#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n4k n GLY 237 N 0.00 0.60 3.77 -0.02 0.00 0.35 -5.00 105.19 104.90 1n4k n GLY 237 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1n4k n GLY 237 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1n4k s ASP 238 N -2.32 6.35 -0.12 1.61 1.01 -1.26 -4.72 116.67 117.22 1n4k s ASP 238 Ca 0.00 2.24 -0.02 0.00 0.71 0.00 0.00 52.55 55.47 1n4k s ASP 238 Cb 0.00 -2.60 -0.03 0.00 1.01 0.00 0.00 42.92 41.30 1n4k s ASP 238 CO 0.00 -0.79 -0.04 -0.69 0.21 0.00 0.00 175.17 173.86 1n4k s VAL 239 N -1.57 3.95 0.26 -1.27 1.01 -1.26 -0.36 120.40 121.15 1n4k s VAL 239 Ca 0.62 -0.36 -0.07 0.00 0.00 0.00 0.00 61.98 62.17 1n4k s VAL 239 Cb -0.27 -2.68 -0.01 0.00 0.00 0.00 0.00 36.38 33.41 1n4k s VAL 239 CO 0.33 0.54 0.38 0.68 0.00 0.00 0.00 175.10 177.04 1n4k s VAL 240 N -0.21 0.00 0.03 2.92 -7.23 0.53 -2.33 120.40 114.10 1n4k s VAL 240 Ca 0.04 -1.62 0.06 0.00 -1.81 0.00 0.00 61.98 58.65 1n4k s VAL 240 Cb -0.13 -2.39 -0.03 0.00 0.56 0.00 0.00 36.38 34.39 1n4k s VAL 240 CO 0.02 0.00 -0.16 -0.13 -0.31 0.00 0.00 175.10 174.53 1n4k s ARG 241 N -3.82 2.20 -0.37 4.82 0.52 -0.21 -0.69 118.95 121.40 1n4k s ARG 241 Ca 0.29 -0.91 -0.06 0.00 -0.52 0.00 0.00 55.73 54.53 1n4k s ARG 241 Cb 0.01 -2.26 0.06 0.00 0.52 0.00 0.00 34.95 33.29 1n4k s ARG 241 CO 0.13 0.56 0.17 -0.51 0.02 0.00 0.00 175.30 175.66 1n4k s LEU 242 N -1.37 4.72 -0.29 2.53 1.43 -1.26 -1.41 118.68 123.03 1n4k s LEU 242 Ca 0.15 -1.41 -0.13 0.00 -1.03 0.00 0.00 54.13 51.70 1n4k s LEU 242 Cb -0.11 -1.89 -0.04 0.00 0.03 0.00 0.00 46.19 44.19 1n4k s LEU 242 CO 0.05 -0.43 0.29 0.12 0.23 0.00 0.00 176.35 176.61 1n4k s PHE 243 N 1.36 3.23 -0.42 0.29 5.36 -0.85 0.34 117.98 127.29 1n4k s PHE 243 Ca 0.01 0.15 -0.29 0.00 -0.96 0.00 0.00 56.93 55.85 1n4k s PHE 243 Cb -0.21 -2.50 0.01 0.00 -0.34 0.00 0.00 43.02 39.98 1n4k s PHE 243 CO 0.01 -0.25 1.37 -1.58 -1.46 0.00 0.00 175.22 173.31 1n4k s HIS 244 N 1.90 2.47 0.16 10.12 5.65 0.11 -0.64 115.29 135.06 1n4k s HIS 244 Ca 0.10 0.68 -0.22 0.00 0.25 0.00 0.00 55.06 55.87 1n4k s HIS 244 Cb -0.16 -4.32 0.05 0.00 -1.18 0.00 0.00 32.58 26.96 1n4k s HIS 244 CO 0.11 -1.86 1.62 0.00 -0.65 0.00 0.00 174.74 173.95 1n4k h ALA 245 N 10.44 -0.13 -0.27 1.58 0.00 -1.76 0.65 119.26 129.76 1n4k h ALA 245 Ca -0.27 0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.63 1n4k h ALA 245 Cb 1.10 0.57 -0.00 0.00 0.00 0.00 0.00 17.79 19.45 1n4k h ALA 245 CO 1.09 -0.68 -0.25 1.49 0.00 0.00 0.00 179.25 180.90 1n4k h GLU 246 N -0.24 0.64 0.00 0.00 4.57 -1.80 -3.21 114.58 114.54 1n4k h GLU 246 Ca 0.15 -0.33 -0.07 0.00 -1.18 0.00 0.00 59.36 57.93 1n4k h GLU 246 Cb 0.49 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.08 1n4k h GLU 246 CO -0.45 0.94 -0.32 1.96 -1.18 0.00 0.00 179.01 179.97 1n4k h GLN 247 N 0.37 0.00 -5.10 1.92 1.08 -1.85 -3.47 115.11 108.06 1n4k h GLN 247 Ca 0.04 0.00 -0.32 0.00 -1.45 0.00 0.00 58.65 56.92 1n4k h GLN 247 Cb 0.81 0.00 0.13 0.00 -0.05 0.00 0.00 27.48 28.37 1n4k h GLN 247 CO 0.06 0.32 -0.60 0.39 -0.95 0.00 0.00 178.83 178.05 1n4k