1.44 -2.65 0.00 0.00 0.00 175.10 173.48 3gvk n PRO 447 N 5.04 2.31 -3.87 2.72 -0.02 -1.25 -2.74 135.00 137.19 3gvk n PRO 447 Ca -0.06 0.82 -0.27 0.00 -2.02 0.00 0.00 63.50 61.97 3gvk n PRO 447 Cb 0.45 -2.50 0.02 0.00 -0.02 0.00 0.00 33.50 31.44 3gvk n PRO 447 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3gvk n ASP 448 N 1.69 -3.16 -0.06 2.55 8.00 -0.91 -4.88 116.55 119.77 3gvk n ASP 448 Ca 0.08 -0.83 0.02 0.00 0.71 0.00 0.00 54.79 54.78 3gvk n ASP 448 Cb 0.35 -3.80 0.35 0.00 -0.02 0.00 0.00 41.12 38.00 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 -1.97 0.64 -0.38 1.24 2.07 -1.31 -3.45 115.15 112.00 3gvk h HIS 449 Ca -0.60 -0.00 -0.16 0.00 -2.85 0.00 0.00 60.37 56.76 3gvk h HIS 449 Cb 1.37 -0.21 -0.07 0.00 2.57 0.00 0.00 27.41 31.08 3gvk h HIS 449 CO 0.53 0.44 -0.15 0.41 -3.07 0.00 0.00 177.93 176.10 3gvk n GLY 450 N -1.33 0.99 3.92 6.13 0.00 -1.26 -4.87 105.19 108.76 3gvk n GLY 450 Ca 0.04 -0.55 -0.29 0.00 0.00 0.00 0.00 46.02 45.22 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 -1.83 4.28 0.33 0.99 1.43 -1.26 -4.79 118.68 117.83 3gvk s LEU 451 Ca 0.00 0.41 0.09 0.00 -1.03 0.00 0.00 54.13 53.60 3gvk s LEU 451 Cb 0.00 -3.15 -0.05 0.00 0.03 0.00 0.00 46.19 43.02 3gvk s LEU 451 CO 0.00 0.04 0.02 -0.36 0.23 0.00 0.00 176.35 176.28 3gvk s PHE 452 N -1.71 2.57 0.14 0.29 0.08 -1.26 -4.99 117.98 113.11 3gvk s PHE 452 Ca 0.38 -0.40 -0.34 0.00 0.12 0.00 0.00 56.93 56.69 3gvk s PHE 452 Cb -0.12 -1.45 -0.16 0.00 -0.57 0.00 0.00 43.02 40.72 3gvk s PHE 452 CO 0.27 0.49 1.30 0.28 -0.10 0.00 0.00 175.22 177.46 3gvk n VAL 453 N -0.96 0.44 0.00 -0.44 0.31 -1.26 -1.73 118.33 114.69 3gvk n VAL 453 Ca -0.04 -0.11 0.00 0.00 -0.01 0.00 0.00 64.34 64.18 3gvk n VAL 453 Cb 0.62 -0.95 0.00 0.00 -0.91 0.00 0.00 33.84 32.59 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 2.37 1.82 3.77 2.92 0.00 0.26 -4.94 105.19 111.39 3gvk n GLY 454 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.96 5.80 0.18 1.61 1.01 -0.71 -4.63 116.67 117.98 3gvk s ASP 455 Ca 0.00 2.29 -0.30 0.00 0.71 0.00 0.00 52.55 55.25 3gvk s ASP 455 Cb 0.00 -2.60 -0.08 0.00 1.01 0.00 0.00 42.92 41.25 3gvk s ASP 455 CO 0.00 -1.17 1.30 0.12 0.21 0.00 0.00 175.17 175.63 3gvk s PHE 456 N -1.63 3.28 -0.04 4.23 5.36 -1.26 -1.24 117.98 126.68 3gvk s PHE 456 Ca 0.70 1.22 -0.01 0.00 -0.96 0.00 0.00 56.93 57.87 3gvk s PHE 456 Cb -0.28 -3.59 0.03 0.00 -0.34 0.00 0.00 43.02 38.85 3gvk s PHE 456 CO 0.32 -1.85 0.07 0.14 -1.46 0.00 0.00 175.22 172.45 3gvk s VAL 457 N 0.22 -0.09 -0.08 3.12 -7.23 -0.56 -4.05 120.40 111.73 3gvk s VAL 457 Ca 0.57 0.28 -0.02 0.00 -1.81 0.00 0.00 61.98 61.01 3gvk s VAL 457 Cb -0.36 -0.15 -0.03 0.00 0.56 0.00 0.00 36.38 36.39 3gvk s VAL 457 CO 0.37 0.12 0.00 0.21 -0.31 0.00 0.00 175.10 175.49 3gvk s ASN 458 N 1.53 5.24 0.01 4.85 2.47 0.27 -0.51 114.94 128.80 3gvk s ASN 458 Ca -0.04 0.14 0.06 0.00 0.42 0.00 0.00 52.86 53.44 3gvk s ASN 458 Cb -0.12 -1.47 -0.02 0.00 -1.45 0.00 0.00 41.25 38.19 3gvk s ASN 458 CO -0.04 0.37 -0.19 -0.36 -3.72 0.00 0.00 177.10 173.16 3gvk s PHE 459 N -0.91 1.72 -0.06 0.43 0.08 -0.57 -3.84 117.98 114.82 3gvk s PHE 459 Ca 0.14 -0.34 -0.04 0.00 0.12 0.00 0.00 56.93 56.80 3gvk s PHE 459 Cb -0.11 -1.07 0.03 0.00 -0.57 0.00 0.00 43.02 41.30 3gvk s PHE 459 CO 0.03 0.02 0.16 0.45 -0.10 0.00 0.00 175.22 175.78 3gvk s SER 460 N -0.78 -0.14 -1.65 1.36 0.15 -0.66 -0.88 113.70 111.10 3gvk s SER 460 Ca 0.07 0.32 -0.03 0.00 0.70 0.00 0.00 55.95 57.01 3gvk s SER 460 Cb -0.08 0.26 0.00 0.00 -1.71 0.00 0.00 66.02 64.49 3gvk s SER 460 CO 0.00 -0.11 0.39 0.59 1.20 0.00 0.00 173.24 175.31 3gvk n ASN 461 N 3.67 -6.08 0.23 5.45 3.02 -1.26 -1.28 115.26 119.01 3gvk n ASN 461 Ca -0.20 -0.19 0.08 0.00 -0.03 0.00 0.00 54.58 54.24 3gvk n ASN 461 Cb 0.55 -4.96 0.56 0.00 -0.61 0.00 0.00 39.78 35.32 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 -0.88 0.00 -0.88 6.41 4.64 -1.86 -3.39 113.55 117.59 3gvk h SER 462 Ca -0.52 0.00 -0.38 0.00 -0.47 0.00 0.00 61.79 60.42 3gvk h SER 462 Cb 1.37 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.31 3gvk h SER 462 CO 0.58 0.20 -0.35 0.00 -0.87 0.00 0.00 176.83 176.40 3gvk n ALA 463 N -2.38 -0.28 -3.89 5.18 0.00 -1.26 -4.75 120.51 113.12 3gvk n ALA 463 Ca -0.02 0.30 -0.30 0.00 0.00 0.00 0.00 53.44 53.42 3gvk n ALA 463 Cb 0.29 -1.95 -0.15 0.00 0.00 0.00 0.00 19.45 17.64 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 -2.63 1.42 0.08 0.00 1.01 -1.26 -4.74 120.40 114.28 3gvk s VAL 464 Ca 0.00 -1.37 -0.36 0.00 0.00 0.00 0.00 61.98 60.25 3gvk s VAL 464 Cb 0.00 -1.84 -0.15 0.00 0.00 0.00 0.00 36.38 34.39 3gvk s VAL 464 CO 0.00 -0.31 1.47 0.41 0.00 0.00 0.00 175.10 176.67 3gvk n THR 465 N 4.68 0.04 0.00 3.92 -1.04 -1.26 -1.44 114.28 119.18 3gvk n THR 465 Ca -0.07 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 61.93 3gvk n THR 465 Cb 0.44 -1.13 0.00 0.00 -1.82 0.00 0.00 70.33 67.82 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 3.00 2.81 3.44 3.41 0.00 -1.26 -4.92 105.19 111.68 3gvk n GLY 466 Ca 0.19 0.00 -0.44 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 -2.26 4.75 -0.27 1.61 1.01 -0.52 -4.51 120.40 120.20 3gvk s VAL 467 Ca 0.00 -1.53 -0.22 0.00 0.00 0.00 0.00 61.98 60.23 3gvk s VAL 467 Cb 0.00 -4.75 0.07 0.00 0.00 0.00 0.00 36.38 31.70 3gvk s VAL 467 CO 0.00 -1.47 0.71 -0.55 0.00 0.00 0.00 175.10 173.79 3gvk s SER 468 N 3.57 -0.82 0.63 3.32 0.15 -1.26 -4.49 113.70 114.80 3gvk s SER 468 Ca 0.31 1.47 0.00 0.00 0.70 0.00 0.00 55.95 58.43 3gvk s SER 468 Cb -0.06 1.44 0.00 0.00 -1.71 0.00 0.00 66.02 65.69 3gvk s SER 468 CO -0.08 -0.25 0.00 0.61 1.20 0.00 0.00 173.24 174.72 3gvk n GLY 469 N 3.26 0.24 3.66 9.45 0.00 -0.05 -4.69 105.19 117.05 3gvk n GLY 469 Ca -0.16 -0.91 -0.43 0.00 0.00 0.00 0.00 46.02 44.52 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 6.81 0.37 1.61 1.01 -1.26 -1.52 116.67 119.69 3gvk s ASP 470 Ca 0.00 1.93 0.06 0.00 0.71 0.00 0.00 52.55 55.26 3gvk s ASP 470 Cb 0.00 -2.54 -0.02 0.00 1.01 0.00 0.00 42.92 41.37 3gvk s ASP 470 CO 0.00 -0.84 0.23 0.23 0.21 0.00 0.00 175.17 175.00 3gvk n MET 471 N 6.86 0.48 -4.20 8.23 2.81 0.33 -5.00 117.12 126.62 3gvk n MET 471 Ca 0.15 -3.42 -0.14 0.00 -1.81 0.00 0.00 57.70 52.48 3gvk n MET 471 Cb 0.44 2.41 -0.10 0.00 -0.71 0.00 0.00 33.22 35.26 3gvk n MET 471 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 3gvk s THR 472 N -3.26 0.99 -0.09 2.03 -4.23 -1.26 -1.50 115.64 108.32 3gvk s THR 472 Ca 0.32 -1.84 -0.30 0.00 -1.18 0.00 0.00 61.69 58.70 3gvk s THR 472 Cb 0.02 -1.59 -0.04 0.00 1.34 0.00 0.00 72.50 72.23 3gvk s THR 472 CO 0.23 -0.67 1.46 -0.69 -0.54 0.00 0.00 174.62 174.40 3gvk s VAL 473 N -2.94 3.88 -0.14 2.29 1.01 -0.37 -4.55 120.40 119.59 3gvk s VAL 473 Ca 0.11 1.10 -0.16 0.00 0.00 0.00 0.00 61.98 63.03 3gvk s VAL 473 Cb 0.00 -3.71 -0.13 0.00 0.00 0.00 0.00 36.38 32.54 3gvk s VAL 473 CO -0.00 -0.08 0.30 0.00 0.00 0.00 0.00 175.10 175.31 3gvk h ALA 474 N 8.72 0.04 -2.54 5.51 0.00 -1.33 0.75 119.26 130.42 3gvk h ALA 474 Ca -0.34 -0.44 -0.23 0.00 0.00 0.00 0.00 54.91 53.90 3gvk h ALA 474 Cb 1.15 0.18 -0.17 0.00 0.00 0.00 0.00 17.79 18.95 3gvk h ALA 474 CO 0.95 0.18 -0.71 0.95 0.00 0.00 0.00 179.25 180.62 3gvk s THR 475 N -2.02 0.58 -0.25 0.00 -4.23 -1.21 -4.79 115.64 103.72 3gvk s THR 475 Ca -0.14 -1.63 -0.04 0.00 -1.18 0.00 0.00 61.69 58.70 3gvk s THR 475 Cb 0.00 -1.30 0.00 0.00 1.34 0.00 0.00 72.50 72.55 3gvk s THR 475 CO 0.38 -0.72 -0.00 -0.69 -0.54 0.00 0.00 174.62 173.04 3gvk s VAL 476 N -2.90 3.50 -0.09 2.29 1.01 -1.26 -0.86 120.40 122.08 3gvk s VAL 476 Ca 0.04 -0.64 -0.27 0.00 0.00 0.00 0.00 61.98 61.11 3gvk s VAL 476 Cb 0.00 -2.70 -0.23 0.00 0.00 0.00 0.00 36.38 33.46 3gvk s VAL 476 CO -0.04 0.27 0.94 0.40 0.00 0.00 0.00 175.10 176.67 3gvk h ILE 477 N 5.83 1.58 -2.00 2.22 2.04 -1.46 -3.49 117.51 122.24 3gvk h ILE 477 Ca -0.37 -1.85 0.00 0.00 1.00 0.00 0.00 64.86 63.65 3gvk h ILE 477 Cb 1.14 2.82 0.00 0.00 -0.74 0.00 0.00 36.82 40.04 3gvk h ILE 477 CO 0.60 0.47 0.00 -0.90 0.00 0.00 0.00 178.15 178.32 3gvk n ASP 478 N -4.71 0.00 0.28 1.72 5.68 -0.97 -4.98 116.55 113.57 3gvk n ASP 478 Ca -0.09 -1.00 0.19 0.00 -0.50 0.00 0.00 54.79 53.39 3gvk n ASP 478 Cb 0.38 0.00 0.99 0.00 -1.14 0.00 0.00 41.12 41.35 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 -0.01 0.11 2.10 -1.96 -2.69 116.57 114.13 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 -0.12 -0.25 -2.00 0.00 0.00 179.45 177.08 3gvk n ASP 480 N -2.86 1.10 -3.81 7.07 8.00 -1.26 -2.14 116.55 122.64 3gvk n ASP 480 Ca -0.02 -1.05 -0.13 0.00 0.71 0.00 0.00 54.79 54.30 3gvk n ASP 480 Cb 0.10 0.39 -0.15 0.00 -0.02 0.00 0.00 41.12 41.44 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 -1.00 0.00 0.14 -2.24 0.01 -1.01 -1.36 114.94 109.47 3gvk s ASN 481 Ca 0.06 0.07 -0.05 0.00 -0.71 0.00 0.00 52.86 52.24 3gvk s ASN 481 Cb 0.06 0.02 -0.03 0.00 0.41 0.00 0.00 41.25 41.71 3gvk s ASN 481 CO 0.16 -0.07 0.15 0.72 -1.51 0.00 0.00 177.10 176.55 3gvk s PHE 482 N 0.57 0.62 0.27 2.20 -0.12 -0.84 -1.09 117.98 119.59 3gvk s PHE 482 Ca -0.05 -1.00 0.11 0.00 -0.05 0.00 0.00 56.93 55.94 3gvk s PHE 482 Cb -0.07 -0.29 -0.05 0.00 -0.63 0.00 0.00 43.02 41.99 3gvk s PHE 482 CO -0.02 -0.59 -0.14 0.95 -0.05 0.00 0.00 175.22 175.37 3gvk s THR 483 N -4.00 2.78 0.05 -4.49 -4.23 -0.04 0.09 115.64 105.79 3gvk s THR 483 Ca 0.19 -2.21 0.06 0.00 -1.18 0.00 0.00 61.69 58.55 3gvk s THR 483 Cb 0.06 -2.45 -0.02 0.00 1.34 0.00 0.00 72.50 71.42 3gvk s THR 483 CO -0.00 -0.36 -0.16 0.68 -0.54 0.00 0.00 174.62 174.24 3gvk s VAL 484 N -2.37 1.25 -0.30 2.29 -7.23 -0.71 -0.81 120.40 112.53 3gvk s VAL 484 Ca 0.30 -1.14 -0.21 0.00 -1.81 0.00 0.00 61.98 59.12 3gvk s VAL 484 Cb -0.06 -1.14 -0.01 0.00 0.56 0.00 0.00 36.38 35.74 3gvk s VAL 484 CO 0.16 -0.02 0.64 -0.22 -0.31 0.00 0.00 175.10 175.36 3gvk s LEU 485 N -1.33 4.13 0.44 1.32 2.96 -1.26 -1.75 118.68 123.18 3gvk s LEU 485 Ca 0.02 0.47 -0.04 0.00 -0.22 0.00 0.00 54.13 54.37 3gvk s LEU 485 Cb -0.09 -2.84 -0.04 0.00 0.50 0.00 0.00 46.19 43.73 3gvk s LEU 485 CO 0.02 -0.48 0.72 0.42 -1.32 0.00 0.00 176.35 175.71 3gvk s THR 486 N 2.63 4.96 -2.06 3.68 -4.23 -0.46 -4.98 115.64 115.18 3gvk s THR 486 Ca 0.26 0.03 0.26 0.00 -1.18 0.00 0.00 61.69 61.06 3gvk s THR 486 Cb -0.15 -3.86 0.72 0.00 1.34 0.00 0.00 72.50 70.55 3gvk s THR 486 CO 0.11 -0.76 1.97 -0.81 -0.54 0.00 0.00 174.62 174.59 3gvk n PRO 487 N -2.09 1.11 -4.15 3.99 -0.04 -1.26 -4.83 135.00 127.72 3gvk n PRO 487 Ca -0.01 -0.16 -0.14 0.00 -0.04 0.00 0.00 63.50 63.15 3gvk n PRO 487 Cb 0.55 -1.42 -0.07 0.00 -0.04 0.00 0.00 33.50 32.53 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 -1.83 0.72 0.00 3.54 2.20 -1.26 -5.14 114.94 113.17 3gvk s ASN 488 Ca 0.39 -1.43 -0.11 0.00 -0.94 0.00 0.00 52.86 50.77 3gvk s ASN 488 Cb 0.18 0.55 0.01 0.00 -2.00 0.00 0.00 41.25 40.00 3gvk s ASN 488 CO 0.31 -1.09 0.22 0.00 -2.94 0.00 0.00 177.10 173.59 3gvk s GLN 489 N -3.60 0.60 0.38 3.55 -2.07 -1.26 -4.39 119.66 112.86 3gvk s GLN 489 Ca 0.34 -0.36 0.08 0.00 -1.82 0.00 0.00 55.36 53.60 3gvk s GLN 489 Cb 0.02 0.26 -0.06 0.00 -1.09 0.00 0.00 33.01 32.14 3gvk s GLN 489 CO 0.18 -0.16 0.03 -0.65 -1.32 0.00 0.00 175.29 173.37 3gvk s GLN 490 N -1.59 2.04 0.11 9.60 1.11 -1.26 -4.91 119.66 124.76 3gvk s GLN 490 Ca -0.12 -1.89 0.24 0.00 0.01 0.00 0.00 55.36 53.59 3gvk s GLN 490 Cb -0.05 -1.83 0.24 0.00 -1.01 0.00 0.00 33.01 30.36 3gvk s GLN 490 CO 0.02 0.03 1.23 0.00 0.01 0.00 0.00 175.29 176.57 3gvk h THR 491 N 1.74 0.00 -3.24 -0.19 1.03 -1.96 0.65 112.91 110.94 3gvk h THR 491 Ca -0.43 -0.54 -0.48 0.00 -0.01 0.00 0.00 66.41 64.96 3gvk h THR 491 Cb 1.25 1.05 -0.17 0.00 -1.07 0.00 0.00 68.15 69.21 3gvk h THR 491 CO 0.72 0.00 -0.76 -0.94 -0.01 0.00 0.00 175.52 174.52 3gvk s SER 492 N -4.28 2.50 0.35 0.00 1.04 -1.26 -4.68 113.70 107.37 3gvk s SER 492 Ca 0.05 -0.90 -0.28 0.00 0.48 0.00 0.00 55.95 55.30 3gvk s SER 492 Cb 0.13 -0.13 -0.11 0.00 0.10 0.00 0.00 66.02 66.01 3gvk s SER 492 CO 0.75 -0.10 1.42 -1.81 0.98 0.00 0.00 173.24 174.48 3gvk s ASP 493 N -2.81 6.51 -0.01 7.02 1.01 -1.26 -4.26 116.67 122.87 3gvk s ASP 493 Ca 0.16 2.91 0.05 0.00 0.71 0.00 0.00 52.55 56.38 3gvk s ASP 493 Cb -0.04 -2.66 -0.03 0.00 1.01 0.00 0.00 42.92 41.20 3gvk s ASP 493 CO 0.06 -0.75 -0.15 -0.76 0.21 0.00 0.00 175.17 173.79 3gvk s LEU 494 N -1.89 2.75 -0.26 1.23 1.43 0.23 -4.95 118.68 117.22 3gvk s LEU 494 Ca 0.52 -0.26 -0.04 0.00 -1.03 0.00 0.00 54.13 53.32 3gvk s LEU 494 Cb -0.44 -1.58 0.14 0.00 0.03 0.00 0.00 46.19 44.34 3gvk s LEU 494 CO 0.58 0.31 0.50 0.21 0.23 0.00 0.00 176.35 178.18 3gvk s ASN 495 N -1.04 -0.59 -0.05 2.29 2.47 -1.26 -1.02 114.94 115.74 3gvk s ASN 495 Ca 0.13 0.79 0.02 0.00 0.42 0.00 0.00 52.86 54.22 3gvk s ASN 495 Cb -0.11 1.68 0.13 0.00 -1.45 0.00 0.00 41.25 41.50 3gvk s ASN 495 CO 0.03 -0.26 0.86 -0.46 -3.72 0.00 0.00 177.10 173.55 3gvk n ASN 496 N 5.40 2.25 -4.56 -4.21 6.94 -0.93 -4.94 115.26 115.22 3gvk n ASN 496 Ca -0.05 -2.20 -0.51 0.00 -0.02 0.00 0.00 54.58 51.80 3gvk n ASN 496 Cb 0.50 -0.54 -0.05 0.00 -2.36 0.00 0.00 39.78 37.33 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 0.15 -1.27 -0.74 -2.53 0.00 -1.26 -1.02 120.51 113.83 3gvk n ALA 497 Ca 0.07 0.49 0.00 0.00 0.00 0.00 0.00 53.44 54.00 3gvk n ALA 497 Cb 0.51 -1.99 0.00 0.00 0.00 0.00 0.00 19.45 17.97 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 2.11 1.42 3.69 0.00 0.00 -1.26 -4.85 105.19 106.30 3gvk n GLY 498 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.04 3.32 0.01 1.61 1.02 -0.19 -4.85 119.74 120.63 3gvk s LYS 499 Ca 0.00 -0.36 -0.28 0.00 0.02 0.00 0.00 55.97 55.35 3gvk s LYS 499 Cb 0.00 -2.95 -0.04 0.00 -0.52 0.00 0.00 37.83 34.32 3gvk s LYS 499 CO 0.00 0.59 0.91 -0.80 -0.92 0.00 0.00 175.35 175.13 3gvk s ASN 500 N -0.54 7.31 0.34 2.83 0.01 -1.26 -1.67 114.94 121.97 3gvk s ASN 500 Ca 0.10 1.58 -0.05 0.00 -0.71 0.00 0.00 52.86 53.78 3gvk s ASN 500 Cb -0.12 -2.54 0.01 0.00 0.41 0.00 0.00 41.25 39.01 3gvk s ASN 500 CO 0.02 -0.18 0.51 -1.66 -1.51 0.00 0.00 177.10 174.28 3gvk s TRP 501 N 0.73 0.92 -0.01 2.20 1.48 -0.23 -4.76 118.94 119.28 3gvk s TRP 501 Ca 0.48 -1.21 0.01 0.00 -1.06 0.00 0.00 56.10 54.32 3gvk s TRP 501 Cb -0.21 0.04 0.00 0.00 -1.16 0.00 0.00 33.47 32.15 3gvk s TRP 501 CO 0.26 -1.18 -0.04 -1.01 -4.06 0.00 0.00 176.95 170.91 3gvk s HIS 502 N -3.00 0.43 0.11 1.66 3.76 -0.40 -1.26 115.29 116.59 3gvk s HIS 502 Ca 0.28 -0.08 0.04 0.00 -0.15 0.00 0.00 55.06 55.16 3gvk s HIS 502 Cb -0.01 -0.32 -0.04 0.00 1.11 0.00 0.00 32.58 33.33 3gvk s HIS 502 CO 0.19 -0.03 -0.11 1.41 -0.85 0.00 0.00 174.74 175.34 3gvk s MET 503 N 0.09 0.92 0.00 1.40 1.75 -0.52 -1.66 119.30 121.29 3gvk s MET 503 Ca -0.01 -1.22 0.00 0.00 -1.25 0.00 0.00 55.69 53.22 3gvk s MET 503 Cb -0.04 -0.64 0.00 0.00 2.84 0.00 0.00 34.83 36.99 3gvk s MET 503 CO -0.00 0.11 0.00 0.41 -0.65 0.00 0.00 175.02 174.88 3gvk n GLY 504 N 0.45 -0.44 3.94 2.11 0.00 -1.14 0.34 105.19 110.46 3gvk n GLY 504 Ca -0.15 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.66 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 5.12 -0.15 2.61 -4.23 -0.76 0.97 115.64 119.21 3gvk s THR 505 