n GLU 248 N -3.24 -6.46 -3.98 1.46 -0.58 0.22 -5.02 120.64 103.05 1n4k n GLU 248 Ca 0.02 0.71 -0.11 0.00 -0.42 0.00 0.00 57.16 57.36 1n4k n GLU 248 Cb 0.61 -5.37 -0.12 0.00 -0.57 0.00 0.00 31.44 25.99 1n4k n GLU 248 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 1n4k s LYS 249 N -5.85 0.27 0.24 3.49 1.02 -1.16 -4.84 119.74 112.91 1n4k s LYS 249 Ca 0.36 -0.44 -0.18 0.00 0.02 0.00 0.00 55.97 55.73 1n4k s LYS 249 Cb -0.16 -0.03 -0.08 0.00 -0.52 0.00 0.00 37.83 37.04 1n4k s LYS 249 CO 0.62 -0.01 0.71 -0.06 -0.92 0.00 0.00 175.35 175.69 1n4k s PHE 250 N -0.96 3.57 -0.25 3.18 0.40 -1.26 0.08 117.98 122.74 1n4k s PHE 250 Ca -0.09 1.30 -0.29 0.00 -0.60 0.00 0.00 56.93 57.25 1n4k s PHE 250 Cb -0.07 -2.57 -0.01 0.00 0.51 0.00 0.00 43.02 40.89 1n4k s PHE 250 CO -0.00 0.28 1.32 -1.17 0.70 0.00 0.00 175.22 176.35 1n4k s LEU 251 N -2.24 3.97 0.16 -0.37 2.96 0.15 -2.59 118.68 120.72 1n4k s LEU 251 Ca 0.45 1.38 0.04 0.00 -0.22 0.00 0.00 54.13 55.78 1n4k s LEU 251 Cb -0.15 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 42.96 1n4k s LEU 251 CO 0.20 -1.00 -0.07 0.42 -1.32 0.00 0.00 176.35 174.58 1n4k s THR 252 N 4.19 1.05 -0.08 3.68 -4.23 0.55 -4.57 115.64 116.24 1n4k s THR 252 Ca 0.57 -2.04 0.01 0.00 -1.18 0.00 0.00 61.69 59.05 1n4k s THR 252 Cb -0.19 -1.96 0.02 0.00 1.34 0.00 0.00 72.50 71.71 1n4k s THR 252 CO 0.21 -0.64 -0.08 0.00 -0.54 0.00 0.00 174.62 173.57 1n4k s ASP 254 N 1.13 -0.10 -0.05 0.00 -1.08 -0.84 -4.78 116.67 110.96 1n4k s ASP 254 Ca -0.06 -0.90 -0.13 0.00 -0.52 0.00 0.00 52.55 50.94 1n4k s ASP 254 Cb -0.14 0.61 -0.05 0.00 -1.46 0.00 0.00 42.92 41.88 1n4k s ASP 254 CO -0.01 -1.18 0.35 -0.70 0.52 0.00 0.00 175.17 174.14 1n4k s GLU 255 N -3.97 3.89 -0.14 4.34 2.12 -1.26 -0.83 118.70 122.85 1n4k s GLU 255 Ca 0.21 0.27 -0.10 0.00 0.36 0.00 0.00 54.97 55.71 1n4k s GLU 255 Cb -0.02 -3.25 0.04 0.00 0.26 0.00 0.00 34.13 31.17 1n4k s GLU 255 CO 0.09 0.63 0.36 -1.58 -0.54 0.00 0.00 175.26 174.22 1n4k s HIS 256 N -0.80 -0.45 -1.58 5.30 2.46 0.15 -4.84 115.29 115.52 1n4k s HIS 256 Ca 0.21 1.04 -0.04 0.00 0.47 0.00 0.00 55.06 56.74 1n4k s HIS 256 Cb -0.15 0.16 0.01 0.00 -0.13 0.00 0.00 32.58 32.47 1n4k s HIS 256 CO 0.10 -0.25 0.49 -2.13 -2.47 0.00 0.00 174.74 170.49 1n4k n ARG 257 N 3.55 -4.25 -3.58 2.88 0.63 -1.26 -1.60 116.66 113.03 1n4k n ARG 257 Ca -0.18 0.90 -0.23 0.00 -0.92 0.00 0.00 57.85 57.42 1n4k n ARG 257 Cb 0.56 -5.73 0.08 0.00 0.45 0.00 0.00 32.46 27.82 1n4k n ARG 257 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1n4k n LYS 258 N -3.83 -7.38 -3.68 -0.14 5.02 -1.26 -5.00 118.16 101.88 1n4k n LYS 258 Ca -0.13 0.81 -0.15 0.00 -2.02 0.00 0.00 58.31 56.82 1n4k n LYS 258 Cb 0.63 -5.83 -0.08 0.00 -0.02 0.00 0.00 35.03 29.73 1n4k n LYS 258 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1n4k s LYS 259 N -6.08 0.77 0.01 1.97 1.02 -0.63 -5.14 119.74 111.66 1n4k s LYS 259 Ca 0.42 0.05 -0.25 0.00 0.02 0.00 0.00 55.97 56.21 1n4k s LYS 259 Cb -0.19 0.35 -0.05 0.00 -0.52 0.00 0.00 37.83 37.43 1n4k s LYS 259 CO 0.74 -0.21 0.78 -0.65 -0.92 0.00 0.00 175.35 