Ca 0.00 -1.05 -0.05 0.00 -1.18 0.00 0.00 61.69 59.41 3gvk s THR 505 Cb 0.00 -3.77 0.07 0.00 1.34 0.00 0.00 72.50 70.14 3gvk s THR 505 CO 0.00 -0.32 0.29 -0.55 -0.54 0.00 0.00 174.62 173.49 3gvk s SER 506 N -3.93 0.30 0.09 3.99 0.15 -1.26 -3.39 113.70 109.65 3gvk s SER 506 Ca 0.34 0.61 -0.23 0.00 0.70 0.00 0.00 55.95 57.37 3gvk s SER 506 Cb -0.09 0.80 -0.14 0.00 -1.71 0.00 0.00 66.02 64.88 3gvk s SER 506 CO 0.28 -0.24 1.73 0.15 1.20 0.00 0.00 173.24 176.36 3gvk h PHE 507 N 8.27 0.02 -0.25 3.44 3.57 -1.78 -2.92 116.94 127.29 3gvk h PHE 507 Ca -0.15 0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.24 3gvk h PHE 507 Cb 1.12 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.84 3gvk h PHE 507 CO 0.34 0.03 -0.31 0.45 -2.23 0.00 0.00 178.31 176.59 3gvk h HIS 508 N 0.01 0.61 -0.07 0.41 3.86 -1.95 -2.99 115.15 115.02 3gvk h HIS 508 Ca 0.01 -0.15 0.00 0.00 -1.16 0.00 0.00 60.37 59.07 3gvk h HIS 508 Cb 0.01 -0.14 0.00 0.00 1.06 0.00 0.00 27.41 28.34 3gvk h HIS 508 CO -0.07 0.78 0.00 1.63 0.86 0.00 0.00 177.93 181.13 3gvk n LYS 509 N -4.08 1.70 -4.56 2.45 4.76 -1.24 -4.85 118.16 112.34 3gvk n LYS 509 Ca -0.01 -1.03 -0.33 0.00 -2.87 0.00 0.00 58.31 54.07 3gvk n LYS 509 Cb 0.45 -1.45 -0.11 0.00 -1.84 0.00 0.00 35.03 32.08 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 -1.84 4.62 0.64 4.39 0.01 -1.10 -4.44 113.70 115.99 3gvk s SER 510 Ca 0.36 -0.08 -0.13 0.00 1.31 0.00 0.00 55.95 57.41 3gvk s SER 510 Cb 0.20 -1.12 -0.01 0.00 0.21 0.00 0.00 66.02 65.29 3gvk s SER 510 CO 0.31 0.33 1.05 -2.16 0.41 0.00 0.00 173.24 173.18 3gvk s PRO 511 N -1.07 3.15 0.32 12.44 0.04 -1.26 -4.91 135.00 143.71 3gvk s PRO 511 Ca 0.14 1.05 -0.29 0.00 0.04 0.00 0.00 61.00 61.94 3gvk s PRO 511 Cb -0.11 -2.02 -0.10 0.00 0.04 0.00 0.00 34.50 32.31 3gvk s PRO 511 CO 0.04 -0.93 1.36 -1.58 0.04 0.00 0.00 177.00 175.93 3gvk s TRP 512 N -2.80 2.98 -0.18 0.56 0.52 -1.26 -4.76 118.94 114.00 3gvk s TRP 512 Ca 0.60 1.30 -0.22 0.00 0.02 0.00 0.00 56.10 57.81 3gvk s TRP 512 Cb -0.14 -3.76 -0.03 0.00 -1.15 0.00 0.00 33.47 28.39 3gvk s TRP 512 CO 0.47 -2.18 0.66 0.50 0.02 0.00 0.00 176.95 176.42 3gvk s ARG 513 N -1.54 4.25 -0.19 4.98 3.52 0.70 -4.93 118.95 125.74 3gvk s ARG 513 Ca 0.52 0.70 -0.00 0.00 -0.13 0.00 0.00 55.73 56.81 3gvk s ARG 513 Cb -0.41 -3.56 0.01 0.00 -1.56 0.00 0.00 34.95 29.43 3gvk s ARG 513 CO 0.52 -0.20 -0.16 0.15 -0.81 0.00 0.00 175.30 174.81 3gvk s LYS 514 N 1.77 3.10 -0.32 5.12 1.02 -1.26 -0.89 119.74 128.28 3gvk s LYS 514 Ca 0.31 -0.77 -0.04 0.00 0.02 0.00 0.00 55.97 55.49 3gvk s LYS 514 Cb -0.16 -2.70 0.05 0.00 -0.52 0.00 0.00 37.83 34.50 3gvk s LYS 514 CO 0.11 -0.21 0.06 0.99 -0.92 0.00 0.00 175.35 175.39 3gvk s THR 515 N 1.34 3.40 -0.13 2.17 2.01 0.31 -4.99 115.64 119.75 3gvk s THR 515 Ca 0.05 -1.28 -0.29 0.00 0.31 0.00 0.00 61.69 60.48 3gvk s THR 515 Cb -0.13 -2.95 -0.03 0.00 0.01 0.00 0.00 72.50 69.40 3gvk s THR 515 CO -0.10 -0.16 1.35 -0.62 -0.69 0.00 0.00 174.62 174.40 3gvk s ASP 516 N 1.36 6.88 0.00 3.53 -1.08 -1.26 -1.12 116.67 124.98 3gvk s ASP 516 Ca -0.03 1.83 0.19 0.00 -0.52 0.00 0.00 52.55 54.02 3gvk s ASP 516 Cb -0.20 -2.54 0.37 0.00 -1.46 0.00 0.00 42.92 39.10 3gvk s ASP 516 CO 0.01 -0.79 1.30 0.18 0.52 0.00 0.00 175.17 176.39 3gvk n LEU 517 N 6.62 3.18 0.00 -1.34 4.77 0.02 -4.98 117.00 125.28 3gvk n LEU 517 Ca 0.14 -1.60 0.00 0.00 -0.03 0.00 0.00 56.01 54.53 3gvk n LEU 517 Cb 0.44 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 3gvk n LEU 517 CO 0.57 0.72 0.00 0.61 -1.33 0.00 0.00 177.39 177.96 3gvk n GLY 518 N 1.17 0.10 3.48 -0.72 0.00 -1.19 -4.10 105.19 103.93 3gvk n GLY 518 Ca 0.16 -0.96 -0.43 0.00 0.00 0.00 0.00 46.02 44.80 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 4.21 0.13 0.99 2.96 -1.26 -1.06 118.68 124.65 3gvk s LEU 519 Ca 0.00 -1.16 -0.31 0.00 -0.22 0.00 0.00 54.13 52.44 3gvk s LEU 519 Cb 0.00 -2.46 -0.10 0.00 0.50 0.00 0.00 46.19 44.13 3gvk s LEU 519 CO 0.00 -1.44 1.83 -0.63 -1.32 0.00 0.00 176.35 174.78 3gvk s ILE 520 N 4.18 2.52 0.58 6.68 1.01 -1.26 -4.93 121.20 129.98 3gvk s ILE 520 Ca 0.29 0.05 -0.20 0.00 0.00 0.00 0.00 60.65 60.79 3gvk s ILE 520 Cb -0.11 -3.03 -0.04 0.00 0.01 0.00 0.00 42.46 39.29 3gvk s ILE 520 CO 0.05 0.00 1.27 -2.84 0.00 0.00 0.00 174.94 173.42 3gvk s PRO 521 N 2.69 3.00 -1.29 2.79 0.02 -1.26 -3.65 135.00 137.30 3gvk s PRO 521 Ca 0.81 2.00 -0.07 0.00 0.02 0.00 0.00 61.00 63.76 3gvk s PRO 521 Cb -0.46 -2.05 -0.00 0.00 0.02 0.00 0.00 34.50 32.00 3gvk s PRO 521 CO 0.36 -1.23 0.60 0.43 -0.33 0.00 0.00 177.00 176.83 3gvk n SER 522 N -1.39 -2.14 -3.80 2.53 7.64 -1.26 -5.00 113.62 110.20 3gvk n SER 522 Ca 0.13 -0.96 -0.18 0.00 1.01 0.00 0.00 58.87 58.86 3gvk n SER 522 Cb 0.48 -3.41 -0.16 0.00 -1.01 0.00 0.00 64.21 60.10 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 -3.73 0.17 -0.27 0.44 1.01 -1.24 -4.49 120.40 112.29 3gvk s VAL 523 Ca 0.16 0.11 -0.13 0.00 0.00 0.00 0.00 61.98 62.12 3gvk s VAL 523 Cb -0.05 -0.28 -0.13 0.00 0.00 0.00 0.00 36.38 35.91 3gvk s VAL 523 CO 0.86 0.15 -0.30 0.41 0.00 0.00 0.00 175.10 176.22 3gvk n THR 524 N 4.29 1.53 -3.85 3.92 -1.04 0.31 -4.93 114.28 114.50 3gvk n THR 524 Ca -0.24 -0.39 -0.12 0.00 -2.04 0.00 0.00 64.05 61.27 3gvk n THR 524 Cb 0.50 -1.84 -0.13 0.00 -1.82 0.00 0.00 70.33 67.05 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 -2.50 0.16 -0.20 -2.82 2.02 -1.11 -4.77 118.70 109.49 3gvk s GLU 525 Ca -0.38 0.01 -0.09 0.00 0.02 0.00 0.00 54.97 54.53 3gvk s GLU 525 Cb 0.14 0.07 -0.05 0.00 0.10 0.00 0.00 34.13 34.39 3gvk s GLU 525 CO 0.51 -0.03 0.10 0.08 0.02 0.00 0.00 175.26 175.95 3gvk s VAL 526 N -0.23 5.12 -0.14 2.63 1.01 -1.26 -2.25 120.40 125.28 3gvk s VAL 526 Ca -0.03 0.09 -0.07 0.00 0.00 0.00 0.00 61.98 61.96 3gvk s VAL 526 Cb -0.02 -3.33 0.05 0.00 0.00 0.00 0.00 36.38 33.08 3gvk s VAL 526 CO 0.00 0.44 0.33 -2.28 0.00 0.00 0.00 175.10 173.59 3gvk s HIS 527 N 0.45 -0.47 0.00 5.22 5.04 0.66 -3.90 115.29 122.30 3gvk s HIS 527 Ca 0.06 1.04 0.00 0.00 -1.54 0.00 0.00 55.06 54.62 3gvk s HIS 527 Cb -0.12 0.16 0.00 0.00 0.04 0.00 0.00 32.58 32.66 3gvk s HIS 527 CO -0.00 -0.29 0.00 0.45 -2.34 0.00 0.00 174.74 172.56 3gvk n SER 528 N 4.21 -0.05 -3.70 9.88 2.88 -0.22 -1.36 113.62 125.27 3gvk n SER 528 Ca -0.24 0.01 -0.11 0.00 -1.33 0.00 0.00 58.87 57.20 3gvk n SER 528 Cb 0.54 -0.02 -0.11 0.00 -0.75 0.00 0.00 64.21 63.87 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 -3.02 -0.53 -0.22 0.66 5.36 -1.26 -2.45 117.98 116.53 3gvk s PHE 529 Ca 0.00 1.16 -0.01 0.00 -0.96 0.00 0.00 56.93 57.11 3gvk s PHE 529 Cb 0.00 0.21 0.06 0.00 -0.34 0.00 0.00 43.02 42.95 3gvk s PHE 529 CO 0.00 -0.32 -0.00 0.00 -1.46 0.00 0.00 175.22 173.44 3gvk s ALA 530 N 1.39 1.45 0.16 11.12 0.00 -0.08 -4.74 121.76 131.06 3gvk s ALA 530 Ca -0.09 -1.02 -0.32 0.00 0.00 0.00 0.00 51.96 50.53 3gvk s ALA 530 Cb -0.09 -1.31 -0.10 0.00 0.00 0.00 0.00 23.12 21.62 3gvk s ALA 530 CO -0.12 -1.20 1.60 0.99 0.00 0.00 0.00 175.76 177.03 3gvk s THR 531 N 1.64 2.57 -0.23 0.00 2.01 -1.26 -0.74 115.64 119.63 3gvk s THR 531 Ca -0.03 0.39 -0.16 0.00 0.31 0.00 0.00 61.69 62.20 3gvk s THR 531 Cb -0.18 -3.25 -0.11 0.00 0.01 0.00 0.00 72.50 68.97 3gvk s THR 531 CO -0.08 0.03 -0.23 -0.38 -0.69 0.00 0.00 174.62 173.27 3gvk n ILE 532 N 4.03 1.51 -1.89 1.82 2.08 -0.59 -4.65 119.36 121.67 3gvk n ILE 532 Ca 0.14 -0.15 0.00 0.00 0.56 0.00 0.00 62.75 63.30 3gvk n ILE 532 Cb 0.38 -2.06 0.00 0.00 -0.75 0.00 0.00 39.64 37.22 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 -4.36 0.00 0.00 4.38 5.68 -1.09 -5.01 116.55 116.14 3gvk n ASP 533 Ca -0.38 0.00 0.07 0.00 -0.50 0.00 0.00 54.79 53.99 3gvk n ASP 533 Cb 0.72 0.00 0.35 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 0.00 -0.02 -1.12 5.15 -1.26 -3.79 115.26 114.21 3gvk n ASN 534 Ca 0.00 0.37 -0.02 0.00 -0.60 0.00 0.00 54.58 54.33 3gvk n ASN 534 Cb 0.00 -0.44 -0.04 0.00 -0.53 0.00 0.00 39.78 38.77 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 -1.44 3.73 -1.45 1.20 5.03 -1.26 -4.63 115.26 116.43 3gvk n ASN 535 Ca 0.05 0.00 -0.02 0.00 0.87 0.00 0.00 54.58 55.48 3gvk n ASN 535 Cb 0.16 0.68 0.01 0.00 -1.02 0.00 0.00 39.78 39.61 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 2.64 1.60 3.78 7.41 0.00 -1.23 -1.26 105.19 118.13 3gvk n GLY 536 Ca -0.08 -1.05 -0.07 0.00 0.00 0.00 0.00 46.02 44.82 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 -6.82 -0.23 0.13 1.61 -0.12 -0.91 -1.55 117.98 110.09 3gvk s PHE 537 Ca 0.04 -0.17 0.10 0.00 -0.05 0.00 0.00 56.93 56.85 3gvk s PHE 537 Cb -0.01 0.68 -0.04 0.00 -0.63 0.00 0.00 43.02 43.02 3gvk s PHE 537 CO 0.02 -1.13 -0.22 0.00 -0.05 0.00 0.00 175.22 173.84 3gvk s ALA 538 N -3.81 2.55 -0.04 1.99 0.00 0.09 -0.45 121.76 122.09 3gvk s ALA 538 Ca 0.10 -1.42 0.05 0.00 0.00 0.00 0.00 51.96 50.68 3gvk s ALA 538 Cb -0.05 -0.52 -0.01 0.00 0.00 0.00 0.00 23.12 22.55 3gvk s ALA 538 CO 0.04 0.56 -0.18 -1.64 0.00 0.00 0.00 175.76 174.54 3gvk s MET 539 N -2.15 1.78 0.65 0.00 -1.94 0.02 -0.90 119.30 116.76 3gvk s MET 539 Ca 0.17 -0.63 -0.12 0.00 -1.71 0.00 0.00 55.69 53.40 3gvk s MET 539 Cb -0.10 -1.56 -0.02 0.00 2.01 0.00 0.00 34.83 35.16 3gvk s MET 539 CO 0.08 0.27 1.05 0.20 -0.01 0.00 0.00 175.02 176.61 3gvk s GLY 540 N -0.04 1.76 0.17 -0.03 0.00 -0.46 0.20 107.32 108.91 3gvk s GLY 540 Ca -0.02 0.09 -0.16 0.00 0.00 0.00 0.00 44.72 44.63 3gvk s GLY 540 CO 0.02 0.39 0.46 -2.52 0.00 0.00 0.00 173.10 171.45 3gvk s TYR 541 N -2.96 -0.10 0.10 1.90 -0.85 -0.29 -0.24 117.35 114.90 3gvk s TYR 541 Ca 0.58 -0.24 -0.09 0.00 -0.52 0.00 0.00 57.07 56.81 3gvk s TYR 541 Cb -0.13 0.30 -0.00 0.00 0.38 0.00 0.00 41.96 42.51 3gvk s TYR 541 CO 0.50 -0.82 0.20 -3.38 -1.52 0.00 0.00 175.55 170.53 3gvk s HIS 542 N -3.86 0.18 -0.16 -3.49 -3.43 -0.95 -1.70 115.29 101.87 3gvk s HIS 542 Ca 0.08 -0.60 0.00 0.00 -0.80 0.00 0.00 55.06 53.74 3gvk s HIS 542 Cb 0.00 -0.06 0.03 0.00 -1.43 0.00 0.00 32.58 31.12 3gvk s HIS 542 CO -0.06 -0.56 -0.12 -1.14 -2.00 0.00 0.00 174.74 170.86 3gvk s GLN 543 N -3.87 2.15 -0.02 -0.38 -0.44 0.12 -0.53 119.66 116.68 3gvk s GLN 543 Ca 0.06 -0.59 0.03 0.00 -2.50 0.00 0.00 55.36 52.36 3gvk s GLN 543 Cb 0.05 -2.13 0.05 0.00 -1.64 0.00 0.00 33.01 29.34 3gvk s GLN 543 CO -0.10 -0.29 0.99 0.41 0.50 0.00 0.00 175.29 176.80 3gvk n GLY 544 N 4.77 1.09 0.14 2.59 0.00 -1.26 -2.07 105.19 110.44 3gvk n GLY 544 Ca -0.16 -0.21 -0.22 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.27 2.12 -4.44 1.61 8.00 -1.26 -4.98 116.55 117.32 3gvk n ASP 545 Ca 0.03 0.23 -0.22 0.00 0.71 0.00 0.00 54.79 55.54 3gvk n ASP 545 Cb 0.67 -0.88 -0.10 0.00 -0.02 0.00 0.00 41.12 40.78 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 -2.55 1.55 0.17 2.53 -7.23 -1.26 -5.15 120.40 108.45 3gvk s VAL 546 Ca -0.22 -2.09 -0.18 0.00 -1.81 0.00 0.00 61.98 57.68 3gvk s VAL 546 Cb 0.06 -2.55 -0.07 0.00 0.56 0.00 0.00 36.38 34.38 3gvk s VAL 546 CO 0.76 -0.22 0.63 0.00 -0.31 0.00 0.00 175.10 175.97 3gvk s ALA 547 N -3.07 3.51 0.55 1.32 0.00 -1.26 -4.04 121.76 118.77 3gvk s ALA 547 Ca 0.31 0.04 -0.07 0.00 0.00 0.00 0.00 51.96 52.24 3gvk s ALA 547 Cb 0.05 -2.68 -0.02 0.00 0.00 0.00 0.00 23.12 20.47 3gvk s ALA 547 CO 0.13 0.39 0.88 -1.25 0.00 0.00 0.00 175.76 175.91 3gvk s PRO 548 N -1.79 3.34 0.36 0.00 0.04 -1.26 -5.13 135.00 130.55 3gvk s PRO 548 Ca 0.38 0.26 -0.27 0.00 0.04 0.00 0.00 61.00 61.41 3gvk s PRO 548 Cb -0.17 -2.27 -0.09 0.00 0.04 0.00 0.00 34.50 32.01 3gvk s PRO 548 CO 0.20 -0.46 1.16 0.50 0.04 0.00 0.00 177.00 178.45 3gvk s ARG 549 N -4.93 4.27 -0.04 4.56 3.52 -1.26 -4.94 118.95 120.15 3gvk s ARG 549 Ca 0.51 1.87 0.07 0.00 -0.13 0.00 0.00 55.73 58.05 3gvk s ARG 549 Cb -0.11 -2.87 -0.02 0.00 -1.56 0.00 0.00 34.95 30.40 3gvk s ARG 549 CO 0.47 -0.14 -0.25 -1.21 -0.81 0.00 0.00 175.30 173.36 3gvk s GLU 550 N -2.00 2.30 -0.02 5.12 2.02 -0.88 -4.76 118.70 120.47 3gvk s GLU 550 Ca 0.52 -0.92 0.01 0.00 0.02 0.00 0.00 54.97 54.61 3gvk s GLU 550 Cb -0.32 -2.09 0.01 0.00 0.10 0.00 0.00 34.13 31.84 3gvk s GLU 550 CO 0.41 0.48 -0.03 0.08 0.02 0.00 0.00 175.26 176.21 3gvk s VAL 551 N -0.41 0.35 -0.14 2.63 1.01 -1.26 0.11 120.40 122.68 3gvk s VAL 551 Ca 0.04 -0.10 0.00 0.00 0.00 0.00 0.00 61.98 61.92 3gvk s VAL 551 Cb -0.12 -0.36 0.00 0.00 0.00 0.00 0.00 36.38 35.90 3gvk s VAL 551 CO 0.01 0.14 0.00 0.61 0.00 0.00 0.00 175.10 175.87 3gvk n GLY 552 N 3.57 -0.95 3.17 4.51 0.00 -0.69 -1.38 105.19 113.41 3gvk n GLY 552 Ca -0.20 -0.08 -0.09 0.00 0.00 0.00 0.00 46.02 45.65 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 1.58 -0.27 0.99 0.05 -0.07 -1.14 118.68 119.82 3gvk s LEU 553 Ca 0.00 -0.55 -0.06 0.00 0.05 0.00 0.00 54.13 53.58 3gvk s LEU 553 Cb 0.00 0.84 0.00 0.00 -2.05 0.00 0.00 46.19 44.98 3gvk s LEU 553 CO 0.00 -0.60 0.04 -0.36 -0.55 0.00 0.00 176.35 174.88 3gvk s PHE 554 N -3.09 3.09 -0.23 3.48 0.08 0.13 -1.01 117.98 120.43 3gvk s PHE 554 Ca -0.01 -0.95 -0.16 0.00 0.12 0.00 0.00 56.93 55.93 3gvk s PHE 554 Cb 0.02 -2.20 -0.04 0.00 -0.57 0.00 0.00 43.02 40.23 3gvk s PHE 554 CO -0.07 -0.55 0.43 -0.47 -0.10 0.00 0.00 175.22 174.46 3gvk s TYR 555 N 1.49 3.32 -0.75 0.36 5.04 -0.07 -0.80 117.35 125.95 3gvk s TYR 555 Ca 0.03 0.58 -0.12 0.00 -2.44 0.00 0.00 57.07 55.12 3gvk s TYR 555 Cb -0.16 -2.60 0.19 0.00 0.35 0.00 0.00 41.96 39.75 3gvk s TYR 555 CO 0.01 -0.14 0.67 -0.06 -1.34 0.00 0.00 175.55 174.69 3gvk s PHE 556 N 1.76 3.63 0.33 4.97 0.08 0.41 0.51 117.98 129.67 3gvk s PHE 556 Ca 0.19 -2.00 0.05 0.00 0.12 0.00 0.00 56.93 55.28 3gvk s PHE 556 Cb -0.15 -3.71 0.59 0.00 -0.57 0.00 0.00 43.02 39.18 3gvk s PHE 556 CO 0.09 -0.97 1.86 -1.35 -0.10 0.00 0.00 175.22 174.74 3gvk h PRO 557 N 7.84 0.49 -2.34 0.24 0.11 -1.81 -2.43 132.00 134.10 3gvk h PRO 557 Ca 0.02 -0.12 -0.59 0.00 0.11 0.00 0.00 66.00 65.43 3gvk h PRO 557 Cb 1.04 -0.07 -0.38 0.00 0.11 0.00 0.00 31.00 31.70 3gvk h PRO 557 CO 0.79 0.56 -0.98 -3.47 -0.21 0.00 0.00 178.00 174.68 3gvk n ASP 558 N -4.26 -0.36 0.24 -2.05 -0.08 -1.26 -3.53 116.55 105.26 3gvk n ASP 558 Ca 0.01 -2.42 0.17 0.00 -1.51 0.00 0.00 54.79 51.04 3gvk n ASP 558 Cb 0.27 -0.56 0.76 0.00 2.34 0.00 0.00 41.12 43.93 3gvk n ASP 558 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3gvk h ALA 559 N 5.47 1.00 0.00 -1.67 0.00 -1.31 0.73 119.26 123.49 3gvk h ALA 559 Ca 0.25 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 3gvk h ALA 559 Cb 0.90 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.69 3gvk h ALA 559 CO 0.39 0.00 -0.00 0.74 0.00 0.00 0.00 179.25 180.38 3gvk h PHE 560 N 0.00 -0.00 0.00 0.00 0.04 -1.94 -3.23 116.94 111.81 3gvk h PHE 560 Ca 0.00 -0.00 -0.25 0.00 2.80 0.00 0.00 57.97 60.52 3gvk h PHE 560 Cb 0.28 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.39 3gvk h PHE 560 CO 0.00 0.95 -1.42 -0.91 -0.60 0.00 0.00 178.31 176.33 3gvk h ASN 561 N -0.98 0.00 -2.04 2.17 -0.26 -1.91 -3.42 115.58 109.13 3gvk h ASN 561 Ca -0.00 0.00 -0.54 0.00 -0.56 0.00 0.00 56.30 55.19 3gvk h ASN 561 Cb 0.95 0.00 -0.40 0.00 -1.06 0.00 0.00 38.32 37.81 3gvk h ASN 561 CO 0.00 0.96 -1.04 -1.20 -1.06 0.00 0.00 177.43 175.10 3gvk n SER 562 N -3.15 1.11 0.25 5.81 7.64 0.25 -4.95 113.62 120.59 3gvk n SER 562 Ca -0.10 -2.94 