175.09 1n4k s GLN 260 N -1.08 4.49 0.06 1.68 -1.52 -1.26 0.33 119.66 122.36 1n4k s GLN 260 Ca -0.11 1.07 0.04 0.00 -1.95 0.00 0.00 55.36 54.41 1n4k s GLN 260 Cb -0.03 -3.40 -0.03 0.00 -0.22 0.00 0.00 33.01 29.33 1n4k s GLN 260 CO 0.05 0.17 -0.12 -1.01 -0.25 0.00 0.00 175.29 174.14 1n4k s HIS 261 N 0.33 1.03 -0.09 0.91 3.76 -0.01 -4.73 115.29 116.49 1n4k s HIS 261 Ca 0.40 -0.49 0.00 0.00 -0.15 0.00 0.00 55.06 54.82 1n4k s HIS 261 Cb -0.20 -0.59 -0.03 0.00 1.11 0.00 0.00 32.58 32.88 1n4k s HIS 261 CO 0.22 0.01 -0.08 0.08 -0.85 0.00 0.00 174.74 174.12 1n4k s VAL 262 N -1.43 3.59 0.17 -0.90 1.01 -1.26 -1.98 120.40 119.61 1n4k s VAL 262 Ca -0.04 -0.50 -0.24 0.00 0.00 0.00 0.00 61.98 61.20 1n4k s VAL 262 Cb -0.09 -2.49 0.07 0.00 0.00 0.00 0.00 36.38 33.87 1n4k s VAL 262 CO 0.01 0.57 0.99 0.72 0.00 0.00 0.00 175.10 177.39 1n4k s PHE 263 N -0.46 -0.06 -0.20 5.22 -0.12 0.00 -4.36 117.98 118.00 1n4k s PHE 263 Ca 0.07 -0.28 -0.11 0.00 -0.05 0.00 0.00 56.93 56.55 1n4k s PHE 263 Cb -0.12 0.66 -0.05 0.00 -0.63 0.00 0.00 43.02 42.88 1n4k s PHE 263 CO 0.02 -0.87 0.19 -0.51 -0.05 0.00 0.00 175.22 174.00 1n4k s LEU 264 N -3.08 4.20 -0.22 -1.99 1.43 -0.32 -0.33 118.68 118.38 1n4k s LEU 264 Ca 0.15 0.30 -0.14 0.00 -1.03 0.00 0.00 54.13 53.40 1n4k s LEU 264 Cb -0.02 -2.19 -0.04 0.00 0.03 0.00 0.00 46.19 43.97 1n4k s LEU 264 CO 0.03 0.12 0.34 -0.60 0.23 0.00 0.00 176.35 176.47 1n4k s ARG 265 N 0.57 4.14 0.06 1.70 3.52 -1.07 -1.63 118.95 126.24 1n4k s ARG 265 Ca 0.11 0.08 -0.30 0.00 -0.13 0.00 0.00 55.73 55.48 1n4k s ARG 265 Cb -0.12 -3.55 -0.05 0.00 -1.56 0.00 0.00 34.95 29.68 1n4k s ARG 265 CO 0.01 -0.03 1.01 0.99 -0.81 0.00 0.00 175.30 176.47 1n4k s THR 266 N 1.30 4.55 0.07 4.11 2.01 -0.30 -4.27 115.64 123.12 1n4k s THR 266 Ca 0.16 1.95 0.07 0.00 0.31 0.00 0.00 61.69 64.18 1n4k s THR 266 Cb -0.14 -4.25 -0.04 0.00 0.01 0.00 0.00 72.50 68.08 1n4k s THR 266 CO 0.07 0.22 -0.13 0.28 -0.69 0.00 0.00 174.62 174.37 1n4k s THR 267 N 0.56 3.13 -1.59 -0.82 -1.32 -1.26 -4.87 115.64 109.48 1n4k s THR 267 Ca 0.51 -1.19 0.25 0.00 -1.21 0.00 0.00 61.69 60.05 1n4k s THR 267 Cb -0.24 -2.40 0.16 0.00 -1.51 0.00 0.00 72.50 68.52 1n4k s THR 267 CO 0.29 0.24 1.46 0.61 -2.21 0.00 0.00 174.62 175.01 1n4k n GLY 268 N 1.15 -0.70 3.71 6.08 0.00 -1.26 -4.94 105.19 109.23 1n4k n GLY 268 Ca -0.15 -0.42 -0.31 0.00 0.00 0.00 0.00 46.02 45.14 1n4k n GLY 268 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1n4k s ARG 269 N -2.63 1.43 -0.35 1.61 0.52 -1.26 -4.93 118.95 113.34 1n4k s ARG 269 Ca 0.20 1.30 0.09 0.00 -0.52 0.00 0.00 55.73 56.79 1n4k s ARG 269 Cb 0.19 -1.79 0.73 0.00 0.52 0.00 0.00 34.95 34.59 1n4k s ARG 269 CO 0.58 -2.26 1.82 1.04 0.02 0.00 0.00 175.30 176.49 1n4k n GLN 270 N -3.96 3.39 -3.21 3.54 6.02 -1.26 -4.59 117.38 117.31 1n4k n GLN 270 Ca 0.10 -3.08 -0.03 0.00 -0.01 0.00 0.00 57.00 53.98 1n4k n GLN 270 Cb 0.53 -2.20 -0.02 0.00 1.02 0.00 0.00 30.24 29.57 1n4k n GLN 270 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1n4k s SER 271 N -1.15 -1.01 0.38 1.08 0.15 -1.26 -5.05 113.70 106.83 1n4k s SER 271 Ca 0.55 -1.03 0.21 0.00 0.70 0.00 0.00 55.95 56.38 1n4k s SER 271 Cb 0.45 1.68 1.26 0.00 -1.71 0.00 0.00 66.02 67.70 1n4k s SER 271 CO 0.13 -0.18 1.62 0.00 1.20 0.00 0.00 173.24 176.01 1n4k h ALA 272 N 6.84 2.23 0.00 5.45 0.00 -1.88 0.23 119.26 132.13 1n4k h ALA 272 Ca 0.05 0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1n4k h ALA 272 Cb 1.15 0.23 0.00 0.00 0.00 0.00 0.00 17.79 19.17 1n4k h ALA 272 CO 0.11 -0.90 0.00 0.25 0.00 0.00 0.00 179.25 178.71 1n4k n THR 273 N -5.03 0.45 0.97 0.00 -2.24 -1.26 -2.86 114.28 104.30 1n4k n THR 273 Ca 0.35 0.11 0.12 0.00 -2.27 0.00 0.00 64.05 62.37 1n4k n THR 273 Cb 1.20 -0.75 0.27 0.00 -2.10 0.00 0.00 70.33 68.95 1n4k n THR 273 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1n4k n SER 274 N -1.40 0.47 -3.50 3.42 7.64 0.81 -4.45 113.62 116.61 1n4k n SER 274 Ca 0.07 -0.17 -0.40 0.00 1.01 0.00 0.00 58.87 59.38 1n4k n SER 274 Cb 0.21 0.19 -0.02 0.00 -1.01 0.00 0.00 64.21 63.59 1n4k n SER 274 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1n4k n ALA 275 N -1.52 6.72 -2.57 -0.43 0.00 -1.14 -4.92 120.51 116.65 1n4k n ALA 275 Ca 0.05 -3.76 -0.41 0.00 0.00 0.00 0.00 53.44 49.32 1n4k n ALA 275 Cb 0.34 -3.32 -0.07 0.00 0.00 0.00 0.00 19.45 16.40 1n4k n ALA 275 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1n4k s THR 276 N 1.94 4.94 -0.00 0.00 -4.23 -1.26 -4.91 115.64 112.11 1n4k s THR 276 Ca 0.59 0.57 0.07 0.00 -1.18 0.00 0.00 61.69 61.75 1n4k s THR 276 Cb 0.16 -4.02 -0.02 0.00 1.34 0.00 0.00 72.50 69.95 1n4k s THR 276 CO -0.07 -0.24 -0.23 -0.55 -0.54 0.00 0.00 174.62 172.98 1n4k s SER 277 N 1.75 3.31 0.63 3.99 0.15 -1.26 -5.00 113.70 117.26 1n4k s SER 277 Ca 0.23 -0.45 0.42 0.00 0.70 0.00 0.00 55.95 56.85 1n4k s SER 277 Cb -0.15 -0.44 2.23 0.00 -1.71 0.00 0.00 66.02 65.95 1n4k s SER 277 CO 0.14 0.30 2.28 0.77 1.20 0.00 0.00 173.24 177.93 1n4k h SER 278 N 5.22 0.00 -0.02 5.45 4.64 -1.97 -0.24 113.55 126.63 1n4k h SER 278 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1n4k h SER 278 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1n4k h SER 278 CO 0.47 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.72 1n4k n LYS 279 N -3.01 1.11 -0.11 4.77 5.02 -1.26 -3.06 118.16 121.62 1n4k n LYS 279 Ca -0.02 -0.16 0.03 0.00 -2.02 0.00 0.00 58.31 56.14 1n4k n LYS 279 Cb 0.09 -1.35 0.09 0.00 -0.02 0.00 0.00 35.03 33.85 1n4k n LYS 279 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1n4k n ALA 280 N -0.67 2.12 -2.69 7.82 0.00 -0.10 -1.62 120.51 125.38 1n4k n ALA 280 Ca 0.16 -1.12 -0.40 0.00 0.00 0.00 0.00 53.44 52.08 1n4k n ALA 280 Cb 0.11 -0.26 -0.05 0.00 0.00 0.00 0.00 19.45 19.25 1n4k n ALA 280 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1n4k s LEU 281 N -1.06 4.22 -0.03 0.00 1.43 -1.17 -4.40 118.68 117.66 1n4k s LEU 281 Ca 0.14 0.99 0.06 0.00 -1.03 0.00 0.00 54.13 54.29 1n4k s LEU 281 Cb 0.08 -2.97 -0.01 0.00 0.03 0.00 0.00 46.19 43.31 1n4k s LEU 281 CO 0.09 -0.21 -0.21 0.26 0.23 0.00 0.00 176.35 176.51 1n4k s TRP 282 N 1.44 1.98 -0.25 0.29 0.52 0.13 -2.27 118.94 120.78 1n4k s TRP 