0.17 0.00 1.01 0.00 0.00 58.87 57.00 3gvk n SER 562 Cb 0.99 -0.63 0.82 0.00 -1.01 0.00 0.00 64.21 64.38 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 3.67 0.00 0.00 1.43 0.13 -1.67 -1.98 132.00 133.58 3gvk h PRO 563 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 3gvk h PRO 563 Cb 0.85 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.98 3gvk h PRO 563 CO 0.54 0.00 -0.31 0.77 -0.23 0.00 0.00 178.00 178.78 3gvk h SER 564 N 0.00 0.00 -3.36 1.44 0.02 -1.91 -3.44 113.55 106.30 3gvk h SER 564 Ca 0.00 -0.05 -0.62 0.00 -0.84 0.00 0.00 61.79 60.28 3gvk h SER 564 Cb 0.19 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 62.61 3gvk h SER 564 CO 0.00 0.03 0.48 0.21 -1.14 0.00 0.00 176.83 176.40 3gvk s ASN 565 N -5.05 6.36 0.16 3.07 2.47 -0.74 -5.02 114.94 116.19 3gvk s ASN 565 Ca 0.07 -0.29 0.08 0.00 0.42 0.00 0.00 52.86 53.14 3gvk s ASN 565 Cb 0.10 -2.41 -0.04 0.00 -1.45 0.00 0.00 41.25 37.45 3gvk s ASN 565 CO 0.68 -1.11 -0.18 -0.72 -3.72 0.00 0.00 177.10 172.05 3gvk s TYR 566 N 3.67 1.76 -0.21 0.43 -0.85 -1.26 -4.17 117.35 116.72 3gvk s TYR 566 Ca 0.30 -0.48 0.02 0.00 -0.52 0.00 0.00 57.07 56.38 3gvk s TYR 566 Cb -0.13 -0.89 0.04 0.00 0.38 0.00 0.00 41.96 41.37 3gvk s TYR 566 CO 0.20 0.30 -0.14 0.08 -1.52 0.00 0.00 175.55 174.47 3gvk s VAL 567 N -2.04 1.96 -0.14 -3.49 1.01 0.18 -4.89 120.40 112.99 3gvk s VAL 567 Ca 0.14 -1.19 -0.29 0.00 0.00 0.00 0.00 61.98 60.64 3gvk s VAL 567 Cb -0.06 -1.95 -0.01 0.00 0.00 0.00 0.00 36.38 34.37 3gvk s VAL 567 CO 0.06 0.23 1.02 -0.60 0.00 0.00 0.00 175.10 175.81 3gvk s ARG 568 N 1.26 4.37 -0.10 2.72 3.52 -1.26 -0.89 118.95 128.57 3gvk s ARG 568 Ca -0.02 1.39 -0.02 0.00 -0.13 0.00 0.00 55.73 56.95 3gvk s ARG 568 Cb -0.16 -3.57 0.03 0.00 -1.56 0.00 0.00 34.95 29.69 3gvk s ARG 568 CO -0.09 -0.41 -0.00 1.03 -0.81 0.00 0.00 175.30 175.02 3gvk s ARG 569 N 2.37 0.72 0.30 5.12 0.52 -0.18 -5.01 118.95 122.78 3gvk s ARG 569 Ca 0.47 -0.03 -0.07 0.00 -0.52 0.00 0.00 55.73 55.57 3gvk s ARG 569 Cb -0.17 -1.26 -0.06 0.00 0.52 0.00 0.00 34.95 33.97 3gvk s ARG 569 CO 0.14 -0.37 0.59 -0.65 0.02 0.00 0.00 175.30 175.04 3gvk s GLN 570 N 1.92 3.70 0.86 3.54 -0.21 -1.26 -0.89 119.66 127.33 3gvk s GLN 570 Ca 0.04 0.16 -0.12 0.00 0.02 0.00 0.00 55.36 55.46 3gvk s GLN 570 Cb -0.13 -2.60 0.11 0.00 1.00 0.00 0.00 33.01 31.39 3gvk s GLN 570 CO -0.06 0.19 1.11 0.96 -2.12 0.00 0.00 175.29 175.37 3gvk s ILE 571 N -2.07 2.63 0.50 1.08 -4.36 -0.48 -4.95 121.20 113.55 3gvk s ILE 571 Ca 0.46 0.20 -0.22 0.00 -0.26 0.00 0.00 60.65 60.83 3gvk s ILE 571 Cb -0.11 -2.89 -0.07 0.00 1.25 0.00 0.00 42.46 40.64 3gvk s ILE 571 CO 0.28 -0.27 1.12 -2.65 0.24 0.00 0.00 174.94 173.67 3gvk n PRO 572 N -3.66 1.41 -0.35 0.37 -0.02 -1.26 -4.87 135.00 126.62 3gvk n PRO 572 Ca 0.07 0.52 0.05 0.00 -2.02 0.00 0.00 63.50 62.12 3gvk n PRO 572 Cb 0.57 -2.27 0.21 0.00 -0.02 0.00 0.00 33.50 32.00 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 1.32 0.90 0.55 2.55 4.64 -1.98 -1.98 113.55 119.54 3gvk h SER 573 Ca -0.48 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 3gvk h SER 573 Cb 1.33 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 3gvk h SER 573 CO 0.56 0.50 0.00 -1.84 -0.87 0.00 0.00 176.83 175.18 3gvk n GLU 574 N -4.62 0.18 0.00 4.77 0.28 -1.26 -2.23 120.64 117.76 3gvk n GLU 574 Ca 0.17 0.48 0.11 0.00 -0.16 0.00 0.00 57.16 57.76 3gvk n GLU 574 Cb 0.31 -1.90 0.06 0.00 1.43 0.00 0.00 31.44 31.34 3gvk n GLU 574 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 3gvk n TYR 575 N -2.25 0.00 0.10 -1.84 4.01 -0.75 -4.49 117.16 111.94 3gvk n TYR 575 Ca 0.01 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.59 3gvk n TYR 575 Cb 0.18 0.00 -0.14 0.00 -0.31 0.00 0.00 39.34 39.07 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 3.66 0.26 -6.97 -0.72 5.08 -1.48 -3.43 114.58 110.99 3gvk h GLU 576 Ca 0.00 -0.45 -0.54 0.00 -1.00 0.00 0.00 59.36 57.37 3gvk h GLU 576 Cb 0.86 0.17 0.11 0.00 0.50 0.00 0.00 28.75 30.38 3gvk h GLU 576 CO 0.00 1.21 0.72 -2.14 -1.00 0.00 0.00 179.01 177.80 3gvk s PRO 577 N -2.65 3.89 -1.56 2.33 0.02 -1.26 -3.09 135.00 132.69 3gvk s PRO 577 Ca -0.04 2.45 -0.05 0.00 0.02 0.00 0.00 61.00 63.38 3gvk s PRO 577 Cb 0.07 -2.80 0.01 0.00 0.02 0.00 0.00 34.50 31.80 3gvk s PRO 577 CO 0.88 -0.66 0.56 -0.25 -0.33 0.00 0.00 177.00 177.20 3gvk n ASP 578 N 0.12 -5.96 -4.09 2.53 8.00 -1.26 -4.98 116.55 110.90 3gvk n ASP 578 Ca 0.03 -0.27 -0.12 0.00 0.71 0.00 0.00 54.79 55.14 3gvk n ASP 578 Cb 0.41 -4.83 -0.11 0.00 -0.02 0.00 0.00 41.12 36.57 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 -3.15 0.67 0.35 2.24 0.00 -1.18 -1.24 121.76 119.45 3gvk s ALA 579 Ca 0.29 -0.96 -0.13 0.00 0.00 0.00 0.00 51.96 51.16 3gvk s ALA 579 Cb -0.13 0.10 0.03 0.00 0.00 0.00 0.00 23.12 23.12 3gvk s ALA 579 CO 0.36 -0.12 0.68 -1.54 0.00 0.00 0.00 175.76 175.15 3gvk s SER 580 N -2.11 0.18 -0.96 0.00 1.04 0.28 -4.90 113.70 107.24 3gvk s SER 580 Ca -0.03 -1.14 -0.12 0.00 0.48 0.00 0.00 55.95 55.14 3gvk s SER 580 Cb -0.04 0.77 0.02 0.00 0.10 0.00 0.00 66.02 66.87 3gvk s SER 580 CO -0.02 -1.52 0.62 -0.62 0.98 0.00 0.00 173.24 172.69 3gvk n GLU 581 N -0.52 -1.07 -2.37 4.02 1.02 -1.26 -0.88 120.64 119.57 3gvk n GLU 581 Ca -0.05 0.50 -0.41 0.00 -0.02 0.00 0.00 57.16 57.18 3gvk n GLU 581 Cb 0.60 -2.27 -0.04 0.00 -0.02 0.00 0.00 31.44 29.72 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 -5.85 4.54 -0.11 3.49 0.04 -1.26 -3.97 135.00 131.89 3gvk s PRO 582 Ca 0.17 1.91 -0.15 0.00 0.04 0.00 0.00 61.00 62.96 3gvk s PRO 582 Cb -0.10 -3.18 -0.05 0.00 0.04 0.00 0.00 34.50 31.21 3gvk s PRO 582 CO 0.92 0.04 0.37 0.00 0.04 0.00 0.00 177.00 178.38 3gvk s ILE 584 N 0.12 1.17 0.05 0.00 -4.36 -1.26 -1.20 121.20 115.72 3gvk s ILE 584 Ca 0.21 -0.60 -0.07 0.00 -0.26 0.00 0.00 60.65 59.94 3gvk s ILE 584 Cb -0.14 -1.00 -0.01 0.00 1.25 0.00 0.00 42.46 42.56 3gvk s ILE 584 CO 0.08 0.34 0.13 -0.54 0.24 0.00 0.00 174.94 175.19 3gvk s LYS 585 N -0.08 0.65 -0.14 0.37 -0.14 -0.69 -4.12 119.74 115.59 3gvk s LYS 585 Ca 0.00 -0.77 0.00 0.00 -1.36 0.00 0.00 55.97 53.84 3gvk s LYS 585 Cb -0.08 0.26 0.03 0.00 -1.68 0.00 0.00 37.83 36.35 3gvk s LYS 585 CO 0.01 -0.17 -0.11 -0.47 -0.76 0.00 0.00 175.35 173.85 3gvk s TYR 586 N -2.83 1.92 -0.07 3.18 5.04 -1.26 -0.52 117.35 122.81 3gvk s TYR 586 Ca -0.03 -1.09 0.00 0.00 -2.44 0.00 0.00 57.07 53.51 3gvk s TYR 586 Cb 0.00 -1.45 0.02 0.00 0.35 0.00 0.00 41.96 40.88 3gvk s TYR 586 CO -0.06 -0.62 -0.04 0.71 -1.34 0.00 0.00 175.55 174.21 3gvk s TYR 587 N 1.57 0.88 -1.39 4.97 2.02 0.07 -4.91 117.35 120.56 3gvk s TYR 587 Ca 0.04 -0.30 -0.05 0.00 -0.37 0.00 0.00 57.07 56.39 3gvk s TYR 587 Cb -0.13 -0.83 0.00 0.00 -0.40 0.00 0.00 41.96 40.60 3gvk s TYR 587 CO -0.09 -0.30 0.39 -0.25 -1.57 0.00 0.00 175.55 173.73 3gvk n ASP 588 N 4.57 -0.92 0.00 2.29 8.00 -1.26 -0.74 116.55 128.49 3gvk n ASP 588 Ca -0.16 -1.09 0.00 0.00 0.71 0.00 0.00 54.79 54.24 3gvk n ASP 588 Cb 0.50 -2.65 0.00 0.00 -0.02 0.00 0.00 41.12 38.96 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 -2.10 0.76 3.29 0.44 0.00 -1.26 -5.02 105.19 101.31 3gvk n GLY 589 Ca -0.27 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.41 3gvk n GLY 589 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gvk s VAL 590 N -3.12 2.82 -0.23 1.61 1.01 0.08 -4.45 120.40 118.12 3gvk s VAL 590 Ca 0.00 -0.72 -0.16 0.00 0.00 0.00 0.00 61.98 61.10 3gvk s VAL 590 Cb 0.00 -2.20 -0.04 0.00 0.00 0.00 0.00 36.38 34.14 3gvk s VAL 590 CO 0.00 0.51 0.44 -0.22 0.00 0.00 0.00 175.10 175.82 3gvk s LEU 591 N 0.83 4.11 -0.08 3.92 2.96 0.27 -0.75 118.68 129.94 3gvk s LEU 591 Ca -0.04 0.49 -0.00 0.00 -0.22 0.00 0.00 54.13 54.36 3gvk s LEU 591 Cb -0.15 -2.56 -0.03 0.00 0.50 0.00 0.00 46.19 43.95 3gvk s LEU 591 CO 0.00 -0.16 -0.05 -0.31 -1.32 0.00 0.00 176.35 174.51 3gvk s TYR 592 N 1.72 2.99 -0.03 5.38 2.02 0.32 -0.95 117.35 128.80 3gvk s TYR 592 Ca 0.19 0.03 0.01 0.00 -0.37 0.00 0.00 57.07 56.94 3gvk s TYR 592 Cb -0.15 -1.74 0.02 0.00 -0.40 0.00 0.00 41.96 39.69 3gvk s TYR 592 CO 0.09 0.33 -0.01 -1.17 -1.57 0.00 0.00 175.55 173.22 3gvk s LEU 593 N -0.74 1.32 -0.09 -1.29 0.20 0.16 -1.71 118.68 116.52 3gvk s LEU 593 Ca 0.11 -0.05 0.01 0.00 0.69 0.00 0.00 54.13 54.90 3gvk s LEU 593 Cb -0.11 -0.25 0.02 0.00 -0.43 0.00 0.00 46.19 45.41 3gvk s LEU 593 CO 0.02 -0.07 -0.12 -0.63 -0.29 0.00 0.00 176.35 175.26 3gvk s ILE 594 N 0.84 1.18 0.41 6.68 1.01 -0.34 -0.49 121.20 130.49 3gvk s ILE 594 Ca -0.09 -0.46 -0.02 0.00 0.00 0.00 0.00 60.65 60.08 3gvk s ILE 594 Cb -0.12 -1.11 -0.03 0.00 0.01 0.00 0.00 42.46 41.20 3gvk s ILE 594 CO -0.01 0.38 0.65 0.42 0.00 0.00 0.00 174.94 176.38 3gvk s THR 595 N 1.03 5.00 -0.09 2.92 -4.23 -0.70 -0.79 115.64 118.78 3gvk s THR 595 Ca -0.07 -0.18 -0.15 0.00 -1.18 0.00 0.00 61.69 60.11 3gvk s THR 595 Cb -0.15 -3.86 -0.05 0.00 1.34 0.00 0.00 72.50 69.79 3gvk s THR 595 CO -0.01 -0.68 0.36 -0.60 -0.54 0.00 0.00 174.62 173.16 3gvk s ARG 596 N -4.50 4.09 0.21 3.99 3.52 -0.06 -4.17 118.95 122.02 3gvk s ARG 596 Ca 0.43 0.27 -0.29 0.00 -0.13 0.00 0.00 55.73 56.01 3gvk s ARG 596 Cb -0.10 -3.34 -0.08 0.00 -1.56 0.00 0.00 34.95 29.87 3gvk s ARG 596 CO 0.40 0.42 0.90 0.20 -0.81 0.00 0.00 175.30 176.41 3gvk s GLY 597 N -0.16 3.06 0.10 8.12 0.00 -1.20 -0.56 107.32 116.68 3gvk s GLY 597 Ca 0.21 0.55 0.03 0.00 0.00 0.00 0.00 44.72 45.51 3gvk s GLY 597 CO 0.09 1.15 1.20 -0.91 0.00 0.00 0.00 173.10 174.63 3gvk h THR 598 N 3.31 1.61 -3.08 0.90 1.35 -1.47 0.66 112.91 116.18 3gvk h THR 598 Ca -0.45 -3.27 -0.12 0.00 -0.55 0.00 0.00 66.41 62.02 3gvk h THR 598 Cb 1.20 2.87 -0.21 0.00 -1.73 0.00 0.00 68.15 70.29 3gvk h THR 598 CO 0.68 0.93 -0.31 0.00 -0.25 0.00 0.00 175.52 176.58 3gvk s ARG 599 N -2.69 0.62 0.10 4.72 1.70 -1.26 -4.65 118.95 117.49 3gvk s ARG 599 Ca -0.01 -0.15 0.24 0.00 -0.47 0.00 0.00 55.73 55.33 3gvk s ARG 599 Cb 0.09 0.27 0.93 0.00 -0.57 0.00 0.00 34.95 35.67 3gvk s ARG 599 CO 0.84 -0.16 1.73 0.41 -1.08 0.00 0.00 175.30 177.04 3gvk n GLY 600 N 1.45 -1.38 1.28 3.88 0.00 -1.26 -3.12 105.19 106.04 3gvk n GLY 600 Ca -0.21 -0.03 0.11 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.83 3.73 -4.06 1.61 5.75 -1.26 -0.55 116.55 119.93 3gvk n ASP 601 Ca 0.05 -2.00 -0.09 0.00 -0.01 0.00 0.00 54.79 52.74 3gvk n ASP 601 Cb 0.30 -0.44 -0.11 0.00 -1.03 0.00 0.00 41.12 39.84 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 -1.13 0.54 0.08 0.11 0.52 -1.18 -5.00 118.95 112.90 3gvk s ARG 602 Ca 0.46 -0.96 -0.37 0.00 -0.52 0.00 0.00 55.73 54.34 3gvk s ARG 602 Cb 0.24 0.01 -0.17 0.00 0.52 0.00 0.00 34.95 35.55 3gvk s ARG 602 CO 0.32 -0.04 1.33 1.28 0.02 0.00 0.00 175.30 178.21 3gvk n LEU 603 N 0.80 1.61 0.00 2.53 4.32 -1.26 -4.64 117.00 120.36 3gvk n LEU 603 Ca -0.18 1.12 0.00 0.00 -0.02 0.00 0.00 56.01 56.93 3gvk n LEU 603 Cb 0.58 -1.18 0.00 0.00 -1.62 0.00 0.00 43.42 41.19 3gvk n LEU 603 CO 0.24 -1.07 0.00 0.61 -1.22 0.00 0.00 177.39 175.96 3gvk n GLY 604 N 2.49 3.15 3.55 -0.72 0.00 -1.26 -4.87 105.19 107.53 3gvk n GLY 604 Ca 0.18 -1.39 -0.51 0.00 0.00 0.00 0.00 46.02 44.30 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 0.98 -4.27 1.61 7.64 -0.37 -4.74 113.62 114.47 3gvk n SER 605 Ca 0.00 1.14 -0.19 0.00 1.01 0.00 0.00 58.87 60.83 3gvk n SER 605 Cb 0.00 -1.14 -0.11 0.00 -1.01 0.00 0.00 64.21 61.95 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 0.04 2.21 -0.01 6.43 1.04 -1.26 -1.73 113.70 120.43 3gvk s SER 606 Ca 0.78 -0.84 0.06 0.00 0.48 0.00 0.00 55.95 56.43 3gvk s SER 606 Cb -0.96 -0.10 -0.03 0.00 0.10 0.00 0.00 66.02 65.04 3gvk s SER 606 CO 0.52 -0.12 -0.17 -0.22 0.98 0.00 0.00 173.24 174.23 3gvk s LEU 607 N -2.56 2.59 -0.01 2.42 2.96 0.12 -1.71 118.68 122.48 3gvk s LEU 607 Ca 0.11 -0.33 -0.01 0.00 -0.22 0.00 0.00 54.13 53.68 3gvk s LEU 607 Cb -0.05 -1.51 0.00 0.00 0.50 0.00 0.00 46.19 45.13 3gvk s LEU 607 CO 0.04 0.30 0.04 -1.00 -1.32 0.00 0.00 176.35 174.41 3gvk s HIS 608 N -0.80 -0.04 0.06 5.38 3.76 0.36 -0.63 115.29 123.38 3gvk s HIS 608 Ca 0.13 0.10 0.06 0.00 -0.15 0.00 0.00 55.06 55.19 3gvk s HIS 608 Cb -0.10 0.01 -0.03 0.00 1.11 0.00 0.00 32.58 33.56 3gvk s HIS 608 CO 0.02 -0.02 -0.16 -0.98 -0.85 0.00 0.00 174.74 172.76 3gvk s ARG 609 N 0.05 0.94 -0.06 1.40 1.70 0.11 -0.66 118.95 122.44 3gvk s ARG 609 Ca -0.00 -0.92 -0.04 0.00 -0.47 0.00 0.00 55.73 54.30 3gvk s ARG 609 Cb -0.01 -1.00 0.02 0.00 -0.57 0.00 0.00 34.95 33.40 3gvk s ARG 609 CO -0.00 0.23 0.14 0.45 -1.08 0.00 0.00 175.30 175.05 3gvk s SER 610 N -1.52 -0.14 0.00 -2.89 0.15 -0.12 -0.59 113.70 108.58 3gvk s SER 610 Ca 0.01 0.29 0.22 0.00 0.70 0.00 0.00 55.95 57.18 3gvk s SER 610 Cb -0.09 0.26 0.52 0.00 -1.71 0.00 0.00 66.02 65.00 3gvk s SER 610 CO 0.02 -0.07 1.45 0.54 1.20 0.00 0.00 173.24 176.38 3gvk n ARG 611 N 3.31 2.60 -2.41 5.44 1.74 -1.26 -0.57 116.66 125.52 3gvk n ARG 611 Ca -0.16 -2.45 -0.06 0.00 -0.77 0.00 0.00 57.85 54.41 3gvk n ARG 611 Cb 0.57 -1.53 0.05 0.00 -1.02 0.00 0.00 32.46 30.53 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 1.54 2.41 -3.93 0.55 5.68 -1.26 -4.93 116.55 116.60 3gvk n ASP 612 Ca 0.21 -2.55 -0.26 0.00 -0.50 0.00 0.00 54.79 51.69 3gvk n ASP 612 Cb 0.61 -0.43 -0.00 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 -0.55 -2.97 -0.44 2.12 5.41 -1.26 -2.71 119.36 118.95 3gvk n ILE 613 Ca 0.17 -0.38 0.00 0.00 1.00 0.00 0.00 62.75 63.55 3gvk n ILE 613 Cb 0.87 -2.79 0.00 0.00 -0.71 0.00 0.00 39.64 37.01 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 -1.79 0.74 0.22 7.39 0.00 -1.26 -4.95 105.19 105.55 3gvk n GLY 614 Ca -0.22 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.65 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 3.57 0.77 -5.02 1.61 4.20 -1.89 -3.43 115.11 114.93 3gvk h GLN 615 Ca 0.00 -0.54 -0.33 0.00 0.06 0.00 0.00 58.65 57.84 3gvk h GLN 615 Cb 0.00 0.08 -0.18 0.00 0.30 0.00 0.00 27.48 27.68 3gvk h GLN 615 CO 0.00 1.16 -0.74 0.95 -0.67 0.00 0.00 178.83 179.54 3gvk s THR 616 N -3.97 0.99 0.08 -0.54 -4.23 -1.26 -5.06 115.64 101.65 3gvk s THR 616 Ca -0.11 -1.65 0.04 0.00 -1.18 0.00 0.00 61.69 58.79 3gvk s THR 616 Cb 0.09 -1.38 -0.03 0.00 1.34 0.00 0.00 72.50 72.51 3gvk s THR 616 CO 0.88 -0.54 -0.11 0.26 -0.54 0.00 0.00 174.62 174.56 3gvk s TRP 617 N -2.40 1.08 -0.07 3.99 0.52 -1.26 -4.47 118.94 116.33 3gvk s TRP 617 Ca 0.06 -0.55 0.04 0.00 0.02 0.00 0.00 56.10 55.66 3gvk s TRP 617 Cb -0.03 -0.60 -0.02 0.00 -1.15 0.00 0.00 33.47 31.67 3gvk s TRP 617 CO 0.00 0.02 -0.17 -2.00 0.02 0.00 0.00 176.95 174.82 3gvk s GLU 618 N -2.20 2.66 0.08 4.98 2.12 0.24 -4.97 118.70 121.62 3gvk s GLU 618 Ca 0.00 -0.75 0.05 0.00 0.36 0.00 0.00 54.97 54.63 3gvk s GLU 618 Cb -0.07 -2.36 -0.03 0.00 0.26 0.00 0.00 34.13 31.93 3gvk s GLU 618 CO 0.01 0.49 -0.13 -1.12 -0.54 0.00 0.00 175.26 173.97 3gvk s SER 619 N -0.39 1.60 0.00 -1.70 0.01 -1.26 -0.71 113.70 111.26 3gvk s SER 619 Ca 0.04 -0.66 -0.11 0.00 1.31 0.00 0.00 55.95 56.52 3gvk s SER 619 Cb -0.12 -0.04 0.01 0.00 0.21 0.00 0.00 66.02 66.08 3gvk s SER 619 CO 0.02 -0.12 0.23 -1.48 0.41 0.00 0.00 173.24 172.30 3gvk s LEU 620 N -1.91 1.19 -0.16 2.44 0.05 0.20 -5.00 118.68 115.48 3gvk s LEU 620 Ca -0.00 -0.11 -0.06 0.00 0.05 