282 Ca 0.32 -0.46 -0.10 0.00 0.02 0.00 0.00 56.10 55.89 1n4k s TRP 282 Cb -0.16 -1.29 -0.05 0.00 -1.15 0.00 0.00 33.47 30.82 1n4k s TRP 282 CO 0.13 -0.10 0.15 -2.00 0.02 0.00 0.00 176.95 175.15 1n4k s GLU 283 N -0.32 3.95 0.12 4.98 2.12 0.96 -0.35 118.70 130.15 1n4k s GLU 283 Ca 0.03 -0.33 -0.30 0.00 0.36 0.00 0.00 54.97 54.73 1n4k s GLU 283 Cb -0.10 -3.52 -0.06 0.00 0.26 0.00 0.00 34.13 30.71 1n4k s GLU 283 CO 0.01 -0.05 1.01 0.08 -0.54 0.00 0.00 175.26 175.77 1n4k s VAL 284 N 1.34 4.34 -0.11 3.70 1.01 0.51 -1.01 120.40 130.18 1n4k s VAL 284 Ca 0.07 1.93 0.03 0.00 0.00 0.00 0.00 61.98 64.00 1n4k s VAL 284 Cb -0.15 -4.23 0.01 0.00 0.00 0.00 0.00 36.38 32.01 1n4k s VAL 284 CO 0.06 0.29 -0.20 -1.61 0.00 0.00 0.00 175.10 173.64 1n4k s GLU 285 N 0.03 2.68 -0.32 2.72 2.02 -0.31 -0.50 118.70 125.02 1n4k s GLU 285 Ca 0.48 -0.74 -0.25 0.00 0.02 0.00 0.00 54.97 54.48 1n4k s GLU 285 Cb -0.25 -2.14 0.01 0.00 0.10 0.00 0.00 34.13 31.85 1n4k s GLU 285 CO 0.31 0.04 0.89 0.14 0.02 0.00 0.00 175.26 176.66 1n4k s VAL 286 N 0.69 4.68 -0.00 2.63 -7.23 -1.26 -1.19 120.40 118.71 1n4k s VAL 286 Ca -0.12 1.34 -0.24 0.00 -1.81 0.00 0.00 61.98 61.15 1n4k s VAL 286 Cb -0.16 -4.26 -0.17 0.00 0.56 0.00 0.00 36.38 32.35 1n4k s VAL 286 CO 0.02 -0.37 1.19 0.58 -0.31 0.00 0.00 175.10 176.22 1n4k h VAL 287 N 5.68 0.82 0.00 1.32 2.07 -1.95 -3.49 116.25 120.70 1n4k h VAL 287 Ca -0.23 -0.74 0.00 0.00 0.82 0.00 0.00 66.70 66.55 1n4k h VAL 287 Cb 1.08 1.21 0.00 0.00 -1.52 0.00 0.00 31.29 32.07 1n4k h VAL 287 CO 0.94 0.15 0.00 1.67 0.02 0.00 0.00 177.57 180.36 1n4k n GLN 288 N -5.06 0.00 -0.04 1.57 0.00 -1.26 -5.06 117.38 107.54 1n4k n GLN 288 Ca -0.09 0.00 -0.07 0.00 -0.00 0.00 0.00 57.00 56.85 1n4k n GLN 288 Cb 0.25 0.00 -0.03 0.00 0.00 0.00 0.00 30.24 30.46 1n4k n GLN 288 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.06 176.95 1n4k n LEU 302 N 0.00 1.91 -4.09 1.69 7.94 -1.24 -5.19 117.00 118.02 1n4k n LEU 302 Ca 0.00 0.02 -0.13 0.00 -1.11 0.00 0.00 56.01 54.79 1n4k n LEU 302 Cb 0.00 -0.24 -0.11 0.00 0.53 0.00 0.00 43.42 43.59 1n4k n LEU 302 CO 0.00 0.42 -0.40 -0.36 -1.11 0.00 0.00 177.39 175.93 1n4k s PHE 303 N -2.14 0.75 0.06 1.96 0.08 -0.56 -4.49 117.98 113.64 1n4k s PHE 303 Ca -0.10 -0.55 0.04 0.00 0.12 0.00 0.00 56.93 56.44 1n4k s PHE 303 Cb 0.03 -0.44 -0.03 0.00 -0.57 0.00 0.00 43.02 42.01 1n4k s PHE 303 CO 0.15 -0.08 -0.12 0.50 -0.10 0.00 0.00 175.22 175.58 1n4k s ARG 304 N -1.90 0.73 -0.17 0.44 3.52 -0.34 -0.03 118.95 121.20 1n4k s ARG 304 Ca -0.06 -0.86 0.01 0.00 -0.13 0.00 0.00 55.73 54.68 1n4k s ARG 304 Cb -0.08 -0.66 0.02 0.00 -1.56 0.00 0.00 34.95 32.68 1n4k s ARG 304 CO -0.00 0.14 -0.17 -0.06 -0.81 0.00 0.00 175.30 174.41 1n4k s PHE 305 N -1.25 2.53 -0.27 5.12 0.40 -1.26 -1.16 117.98 122.09 1n4k s PHE 305 Ca -0.04 -1.50 -0.13 0.00 -0.60 0.00 0.00 56.93 54.66 1n4k s PHE 305 Cb -0.10 -1.77 -0.04 0.00 0.51 0.00 0.00 43.02 41.62 1n4k s PHE 305 CO 0.02 -0.75 0.26 0.21 0.70 0.00 0.00 175.22 175.66 1n4k s LYS 306 N 1.37 4.00 -0.46 0.44 2.20 -0.18 -0.95 119.74 126.16 1n4k s LYS 306 Ca 