0.00 0.00 54.13 54.01 3gvk s LEU 620 Cb -0.08 1.01 -0.04 0.00 -2.05 0.00 0.00 46.19 45.02 3gvk s LEU 620 CO 0.02 -0.45 0.05 -0.60 -0.55 0.00 0.00 176.35 174.82 3gvk s ARG 621 N -1.61 3.76 0.28 1.48 6.06 -1.26 0.12 118.95 127.78 3gvk s ARG 621 Ca -0.12 -0.36 -0.29 0.00 -2.50 0.00 0.00 55.73 52.46 3gvk s ARG 621 Cb -0.05 -3.12 -0.10 0.00 0.06 0.00 0.00 34.95 31.74 3gvk s ARG 621 CO 0.02 0.37 1.28 -0.06 -2.50 0.00 0.00 175.30 174.40 3gvk s PHE 622 N 0.08 3.21 0.68 5.12 0.08 -0.70 -4.77 117.98 121.67 3gvk s PHE 622 Ca 0.05 1.39 -0.15 0.00 0.12 0.00 0.00 56.93 58.34 3gvk s PHE 622 Cb -0.12 -3.59 0.01 0.00 -0.57 0.00 0.00 43.02 38.75 3gvk s PHE 622 CO 0.01 -1.66 1.13 -1.25 -0.10 0.00 0.00 175.22 173.35 3gvk s PRO 623 N -1.15 2.61 -0.72 0.24 0.04 -1.26 -4.19 135.00 130.57 3gvk s PRO 623 Ca 0.51 1.48 -0.03 0.00 0.04 0.00 0.00 61.00 62.99 3gvk s PRO 623 Cb -0.37 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.25 3gvk s PRO 623 CO 0.46 -1.41 0.44 0.72 0.04 0.00 0.00 177.00 177.24 3gvk n HIS 624 N -2.52 -1.18 -3.80 0.56 8.25 -1.26 -4.33 115.22 110.93 3gvk n HIS 624 Ca 0.11 0.37 -0.33 0.00 -0.26 0.00 0.00 57.72 57.62 3gvk n HIS 624 Cb 0.52 -2.85 0.03 0.00 1.12 0.00 0.00 29.99 28.80 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 -0.52 -4.00 -4.69 0.41 3.02 -1.26 -3.01 115.26 105.20 3gvk n ASN 625 Ca -0.03 -1.06 -0.42 0.00 -0.03 0.00 0.00 54.58 53.04 3gvk n ASN 625 Cb 0.55 -3.04 -0.03 0.00 -0.61 0.00 0.00 39.78 36.65 3gvk n ASN 625 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3gvk s VAL 626 N -3.59 2.71 0.08 2.41 1.01 -1.26 -4.57 120.40 117.19 3gvk s VAL 626 Ca 0.37 0.25 -0.07 0.00 0.00 0.00 0.00 61.98 62.53 3gvk s VAL 626 Cb -0.15 -3.16 -0.01 0.00 0.00 0.00 0.00 36.38 33.06 3gvk s VAL 626 CO 0.89 0.00 0.16 -1.38 0.00 0.00 0.00 175.10 174.77 3gvk s HIS 627 N 2.48 0.21 0.00 5.22 -3.43 -1.26 -1.23 115.29 117.28 3gvk s HIS 627 Ca 0.77 -0.66 0.00 0.00 -0.80 0.00 0.00 55.06 54.37 3gvk s HIS 627 Cb -0.44 -0.11 0.00 0.00 -1.43 0.00 0.00 32.58 30.60 3gvk s HIS 627 CO 0.34 -0.52 0.00 0.72 -2.00 0.00 0.00 174.74 173.28 3gvk n HIS 628 N -0.04 0.00 -4.99 0.38 8.25 0.22 -4.86 115.22 114.19 3gvk n HIS 628 Ca -0.15 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.02 3gvk n HIS 628 Cb 0.62 -0.32 -0.15 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 -2.41 2.03 0.63 1.59 -1.32 -1.26 -4.81 115.64 110.09 3gvk s THR 629 Ca 0.00 -1.26 -0.12 0.00 -1.21 0.00 0.00 61.69 59.10 3gvk s THR 629 Cb 0.00 -1.72 -0.03 0.00 -1.51 0.00 0.00 72.50 69.24 3gvk s THR 629 CO 0.00 0.41 1.03 0.42 -2.21 0.00 0.00 174.62 174.28 3gvk s THR 630 N -0.73 4.49 -0.59 5.08 -4.23 -1.26 -4.38 115.64 114.02 3gvk s THR 630 Ca 0.11 0.85 0.06 0.00 -1.18 0.00 0.00 61.69 61.53 3gvk s THR 630 Cb -0.10 -3.72 0.24 0.00 1.34 0.00 0.00 72.50 70.26 3gvk s THR 630 CO 0.01 -1.02 0.68 0.18 -0.54 0.00 0.00 174.62 173.93 3gvk n LEU 631 N -2.72 2.92 -4.75 4.79 4.77 -1.26 -4.56 117.00 116.19 3gvk n LEU 631 Ca 0.07 -5.26 -0.36 0.00 -0.03 0.00 0.00 56.01 50.43 3gvk n LEU 631 Cb 0.54 -0.39 0.04 0.00 -2.33 0.00 0.00 43.42 41.28 3gvk n LEU 631 CO 0.56 2.04 0.84 -2.16 -1.33 0.00 0.00 177.39 177.34 3gvk s PRO 632 N -2.11 2.89 0.17 3.23 0.04 -1.23 -4.67 135.00 133.31 3gvk s PRO 632 Ca 0.38 1.81 -0.18 0.00 0.04 0.00 0.00 61.00 63.06 3gvk s PRO 632 Cb 0.14 -1.92 0.04 0.00 0.04 0.00 0.00 34.50 32.80 3gvk s PRO 632 CO -0.04 -1.27 0.49 -0.59 0.04 0.00 0.00 177.00 175.62 3gvk s PHE 633 N -1.64 -0.20 0.14 0.56 -0.12 -1.26 -1.34 117.98 114.12 3gvk s PHE 633 Ca 0.77 -0.12 0.03 0.00 -0.05 0.00 0.00 56.93 57.55 3gvk s PHE 633 Cb -0.30 0.36 -0.04 0.00 -0.63 0.00 0.00 43.02 42.40 3gvk s PHE 633 CO 0.34 -0.83 -0.05 0.00 -0.05 0.00 0.00 175.22 174.64 3gvk s ALA 634 N -3.83 1.26 -0.24 1.99 0.00 -0.78 -4.83 121.76 115.32 3gvk s ALA 634 Ca 0.06 -1.48 -0.08 0.00 0.00 0.00 0.00 51.96 50.46 3gvk s ALA 634 Cb 0.00 0.27 -0.04 0.00 0.00 0.00 0.00 23.12 23.36 3gvk s ALA 634 CO -0.07 -0.23 0.09 0.21 0.00 0.00 0.00 175.76 175.76 3gvk s LYS 635 N -3.84 3.79 -0.20 0.00 2.20 -1.26 -0.17 119.74 120.26 3gvk s LYS 635 Ca 0.18 -0.41 0.01 0.00 -0.36 0.00 0.00 55.97 55.38 3gvk s LYS 635 Cb 0.05 -3.37 0.04 0.00 -1.51 0.00 0.00 37.83 33.04 3gvk s LYS 635 CO 0.00 -0.08 -0.09 0.08 -0.36 0.00 0.00 175.35 174.90 3gvk s VAL 636 N 1.35 1.56 0.00 4.02 1.01 -0.24 -5.00 120.40 123.11 3gvk s VAL 636 Ca 0.06 -0.99 0.00 0.00 0.00 0.00 0.00 61.98 61.05 3gvk s VAL 636 Cb -0.15 -1.67 0.00 0.00 0.00 0.00 0.00 36.38 34.56 3gvk s VAL 636 CO 0.05 0.13 0.00 0.61 0.00 0.00 0.00 175.10 175.89 3gvk n GLY 637 N 4.71 3.26 0.37 4.51 0.00 -1.26 -2.17 105.19 114.60 3gvk n GLY 637 Ca -0.14 -0.18 0.14 0.00 0.00 0.00 0.00 46.02 45.84 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 4.93 1.14 -4.52 1.61 8.00 -1.26 -4.88 116.55 121.56 3gvk n ASP 638 Ca 0.00 -1.42 -0.34 0.00 0.71 0.00 0.00 54.79 53.74 3gvk n ASP 638 Cb 0.00 -0.02 -0.12 0.00 -0.02 0.00 0.00 41.12 40.97 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 -1.91 4.73 -0.02 -2.24 1.01 -0.92 -0.89 116.67 116.43 3gvk s ASP 639 Ca 0.39 -0.10 -0.30 0.00 0.71 0.00 0.00 52.55 53.25 3gvk s ASP 639 Cb 0.20 -1.59 -0.03 0.00 1.01 0.00 0.00 42.92 42.51 3gvk s ASP 639 CO 0.32 0.23 1.03 -0.76 0.21 0.00 0.00 175.17 176.21 3gvk s LEU 640 N -0.03 4.34 -0.31 1.23 1.43 0.13 -1.08 118.68 124.39 3gvk s LEU 640 Ca 0.01 1.70 -0.04 0.00 -1.03 0.00 0.00 54.13 54.76 3gvk s LEU 640 Cb -0.13 -3.57 0.04 0.00 0.03 0.00 0.00 46.19 42.56 3gvk s LEU 640 CO 0.03 -0.35 0.05 -0.63 0.23 0.00 0.00 176.35 175.68 3gvk s ILE 641 N 1.29 3.45 0.02 -0.59 1.01 0.76 -1.25 121.20 125.90 3gvk s ILE 641 Ca 0.52 -1.14 0.05 0.00 0.00 0.00 0.00 60.65 60.09 3gvk s ILE 641 Cb -0.22 -2.92 -0.03 0.00 0.01 0.00 0.00 42.46 39.30 3gvk s ILE 641 CO 0.26 -0.08 -0.13 -0.04 0.00 0.00 0.00 174.94 174.95 3gvk s MET 642 N 1.36 2.28 0.03 2.79 -1.94 -0.41 -1.87 119.30 121.54 3gvk s MET 642 Ca -0.02 -0.87 0.08 0.00 -1.71 0.00 0.00 55.69 53.17 3gvk s MET 642 Cb -0.19 -2.32 -0.03 0.00 2.01 0.00 0.00 34.83 34.30 3gvk s MET 642 CO 0.01 0.57 -0.24 -0.06 -0.01 0.00 0.00 175.02 175.29 3gvk s PHE 643 N -0.95 2.08 0.05 -0.03 0.08 -0.45 -1.31 117.98 117.45 3gvk s PHE 643 Ca 0.16 -0.39 -0.13 0.00 0.12 0.00 0.00 56.93 56.68 3gvk s PHE 643 Cb -0.11 -1.26 0.02 0.00 -0.57 0.00 0.00 43.02 41.09 3gvk s PHE 643 CO 0.06 0.08 0.28 0.20 -0.10 0.00 0.00 175.22 175.75 3gvk s GLY 644 N -1.07 -0.09 -0.03 4.36 0.00 0.04 -3.51 107.32 107.01 3gvk s GLY 644 Ca 0.10 -0.07 -0.00 0.00 0.00 0.00 0.00 44.72 44.74 3gvk s GLY 644 CO 0.01 -0.28 0.01 -0.56 0.00 0.00 0.00 173.10 172.28 3gvk s SER 645 N -2.13 0.62 0.54 1.64 0.01 -1.26 -0.05 113.70 113.07 3gvk s SER 645 Ca -0.04 -0.01 -0.21 0.00 1.31 0.00 0.00 55.95 57.00 3gvk s SER 645 Cb -0.01 -0.22 -0.05 0.00 0.21 0.00 0.00 66.02 65.96 3gvk s SER 645 CO -0.04 -0.14 1.23 -1.83 0.41 0.00 0.00 173.24 172.87 3gvk s GLU 646 N 1.30 3.26 0.19 12.44 -1.05 -0.95 -4.54 118.70 129.34 3gvk s GLU 646 Ca -0.06 1.90 0.12 0.00 -0.15 0.00 0.00 54.97 56.78 3gvk s GLU 646 Cb -0.13 -2.15 -0.07 0.00 -0.44 0.00 0.00 34.13 31.34 3gvk s GLU 646 CO -0.02 -1.00 1.31 0.00 0.95 0.00 0.00 175.26 176.50 3gvk h ARG 647 N 1.38 0.00 -3.87 -4.83 2.47 -1.87 -3.42 114.38 104.23 3gvk h ARG 647 Ca -0.50 0.00 -0.11 0.00 -1.26 0.00 0.00 59.98 58.11 3gvk h ARG 647 Cb 1.28 0.00 -0.15 0.00 -1.65 0.00 0.00 29.97 29.45 3gvk h ARG 647 CO 0.57 0.69 -0.48 0.00 0.56 0.00 0.00 179.97 181.31 3gvk s ALA 648 N -2.84 -0.04 0.34 0.04 0.00 -1.26 -4.63 121.76 113.36 3gvk s ALA 648 Ca 0.02 -0.69 -0.29 0.00 0.00 0.00 0.00 51.96 51.00 3gvk s ALA 648 Cb 0.09 0.36 -0.12 0.00 0.00 0.00 0.00 23.12 23.45 3gvk s ALA 648 CO 0.78 -0.41 1.48 -1.91 0.00 0.00 0.00 175.76 175.70 3gvk n GLU 649 N 0.27 2.55 -2.42 0.00 2.13 -1.26 -3.20 120.64 118.71 3gvk n GLU 649 Ca -0.16 0.90 -0.12 0.00 0.66 0.00 0.00 57.16 58.44 3gvk n GLU 649 Cb 0.61 -2.62 0.01 0.00 0.27 0.00 0.00 31.44 29.70 3gvk n GLU 649 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 3gvk n ASN 650 N 1.16 -3.94 -0.00 4.31 3.02 -1.26 -4.74 115.26 113.80 3gvk n ASN 650 Ca 0.05 -0.08 0.07 0.00 -0.03 0.00 0.00 54.58 54.59 3gvk n ASN 650 Cb 0.37 -3.02 -0.09 0.00 -0.61 0.00 0.00 39.78 36.43 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 -2.34 1.68 -0.09 3.52 1.02 -1.20 -4.73 120.64 118.51 3gvk n GLU 651 Ca -0.11 -0.04 -0.09 0.00 -0.02 0.00 0.00 57.16 56.91 3gvk n GLU 651 Cb 0.59 -1.24 -0.01 0.00 -0.02 0.00 0.00 31.44 30.76 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 0.39 -4.15 -0.32 2.91 -1.91 -3.44 115.95 109.44 3gvk h TRP 652 Ca 0.00 0.01 -0.53 0.00 1.13 0.00 0.00 58.89 59.50 3gvk h TRP 652 Cb 0.44 -0.13 0.14 0.00 -0.51 0.00 0.00 29.16 29.10 3gvk h TRP 652 CO 0.00 0.24 0.43 -1.21 -1.03 0.00 0.00 178.44 176.87 3gvk s GLU 653 N -6.17 2.50 0.27 2.65 8.01 -1.26 -4.60 118.70 120.10 3gvk s GLU 653 Ca -0.13 1.78 -0.31 0.00 0.01 0.00 0.00 54.97 56.32 3gvk s GLU 653 Cb 0.10 -1.87 -0.12 0.00 -4.31 0.00 0.00 34.13 27.92 3gvk s GLU 653 CO 0.71 -1.56 1.57 0.00 0.01 0.00 0.00 175.26 175.98 3gvk n ALA 654 N -2.26 2.23 -0.52 5.21 0.00 -1.16 -2.14 120.51 121.86 3gvk n ALA 654 Ca 0.13 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.96 3gvk n ALA 654 Cb 0.50 -2.42 0.00 0.00 0.00 0.00 0.00 19.45 17.52 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 2.37 1.70 3.66 0.00 0.00 0.29 -5.00 105.19 108.21 3gvk n GLY 655 Ca 0.10 0.00 -0.43 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 -3.28 3.65 0.64 4.61 0.00 -0.91 -4.93 121.76 121.54 3gvk s ALA 656 Ca 0.00 0.56 -0.15 0.00 0.00 0.00 0.00 51.96 52.37 3gvk s ALA 656 Cb 0.00 -3.65 -0.01 0.00 0.00 0.00 0.00 23.12 19.46 3gvk s ALA 656 CO 0.00 -1.23 1.09 -2.14 0.00 0.00 0.00 175.76 173.48 3gvk s PRO 657 N 3.63 2.99 0.37 0.00 0.02 -1.26 -4.81 135.00 135.94 3gvk s PRO 657 Ca 0.59 1.29 -0.27 0.00 0.02 0.00 0.00 61.00 62.63 3gvk s PRO 657 Cb -0.24 -1.98 -0.11 0.00 0.02 0.00 0.00 34.50 32.18 3gvk s PRO 657 CO 0.18 -1.08 1.26 -0.25 -0.33 0.00 0.00 177.00 176.78 3gvk n ASP 658 N -2.34 2.58 -3.72 2.53 8.00 -1.26 -4.72 116.55 117.61 3gvk n ASP 658 Ca 0.10 1.17 -0.29 0.00 0.71 0.00 0.00 54.79 56.47 3gvk n ASP 658 Cb 0.52 -1.48 -0.13 0.00 -0.02 0.00 0.00 41.12 40.02 3gvk n ASP 658 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3gvk s ASP 659 N -0.41 3.63 0.51 -2.24 -1.08 -1.26 -5.10 116.67 110.72 3gvk s ASP 659 Ca 0.58 -2.90 0.02 0.00 -0.52 0.00 0.00 52.55 49.72 3gvk s ASP 659 Cb -0.55 -1.11 -0.01 0.00 -1.46 0.00 0.00 42.92 39.79 3gvk s ASP 659 CO 0.61 -0.22 0.04 -0.13 0.52 0.00 0.00 175.17 175.98 3gvk s ARG 660 N -0.02 2.19 -0.55 4.34 1.81 -1.26 -4.67 118.95 120.79 3gvk s ARG 660 Ca 0.21 -2.34 0.00 0.00 -1.72 0.00 0.00 55.73 51.87 3gvk s ARG 660 Cb -0.18 -1.59 0.00 0.00 -0.45 0.00 0.00 34.95 32.73 3gvk s ARG 660 CO -0.05 -0.36 0.00 0.66 -0.68 0.00 0.00 175.30 174.87 3gvk n TYR 661 N -1.29 0.00 -3.87 -0.53 4.01 -1.25 -4.98 117.16 109.24 3gvk n TYR 661 Ca -0.17 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.46 3gvk n TYR 661 Cb 0.67 -1.81 -0.12 0.00 -0.31 0.00 0.00 39.34 37.77 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 -2.04 0.27 0.36 -0.72 -2.85 -1.25 -4.87 119.74 108.63 3gvk s LYS 662 Ca 0.00 -0.17 -0.28 0.00 -1.00 0.00 0.00 55.97 54.51 3gvk s LYS 662 Cb 0.00 0.11 -0.11 0.00 -2.06 0.00 0.00 37.83 35.77 3gvk s LYS 662 CO 0.00 -0.05 1.52 0.00 0.10 0.00 0.00 175.35 176.91 3gvk n ALA 663 N 2.26 2.44 -3.36 0.59 0.00 -1.22 -4.44 120.51 116.79 3gvk n ALA 663 Ca -0.18 0.35 -0.12 0.00 0.00 0.00 0.00 53.44 53.49 3gvk n ALA 663 Cb 0.57 -2.43 -0.00 0.00 0.00 0.00 0.00 19.45 17.59 3gvk n ALA 663 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3gvk s SER 664 N 0.01 0.54 -0.67 0.00 1.04 -0.85 -5.02 113.70 108.74 3gvk s SER 664 Ca 0.55 -1.37 0.05 0.00 0.48 0.00 0.00 55.95 55.66 3gvk s SER 664 Cb -0.48 0.78 0.17 0.00 0.10 0.00 0.00 66.02 66.59 3gvk s SER 664 CO 0.61 -1.54 0.47 -0.31 0.98 0.00 0.00 173.24 173.44 3gvk s TYR 665 N -2.50 3.38 0.37 5.02 2.02 -1.26 -1.36 117.35 123.02 3gvk s TYR 665 Ca 0.23 -3.26 -0.28 0.00 -0.37 0.00 0.00 57.07 53.39 3gvk s TYR 665 Cb -0.03 -2.59 -0.11 0.00 -0.40 0.00 0.00 41.96 38.83 3gvk s TYR 665 CO 0.17 -0.58 1.51 -1.25 -1.57 0.00 0.00 175.55 173.83 3gvk s PRO 666 N -1.28 4.09 0.05 -1.71 0.04 -1.13 -4.60 135.00 130.47 3gvk s PRO 666 Ca 0.25 2.60 -0.24 0.00 0.04 0.00 0.00 61.00 63.65 3gvk s PRO 666 Cb -0.05 -2.97 -0.06 0.00 0.04 0.00 0.00 34.50 31.46 3gvk s PRO 666 CO -0.16 -0.57 0.73 1.03 0.04 0.00 0.00 177.00 178.07 3gvk s ARG 667 N -1.94 4.46 -0.12 4.56 0.52 -1.26 -0.87 118.95 124.30 3gvk s ARG 667 Ca 0.54 1.00 -0.02 0.00 -0.52 0.00 0.00 55.73 56.73 3gvk s ARG 667 Cb -0.47 -3.34 -0.03 0.00 0.52 0.00 0.00 34.95 31.63 3gvk s ARG 667 CO 0.62 0.35 -0.03 0.99 0.02 0.00 0.00 175.30 177.25 3gvk s THR 668 N -0.24 4.01 0.20 0.02 2.01 -0.31 -2.24 115.64 119.08 3gvk s THR 668 Ca 0.36 -0.34 0.09 0.00 0.31 0.00 0.00 61.69 62.12 3gvk s THR 668 Cb -0.20 -2.72 -0.04 0.00 0.01 0.00 0.00 72.50 69.55 3gvk s THR 668 CO 0.22 0.55 -0.18 -0.36 -0.69 0.00 0.00 174.62 174.15 3gvk s PHE 669 N -0.25 1.94 0.17 4.92 0.08 0.93 -1.59 117.98 124.18 3gvk s PHE 669 Ca 0.05 -0.45 0.05 0.00 0.12 0.00 0.00 56.93 56.69 3gvk s PHE 669 Cb -0.13 -0.92 -0.05 0.00 -0.57 0.00 0.00 43.02 41.35 3gvk s PHE 669 CO 0.02 0.43 -0.09 1.52 -0.10 0.00 0.00 175.22 177.00 3gvk s TYR 670 N -2.30 1.41 -0.00 0.36 -0.85 -0.53 -0.78 117.35 114.66 3gvk s TYR 670 Ca 0.20 -0.74 -0.16 0.00 -0.52 0.00 0.00 57.07 55.85 3gvk s TYR 670 Cb -0.05 -0.72 0.03 0.00 0.38 0.00 0.00 41.96 41.60 3gvk s TYR 670 CO 0.09 0.12 0.33 0.00 -1.52 0.00 0.00 175.55 174.57 3gvk s ALA 671 N -3.26 -0.83 -0.10 9.51 0.00 -0.43 -0.68 121.76 125.97 3gvk s ALA 671 Ca 0.20 0.31 -0.03 0.00 0.00 0.00 0.00 51.96 52.44 3gvk s ALA 671 Cb 0.02 0.14 -0.03 0.00 0.00 0.00 0.00 23.12 23.25 3gvk s ALA 671 CO 0.03 -0.31 0.03 1.03 0.00 0.00 0.00 175.76 176.54 3gvk s ARG 672 N -1.63 3.10 -0.15 0.00 0.52 -1.26 -1.29 118.95 118.24 3gvk s ARG 672 Ca -0.11 -0.35 -0.01 0.00 -0.52 0.00 0.00 55.73 54.74 3gvk s ARG 672 Cb -0.04 -2.88 0.04 0.00 0.52 0.00 0.00 34.95 32.59 3gvk s ARG 672 CO 0.03 0.70 -0.03 -1.17 0.02 0.00 0.00 175.30 174.85 3gvk s LEU 673 N -0.87 1.31 -0.11 2.53 0.20 -0.38 -4.69 118.68 116.66 3gvk s LEU 673 Ca 0.13 -0.53 -0.29 0.00 0.69 0.00 0.00 54.13 54.12 3gvk s LEU 673 Cb -0.12 -0.78 -0.03 0.00 -0.43 0.00 0.00 46.19 44.84 3gvk s LEU 673 CO 0.03 -0.19 1.38 0.21 -0.29 0.00 0.00 176.35 177.48 3gvk s ASN 674 N 1.73 6.87 0.44 3.68 3.84 -1.26 -0.69 114.94 129.54 3gvk s ASN 674 Ca 0.02 1.88 0.24 0.00 0.21 0.00 0.00 52.86 55.21 3gvk s ASN 674 Cb -0.15 -2.54 0.85 0.00 -0.55 0.00 0.00 41.25 38.86 3gvk s ASN 674 CO -0.07 -0.79 1.79 -0.37 -2.79 0.00 0.00 177.10 174.87 3gvk h VAL 675 N 5.44 0.50 -0.25 -5.21 -1.51 -1.40 -2.35 116.25 111.47 3gvk h VAL 675 Ca -0.31 -1.16 -0.14 0.00 -1.23 0.00 0.00 66.70 63.86 3gvk h VAL 675 Cb 1.13 1.82 -0.00 0.00 -2.13 0.00 0.00 31.29 32.11 3gvk h VAL 675 CO 0.95 0.21 -0.38 0.78 -1.23 0.00 0.00 177.57 177.91 3gvk h ASN 676 N 0.00 0.77 0.80 4.19 -0.26 -1.92 -3.23 115.58 115.94 3gvk h ASN 676 Ca -0.00 -0.51 -0.13 0.00 -0.56 0.00 0.00 56.30 55.10 3gvk h ASN 676 Cb 0.80 -0.22 -0.02 0.00 -1.06 0.00 0.00 38.32 37.82 3gvk h ASN 676 CO 0.03 1.14 -0.61 0.78 -1.06 0.00 0.00 177.43 177.70 3gvk h ASN 677 N 0.43 0.00 -7.00 5.81 2.35 -1.92 -3.47 115.58 111.78 3gvk h ASN 677 Ca 0.02 0.00 -0.61 0.00 -0.55 0.00 0.00 56.30 55.17 3gvk h ASN 677 Cb 0.97 0.00 -0.14 0.00 0.05 0.00 0.00 38.32 39.20 3gvk h ASN 677 CO 0.09 0.61 -0.98 1.87 -1.65 0.00 0.00 177.43 177.37 3gvk n TRP 678 N -3.62 -1.33 -3.67 1.19 -0.00 -0.89 -4.96 117.44 104.17 3gvk n TRP 678 Ca -0.00 0.45 -0.14 0.00 -0.00 0.00 0.00 57.50 57.80 3gvk n TRP 678 Cb 0.65 -2.86 -0.14 0.00 -0.00 0.00 0.00 31.31 28.97 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 -4.11 0.42 0.00 5.87 2.47 -1.26 -5.03 114.94 113.30 3gvk s ASN 679 Ca 0.16 0.53 0.24 0.00 0.42 0.00 0.00 52.86 54.20 3gvk s ASN 679 Cb -0.09 0.58 0.47 0.00 -1.45 0.00 0.00 41.25 40.77 3gvk s ASN 679 CO 0.98 -0.24 1.42 0.00 -3.72 0.00 0.00 177.10 175.55 3gvk n ALA 680 N 5.29 2.47 -0.30 1.71 0.00 -1.26 -4.51 120.51 123.91 3gvk n ALA 680 Ca -0.07 -0.75 0.07 0.00 0.00 0.00 0.00 53.44 52.69 3gvk n ALA 680 Cb 0.50 -0.92 0.23 0.00 0.00 0.00 0.00 19.45 19.26 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 3.96 0.54 -0.44 0.00 3.32 -1.96 -2.12 116.42 119.71 3gvk h ASP 681 Ca 0.00 0.09 0.00 0.00 0.02 0.00 0.00 57.03 57.14 3gvk h ASP 681 Cb 0.86 0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.41 3gvk h ASP 681 CO 0.00 0.23 0.00 -0.90 -1.72 0.00 0.00 179.24 176.85 3gvk n ASP 682 N -4.86 4.91 -4.64 6.45 5.68 -1.26 -4.89 116.55 117.93 3gvk n ASP 682 Ca 0.17 -2.95 -0.44 0.00 -0.50 0.00 0.00 54.79 51.08 3gvk n ASP 682 Cb 0.44 -0.62 -0.01 0.00 -1.14 0.00 0.00 41.12 39.79 3gvk n ASP 682 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3gvk n ILE 683 N 0.16 1.92 -3.87 2.12 3.06 -0.80 -4.96 119.36 116.98 3gvk n ILE 683 Ca 0.25 -0.48 -0.35 0.00 -2.50 0.00 0.00 62.75 59.67 3gvk n ILE 683 Cb 1.05 -1.26 -0.13 0.00 0.54 0.00 0.00 39.64 39.85 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 -1.60 2.11 -0.27 9.51 2.02 -1.26 -5.07 118.70 124.14 3gvk s GLU 684 Ca 0.58 -1.58 -0.28 0.00 0.02 0.00 0.00 54.97 53.71 3gvk s GLU 684 Cb -0.65 -3.34 0.01 0.00 0.10 0.00 0.00 34.13 30.25 3gvk s GLU 684 CO 0.60 -0.85 1.00 -1.58 0.02 0.00 0.00 175.26 174.45 3gvk s TRP 685 N 1.15 3.27 -0.29 1.61 0.52 -1.26 -4.42 118.94 119.51 3gvk s TRP 685 Ca 0.03 1.29 -0.06 0.00 0.02 0.00 0.00 56.10 57.37 3gvk s TRP 685 Cb -0.21 -3.36 0.01 0.00 -1.15 0.00 0.00 33.47 28.76 3gvk s TRP 685 CO -0.03 -0.56 0.06 0.08 0.02 0.00 0.00 176.95 176.51 3gvk s VAL 686 N 3.27 3.75 -0.34 4.03 1.01 0.14 -1.16 120.40 131.10 3gvk s VAL 686 Ca 0.42 -0.79 -0.29 0.00 0.00 0.00 0.00 61.98 61.33 3gvk s VAL 686 Cb -0.14 -2.95 -0.00 0.00 0.00 0.00 0.00 36.38 33.29 3gvk s VAL 686 CO 0.10 0.08 1.48 0.21 0.00 0.00 0.00 175.10 176.97 3gvk s ASN 687 N 1.46 6.35 -0.01 3.32 2.47 0.10 -1.45 114.94 127.18 3gvk s ASN 687 Ca 0.02 1.12 0.09 0.00 0.42 0.00 0.00 52.86 54.51 3gvk s ASN 687 Cb -0.17 -2.54 -0.14 0.00 -1.45 0.00 0.00 41.25 36.95 3gvk s ASN 687 CO 0.01 -1.36 0.22 2.30 -3.72 0.00 0.00 177.10 174.55 3gvk n ILE 688 N 6.82 0.00 -3.53 -5.21 -5.35 -0.62 -1.79 119.36 109.68 3gvk n ILE 688 Ca 0.17 -0.22 -0.17 0.00 -0.27 0.00 0.00 62.75 62.26 3gvk n ILE 688 Cb 0.47 0.36 -0.06 0.00 -1.74 0.00 0.00 39.64 38.67 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 -2.57 0.01 -0.05 7.28 -1.32 -1.24 -4.97 115.64 112.77 3gvk s THR 689 Ca -0.03 -0.04 0.04 0.00 -1.21 0.00 0.00 61.69 60.46 3gvk s THR 689 Cb 0.06 -0.97 -0.02 0.00 -1.51 0.00 0.00 72.50 70.05 3gvk s THR 689 CO 0.39 -0.02 -0.18 -1.81 -2.21 0.00 0.00 174.62 170.79 3gvk s ASP 690 N -1.34 3.73 0.41 8.08 1.11 -1.26 -1.16 116.67 126.24 3gvk s ASP 690 Ca -0.10 -0.29 0.05 0.00 0.18 0.00 0.00 52.55 52.39 3gvk s ASP 690 Cb -0.00 -0.79 0.05 0.00 1.07 0.00 0.00 42.92 43.25 3gvk s ASP 690 CO 0.08 0.32 0.45 0.00 1.18 0.00 0.00 175.17 177.19 3gvk n GLN 691 N 2.48 0.80 -4.94 8.23 3.00 -0.04 -4.96 117.38 121.94 3gvk n GLN 691 Ca -0.17 -2.39 -0.33 0.00 -0.01 0.00 0.00 57.00 54.10 3gvk n GLN 691 Cb 0.52 0.04 -0.15 0.00 0.00 0.00 0.00 30.24 30.65 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 -1.81 2.75 -0.22 5.09 1.01 -1.26 -2.83 121.20 123.94 3gvk s ILE 692 Ca 0.34 -0.79 -0.08 0.00 0.00 0.00 0.00 60.65 60.12 3gvk s ILE 692 Cb -0.03 -2.10 -0.04 0.00 0.01 0.00 0.00 42.46 40.30 3gvk s ILE 692 CO 0.21 0.55 0.09 -0.47 0.00 0.00 0.00 174.94 175.33 3gvk s TYR 693 N 0.04 3.21 -0.03 3.97 5.04 -0.46 -1.60 117.35 127.52 3gvk s TYR 693 Ca -0.06 -0.04 -0.25 0.00 -2.44 0.00 0.00 57.07 54.28 3gvk s TYR 693 Cb -0.15 -2.18 -0.20 0.00 0.35 0.00 0.00 41.96 39.78 3gvk s TYR 693 CO 0.05 -0.04 1.17 0.37 -1.34 0.00 0.00 175.55 175.76 3gvk h GLN 694 N 7.42 0.12 0.00 4.97 -0.00 -1.86 -2.26 115.11 123.51 3gvk h GLN 694 Ca -0.37 -0.09 0.00 0.00 -0.00 0.00 0.00 58.65 58.19 3gvk h GLN 694 Cb 1.17 0.02 0.00 0.00 0.00 0.00 0.00 27.48 28.67 3gvk h GLN 694 CO 0.64 0.71 0.00 0.41 0.00 0.00 0.00 178.83 180.59 3gvk n GLY 695 N 0.58 0.60 0.25 2.39 0.00 -1.26 -3.41 105.19 104.34 3gvk n GLY 695 Ca -0.08 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.07 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 -2.74 -0.02 0.00 -1.92 -3.34 103.07 95.05 3gvk h GLY 696 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 47.05 3gvk h GLY 696 CO 0.00 0.00 -0.67 -0.26 0.00 0.00 0.00 176.54 175.61 3gvk s ILE 697 N -3.68 0.72 0.29 2.60 -4.36 -1.26 -4.67 121.20 110.84 3gvk s ILE 697 Ca 0.01 -1.98 0.03 0.00 -0.26 0.00 0.00 60.65 58.45 3gvk s ILE 697 Cb 0.10 -2.05 0.09 0.00 1.25 0.00 0.00 42.46 41.85 3gvk s ILE 697 CO 0.59 -0.54 1.76 1.62 0.24 0.00 0.00 174.94 178.61 3gvk h VAL 698 N 2.73 1.25 -4.08 8.37 3.04 -1.98 -3.40 116.25 122.18 3gvk h VAL 698 Ca -0.37 -1.16 -0.51 0.00 -1.01 0.00 0.00 66.70 63.65 3gvk h VAL 698 Cb 1.20 1.26 0.08 0.00 -2.01 0.00 0.00 31.29 31.82 3gvk h VAL 698 CO 0.63 0.37 0.46 0.20 -1.01 0.00 0.00 177.57 178.22 3gvk s ASN 699 N -6.79 5.62 -0.04 3.17 -0.87 -1.26 -4.82 114.94 109.95 3gvk s ASN 699 Ca -0.07 2.27 0.03 0.00 -1.57 0.00 0.00 52.86 53.52 3gvk s ASN 699 Cb 0.14 -2.59 0.00 0.00 -0.02 0.00 0.00 41.25 38.78 3gvk s ASN 699 CO 0.78 -1.29 -0.13 -0.55 -2.57 0.00 0.00 177.10 173.35 3gvk s SER 700 N -1.64 1.66 0.00 -1.22 0.15 -1.26 -4.88 113.70 106.50 3gvk s SER 700 Ca 0.73 -0.27 0.24 0.00 0.70 0.00 0.00 55.95 57.35 3gvk s SER 700 Cb -0.27 -0.52 0.73 0.00 -1.71 0.00 0.00 66.02 64.26 3gvk s SER 700 CO 0.30 0.09 1.56 0.61 1.20 0.00 0.00 173.24 177.00 3gvk n GLY 701 N 3.35 0.47 3.73 9.45 0.00 -1.26 -4.94 105.19 115.99 3gvk n GLY 701 Ca -0.19 -0.51 -0.42 0.00 0.00 0.00 0.00 46.02 44.90 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 -1.85 2.83 0.00 1.61 1.01 -1.26 -3.91 120.40 118.83 3gvk s VAL 702 Ca 0.35 0.66 0.00 0.00 0.00 0.00 0.00 61.98 62.98 3gvk s VAL 702 Cb 0.20 -3.42 0.00 0.00 0.00 0.00 0.00 36.38 33.16 3gvk s VAL 702 CO 0.30 0.08 0.00 0.61 0.00 0.00 0.00 175.10 176.09 3gvk n GLY 703 N 2.76 0.49 3.85 4.51 0.00 0.18 -4.70 105.19 112.28 3gvk n GLY 703 Ca 0.09 -0.71 -0.25 0.00 0.00 0.00 0.00 46.02 45.14 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 -0.98 -0.94 1.61 0.24 -1.26 -1.82 118.33 115.17 3gvk n VAL 704 Ca 0.00 -0.37 0.00 0.00 -2.04 0.00 0.00 64.34 61.93 3gvk n VAL 704 Cb 0.00 -0.92 0.00 0.00 -1.47 0.00 0.00 33.84 31.45 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 -2.05 1.77 3.36 7.63 0.00 -1.26 -1.30 105.19 113.34 3gvk n GLY 705 Ca -0.20 -1.86 -0.14 0.00 0.00 0.00 0.00 46.02 43.83 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 -0.38 -0.02 1.61 0.15 0.30 -3.22 113.70 111.14 3gvk s SER 706 Ca 0.00 0.12 0.02 0.00 0.70 0.00 0.00 55.95 56.80 3gvk s SER 706 Cb 0.00 0.46 0.00 0.00 -1.71 0.00 0.00 66.02 64.77 3gvk s SER 706 CO 0.00 -0.68 -0.09 -0.69 1.20 0.00 0.00 173.24 172.98 3gvk s VAL 707 N -2.37 0.72 0.09 4.45 1.01 -1.26 -0.51 120.40 122.54 3gvk s VAL 707 Ca -0.06 -0.35 0.01 0.00 0.00 0.00 0.00 61.98 61.59 3gvk s VAL 707 Cb -0.01 -0.64 -0.04 0.00 0.00 0.00 0.00 36.38 35.69 3gvk s VAL 707 CO -0.01 0.22 -0.06 0.68 0.00 0.00 0.00 175.10 175.93 3gvk s VAL 708 N 0.09 0.63 -0.12 2.92 -7.23 -0.62 -4.82 120.40 111.25 3gvk s VAL 708 Ca -0.01 -1.84 0.00 0.00 -1.81 0.00 0.00 61.98 58.32 3gvk s VAL 708 Cb -0.07 -1.56 -0.02 0.00 0.56 0.00 0.00 36.38 35.29 3gvk s VAL 708 CO 0.00 -0.84 -0.13 -0.69 -0.31 0.00 0.00 175.10 173.13 3gvk s VAL 709 N -3.44 3.05 -0.11 1.32 1.01 -1.26 -0.21 120.40 120.75 3gvk s VAL 709 Ca 0.09 -0.67 0.00 0.00 0.00 0.00 0.00 61.98 61.40 3gvk s VAL 709 Cb 0.04 -2.27 0.02 0.00 0.00 0.00 0.00 36.38 34.18 3gvk s VAL 709 CO -0.05 0.53 -0.09 -0.75 0.00 0.00 0.00 175.10 174.75 3gvk s LYS 710 N 0.19 1.61 6.25 2.72 2.20 -0.49 -4.93 119.74 127.30 3gvk s LYS 710 Ca -0.08 -0.30 0.00 0.00 -0.36 0.00 0.00 55.97 55.23 3gvk s LYS 710 Cb -0.15 -1.60 0.00 0.00 -1.51 0.00 0.00 37.83 34.57 3gvk s LYS 710 CO 0.05 -0.22 0.00 -0.25 -0.36 0.00 0.00 175.35 174.57 3gvk n ASP 711 N 4.76 0.00 -2.12 1.43 8.00 -1.26 -2.17 116.55 125.19 3gvk n ASP 711 Ca -0.14 0.00 -0.25 0.00 0.71 0.00 0.00 54.79 55.10 3gvk n ASP 711 Cb 0.50 0.00 0.14 0.00 -0.02 0.00 0.00 41.12 41.74 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 4.56 4.92 -4.18 -2.24 3.02 -1.26 -4.91 115.26 115.17 3gvk n ASN 712 Ca 0.00 -3.70 -0.23 0.00 -0.03 0.00 0.00 54.58 50.62 3gvk n ASN 712 Cb 0.00 -0.83 -0.14 0.00 -0.61 0.00 0.00 39.78 38.19 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 -3.48 1.51 -0.01 3.10 2.02 -0.92 -1.16 117.35 118.40 3gvk s TYR 713 Ca 0.58 -0.33 0.01 0.00 -0.37 0.00 0.00 57.07 56.96 3gvk s TYR 713 Cb 0.48 -0.93 -0.04 0.00 -0.40 0.00 0.00 41.96 41.07 3gvk s TYR 713 CO 0.05 0.03 -0.00 -1.50 -1.57 0.00 0.00 175.55 172.56 3gvk s ILE 714 N -0.64 4.14 -0.10 2.71 2.07 0.05 -1.39 121.20 128.04 3gvk s ILE 714 Ca 0.05 -0.57 0.01 0.00 -1.41 0.00 0.00 60.65 58.73 3gvk s ILE 714 Cb -0.07 -2.83 0.02 0.00 0.13 0.00 0.00 42.46 39.70 3gvk s ILE 714 CO 0.01 0.40 -0.12 -0.31 -1.91 0.00 0.00 174.94 173.01 3gvk s TYR 715 N -1.06 1.72 -0.32 3.50 2.02 0.70 -0.91 117.35 123.00 3gvk s TYR 715 Ca 0.19 -0.79 -0.04 0.00 -0.37 0.00 0.00 57.07 56.05 3gvk s TYR 715 Cb -0.11 -1.29 0.04 0.00 -0.40 0.00 0.00 41.96 40.20 3gvk s TYR 715 CO 0.09 -0.44 0.06 -0.47 -1.57 0.00 0.00 175.55 173.22 3gvk s TYR 716 N 1.12 3.26 -0.22 2.71 5.04 -0.35 -1.59 117.35 127.32 3gvk s TYR 716 Ca -0.05 -1.64 -0.09 0.00 -2.44 0.00 0.00 57.07 52.85 3gvk s TYR 716 Cb -0.14 -2.21 -0.05 0.00 0.35 0.00 0.00 41.96 39.91 3gvk s TYR 716 CO -0.02 -0.77 0.13 -1.64 -1.34 0.00 0.00 175.55 171.91 3gvk s MET 717 N 1.33 4.02 0.21 4.97 -1.94 0.33 -0.79 119.30 127.44 3gvk s MET 717 Ca -0.03 -0.30 -0.21 0.00 -1.71 0.00 0.00 55.69 53.43 3gvk s MET 717 Cb -0.20 -3.43 0.05 0.00 2.01 0.00 0.00 34.83 33.25 3gvk s MET 717 CO 0.01 0.11 0.63 -0.59 -0.01 0.00 0.00 175.02 175.17 3gvk s PHE 718 N 0.89 -0.35 0.41 -0.03 -0.12 -0.39 -0.54 117.98 117.86 3gvk s PHE 718 Ca 0.06 0.03 -0.13 0.00 -0.05 0.00 0.00 56.93 56.84 3gvk s PHE 718 Cb -0.13 0.59 -0.07 0.00 -0.63 0.00 0.00 43.02 42.78 3gvk s PHE 718 CO 0.03 -1.01 0.81 0.20 -0.05 0.00 0.00 175.22 175.20 3gvk s GLY 719 N -2.83 2.04 -0.03 1.99 0.00 -0.76 -0.12 107.32 107.62 3gvk s GLY 719 Ca 0.06 -0.07 -0.26 0.00 0.00 0.00 0.00 44.72 44.45 3gvk s GLY 719 CO -0.04 0.14 0.57 -0.32 0.00 0.00 0.00 173.10 173.45 3gvk s GLY 720 N -2.97 -0.45 0.34 0.20 0.00 -0.30 -0.65 107.32 103.48 3gvk s GLY 720 Ca 0.53 0.98 0.04 0.00 0.00 0.00 0.00 44.72 46.28 3gvk s GLY 720 CO 0.29 0.67 0.31 1.18 0.00 0.00 0.00 173.10 175.55 3gvk n GLU 721 N 0.94 0.94 -3.41 2.90 1.02 -0.63 -1.05 120.64 121.36 3gvk n GLU 721 Ca -0.20 -2.01 -0.13 0.00 -0.02 0.00 0.00 57.16 54.80 3gvk n GLU 721 Cb 0.57 0.12 -0.05 0.00 -0.02 0.00 0.00 31.44 32.06 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 -2.10 0.21 -0.10 1.62 5.68 -1.23 -4.08 116.55 116.56 3gvk n ASP 722 Ca 0.02 -2.33 0.11 0.00 -0.50 0.00 0.00 54.79 52.09 3gvk n ASP 722 Cb 0.37 0.86 0.63 0.00 -1.14 0.00 0.00 41.12 41.84 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 -0.46 0.03 -2.73 2.11 8.25 -1.26 -4.18 115.22 116.97 3gvk n HIS 723 Ca 0.01 -0.01 -0.43 0.00 -0.26 0.00 0.00 57.72 57.03 3gvk n HIS 723 Cb 0.37 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.45 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 -1.97 3.00 0.28 4.41 0.08 -1.26 -5.01 117.98 117.50 3gvk s PHE 724 Ca 0.34 0.76 -0.30 0.00 0.12 0.00 0.00 56.93 57.86 3gvk s PHE 724 Cb 0.16 -3.89 -0.10 0.00 -0.57 0.00 0.00 43.02 38.62 3gvk s PHE 724 CO 0.27 -0.96 1.44 1.21 -0.10 0.00 0.00 175.22 177.07 3gvk s ASN 725 N 2.04 6.62 0.09 1.36 3.84 -1.26 -4.34 114.94 123.29 3gvk s ASN 725 Ca 0.41 2.73 0.22 0.00 0.21 0.00 0.00 52.86 56.44 3gvk s ASN 725 Cb -0.11 -2.63 0.90 0.00 -0.55 0.00 0.00 41.25 38.86 3gvk s ASN 725 CO 0.22 -0.71 1.69 -0.81 -2.79 0.00 0.00 177.10 174.70 3gvk n PRO 726 N 1.93 0.08 -3.39 0.43 -0.04 -1.26 -4.77 135.00 127.98 3gvk n PRO 726 Ca 0.05 0.22 -0.23 0.00 -0.04 0.00 0.00 63.50 63.50 3gvk n PRO 726 Cb 0.40 -1.63 0.06 0.00 -0.04 0.00 0.00 33.50 32.29 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 -1.78 -2.55 -0.16 0.54 7.02 -1.26 -4.67 117.44 114.57 3gvk n TRP 727 Ca 0.04 0.84 -0.05 0.00 -1.02 0.00 0.00 57.50 57.32 3gvk n TRP 727 Cb 0.27 -4.82 0.14 0.00 -2.42 0.00 0.00 31.31 24.48 3gvk n TRP 727 CO 0.00 0.00 0.00 1.15 -2.02 0.00 0.00 177.69 176.82 3gvk h THR 728 N -2.25 1.24 -3.37 -0.99 2.02 -1.89 -0.05 112.91 107.63 3gvk h THR 728 Ca -0.55 -0.94 -0.76 0.00 0.77 0.00 0.00 66.41 64.93 3gvk h THR 728 Cb 1.36 0.71 -0.26 0.00 -1.74 0.00 0.00 68.15 68.22 3gvk h THR 728 CO 0.56 0.35 -0.17 -0.31 0.37 0.00 0.00 175.52 176.32 3gvk s TYR 729 N -5.15 3.45 -5.00 3.16 2.02 -1.26 -3.68 117.35 110.89 3gvk s TYR 729 Ca -0.10 -1.69 0.00 0.00 -0.37 0.00 0.00 57.07 54.90 3gvk s TYR 729 Cb 0.15 -3.72 0.00 0.00 -0.40 0.00 0.00 41.96 37.99 3gvk s TYR 729 CO 0.82 -1.00 0.00 0.41 -1.57 0.00 0.00 175.55 174.21 3gvk n GLY 730 N 4.70 0.23 0.18 0.71 0.00 -1.22 -4.97 105.19 104.83 3gvk n GLY 730 Ca -0.03 -1.27 0.09 0.00 0.00 0.00 0.00 46.02 44.80 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 0.55 -2.64 1.61 5.68 -1.23 -4.15 116.55 116.38 3gvk n ASP 731 Ca 0.00 -1.58 -0.13 0.00 -0.50 0.00 0.00 54.79 52.59 3gvk n ASP 731 Cb 0.00 -0.04 0.02 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 -0.40 2.08 0.28 -1.12 5.15 -0.03 -4.84 115.26 116.38 3gvk n ASN 732 Ca 0.13 -2.92 0.14 0.00 -0.60 0.00 0.00 54.58 51.33 3gvk n ASN 732 Cb 0.14 -0.52 0.82 0.00 -0.53 0.00 0.00 39.78 39.70 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 2.92 0.00 0.84 1.20 4.64 -1.63 -1.00 113.55 120.52 3gvk h SER 733 Ca -0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 3gvk h SER 733 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 3gvk h SER 733 CO 0.57 0.06 0.00 0.00 -0.87 0.00 0.00 176.83 176.59 3gvk h ALA 734 N 1.94 1.00 -2.87 5.18 0.00 -1.89 -3.47 119.26 119.15 3gvk h ALA 734 Ca -0.00 0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.58 3gvk h ALA 734 Cb 0.16 0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.97 3gvk h ALA 734 CO 0.01 0.00 -0.45 