0.04 -0.16 -0.28 0.00 -0.36 0.00 0.00 55.97 55.21 1n4k s LYS 306 Cb -0.13 -3.64 0.00 0.00 -1.51 0.00 0.00 37.83 32.55 1n4k s LYS 306 CO -0.11 -0.18 1.55 -1.58 -0.36 0.00 0.00 175.35 174.67 1n4k s HIS 307 N 1.76 2.15 0.37 4.03 5.65 0.10 -0.03 115.29 129.32 1n4k s HIS 307 Ca 0.11 0.62 0.08 0.00 0.25 0.00 0.00 55.06 56.11 1n4k s HIS 307 Cb -0.16 -4.27 0.80 0.00 -1.18 0.00 0.00 32.58 27.77 1n4k s HIS 307 CO 0.10 -2.23 1.94 1.25 -0.65 0.00 0.00 174.74 175.15 1n4k h LEU 308 N 13.26 0.62 -0.44 8.88 5.85 -1.75 0.61 115.31 142.34 1n4k h LEU 308 Ca -0.28 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.45 1n4k h LEU 308 Cb 1.12 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.03 1n4k h LEU 308 CO 1.12 0.38 0.00 0.00 -0.34 0.00 0.00 178.44 179.60 1n4k h ALA 309 N 1.62 1.00 0.00 1.25 0.00 -1.80 -3.34 119.26 117.99 1n4k h ALA 309 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1n4k h ALA 309 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1n4k h ALA 309 CO -0.12 0.00 -0.17 0.25 0.00 0.00 0.00 179.25 179.21 1n4k n THR 310 N -2.38 0.00 -0.40 0.00 -2.24 -0.99 -5.02 114.28 103.25 1n4k n THR 310 Ca 0.03 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 1n4k n THR 310 Cb 0.34 0.65 0.00 0.00 -2.10 0.00 0.00 70.33 69.22 1n4k n THR 310 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1n4k n GLY 311 N 0.66 1.88 3.86 3.38 0.00 0.21 -5.03 105.19 110.16 1n4k n GLY 311 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1n4k n GLY 311 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1n4k s HIS 312 N -3.28 1.95 0.16 1.61 3.76 -1.24 -4.71 115.29 113.55 1n4k s HIS 312 Ca 0.00 0.53 0.11 0.00 -0.15 0.00 0.00 55.06 55.55 1n4k s HIS 312 Cb 0.00 -3.78 -0.04 0.00 1.11 0.00 0.00 32.58 29.87 1n4k s HIS 312 CO 0.00 -2.53 -0.25 0.71 -0.85 0.00 0.00 174.74 171.82 1n4k s TYR 313 N -3.62 2.32 0.28 1.40 1.51 0.21 0.00 117.35 119.45 1n4k s TYR 313 Ca 0.69 -0.36 -0.29 0.00 -1.01 0.00 0.00 57.07 56.09 1n4k s TYR 313 Cb -0.08 -1.20 -0.10 0.00 -0.11 0.00 0.00 41.96 40.47 1n4k s TYR 313 CO 0.52 0.42 1.14 -1.17 -1.11 0.00 0.00 175.55 175.36 1n4k s LEU 314 N -2.37 4.52 0.00 -1.29 2.96 -0.12 -1.30 118.68 121.09 1n4k s LEU 314 Ca 0.17 2.34 -0.05 0.00 -0.22 0.00 0.00 54.13 56.37 1n4k s LEU 314 Cb -0.09 -3.63 0.02 0.00 0.50 0.00 0.00 46.19 42.99 1n4k s LEU 314 CO 0.08 -0.23 0.39 0.00 -1.32 0.00 0.00 176.35 175.27 1n4k n ALA 315 N 1.22 -0.68 -3.22 5.97 0.00 -0.15 -4.41 120.51 119.24 1n4k n ALA 315 Ca -0.01 -0.82 -0.13 0.00 0.00 0.00 0.00 53.44 52.48 1n4k n ALA 315 Cb 0.44 0.66 -0.10 0.00 0.00 0.00 0.00 19.45 20.45 1n4k n ALA 315 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1n4k s ALA 316 N -1.90 -0.79 0.13 0.00 0.00 -1.23 -0.33 121.76 117.65 1n4k s ALA 316 Ca 0.12 0.79 -0.17 0.00 0.00 0.00 0.00 51.96 52.71 1n4k s ALA 316 Cb -0.02 -0.41 0.04 0.00 0.00 0.00 0.00 23.12 22.73 1n4k s ALA 316 CO 0.09 -0.17 0.43 -1.83 0.00 0.00 0.00 175.76 174.28 1n4k s GLU 317 N -0.12 1.10 0.11 0.00 -1.05 -0.89 -4.93 118.70 112.92 1n4k s GLU 317 Ca -0.03 -0.68 -0.35 0.00 -0.15 0.00 0.00 54.97 53.76 