1.63 0.00 0.00 0.00 179.25 180.44 3gvk n LYS 735 N -2.35 -2.37 -1.80 0.00 5.02 -0.38 -4.95 118.16 111.33 3gvk n LYS 735 Ca 0.02 0.77 -0.42 0.00 -2.02 0.00 0.00 58.31 56.66 3gvk n LYS 735 Cb 0.26 -5.20 -0.03 0.00 -0.02 0.00 0.00 35.03 30.04 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 -2.47 6.37 0.58 4.39 -1.08 -1.26 -4.82 116.67 118.38 3gvk s ASP 736 Ca 0.10 2.34 0.33 0.00 -0.52 0.00 0.00 52.55 54.80 3gvk s ASP 736 Cb -0.04 -2.53 1.81 0.00 -1.46 0.00 0.00 42.92 40.70 3gvk s ASP 736 CO 0.12 -1.16 2.20 -0.65 0.52 0.00 0.00 175.17 176.19 3gvk h PRO 737 N 10.93 0.00 -0.35 4.34 0.11 -1.92 -3.11 132.00 142.00 3gvk h PRO 737 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 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 0.95 0.04 0.00 1.19 -0.21 0.00 0.00 178.00 179.98 3gvk n PHE 738 N -3.50 0.46 -3.44 0.65 3.72 -1.26 -3.32 117.46 110.77 3gvk n PHE 738 Ca -0.02 -0.23 -0.38 0.00 -0.05 0.00 0.00 57.45 56.77 3gvk n PHE 738 Cb 0.16 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.64 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 -1.54 4.01 4.37 -1.08 1.02 -1.18 -4.92 119.74 120.41 3gvk s LYS 739 Ca 0.37 0.48 0.00 0.00 0.02 0.00 0.00 55.97 56.84 3gvk s LYS 739 Cb 0.21 -3.24 0.00 0.00 -0.52 0.00 0.00 37.83 34.28 3gvk s LYS 739 CO 0.30 0.64 0.00 0.45 -0.92 0.00 0.00 175.35 175.82 3gvk n SER 740 N 1.92 0.00 -0.90 2.83 2.88 -1.26 -1.36 113.62 117.73 3gvk n SER 740 Ca -0.13 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 57.49 3gvk n SER 740 Cb 0.52 0.00 0.21 0.00 -0.75 0.00 0.00 64.21 64.19 3gvk n SER 740 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 3gvk n ASP 741 N 2.76 2.62 0.00 -3.46 8.00 -1.26 -5.03 116.55 120.17 3gvk n ASP 741 Ca 0.00 -2.02 0.00 0.00 0.71 0.00 0.00 54.79 53.48 3gvk n ASP 741 Cb 0.00 -0.33 0.00 0.00 -0.02 0.00 0.00 41.12 40.77 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 1.23 2.63 3.62 0.44 0.00 -0.47 -4.63 105.19 108.02 3gvk n GLY 742 Ca 0.16 -0.27 -0.34 0.00 0.00 0.00 0.00 46.02 45.57 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 3.20 0.14 1.61 3.76 0.08 -4.21 115.29 119.87 3gvk s HIS 743 Ca 0.00 0.03 0.29 0.00 -0.15 0.00 0.00 55.06 55.24 3gvk s HIS 743 Cb 0.00 -2.00 1.20 0.00 1.11 0.00 0.00 32.58 32.90 3gvk s HIS 743 CO 0.00 0.19 1.93 -1.00 -0.85 0.00 0.00 174.74 175.01 3gvk h PRO 744 N 6.35 0.00 -6.53 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 0.02 0.00 0.13 0.00 0.00 31.00 32.33 3gvk h PRO 744 CO 0.66 0.10 0.76 0.45 -0.23 0.00 0.00 178.00 179.74 3gvk s SER 745 N -5.92 6.79 0.22 1.44 0.15 -1.26 -3.56 113.70 111.56 3gvk s SER 745 Ca 0.01 2.35 -0.06 0.00 0.70 0.00 0.00 55.95 58.94 3gvk s SER 745 Cb 0.10 -2.58 -0.02 0.00 -1.71 0.00 0.00 66.02 61.80 3gvk s SER 745 CO 0.58 -0.69 0.28 -1.81 1.20 0.00 0.00 173.24 172.81 3gvk s ASP 746 N 1.24 0.04 0.10 5.45 1.01 -0.21 -2.09 116.67 122.20 3gvk s ASP 746 Ca 0.66 -1.16 -0.09 0.00 0.71 0.00 0.00 52.55 52.67 3gvk s ASP 746 Cb -0.37 0.47 -0.06 0.00 1.01 0.00 0.00 42.92 43.97 3gvk s ASP 746 CO 0.30 -0.97 0.40 -0.76 0.21 0.00 0.00 175.17 174.35 3gvk s LEU 747 N -3.09 4.32 0.21 1.23 1.43 -1.26 -1.15 118.68 120.38 3gvk s LEU 747 Ca 0.30 0.75 0.05 0.00 -1.03 0.00 0.00 54.13 54.21 3gvk s LEU 747 Cb 0.04 -3.07 -0.05 0.00 0.03 0.00 0.00 46.19 43.14 3gvk s LEU 747 CO 0.10 0.14 -0.07 -0.31 0.23 0.00 0.00 176.35 176.43 3gvk s TYR 748 N -1.47 1.58 -0.04 0.29 2.02 0.83 -0.44 117.35 120.13 3gvk s TYR 748 Ca 0.35 -0.75 -0.01 0.00 -0.37 0.00 0.00 57.07 56.28 3gvk s TYR 748 Cb -0.13 -0.84 0.03 0.00 -0.40 0.00 0.00 41.96 40.61 3gvk s TYR 748 CO 0.19 0.15 0.05 0.00 -1.57 0.00 0.00 175.55 174.37 3gvk s TYR 750 N 1.86 3.27 -0.29 0.00 5.04 0.03 -0.27 117.35 126.99 3gvk s TYR 750 Ca 0.01 0.56 -0.07 0.00 -2.44 0.00 0.00 57.07 55.13 3gvk s TYR 750 Cb -0.12 -2.65 0.01 0.00 0.35 0.00 0.00 41.96 39.54 3gvk s TYR 750 CO -0.03 -0.23 0.08 0.21 -1.34 0.00 0.00 175.55 174.23 3gvk s LYS 751 N 2.12 3.15 -0.05 4.97 2.20 -0.16 -1.21 119.74 130.76 3gvk s LYS 751 Ca 0.19 -0.82 0.05 0.00 -0.36 0.00 0.00 55.97 55.04 3gvk s LYS 751 Cb -0.16 -3.36 -0.01 0.00 -1.51 0.00 0.00 37.83 32.80 3gvk s LYS 751 CO 0.09 -0.41 -0.21 1.41 -0.36 0.00 0.00 175.35 175.86 3gvk s MET 752 N 1.51 2.19 0.08 4.03 1.75 -0.09 -1.12 119.30 127.66 3gvk s MET 752 Ca 0.03 -0.77 -0.31 0.00 -1.25 0.00 0.00 55.69 53.39 3gvk s MET 752 Cb -0.17 -1.88 -0.07 0.00 2.84 0.00 0.00 34.83 35.55 3gvk s MET 752 CO 0.02 0.32 1.36 0.21 -0.65 0.00 0.00 175.02 176.29 3gvk s LYS 753 N -0.08 4.33 0.00 4.11 2.20 0.36 -0.77 119.74 129.88 3gvk s LYS 753 Ca -0.03 2.00 0.00 0.00 -0.36 0.00 0.00 55.97 57.58 3gvk s LYS 753 Cb -0.13 -3.34 0.00 0.00 -1.51 0.00 0.00 37.83 32.85 3gvk s LYS 753 CO 0.03 -0.44 0.44 0.44 -0.36 0.00 0.00 175.35 175.46 3gvk n ILE 754 N 4.11 0.11 -3.83 5.43 -6.64 -0.31 -4.82 119.36 113.41 3gvk n ILE 754 Ca 0.11 -0.42 -0.04 0.00 -1.77 0.00 0.00 62.75 60.64 3gvk n ILE 754 Cb 0.43 1.17 0.01 0.00 -1.44 0.00 0.00 39.64 39.81 3gvk n ILE 754 CO 0.00 0.00 0.00 -0.83 -1.77 0.00 0.00 176.55 173.95 3gvk s GLY 755 N -0.11 0.00 0.55 3.28 0.00 -1.15 -4.99 107.32 104.90 3gvk s GLY 755 Ca 0.00 -0.19 -0.21 0.00 0.00 0.00 0.00 44.72 44.32 3gvk s GLY 755 CO 0.00 1.24 1.31 -4.14 0.00 0.00 0.00 173.10 171.50 3gvk s PRO 756 N -2.60 3.17 -0.29 2.90 0.02 -1.26 -4.86 135.00 132.08 3gvk s PRO 756 Ca 0.18 2.10 -0.01 0.00 0.02 0.00 0.00 61.00 63.29 3gvk s PRO 756 Cb -0.02 -2.21 0.05 0.00 0.02 0.00 0.00 34.50 32.34 3gvk s PRO 756 CO 0.05 -1.12 -0.02 0.34 -0.33 0.00 0.00 177.00 175.91 3gvk s ASP 757 N -1.13 4.79 -0.20 2.53 -1.08 -1.26 -4.75 116.67 115.58 3gvk s ASP 757 Ca 0.72 -1.28 0.11 0.00 -0.52 0.00 0.00 52.55 51.57 3gvk s ASP 757 Cb -0.37 -1.68 0.65 0.00 -1.46 0.00 0.00 42.92 40.06 3gvk s ASP 757 CO 0.43 -0.24 1.52 0.59 0.52 0.00 0.00 175.17 177.99 3gvk n ASN 758 N 4.59 4.75 -4.30 -0.34 4.13 -1.26 -4.90 115.26 117.93 3gvk n ASN 758 Ca -0.13 -2.78 -0.19 0.00 1.68 0.00 0.00 54.58 53.15 3gvk n ASN 758 Cb 0.43 -0.66 -0.11 0.00 -1.54 0.00 0.00 39.78 37.90 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 -2.43 1.19 0.65 3.52 0.52 -1.26 -5.14 118.95 116.01 3gvk s ARG 759 Ca 0.44 -1.40 -0.17 0.00 -0.52 0.00 0.00 55.73 54.08 3gvk s ARG 759 Cb 0.34 -1.10 -0.00 0.00 0.52 0.00 0.00 34.95 34.71 3gvk s ARG 759 CO 0.13 0.21 1.22 0.08 0.02 0.00 0.00 175.30 176.95 3gvk s VAL 760 N -2.38 2.45 0.35 3.52 1.01 -1.26 -4.93 120.40 119.16 3gvk s VAL 760 Ca 0.15 0.26 -0.28 0.00 0.00 0.00 0.00 61.98 62.11 3gvk s VAL 760 Cb -0.04 -2.98 -0.12 0.00 0.00 0.00 0.00 36.38 33.24 3gvk s VAL 760 CO 0.05 -0.09 1.27 -0.24 0.00 0.00 0.00 175.10 176.09 3gvk n SER 761 N -2.08 2.64 -0.57 3.32 2.88 -1.26 -4.91 113.62 113.64 3gvk n SER 761 Ca 0.14 1.19 0.12 0.00 -1.33 0.00 0.00 58.87 58.99 3gvk n SER 761 Cb 0.50 -1.47 0.23 0.00 -0.75 0.00 0.00 64.21 62.72 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 0.50 1.55 -1.79 -1.46 3.00 -1.26 -5.01 116.66 112.18 3gvk n ARG 762 Ca 0.05 -1.14 -0.41 0.00 -0.01 0.00 0.00 57.85 56.34 3gvk n ARG 762 Cb 0.36 -1.48 -0.01 0.00 0.00 0.00 0.00 32.46 31.34 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 -2.24 6.36 0.09 0.55 1.11 -1.26 -5.03 116.67 116.26 3gvk s ASP 763 Ca 0.27 2.99 0.02 0.00 0.18 0.00 0.00 52.55 56.02 3gvk s ASP 763 Cb 0.20 -2.65 -0.04 0.00 1.07 0.00 0.00 42.92 41.50 3gvk s ASP 763 CO 0.43 -0.89 -0.08 0.72 1.18 0.00 0.00 175.17 176.53 3gvk s PHE 764 N -0.50 0.92 -0.09 4.23 -0.12 -1.26 -5.14 117.98 116.02 3gvk s PHE 764 Ca 0.59 -0.78 -0.17 0.00 -0.05 0.00 0.00 56.93 56.51 3gvk s PHE 764 Cb -0.47 -0.52 -0.05 0.00 -0.63 0.00 0.00 43.02 41.35 3gvk s PHE 764 CO 0.55 -0.09 0.44 0.50 -0.05 0.00 0.00 175.22 176.57 3gvk s ARG 765 N -3.25 4.24 -0.32 1.99 3.52 -1.26 -5.05 118.95 118.81 3gvk s ARG 765 Ca 0.07 0.40 -0.28 0.00 -0.13 0.00 0.00 55.73 55.80 3gvk s ARG 765 Cb 0.01 -3.38 0.01 0.00 -1.56 0.00 0.00 34.95 30.03 3gvk s ARG 765 CO -0.03 0.30 1.01 -0.47 -0.81 0.00 0.00 175.30 175.30 3gvk s TYR 766 N 0.19 3.15 0.00 5.12 5.04 -1.26 -4.87 117.35 124.72 3gvk s TYR 766 Ca 0.24 1.08 0.00 0.00 -2.44 0.00 0.00 57.07 55.95 3gvk s TYR 766 Cb -0.15 -3.62 0.00 0.00 0.35 0.00 0.00 41.96 38.54 3gvk s TYR 766 CO 0.10 -0.75 0.87 0.41 -1.34 0.00 0.00 175.55 174.84 3gvk n GLY 767 N 3.99 1.52 3.90 8.97 0.00 -1.26 -5.07 105.19 117.23 3gvk n GLY 767 Ca 0.10 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.74 3.35 -0.13 4.61 0.00 -1.26 -5.04 121.76 122.55 3gvk s ALA 768 Ca 0.00 -0.40 -0.29 0.00 0.00 0.00 0.00 51.96 51.26 3gvk s ALA 768 Cb 0.00 -2.67 -0.02 0.00 0.00 0.00 0.00 23.12 20.43 3gvk s ALA 768 CO 0.00 -0.35 1.24 0.08 0.00 0.00 0.00 175.76 176.73 3gvk s VAL 769 N -2.75 4.27 -0.00 0.00 1.01 -1.26 -4.98 120.40 116.70 3gvk s VAL 769 Ca 0.49 1.56 -0.30 0.00 0.00 0.00 0.00 61.98 63.73 3gvk s VAL 769 Cb -0.10 -4.01 -0.08 0.00 0.00 0.00 0.00 36.38 32.19 3gvk s VAL 769 CO 0.44 -0.10 1.92 -2.84 0.00 0.00 0.00 175.10 174.53 3gvk s PRO 770 N 3.12 4.07 -0.07 2.72 0.02 -1.26 -4.84 135.00 138.76 3gvk s PRO 770 Ca 0.55 2.48 0.22 0.00 0.02 0.00 0.00 61.00 64.27 3gvk s PRO 770 Cb -0.22 -4.14 0.43 0.00 0.02 0.00 0.00 34.50 30.58 3gvk s PRO 770 CO 0.17 -1.02 1.18 -1.71 -0.33 0.00 0.00 177.00 175.29 3gvk n ASN 771 N 7.76 1.27 -0.13 2.53 5.15 -1.26 -4.80 115.26 125.78 3gvk n ASN 771 Ca 0.20 -2.48 -0.21 0.00 -0.60 0.00 0.00 54.58 51.49 3gvk n ASN 771 Cb 0.42 -0.36 -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 0.04 0.60 0.19 1.20 5.12 -1.26 -3.97 116.66 118.58 3gvk n ARG 772 Ca 0.10 0.18 -0.14 0.00 -1.93 0.00 0.00 57.85 56.06 3gvk n ARG 772 Cb 1.02 -1.48 -0.08 0.00 -1.16 0.00 0.00 32.46 30.76 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 -0.33 -0.47 -3.06 7.54 0.00 -2.01 -3.36 119.26 117.56 3gvk h ALA 773 Ca -0.60 -0.17 -0.62 0.00 0.00 0.00 0.00 54.91 53.52 3gvk h ALA 773 Cb 1.77 0.18 -0.41 0.00 0.00 0.00 0.00 17.79 19.34 3gvk h ALA 773 CO -0.20 -0.64 -0.69 0.08 0.00 0.00 0.00 179.25 177.80 3gvk s VAL 774 N -5.03 1.95 -0.15 0.00 1.01 -1.26 -5.09 120.40 111.83 3gvk s VAL 774 Ca -0.15 -3.13 -0.29 0.00 0.00 0.00 0.00 61.98 58.41 3gvk s VAL 774 Cb 0.03 -2.34 -0.05 0.00 0.00 0.00 0.00 36.38 34.02 3gvk s VAL 774 CO 0.57 -0.92 1.83 -2.84 0.00 0.00 0.00 175.10 173.73 3gvk s PRO 775 N -0.23 3.76 -0.07 2.72 0.02 -1.25 -4.85 135.00 135.10 3gvk s PRO 775 Ca 0.20 2.00 0.04 0.00 0.02 0.00 0.00 61.00 63.26 3gvk s PRO 775 Cb -0.18 -4.13 -0.01 0.00 0.02 0.00 0.00 34.50 30.19 3gvk s PRO 775 CO -0.05 -1.35 -0.21 0.08 -0.33 0.00 0.00 177.00 175.14 3gvk s VAL 776 N 5.59 2.41 -0.03 3.83 1.01 -1.26 -3.96 120.40 127.99 3gvk s VAL 776 Ca 0.82 -0.93 0.02 0.00 0.00 0.00 0.00 61.98 61.89 3gvk s VAL 776 Cb -0.31 -1.92 0.01 0.00 0.00 0.00 0.00 36.38 34.16 3gvk s VAL 776 CO 0.33 0.56 -0.07 -0.36 0.00 0.00 0.00 175.10 175.56 3gvk s PHE 777 N -0.11 0.86 -0.37 5.22 0.08 -0.26 -4.92 117.98 118.48 3gvk s PHE 777 Ca -0.04 -0.23 -0.29 0.00 0.12 0.00 0.00 56.93 56.49 3gvk s PHE 777 Cb -0.14 -0.65 0.00 0.00 -0.57 0.00 0.00 43.02 41.66 3gvk s PHE 777 CO 0.04 -0.13 1.40 -0.06 -0.10 0.00 0.00 175.22 176.37 3gvk s PHE 778 N 0.43 2.44 1.08 0.36 0.08 -1.26 -0.17 117.98 120.94 3gvk s PHE 778 Ca -0.06 0.72 -0.15 0.00 0.12 0.00 0.00 56.93 57.55 3gvk s PHE 778 Cb -0.10 -4.18 0.23 0.00 -0.57 0.00 0.00 43.02 38.40 3gvk s PHE 778 CO 0.01 -1.99 1.11 0.34 -0.10 0.00 0.00 175.22 174.58 3gvk s ASP 779 N 3.69 1.99 0.60 1.36 -1.08 -0.74 -4.82 116.67 117.68 3gvk s ASP 779 Ca 0.61 0.94 0.41 0.00 -0.52 0.00 0.00 52.55 53.98 3gvk s ASP 779 Cb -0.15 -1.44 2.20 0.00 -1.46 0.00 0.00 42.92 42.07 3gvk s ASP 779 CO 0.30 -3.50 2.24 0.71 0.52 0.00 0.00 175.17 175.44 3gvk h THR 780 N -2.15 0.00 -0.62 1.71 1.35 -1.95 0.83 112.91 112.09 3gvk h THR 780 Ca -0.51 -0.01 0.00 0.00 -0.55 0.00 0.00 66.41 65.34 3gvk h THR 780 Cb 1.32 0.91 0.00 0.00 -1.73 0.00 0.00 68.15 68.65 3gvk h THR 780 CO 0.49 0.00 0.00 -0.46 -0.25 0.00 0.00 175.52 175.30 3gvk n ASN 781 N -2.93 4.53 0.00 5.36 6.94 -1.26 -4.97 115.26 122.93 3gvk n ASN 781 Ca -0.03 -2.40 0.00 0.00 -0.02 0.00 0.00 54.58 52.13 3gvk n ASN 781 Cb 0.07 -0.55 0.00 0.00 -2.36 0.00 0.00 39.78 36.94 3gvk n ASN 781 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3gvk n GLY 782 N 1.06 0.47 3.62 4.83 0.00 0.29 -5.04 105.19 110.41 3gvk n GLY 782 Ca 0.25 -0.74 -0.34 0.00 0.00 0.00 0.00 46.02 45.18 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 4.37 0.03 1.61 1.01 -1.26 -4.83 120.40 119.33 3gvk s VAL 783 Ca 0.00 -0.20 -0.33 0.00 0.00 0.00 0.00 61.98 61.45 3gvk s VAL 783 Cb 0.00 -2.90 -0.11 0.00 0.00 0.00 0.00 36.38 33.36 3gvk s VAL 783 CO 0.00 0.53 1.83 0.54 0.00 0.00 0.00 175.10 178.00 3gvk n ARG 784 N 3.00 2.45 -4.75 2.72 1.74 -1.26 -1.79 116.66 118.77 3gvk n ARG 784 Ca -0.18 0.89 -0.30 0.00 -0.77 0.00 0.00 57.85 57.50 3gvk n ARG 784 Cb 0.53 -2.76 -0.17 0.00 -1.02 0.00 0.00 32.46 29.05 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 3.21 1.74 -0.36 0.55 2.01 0.77 -4.93 115.64 118.62 3gvk s THR 785 Ca 0.87 -0.81 -0.08 0.00 0.31 0.00 0.00 61.69 61.98 3gvk s THR 785 Cb -0.59 -1.54 0.04 0.00 0.01 0.00 0.00 72.50 70.41 3gvk s THR 785 CO 0.44 0.49 0.15 -0.69 -0.69 0.00 0.00 174.62 174.31 3gvk s VAL 786 N 0.71 4.08 -0.78 3.82 1.01 -1.26 -1.10 120.40 126.88 3gvk s VAL 786 Ca -0.12 -1.06 0.25 0.00 0.00 0.00 0.00 61.98 61.06 3gvk s VAL 786 Cb -0.16 -3.31 0.08 0.00 0.00 0.00 0.00 36.38 32.99 3gvk s VAL 786 CO 0.02 -0.22 1.45 -2.65 0.00 0.00 0.00 175.10 173.70 3gvk n PRO 787 N 4.88 0.18 -2.54 2.72 -0.02 -1.25 -4.92 135.00 134.05 3gvk n PRO 787 Ca -0.12 0.07 -0.39 0.00 -2.02 0.00 0.00 63.50 61.04 3gvk n PRO 787 Cb 0.45 -1.63 -0.05 0.00 -0.02 0.00 0.00 33.50 32.25 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 -3.10 3.29 0.35 3.55 0.00 -1.26 -5.02 121.76 119.57 3gvk s ALA 788 Ca 0.09 0.78 -0.28 0.00 0.00 0.00 0.00 51.96 52.55 3gvk s ALA 788 Cb 0.15 -3.29 -0.10 0.00 0.00 0.00 0.00 23.12 19.88 3gvk s ALA 788 CO 0.68 -0.11 1.29 -1.25 0.00 0.00 0.00 175.76 176.37 3gvk s PRO 789 N -1.77 4.25 0.03 0.00 0.04 -1.26 -5.03 135.00 131.26 3gvk s PRO 789 Ca 0.48 2.16 -0.00 0.00 0.04 0.00 0.00 61.00 63.68 3gvk s PRO 789 Cb -0.27 -2.97 -0.03 0.00 0.04 0.00 0.00 34.50 31.27 3gvk s PRO 789 CO 0.35 -0.26 -0.03 -1.64 0.04 0.00 0.00 177.00 175.46 3gvk s MET 790 N -1.93 0.42 -0.21 4.56 -1.94 -1.26 -5.14 119.30 113.80 3gvk s MET 790 Ca 0.51 -0.84 0.01 0.00 -1.71 0.00 0.00 55.69 53.66 3gvk s MET 790 Cb -0.38 0.15 0.03 0.00 2.01 0.00 0.00 34.83 36.63 3gvk s MET 790 CO 0.50 -0.07 -0.15 -1.21 -0.01 0.00 0.00 175.02 174.08 3gvk s GLU 791 N -2.37 2.86 -0.47 2.03 0.41 -1.26 -5.08 118.70 114.82 3gvk s GLU 791 Ca -0.07 -0.93 -0.13 0.00 -0.41 0.00 0.00 54.97 53.43 3gvk s GLU 791 Cb -0.03 -2.73 0.09 0.00 -1.78 0.00 0.00 34.13 29.68 3gvk s GLU 791 CO -0.04 -0.30 0.37 -0.06 -0.49 0.00 0.00 175.26 174.73 3gvk s PHE 792 N 1.27 3.30 -0.14 1.61 0.08 -1.26 -4.94 117.98 117.92 3gvk s PHE 792 Ca 0.02 -1.34 0.22 0.00 0.12 0.00 0.00 56.93 55.95 3gvk s PHE 792 Cb -0.15 -3.28 -0.16 0.00 -0.57 0.00 0.00 43.02 38.86 3gvk s PHE 792 CO -0.09 -0.89 0.77 0.25 -0.10 0.00 0.00 175.22 175.16 3gvk n THR 793 N 5.08 0.36 -1.85 0.64 -2.24 -1.26 -4.93 114.28 110.08 3gvk n THR 793 Ca -0.11 -0.53 -0.31 0.00 -2.27 0.00 0.00 64.05 60.82 3gvk n THR 793 Cb 0.42 -0.20 0.02 0.00 -2.10 0.00 0.00 70.33 68.47 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 -4.46 1.72 0.05 3.38 0.00 -1.26 -4.96 107.32 101.80 3gvk s GLY 794 Ca -0.04 0.01 -0.36 0.00 0.00 0.00 0.00 44.72 44.33 3gvk s GLY 794 CO 0.85 0.29 1.55 1.22 0.00 0.00 0.00 173.10 177.01 3gvk n ASP 795 N -2.71 2.54 -4.28 1.64 8.00 -1.26 -4.95 116.55 115.54 3gvk n ASP 795 Ca 0.07 1.08 -0.33 0.00 0.71 0.00 0.00 54.79 56.32 3gvk n ASP 795 Cb 0.54 -1.30 -0.16 0.00 -0.02 0.00 0.00 41.12 40.18 3gvk n ASP 795 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3gvk s LEU 796 N 1.50 2.41 -0.18 0.64 2.96 -1.26 -5.10 118.68 119.64 3gvk s LEU 796 Ca 0.85 -0.46 -0.03 0.00 -0.22 0.00 0.00 54.13 54.27 3gvk s LEU 796 Cb -0.82 -1.52 -0.02 0.00 0.50 0.00 0.00 46.19 44.32 3gvk s LEU 796 CO 0.46 0.13 -0.05 -0.83 -1.32 0.00 0.00 176.35 174.74 3gvk s GLY 797 N 0.53 1.64 0.11 7.98 0.00 -1.26 -5.12 107.32 111.19 3gvk s GLY 797 Ca -0.11 -0.99 0.10 0.00 0.00 0.00 0.00 44.72 43.72 3gvk s GLY 797 CO 0.04 0.14 -0.26 1.08 0.00 0.00 0.00 173.10 174.10 3gvk s LEU 798 N 0.88 2.28 0.00 0.66 1.43 -1.26 -5.14 118.68 117.53 3gvk s LEU 798 Ca -0.01 -0.70 0.00 0.00 -1.03 0.00 0.00 54.13 52.38 3gvk s LEU 798 Cb -0.15 -1.20 0.00 0.00 0.03 0.00 0.00 46.19 44.87 3gvk s LEU 798 CO 0.01 0.19 0.00 0.61 0.23 0.00 0.00 176.35 177.39 3gvk n GLY 799 N 1.13 0.92 3.71 -3.19 0.00 -1.26 -4.97 105.19 101.54 3gvk n GLY 799 Ca -0.18 -0.50 -0.42 0.00 0.00 0.00 0.00 46.02 44.93 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 1.93 3.06 -0.09 1.61 5.65 -1.26 -5.01 115.29 121.19 3gvk s HIS 800 Ca 0.00 0.75 0.04 0.00 0.25 0.00 0.00 55.06 56.10 3gvk s HIS 800 Cb 0.00 -3.80 -0.00 0.00 -1.18 0.00 0.00 32.58 27.59 3gvk s HIS 800 CO 0.00 -2.94 -0.23 0.08 -0.65 0.00 0.00 174.74 171.00 3gvk s VAL 801 N 1.37 1.96 -0.16 0.89 1.01 -1.26 -5.11 120.40 119.09 3gvk s VAL 801 Ca 0.68 -0.97 0.01 0.00 0.00 0.00 0.00 61.98 61.69 3gvk s VAL 801 Cb -0.39 -1.69 0.01 0.00 0.00 0.00 0.00 36.38 34.31 3gvk s VAL 801 CO 0.31 0.54 -0.19 -0.89 0.00 0.00 0.00 175.10 174.87 3gvk s THR 802 N 0.25 2.31 -0.40 3.92 2.01 -1.26 -5.10 115.64 117.37 3gvk s THR 802 Ca -0.15 -0.88 -0.17 0.00 0.31 0.00 0.00 61.69 60.80 3gvk s THR 802 Cb -0.17 -1.96 0.01 0.00 0.01 0.00 0.00 72.50 70.40 3gvk s THR 802 CO 0.07 0.53 0.45 -0.63 -0.69 0.00 0.00 174.62 174.35 3gvk s ILE 803 N 0.98 5.07 0.61 1.82 1.01 -1.26 -5.06 121.20 124.37 3gvk s ILE 803 Ca -0.03 -0.13 -0.10 0.00 0.00 0.00 0.00 60.65 60.39 3gvk s ILE 803 Cb -0.15 -4.00 -0.03 0.00 0.01 0.00 0.00 42.46 38.29 3gvk s ILE 803 CO -0.04 -0.35 1.00 -0.13 0.00 0.00 0.00 174.94 175.42 3gvk s ARG 804 N 2.22 3.46 0.19 2.79 0.52 -1.26 -4.80 118.95 122.06 3gvk s ARG 804 Ca 0.14 0.60 -0.32 0.00 -0.52 0.00 0.00 55.73 55.63 3gvk s ARG 804 Cb -0.16 -2.12 -0.12 0.00 0.52 0.00 0.00 34.95 33.06 3gvk s ARG 804 CO 0.14 -0.59 1.71 0.00 0.02 0.00 0.00 175.30 176.57 3gvk n ALA 805 N -2.71 2.43 0.00 2.13 0.00 -1.26 -4.32 120.51 116.77 3gvk n ALA 805 Ca 0.05 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.89 3gvk n ALA 805 Cb 0.55 -2.49 0.00 0.00 0.00 0.00 0.00 19.45 17.50 3gvk n ALA 805 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3gvk n SER 806 N 4.06 0.00 -4.13 0.00 3.41 -0.38 -4.92 113.62 111.66 3gvk n SER 806 Ca 0.17 0.00 -0.21 0.00 -0.26 0.00 0.00 58.87 58.56 3gvk n SER 806 Cb 0.34 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.14 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 -0.25 1.14 -0.71 6.66 2.01 -0.84 -4.50 115.64 119.14 3gvk s THR 807 Ca 0.00 -0.81 -0.02 0.00 0.31 0.00 0.00 61.69 61.17 3gvk s THR 807 Cb 0.00 -0.99 0.00 0.00 0.01 0.00 0.00 72.50 71.53 3gvk s THR 807 CO 0.00 0.17 0.68 -0.24 -0.69 0.00 0.00 174.62 174.54 3gvk n SER 808 N 2.32 -7.50 -3.24 3.53 2.88 -1.26 -2.04 113.62 108.31 3gvk n SER 808 Ca -0.16 -0.09 -0.23 0.00 -1.33 0.00 0.00 58.87 57.05 3gvk n SER 808 Cb 0.55 -4.92 0.02 0.00 -0.75 0.00 0.00 64.21 59.11 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 -1.68 -5.00 -2.34 -3.46 7.64 -1.26 -2.13 113.62 105.39 3gvk n SER 809 Ca -0.02 -0.37 -0.16 0.00 1.01 0.00 0.00 58.87 59.33 3gvk n SER 809 Cb 0.52 -4.07 -0.01 0.00 -1.01 0.00 0.00 64.21 59.64 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 -2.45 -4.78 0.15 6.43 3.02 -1.15 -4.88 115.26 111.59 3gvk n ASN 810 Ca -0.06 0.12 -0.00 0.00 -0.03 0.00 0.00 54.58 54.62 3gvk n ASN 810 Cb 0.58 -4.04 0.20 0.00 -0.61 0.00 0.00 39.78 35.91 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 1.36 -3.91 2.41 2.10 -0.87 -3.41 117.51 115.18 3gvk h ILE 811 Ca -0.38 -2.00 -0.28 0.00 1.08 0.00 0.00 64.86 63.28 3gvk h ILE 811 Cb 1.27 2.10 -0.20 0.00 -1.09 0.00 0.00 36.82 38.90 3gvk h ILE 811 CO 0.46 0.56 -0.73 0.00 -1.08 0.00 0.00 178.15 177.36 3gvk s ARG 812 N -3.63 0.64 0.29 2.19 1.70 -1.07 -5.00 118.95 114.06 3gvk s ARG 812 Ca -0.01 -0.93 -0.11 0.00 -0.47 0.00 0.00 55.73 54.21 3gvk s ARG 812 Cb 0.12 -0.33 -0.08 0.00 -0.57 0.00 0.00 34.95 34.10 3gvk s ARG 812 CO 0.75 0.05 0.65 -1.54 -1.08 0.00 0.00 175.30 174.12 3gvk s SER 813 N -1.97 6.65 -0.11 -2.89 1.04 -1.26 -1.25 113.70 113.92 3gvk s SER 813 Ca -0.04 1.06 -0.07 0.00 0.48 0.00 0.00 55.95 57.39 3gvk s SER 813 Cb -0.06 -2.29 0.04 0.00 0.10 0.00 0.00 66.02 63.81 3gvk s SER 813 CO -0.01 -0.17 0.26 -0.70 0.98 0.00 0.00 173.24 173.60 3gvk s GLU 814 N -3.07 0.25 -0.12 4.02 2.12 -1.26 -4.96 118.70 115.68 3gvk s GLU 814 Ca 0.50 0.49 0.02 0.00 0.36 0.00 0.00 54.97 56.34 3gvk s GLU 814 Cb -0.11 -0.03 0.02 0.00 0.26 0.00 0.00 34.13 34.27 3gvk s GLU 814 CO 0.22 -0.12 -0.16 0.08 -0.54 0.00 0.00 175.26 174.73 3gvk s VAL 815 N 0.91 1.61 -0.10 3.70 1.01 -1.26 -5.06 120.40 121.21 3gvk s VAL 815 Ca -0.06 -0.70 0.00 0.00 0.00 0.00 0.00 61.98 61.22 3gvk s VAL 815 Cb -0.07 -1.47 -0.03 0.00 0.00 0.00 0.00 36.38 34.81 3gvk s VAL 815 CO -0.06 0.46 -0.09 -0.76 0.00 0.00 0.00 175.10 174.66 3gvk s LEU 816 N 1.05 3.03 -0.14 3.92 1.43 -1.26 -5.12 118.68 121.60 3gvk s LEU 816 Ca -0.05 -0.13 -0.02 0.00 -1.03 0.00 0.00 54.13 52.90 3gvk s LEU 816 Cb -0.15 -1.67 -0.03 0.00 0.03 0.00 0.00 46.19 44.37 3gvk s LEU 816 CO -0.03 0.28 -0.06 -0.04 0.23 0.00 0.00 176.35 176.73 3gvk s MET 817 N -0.33 3.49 0.00 1.70 -1.94 -1.26 -5.12 119.30 115.84 3gvk s MET 817 Ca 0.04 -0.55 0.00 0.00 -1.71 0.00 0.00 55.69 53.48 3gvk s MET 817 Cb -0.13 -2.82 0.00 0.00 2.01 0.00 0.00 34.83 33.89 3gvk s MET 817 CO 0.02 0.31 0.00 0.39 -0.01 0.00 0.00 175.02 175.73 3gvk n GLU 818 N 3.31 1.53 0.00 2.03 1.02 -1.26 -4.83 120.64 122.43 3gvk n GLU 818 Ca -0.18 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.96 3gvk n GLU 818 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.95 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 0.18 0.62 0.00 -1.26 -4.29 105.19 103.08 3gvk n GLY 819 Ca 0.00 -1.60 -0.09 0.00 0.00 0.00 0.00 46.02 44.34 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 0.54 -4.04 1.61 4.81 -2.09 -3.45 114.58 111.96 3gvk h GLU 820 Ca 0.00 -0.06 -0.12 0.00 -0.13 0.00 0.00 59.36 59.05 3gvk h GLU 820 Cb 0.00 -0.11 -0.16 0.00 0.63 0.00 0.00 28.75 29.12 3gvk h GLU 820 CO 0.00 0.44 -0.59 1.52 -0.73 0.00 0.00 179.01 179.65 3gvk s TYR 821 N -5.86 0.35 0.11 0.92 -0.85 -1.26 -5.17 117.35 105.60 3gvk s TYR 821 Ca -0.13 -0.80 0.02 0.00 -0.52 0.00 0.00 57.07 55.64 3gvk s TYR 821 Cb 0.10 -0.25 -0.04 0.00 0.38 0.00 0.00 41.96 42.15 3gvk s TYR 821 CO 0.73 -0.39 0.22 0.20 -1.52 0.00 0.00 175.55 174.79 3gvk s GLY 822 N -2.61 1.91 -0.07 5.49 0.00 -1.26 -4.86 107.32 105.93 3gvk s GLY 822 Ca 0.02 -0.99 -0.00 0.00 0.00 0.00 0.00 44.72 43.75 3gvk s GLY 822 CO -0.08 -0.98 -0.03 -0.12 0.00 0.00 0.00 173.10 171.89 3gvk s PHE 823 N -1.63 0.83 -0.24 1.90 5.36 -1.26 -5.11 117.98 117.83 3gvk s PHE 823 Ca 0.34 -0.27 -0.01 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 0.27 -0.29 -0.09 0.42 -1.46 0.00 0.00 175.22 174.07 3gvk s ILE 824 N 1.46 2.65 0.41 3.12 1.01 -1.26 -5.11 121.20 123.48 3gvk s ILE 824 Ca -0.02 -1.12 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 -0.03 0.20 0.16 -0.83 0.00 0.00 0.00 174.94 174.43 3gvk s GLY 825 N 1.28 2.65 -0.15 6.18 0.00 -1.26 -5.15 107.32 110.86 3gvk s GLY 825 Ca -0.01 -1.27 -0.00 0.00 0.00 0.00 0.00 44.72 43.44 3gvk s GLY 825 CO -0.06 -1.79 -0.07 1.25 0.00 0.00 0.00 173.10 172.44 3gvk s LYS 826 N -3.64 1.56 0.82 2.90 2.47 -1.26 -5.08 119.74 117.51 3gvk s LYS 826 Ca 0.25 -0.48 -0.13 0.00 -1.56 0.00 0.00 55.97 54.04 3gvk s LYS 826 Cb 0.02 -1.95 0.06 0.00 -1.46 0.00 0.00 37.83 34.50 3gvk s LYS 826 CO 0.16 -0.38 0.94 -1.13 0.16 0.00 0.00 175.35 175.11 3gvk n SER 827 N 4.87 0.05 -4.66 1.43 3.41 -1.26 -4.93 113.62 112.53 3gvk n SER 827 Ca -0.13 0.53 -0.43 0.00 -0.26 0.00 0.00 58.87 58.59 3gvk n SER 827 Cb 0.48 -1.40 -0.02 0.00 -0.26 0.00 0.00 64.21 63.01 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 -2.17 4.03 0.58 -1.33 1.01 -1.26 -4.90 121.20 117.16 3gvk s ILE 828 Ca 0.69 1.25 -0.20 0.00 0.00 0.00 0.00 60.65 62.38 3gvk s ILE 828 Cb -0.28 -3.80 -0.04 0.00 0.01 0.00 0.00 42.46 38.35 3gvk s ILE 828 CO 0.55 -0.11 1.33 -2.84 0.00 0.00 0.00 174.94 173.87 3gvk s PRO 829 N 3.68 2.95 -0.02 2.79 0.02 -1.26 -4.94 135.00 138.21 3gvk s PRO 829 Ca 0.61 2.15 0.21 0.00 0.02 0.00 0.00 61.00 64.00 3gvk s PRO 829 Cb -0.26 -2.10 -0.30 0.00 0.02 0.00 0.00 34.50 31.86 3gvk s PRO 829 CO 0.20 -1.32 0.61 0.25 -0.33 0.00 0.00 177.00 176.41 3gvk n THR 830 N -1.34 0.00 -0.08 0.99 -2.24 -1.26 -3.77 114.28 106.58 3gvk n THR 830 Ca 0.12 -0.33 -0.11 0.00 -2.27 0.00 0.00 64.05 61.46 3gvk n THR 830 Cb 0.46 0.34 -0.06 0.00 -2.10 0.00 0.00 70.33 68.97 3gvk n THR 830 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 3gvk h ASP 831 N 0.00 0.00 -2.96 3.42 3.04 -2.04 -3.44 116.42 114.44 3gvk h ASP 831 Ca 0.00 -0.28 -0.60 0.00 -3.24 0.00 0.00 57.03 52.91 3gvk h ASP 831 Cb 0.82 0.00 -0.39 0.00 -1.04 0.00 0.00 39.33 38.72 3gvk h ASP 831 CO 0.00 1.00 -0.81 0.21 -2.04 0.00 0.00 179.24 177.61 3gvk s ASN 832 N -6.15 3.09 0.56 4.15 2.47 -1.26 -4.98 114.94 112.81 3gvk s ASN 832 Ca -0.18 -2.69 0.24 0.00 0.42 0.00 0.00 52.86 50.65 3gvk s ASN 832 Cb 0.03 -0.77 1.59 0.00 -1.45 0.00 0.00 41.25 40.64 3gvk s ASN 832 CO 0.37 -0.24 2.20 -0.65 -3.72 0.00 0.00 177.10 175.06 3gvk h PRO 833 N 6.47 0.00 0.00 0.43 0.11 -1.87 -2.04 132.00 135.10 3gvk h PRO 833 Ca 0.08 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.19 3gvk h PRO 833 Cb 0.92 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.03 3gvk h PRO 833 CO 0.41 0.01 0.00 0.00 -0.21 0.00 0.00 178.00 178.22 3gvk n ALA 834 N -2.40 2.37 1.05 -0.75 0.00 -1.25 -2.43 120.51 117.10 3gvk n ALA 834 Ca -0.03 -0.14 0.12 0.00 0.00 0.00 0.00 53.44 53.39 3gvk n ALA 834 Cb 0.10 -1.42 0.13 0.00 0.00 0.00 0.00 19.45 18.26 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 0.77 0.71 3.70 0.00 0.00 -0.77 -1.61 105.19 108.00 3gvk n GLY 835 Ca 0.16 -0.65 -0.59 0.00 0.00 0.00 0.00 46.02 44.94 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 0.97 1.01 -3.61 1.61 7.27 -1.02 -4.92 117.38 118.69 3gvk n GLN 836 Ca 0.14 0.37 -0.02 0.00 0.07 0.00 0.00 57.00 57.55 3gvk n GLN 836 Cb 0.55 -2.04 -0.01 0.00 2.41 0.00 0.00 30.24 31.14 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 3.66 0.34 -0.03 3.69 1.70 -1.26 -0.63 118.95 126.42 3gvk s ARG 837 Ca 1.00 -0.15 0.05 0.00 -0.47 0.00 0.00 55.73 56.16 3gvk s ARG 837 Cb -1.12 0.14 -0.01 0.00 -0.57 0.00 0.00 34.95 33.39 3gvk s ARG 837 CO 0.67 -0.15 -0.17 0.96 -1.08 0.00 0.00 175.30 175.53 3gvk s ILE 838 N -2.42 1.37 -0.29 4.99 -0.00 -0.60 -4.96 121.20 119.29 3gvk s ILE 838 Ca 0.11 -0.70 -0.09 0.00 -0.00 0.00 0.00 60.65 59.97 3gvk s ILE 838 Cb 0.01 -1.17 -0.02 0.00 -0.00 0.00 0.00 42.46 41.29 3gvk s ILE 838 CO -0.04 0.39 0.13 -0.63 -0.00 0.00 0.00 174.94 174.79 3gvk s ILE 839 N -0.11 4.53 -0.16 8.37 1.01 -1.26 -1.74 121.20 131.84 3gvk s ILE 839 Ca 0.00 -0.32 -0.12 0.00 0.00 0.00 0.00 60.65 60.21 3gvk s ILE 839 Cb -0.10 -3.25 -0.05 0.00 0.01 0.00 0.00 42.46 39.08 3gvk s ILE 839 CO 0.01 0.16 0.24 -0.36 0.00 0.00 0.00 174.94 174.99 3gvk s PHE 840 N 1.62 3.47 -0.01 3.97 0.08 -0.31 -5.00 117.98 121.80 3gvk s PHE 840 Ca 0.05 0.53 0.00 0.00 0.12 0.00 0.00 56.93 57.63 3gvk s PHE 840 Cb -0.16 -2.25 0.00 0.00 -0.57 0.00 0.00 43.02 40.04 3gvk s PHE 840 CO 0.06 0.31 -0.01 0.00 -0.10 0.00 0.00 175.22 175.48 3gvk n GLY 842 N 3.27 -0.84 1.71 0.00 0.00 -0.21 -4.88 105.19 104.23 3gvk n GLY 842 Ca -0.15 -0.26 -0.15 0.00 0.00 0.00 0.00 46.02 45.46 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 1.16 3.89 0.18 -0.02 0.00 -1.25 -4.85 105.19 104.30 3gvk n GLY 843 Ca 0.19 -2.27 0.11 0.00 0.00 0.00 0.00 46.02 44.05 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 -5.29 1.61 9.09 -1.90 -3.47 114.58 114.62 3gvk h GLU 844 Ca -0.20 0.00 -0.49 0.00 0.05 0.00 0.00 59.36 58.72 3gvk h GLU 844 Cb 0.60 0.00 -0.14 0.00 -1.65 0.00 0.00 28.75 27.56 3gvk h GLU 844 CO 0.33 0.01 -0.61 0.20 0.05 0.00 0.00 179.01 178.99 3gvk s GLY 845 N -4.27 2.10 0.44 1.06 0.00 -1.26 -5.04 107.32 100.35 3gvk s GLY 845 Ca 0.04 -2.08 0.22 0.00 0.00 0.00 0.00 44.72 42.91 3gvk s GLY 845 CO 0.71 -1.85 1.90 -0.91 0.00 0.00 0.00 173.10 172.96 3gvk h THR 846 N 2.09 0.77 -3.22 0.90 1.35 -2.00 -3.43 112.91 109.37 3gvk h THR 846 Ca -0.41 -1.02 -0.53 0.00 -0.55 0.00 0.00 66.41 63.90 3gvk h THR 846 Cb 1.24 1.63 0.04 0.00 -1.73 0.00 0.00 68.15 69.33 3gvk h THR 846 CO 0.71 0.24 0.73 -0.55 -0.25 0.00 0.00 175.52 176.40 3gvk s SER 847 N -6.38 6.76 0.00 5.36 0.15 -1.26 -4.88 113.70 113.45 3gvk s SER 847 Ca -0.01 2.49 0.18 0.00 0.70 0.00 0.00 55.95 59.31 3gvk s SER 847 Cb 0.12 -2.61 0.87 0.00 -1.71 0.00 0.00 66.02 62.70 3gvk s SER 847 CO 0.65 -0.65 1.55 -1.54 1.20 0.00 0.00 173.24 174.45 3gvk n SER 848 N 3.01 0.00 0.29 5.45 3.41 -1.26 -1.82 113.62 122.70 3gvk n SER 848 Ca 0.09 0.15 0.16 0.00 -0.26 0.00 0.00 58.87 59.01 3gvk n SER 848 Cb 0.41 -0.34 0.87 0.00 -0.26 0.00 0.00 64.21 64.89 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 0.34 0.00 6.66 1.35 -1.93 -2.96 112.91 116.37 3gvk h THR 849 Ca 0.00 -0.32 0.00 0.00 -0.55 0.00 0.00 66.41 65.54 3gvk h THR 849 Cb 0.21 1.23 0.00 0.00 -1.73 0.00 0.00 68.15 67.86 3gvk h THR 849 CO 0.00 0.05 -0.35 0.71 -0.25 0.00 0.00 175.52 175.68 3gvk h THR 850 N 0.00 0.00 0.00 6.82 1.35 -1.67 -3.49 112.91 115.92 3gvk h THR 850 Ca -0.00 -0.68 0.00 0.00 -0.55 0.00 0.00 66.41 65.18 3gvk h THR 850 Cb 0.23 1.47 0.00 0.00 -1.73 0.00 0.00 68.15 68.11 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 1.25 1.32 3.76 5.82 0.00 -1.12 -3.93 105.19 112.29 3gvk n GLY 851 Ca 0.04 -0.94 -0.40 0.00 0.00 0.00 0.00 46.02 44.71 3gvk n GLY 851 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gvk n ALA 852 N -0.52 1.96 -2.74 4.61 0.00 -1.26 -4.64 120.51 117.92 3gvk n ALA 852 Ca 0.00 0.24 -0.17 0.00 0.00 0.00 0.00 53.44 53.51 3gvk n ALA 852 Cb 0.00 -2.38 -0.13 0.00 0.00 0.00 0.00 19.45 16.94 3gvk n ALA 852 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3gvk s GLN 853 N -2.45 0.73 -0.09 0.00 -0.21 -0.04 -1.05 119.66 116.54 3gvk s GLN 853 Ca 0.62 -0.72 0.02 0.00 0.02 0.00 0.00 55.36 55.30 3gvk s GLN 853 Cb -0.45 -0.66 