1n4k s GLU 317 Cb -0.03 0.49 -0.15 0.00 -0.44 0.00 0.00 34.13 34.00 1n4k s GLU 317 CO 0.01 -0.44 1.49 1.33 0.95 0.00 0.00 175.26 178.60 1n4k n VAL 318 N -0.25 0.02 0.00 1.83 0.24 -1.26 -1.67 118.33 117.24 1n4k n VAL 318 Ca -0.16 -0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.14 1n4k n VAL 318 Cb 0.64 -1.23 0.00 0.00 -1.47 0.00 0.00 33.84 31.78 1n4k n VAL 318 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1n4k n ASP 319 N 3.16 0.00 -0.28 -1.34 -0.08 -1.26 -4.84 116.55 111.90 1n4k n ASP 319 Ca 0.18 0.15 0.00 0.00 -1.51 0.00 0.00 54.79 53.61 1n4k n ASP 319 Cb 0.24 -0.28 0.00 0.00 2.34 0.00 0.00 41.12 43.43 1n4k n ASP 319 CO 0.00 0.00 0.00 0.23 0.12 0.00 0.00 177.20 177.55 1n4k n MET 351 N -1.66 0.00 -0.03 -0.67 2.00 -1.26 -5.01 117.12 110.50 1n4k n MET 351 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 57.70 57.67 1n4k n MET 351 Cb 0.00 -0.11 -0.04 0.00 0.00 0.00 0.00 33.22 33.07 1n4k n MET 351 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 1n4k n VAL 352 N -0.03 0.41 -4.08 2.03 0.31 -1.25 -5.03 118.33 110.69 1n4k n VAL 352 Ca 0.00 -0.23 -0.22 0.00 -0.01 0.00 0.00 64.34 63.88 1n4k n VAL 352 Cb 0.00 -0.82 -0.04 0.00 -0.91 0.00 0.00 33.84 32.07 1n4k n VAL 352 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 1n4k s TYR 353 N -2.14 3.20 0.01 3.52 1.51 -1.26 -4.51 117.35 117.68 1n4k s TYR 353 Ca -0.05 -0.08 0.02 0.00 -1.01 0.00 0.00 57.07 55.95 1n4k s TYR 353 Cb 0.02 -1.45 -0.01 0.00 -0.11 0.00 0.00 41.96 40.41 1n4k s TYR 353 CO 0.22 0.50 -0.06 -1.54 -1.11 0.00 0.00 175.55 173.57 1n4k s SER 354 N -3.85 0.65 0.35 2.29 1.04 -0.67 -2.39 113.70 111.11 1n4k s SER 354 Ca 0.33 -0.28 -0.28 0.00 0.48 0.00 0.00 55.95 56.21 1n4k s SER 354 Cb -0.08 -0.02 -0.10 0.00 0.10 0.00 0.00 66.02 65.92 1n4k s SER 354 CO 0.26 -0.06 1.27 -0.76 0.98 0.00 0.00 173.24 174.93 1n4k s LEU 355 N -0.72 4.37 0.30 2.42 1.02 0.11 -2.09 118.68 124.08 1n4k s LEU 355 Ca -0.03 2.60 0.00 0.00 0.02 0.00 0.00 54.13 56.72 1n4k s LEU 355 Cb -0.05 -3.74 -0.02 0.00 0.02 0.00 0.00 46.19 42.40 1n4k s LEU 355 CO 0.00 -0.57 0.34 0.68 0.02 0.00 0.00 176.35 176.81 1n4k s VAL 356 N -1.20 0.00 -0.09 -1.59 -7.23 0.55 -4.45 120.40 106.39 1n4k s VAL 356 Ca 0.51 -1.80 -0.00 0.00 -1.81 0.00 0.00 61.98 58.88 1n4k s VAL 356 Cb -0.38 -2.52 -0.03 0.00 0.56 0.00 0.00 36.38 34.02 1n4k s VAL 356 CO 0.49 0.00 -0.08 -0.55 -0.31 0.00 0.00 175.10 174.66 1n4k s SER 357 N -3.24 4.56 0.01 4.85 0.15 -1.26 -0.98 113.70 117.78 1n4k s SER 357 Ca 0.35 -0.09 0.04 0.00 0.70 0.00 0.00 55.95 56.94 1n4k s SER 357 Cb 0.02 -1.33 -0.01 0.00 -1.71 0.00 0.00 66.02 62.99 1n4k s SER 357 CO 0.20 0.30 -0.12 0.68 1.20 0.00 0.00 173.24 175.50 1n4k s VAL 358 N -0.41 0.91 0.24 4.45 -7.23 -0.42 -4.94 120.40 112.99 1n4k s VAL 358 Ca 0.06 -0.71 -0.07 0.00 -1.81 0.00 0.00 61.98 59.44 1n4k s VAL 358 Cb -0.12 -0.80 0.26 0.00 0.56 0.00 0.00 36.38 36.27 1n4k s VAL 358 CO 0.02 0.09 1.65 -0.65 -0.31 0.00 0.00 175.10 175.90 1n4k h PRO 359 N 5.39 0.12 -5.60 4.82 0.11 -1.94 0.62 132.00 135.53 1n4k h PRO 359 Ca -0.34 -0.01 -0.49 0.00 0.11 0.00 