0.01 0.00 1.00 0.00 0.00 33.01 32.91 3gvk s GLN 853 CO 0.57 0.15 -0.14 0.42 -2.12 0.00 0.00 175.29 174.17 3gvk s ILE 854 N -1.00 1.35 -0.17 1.08 1.01 -0.64 -0.43 121.20 122.40 3gvk s ILE 854 Ca -0.03 -0.58 0.01 0.00 0.00 0.00 0.00 60.65 60.06 3gvk s ILE 854 Cb -0.08 -1.23 0.02 0.00 0.01 0.00 0.00 42.46 41.17 3gvk s ILE 854 CO 0.01 0.41 -0.19 -0.89 0.00 0.00 0.00 174.94 174.27 3gvk s THR 855 N 0.81 2.15 -0.29 2.92 2.01 -0.53 -1.16 115.64 121.55 3gvk s THR 855 Ca -0.11 -0.92 -0.11 0.00 0.31 0.00 0.00 61.69 60.86 3gvk s THR 855 Cb -0.16 -1.90 -0.04 0.00 0.01 0.00 0.00 72.50 70.42 3gvk s THR 855 CO 0.02 0.53 0.19 -0.76 -0.69 0.00 0.00 174.62 173.92 3gvk s LEU 856 N 1.18 4.11 0.08 4.42 1.43 -0.71 -2.19 118.68 127.00 3gvk s LEU 856 Ca 0.02 -0.14 -0.20 0.00 -1.03 0.00 0.00 54.13 52.79 3gvk s LEU 856 Cb -0.14 -2.11 -0.07 0.00 0.03 0.00 0.00 46.19 43.91 3gvk s LEU 856 CO -0.10 -0.10 0.58 -0.31 0.23 0.00 0.00 176.35 176.65 3gvk s TYR 857 N 1.74 3.81 0.81 0.29 2.02 -0.13 -1.56 117.35 124.33 3gvk s TYR 857 Ca 0.07 1.29 -0.11 0.00 -0.37 0.00 0.00 57.07 57.94 3gvk s TYR 857 Cb -0.16 -2.51 0.08 0.00 -0.40 0.00 0.00 41.96 38.96 3gvk s TYR 857 CO 0.10 0.58 1.09 0.20 -1.57 0.00 0.00 175.55 175.96 3gvk s GLY 858 N -1.10 1.63 0.47 0.71 0.00 0.20 -3.54 107.32 105.69 3gvk s GLY 858 Ca 0.29 -0.12 0.19 0.00 0.00 0.00 0.00 44.72 45.07 3gvk s GLY 858 CO 0.19 0.30 2.01 0.00 0.00 0.00 0.00 173.10 175.60 3gvk h ALA 859 N -1.16 1.54 0.00 3.20 0.00 -1.92 -2.01 119.26 118.92 3gvk h ALA 859 Ca -0.47 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.28 3gvk h ALA 859 Cb 1.26 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3gvk h ALA 859 CO 0.58 0.22 0.00 -0.91 0.00 0.00 0.00 179.25 179.13 3gvk h ASN 860 N 0.00 0.00 -4.04 0.00 2.35 -1.90 -3.43 115.58 108.56 3gvk h ASN 860 Ca -0.00 0.00 -0.53 0.00 -0.55 0.00 0.00 56.30 55.22 3gvk h ASN 860 Cb 0.34 0.00 0.11 0.00 0.05 0.00 0.00 38.32 38.82 3gvk h ASN 860 CO 0.02 0.00 0.54 0.21 -1.65 0.00 0.00 177.43 176.55 3gvk s ASN 861 N -4.88 5.57 0.25 5.81 3.84 -0.81 -3.94 114.94 120.78 3gvk s ASN 861 Ca 0.06 2.54 -0.04 0.00 0.21 0.00 0.00 52.86 55.63 3gvk s ASN 861 Cb 0.09 -2.62 0.50 0.00 -0.55 0.00 0.00 41.25 38.68 3gvk s ASN 861 CO 0.51 -1.34 1.68 0.74 -2.79 0.00 0.00 177.10 175.90 3gvk h THR 862 N 1.50 0.47 -2.33 -5.21 2.02 -1.62 -2.57 112.91 105.17 3gvk h THR 862 Ca -0.50 -0.09 -0.75 0.00 0.77 0.00 0.00 66.41 65.84 3gvk h THR 862 Cb 1.28 0.20 -0.19 0.00 -1.74 0.00 0.00 68.15 67.69 3gvk h THR 862 CO 0.58 0.05 1.26 0.47 0.37 0.00 0.00 175.52 178.25 3gvk n ASP 863 N -5.17 5.28 -4.65 4.18 8.00 -1.26 -5.00 116.55 117.92 3gvk n ASP 863 Ca 0.15 -3.00 -0.42 0.00 0.71 0.00 0.00 54.79 52.23 3gvk n ASP 863 Cb 0.50 -1.53 -0.03 0.00 -0.02 0.00 0.00 41.12 40.03 3gvk n ASP 863 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 3gvk s SER 864 N 2.41 6.37 -1.76 -2.24 0.15 -0.97 -2.46 113.70 115.19 3gvk s SER 864 Ca 0.41 2.52 0.00 0.00 0.70 0.00 0.00 55.95 59.58 3gvk s SER 864 Cb -0.03 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.75 3gvk s SER 864 CO -0.01 -1.14 0.00 0.54 1.20 0.00 0.00 173.24 173.83 3gvk n ARG 865 N 7.63 -1.71 -2.19 5.44 1.74 -0.88 -4.93 116.66 121.76 3gvk n ARG 865 Ca 0.21 1.00 -0.37 0.00 -0.77 0.00 0.00 57.85 57.91 3gvk n ARG 865 Cb 0.42 -5.63 0.00 0.00 -1.02 0.00 0.00 32.46 26.23 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 -4.91 3.58 -0.09 5.56 3.52 -1.03 -4.80 118.95 120.78 3gvk s ARG 866 Ca 0.00 1.81 0.03 0.00 -0.13 0.00 0.00 55.73 57.44 3gvk s ARG 866 Cb 0.00 -2.31 0.01 0.00 -1.56 0.00 0.00 34.95 31.09 3gvk s ARG 866 CO 0.00 -0.71 -0.18 0.42 -0.81 0.00 0.00 175.30 174.02 3gvk s ILE 867 N -1.55 1.65 -0.21 4.11 1.01 -1.26 -0.96 121.20 124.00 3gvk s ILE 867 Ca 0.67 -0.77 -0.03 0.00 0.00 0.00 0.00 60.65 60.51 3gvk s ILE 867 Cb -0.29 -1.46 -0.01 0.00 0.01 0.00 0.00 42.46 40.70 3gvk s ILE 867 CO 0.35 0.47 -0.06 -0.69 0.00 0.00 0.00 174.94 175.01 3gvk s VAL 868 N 0.60 3.31 -0.29 2.92 1.01 -0.93 -4.99 120.40 122.04 3gvk s VAL 868 Ca -0.14 -0.52 -0.09 0.00 0.00 0.00 0.00 61.98 61.23 3gvk s VAL 868 Cb -0.17 -2.49 -0.02 0.00 0.00 0.00 0.00 36.38 33.71 3gvk s VAL 868 CO 0.04 0.44 0.12 -0.31 0.00 0.00 0.00 175.10 175.40 3gvk s TYR 869 N 1.33 3.15 -0.32 5.22 2.02 -1.26 -1.45 117.35 126.04 3gvk s TYR 869 Ca 0.04 -0.49 0.00 0.00 -0.37 0.00 0.00 57.07 56.26 3gvk s TYR 869 Cb -0.14 -2.31 0.10 0.00 -0.40 0.00 0.00 41.96 39.21 3gvk s TYR 869 CO -0.03 -0.40 0.09 1.21 -1.57 0.00 0.00 175.55 174.85 3gvk s ASN 870 N 1.62 4.20 0.19 2.29 2.47 0.42 -5.03 114.94 121.11 3gvk s ASN 870 Ca 0.05 -1.80 -0.03 0.00 0.42 0.00 0.00 52.86 51.50 3gvk s ASN 870 Cb -0.16 -1.06 -0.03 0.00 -1.45 0.00 0.00 41.25 38.55 3gvk s ASN 870 CO 0.06 -0.40 0.17 -0.83 -3.72 0.00 0.00 177.10 172.38 3gvk s GLY 871 N 1.39 1.19 0.00 1.21 0.00 -1.26 -0.87 107.32 108.99 3gvk s GLY 871 Ca 0.10 -1.51 0.27 0.00 0.00 0.00 0.00 44.72 43.59 3gvk s GLY 871 CO -0.20 -1.26 1.71 1.22 0.00 0.00 0.00 173.10 174.57 3gvk n ASP 872 N -0.25 0.33 -3.81 1.64 8.00 -1.26 -4.75 116.55 116.45 3gvk n ASP 872 Ca -0.00 -0.09 -0.12 0.00 0.71 0.00 0.00 54.79 55.28 3gvk n ASP 872 Cb 0.65 -0.10 -0.12 0.00 -0.02 0.00 0.00 41.12 41.53 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 -2.85 0.22 -0.31 -1.24 2.02 -1.26 -5.12 118.70 110.15 3gvk s GLU 873 Ca 0.17 0.24 0.03 0.00 0.02 0.00 0.00 54.97 55.43 3gvk s GLU 873 Cb 0.19 0.11 0.09 0.00 0.10 0.00 0.00 34.13 34.61 3gvk s GLU 873 CO 0.58 -0.03 0.02 -1.01 0.02 0.00 0.00 175.26 174.84 3gvk s HIS 874 N 0.06 3.37 -0.27 1.61 3.76 -1.26 -5.08 115.29 117.47 3gvk s HIS 874 Ca -0.00 -2.66 -0.01 0.00 -0.15 0.00 0.00 55.06 52.23 3gvk s HIS 874 Cb -0.01 -2.52 0.04 0.00 1.11 0.00 0.00 32.58 31.19 3gvk s HIS 874 CO 0.00 -0.92 -0.04 -0.51 -0.85 0.00 0.00 174.74 172.43 3gvk s LEU 875 N 1.04 3.54 -0.46 0.89 1.43 -1.26 -5.07 118.68 118.79 3gvk s LEU 875 Ca 0.06 -1.12 -0.18 0.00 -1.03 0.00 0.00 54.13 51.86 3gvk s LEU 875 Cb -0.19 -1.67 0.04 0.00 0.03 0.00 0.00 46.19 44.40 3gvk s LEU 875 CO -0.09 -0.20 0.52 -0.36 0.23 0.00 0.00 176.35 176.45 3gvk s PHE 876 N 1.26 3.13 0.02 0.29 0.08 -1.26 -5.05 117.98 116.44 3gvk s PHE 876 Ca -0.03 -0.47 -0.00 0.00 0.12 0.00 0.00 56.93 56.54 3gvk s PHE 876 Cb -0.18 -3.21 -0.04 0.00 -0.57 0.00 0.00 43.02 39.02 3gvk s PHE 876 CO -0.03 -0.85 0.11 -1.14 -0.10 0.00 0.00 175.22 173.21 3gvk s GLN 877 N 2.32 3.12 0.00 0.44 0.74 -1.26 -4.66 119.66 120.36 3gvk s GLN 877 Ca 0.13 -0.50 0.00 0.00 0.05 0.00 0.00 55.36 55.04 3gvk s GLN 877 Cb -0.18 -2.88 0.00 0.00 1.10 0.00 0.00 33.01 31.04 3gvk s GLN 877 CO 0.13 0.63 0.00 0.43 -0.55 0.00 0.00 175.29 175.93 3gvk n SER 878 N 0.93 0.00 -3.44 6.67 7.64 -1.26 -4.94 113.62 119.22 3gvk n SER 878 Ca -0.11 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.64 3gvk n SER 878 Cb 0.52 -0.10 -0.02 0.00 -1.01 0.00 0.00 64.21 63.59 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 -3.03 -1.57 0.58 -0.43 0.00 -1.26 -5.15 121.76 110.89 3gvk s ALA 879 Ca 0.00 0.53 -0.20 0.00 0.00 0.00 0.00 51.96 52.29 3gvk s ALA 879 Cb 0.00 0.80 -0.05 0.00 0.00 0.00 0.00 23.12 23.87 3gvk s ALA 879 CO 0.00 -0.73 1.08 -0.25 0.00 0.00 0.00 175.76 175.86 3gvk n ASP 880 N -0.26 1.33 -4.52 0.00 8.00 -1.26 -4.97 116.55 114.86 3gvk n ASP 880 Ca -0.17 0.86 -0.43 0.00 0.71 0.00 0.00 54.79 55.76 3gvk n ASP 880 Cb 0.64 -1.44 -0.05 0.00 -0.02 0.00 0.00 41.12 40.25 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 -1.43 4.61 0.13 2.53 1.01 -1.26 -5.04 120.40 120.94 3gvk s VAL 881 Ca 0.74 0.26 0.09 0.00 0.00 0.00 0.00 61.98 63.08 3gvk s VAL 881 Cb -0.43 -4.37 -0.04 0.00 0.00 0.00 0.00 36.38 31.54 3gvk s VAL 881 CO 0.48 -0.83 -0.22 -0.54 0.00 0.00 0.00 175.10 173.98 3gvk s LYS 882 N 3.37 1.24 0.53 2.72 1.02 -1.26 -5.13 119.74 122.24 3gvk s LYS 882 Ca 0.28 -1.28 -0.18 0.00 0.02 0.00 0.00 55.97 54.82 3gvk s LYS 882 Cb -0.13 -1.54 -0.06 0.00 -0.52 0.00 0.00 37.83 35.58 3gvk s LYS 882 CO 0.20 0.35 1.04 -1.25 -0.92 0.00 0.00 175.35 174.77 3gvk s PRO 883 N -2.15 3.63 0.17 -1.68 0.04 -1.26 -4.97 135.00 128.77 3gvk s PRO 883 Ca 0.11 1.23 -0.09 0.00 0.04 0.00 0.00 61.00 62.28 3gvk s PRO 883 Cb -0.09 -2.08 0.03 0.00 0.04 0.00 0.00 34.50 32.40 3gvk s PRO 883 CO 0.05 -0.56 1.57 -0.92 0.04 0.00 0.00 177.00 177.19 3gvk h TYR 884 N 1.00 1.14 -1.60 0.56 3.20 -2.00 -3.45 116.97 115.81 3gvk h TYR 884 Ca -0.48 -0.26 -0.49 0.00 3.14 0.00 0.00 58.73 60.64 3gvk h TYR 884 Cb 1.21 -0.27 -0.03 0.00 1.54 0.00 0.00 36.73 39.18 3gvk h TYR 884 CO 0.59 1.09 -0.39 -0.80 -1.64 0.00 0.00 178.16 177.00 3gvk s ASN 885 N -6.71 5.12 -0.29 -2.11 0.01 -1.26 -5.11 114.94 104.60 3gvk s ASN 885 Ca -0.11 -0.68 -0.11 0.00 -0.71 0.00 0.00 52.86 51.25 3gvk s ASN 885 Cb 0.13 -0.67 -0.05 0.00 0.41 0.00 0.00 41.25 41.06 3gvk s ASN 885 CO 0.87 -0.58 0.19 -0.62 -1.51 0.00 0.00 177.10 175.46 3gvk s ASP 886 N -4.10 6.01 -1.29 -1.22 2.15 -1.26 -4.52 116.67 112.45 3gvk s ASP 886 Ca 0.46 -0.06 -0.04 0.00 0.43 0.00 0.00 52.55 53.34 3gvk s ASP 886 Cb -0.04 -2.12 0.01 0.00 -0.30 0.00 0.00 42.92 40.47 3gvk s ASP 886 CO 0.28 -0.07 1.04 -3.20 -0.17 0.00 0.00 175.17 173.05 3gvk n ASN 887 N 5.06 -3.73 0.00 -0.34 5.15 -1.26 -4.90 115.26 115.24 3gvk n ASN 887 Ca -0.14 -0.62 0.00 0.00 -0.60 0.00 0.00 54.58 53.23 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 0.52 1.40 0.00 0.00 177.26 179.18 3gvk n VAL 888 N -4.50 0.00 -4.27 3.44 0.31 -1.26 -5.09 118.33 106.95 3gvk n VAL 888 Ca -0.16 0.00 -0.26 0.00 -0.01 0.00 0.00 64.34 63.91 3gvk n VAL 888 Cb 0.62 -0.48 -0.08 0.00 -0.91 0.00 0.00 33.84 32.99 3gvk n VAL 888 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 3gvk s THR 889 N -1.75 3.38 0.30 2.52 -4.23 -1.26 -5.14 115.64 109.46 3gvk s THR 889 Ca 0.00 -1.68 0.08 0.00 -1.18 0.00 0.00 61.69 58.92 3gvk s THR 889 Cb 0.00 -2.72 -0.04 0.00 1.34 0.00 0.00 72.50 71.08 3gvk s THR 889 CO 0.00 -0.18 0.11 0.00 -0.54 0.00 0.00 174.62 174.01 3gvk s ALA 890 N -1.88 3.43 -0.28 3.99 0.00 -1.26 -5.01 121.76 120.75 3gvk s ALA 890 Ca 0.27 -1.70 -0.21 0.00 0.00 0.00 0.00 51.96 50.32 3gvk s ALA 890 Cb -0.08 -0.86 -0.01 0.00 0.00 0.00 0.00 23.12 22.17 3gvk s ALA 890 CO 0.17 0.14 0.67 -0.51 0.00 0.00 0.00 175.76 176.23 3gvk s LEU 891 N -3.80 4.09 0.00 0.00 1.43 -1.26 -4.97 118.68 114.17 3gvk s LEU 891 Ca 0.35 0.64 0.00 0.00 -1.03 0.00 0.00 54.13 54.09 3gvk s LEU 891 Cb -0.05 -2.90 0.00 0.00 0.03 0.00 0.00 46.19 43.28 3gvk s LEU 891 CO 0.22 -0.45 0.00 0.61 0.23 0.00 0.00 176.35 176.97 3gvk n GLY 892 N 4.22 -1.72 3.84 -3.19 0.00 -1.26 -4.95 105.19 102.12 3gvk n GLY 892 Ca 0.00 -1.28 -0.07 0.00 0.00 0.00 0.00 46.02 44.67 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 -2.85 0.03 0.47 -0.02 0.00 -0.58 -4.97 107.32 99.40 3gvk s GLY 893 Ca 0.00 -0.40 0.16 0.00 0.00 0.00 0.00 44.72 44.48 3gvk s GLY 893 CO 0.00 -0.09 2.01 -2.55 0.00 0.00 0.00 173.10 172.47 3gvk h PRO 894 N 2.00 0.26 -0.39 2.90 0.11 -2.02 -0.62 132.00 134.25 3gvk h PRO 894 Ca -0.23 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.86 3gvk h PRO 894 Cb 1.25 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3gvk h PRO 894 CO 0.28 0.17 0.00 0.43 -0.21 0.00 0.00 178.00 178.68 3gvk n SER 895 N -4.46 3.08 -3.15 -2.05 7.64 -1.26 -4.62 113.62 108.79 3gvk n SER 895 Ca 0.07 -1.93 -0.21 0.00 1.01 0.00 0.00 58.87 57.81 3gvk n SER 895 Cb 0.36 -0.26 -0.05 0.00 -1.01 0.00 0.00 64.21 63.25 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 0.87 0.11 -4.76 6.43 3.02 -0.25 -5.12 115.26 115.57 3gvk n ASN 896 Ca 0.14 -2.84 -0.40 0.00 -0.03 0.00 0.00 54.58 51.46 3gvk n ASN 896 Cb 0.47 -0.42 -0.05 0.00 -0.61 0.00 0.00 39.78 39.17 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 -1.38 4.46 0.35 3.52 0.52 -1.14 -1.52 118.95 123.76 3gvk s ARG 897 Ca 0.36 1.01 -0.26 0.00 -0.52 0.00 0.00 55.73 56.32 3gvk s ARG 897 Cb 0.23 -3.34 -0.09 0.00 0.52 0.00 0.00 34.95 32.27 3gvk s ARG 897 CO -0.11 0.36 1.06 -0.06 0.02 0.00 0.00 175.30 176.57 3gvk s PHE 898 N -0.29 3.42 0.22 -0.53 0.08 -1.26 -4.96 117.98 114.66 3gvk s PHE 898 Ca 0.36 1.68 -0.08 0.00 0.12 0.00 0.00 56.93 59.01 3gvk s PHE 898 Cb -0.20 -3.18 0.18 0.00 -0.57 0.00 0.00 43.02 39.25 3gvk s PHE 898 CO 0.22 -0.54 1.85 1.79 -0.10 0.00 0.00 175.22 178.44 3gvk h THR 899 N 2.58 1.24 -2.67 0.64 1.35 -2.04 -3.47 112.91 110.55 3gvk h THR 899 Ca -0.48 -0.59 0.11 0.00 -0.55 0.00 0.00 66.41 64.91 3gvk h THR 899 Cb 1.21 0.10 -0.02 0.00 -1.73 0.00 0.00 68.15 67.72 3gvk h THR 899 CO 0.64 0.27 0.51 1.07 -0.25 0.00 0.00 175.52 177.76 3gvk n THR 900 N -4.39 0.00 -4.39 6.82 5.66 -1.26 -5.16 114.28 111.55 3gvk n THR 900 Ca 0.08 -0.67 -0.25 0.00 -3.05 0.00 0.00 64.05 60.16 3gvk n THR 900 Cb 0.09 0.83 -0.17 0.00 -1.55 0.00 0.00 70.33 69.53 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 -2.05 1.28 -0.38 1.79 0.00 -1.26 -5.12 121.76 116.02 3gvk s ALA 901 Ca 0.21 -0.45 -0.21 0.00 0.00 0.00 0.00 51.96 51.52 3gvk s ALA 901 Cb -0.03 -0.66 0.01 0.00 0.00 0.00 0.00 23.12 22.44 3gvk s ALA 901 CO 0.07 -0.03 0.64 0.71 0.00 0.00 0.00 175.76 177.15 3gvk s TYR 902 N 0.95 3.12 0.06 0.00 2.02 -1.26 -5.04 117.35 117.20 3gvk s TYR 902 Ca -0.09 0.21 0.06 0.00 -0.37 0.00 0.00 57.07 56.88 3gvk s TYR 902 Cb -0.15 -3.21 -0.03 0.00 -0.40 0.00 0.00 41.96 38.17 3gvk s TYR 902 CO 0.00 -0.71 -0.17 -0.51 -1.57 0.00 0.00 175.55 172.59 3gvk s LEU 903 N 2.75 2.22 0.39 -1.29 1.43 -1.26 -5.03 118.68 117.89 3gvk s LEU 903 Ca 0.24 -0.56 0.21 0.00 -1.03 0.00 0.00 54.13 52.99 3gvk s LEU 903 Cb -0.14 -0.72 0.57 0.00 0.03 0.00 0.00 46.19 45.93 3gvk s LEU 903 CO 0.16 0.04 1.67 1.23 0.23 0.00 0.00 176.35 179.69 3gvk h GLY 904 N 4.59 0.00 -2.59 -3.19 0.00 -2.07 -3.46 103.07 96.34 3gvk h GLY 904 Ca -0.41 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 46.82 3gvk h GLY 904 CO 0.42 0.00 -0.26 -1.35 0.00 0.00 0.00 176.54 175.35 3gvk s SER 905 N -6.29 -0.01 0.70 0.19 1.04 -1.26 -5.16 113.70 102.92 3gvk s SER 905 Ca 0.02 -0.90 -0.16 0.00 0.48 0.00 0.00 55.95 55.39 3gvk s SER 905 Cb 0.09 0.48 0.01 0.00 0.10 0.00 0.00 66.02 66.70 3gvk s SER 905 CO 0.68 -0.96 1.15 0.59 0.98 0.00 0.00 173.24 175.68 3gvk n ASN 906 N -0.27 1.29 -4.63 7.02 3.02 -1.26 -4.94 115.26 115.48 3gvk n ASN 906 Ca -0.05 0.73 -0.40 0.00 -0.03 0.00 0.00 54.58 54.83 3gvk n ASN 906 Cb 0.63 -1.49 0.03 0.00 -0.61 0.00 0.00 39.78 38.34 3gvk n ASN 906 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 3gvk n PRO 907 N -2.12 1.25 -3.44 3.52 -0.02 -1.26 -4.97 135.00 127.95 3gvk n PRO 907 Ca 0.14 0.46 -0.42 0.00 -2.02 0.00 0.00 63.50 61.66 3gvk n PRO 907 Cb 0.49 -2.16 -0.10 0.00 -0.02 0.00 0.00 33.50 31.71 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 -1.38 5.22 -0.07 4.25 -1.09 -1.26 -5.05 121.20 121.83 3gvk s ILE 908 Ca 0.68 -0.42 -0.01 0.00 -2.23 0.00 0.00 60.65 58.68 3gvk s ILE 908 Cb -0.48 -3.89 0.03 0.00 -1.58 0.00 0.00 42.46 36.54 3gvk s ILE 908 CO 0.53 -0.23 -0.02 -0.69 -1.23 0.00 0.00 174.94 173.29 3gvk s VAL 909 N 1.81 0.50 -0.30 2.92 1.01 -1.26 -5.29 120.40 119.79 3gvk s VAL 909 Ca 0.07 0.01 0.02 0.00 0.00 0.00 0.00 61.98 62.08 3gvk s VAL 909 Cb -0.18 -0.60 0.02 0.00 0.00 0.00 0.00 36.38 35.62 3gvk s VAL 909 CO 0.11 0.26 0.58 0.35 0.00 0.00 0.00 175.10 176.40