0.00 66.00 65.26 1n4k h PRO 359 Cb 1.18 -0.03 -0.14 0.00 0.11 0.00 0.00 31.00 32.12 1n4k h PRO 359 CO 0.46 0.08 -0.70 -1.21 -0.21 0.00 0.00 178.00 176.43 1n4k s GLU 360 N -6.11 1.50 -0.79 1.05 2.02 -1.26 -4.58 118.70 110.53 1n4k s GLU 360 Ca -0.13 -1.73 0.02 0.00 0.02 0.00 0.00 54.97 53.15 1n4k s GLU 360 Cb 0.22 -1.22 0.33 0.00 0.10 0.00 0.00 34.13 33.56 1n4k s GLU 360 CO 0.75 0.11 1.38 0.41 0.02 0.00 0.00 175.26 177.93 1n4k n GLY 361 N -0.53 5.87 0.44 -1.39 0.00 -1.26 -4.63 105.19 103.69 1n4k n GLY 361 Ca -0.06 -2.69 -0.11 0.00 0.00 0.00 0.00 46.02 43.16 1n4k n GLY 361 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1n4k n ASN 362 N -0.17 1.62 -4.38 1.61 3.02 -1.26 -5.05 115.26 110.66 1n4k n ASN 362 Ca 0.39 0.07 -0.32 0.00 -0.03 0.00 0.00 54.58 54.69 1n4k n ASN 362 Cb 0.33 -0.28 0.15 0.00 -0.61 0.00 0.00 39.78 39.37 1n4k n ASN 362 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1n4k n ASP 363 N -3.28 -2.07 0.06 6.41 8.00 -1.26 -4.89 116.55 119.52 1n4k n ASP 363 Ca -0.21 0.12 0.12 0.00 0.71 0.00 0.00 54.79 55.53 1n4k n ASP 363 Cb 0.68 -1.12 0.29 0.00 -0.02 0.00 0.00 41.12 40.94 1n4k n ASP 363 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 1n4k n ILE 364 N -4.05 0.33 0.38 0.53 -0.00 -1.26 -3.74 119.36 111.54 1n4k n ILE 364 Ca 0.04 -0.21 0.11 0.00 -0.00 0.00 0.00 62.75 62.70 1n4k n ILE 364 Cb 0.57 -0.22 0.48 0.00 -0.00 0.00 0.00 39.64 40.47 1n4k n ILE 364 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.55 175.01 1n4k n SER 365 N -1.99 0.60 -1.52 4.38 3.41 -1.26 -2.41 113.62 114.82 1n4k n SER 365 Ca 0.05 0.66 0.09 0.00 -0.26 0.00 0.00 58.87 59.40 1n4k n SER 365 Cb 0.41 -0.78 0.35 0.00 -0.26 0.00 0.00 64.21 63.93 1n4k n SER 365 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1n4k n SER 366 N -2.17 4.69 -4.66 4.04 3.41 -1.25 -3.49 113.62 114.20 1n4k n SER 366 Ca 0.02 -2.49 -0.35 0.00 -0.26 0.00 0.00 58.87 55.79 1n4k n SER 366 Cb 0.20 -0.57 -0.09 0.00 -0.26 0.00 0.00 64.21 63.49 1n4k n SER 366 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1n4k s ILE 367 N -1.92 5.05 0.23 -1.33 1.01 -1.01 -4.39 121.20 118.84 1n4k s ILE 367 Ca 0.50 0.06 0.10 0.00 0.00 0.00 0.00 60.65 61.30 1n4k s ILE 367 Cb 0.33 -3.30 -0.05 0.00 0.01 0.00 0.00 42.46 39.45 1n4k s ILE 367 CO 0.23 0.43 -0.17 -0.36 0.00 0.00 0.00 174.94 175.07 1n4k s PHE 368 N 0.51 1.97 -0.09 3.97 0.40 0.96 -2.99 117.98 122.71 1n4k s PHE 368 Ca 0.05 -0.46 0.04 0.00 -0.60 0.00 0.00 56.93 55.96 1n4k s PHE 368 Cb -0.12 -0.89 -0.01 0.00 0.51 0.00 0.00 43.02 42.51 1n4k s PHE 368 CO 0.00 0.51 -0.22 -2.00 0.70 0.00 0.00 175.22 174.21 1n4k s GLU 369 N -3.49 2.94 -0.21 0.44 2.12 0.68 -1.50 118.70 119.68 1n4k s GLU 369 Ca 0.25 -0.85 -0.15 0.00 0.36 0.00 0.00 54.97 54.58 1n4k s GLU 369 Cb -0.03 -2.31 -0.04 0.00 0.26 0.00 0.00 34.13 32.00 1n4k s GLU 369 CO 0.10 0.26 0.36 -0.51 -0.54 0.00 0.00 175.26 174.93 1n4k s LEU 370 N 0.15 4.15 -0.40 2.70 1.43 -1.26 -0.72 118.68 124.73 1n4k s LEU 370 Ca -0.12 0.45 0.03 0.00 -1.03 0.00 0.00 54.13 53.45 1n4k s LEU 370 Cb -0.16 -2.45 0.11 0.00 0.03 0.00 0.00 46.19 43.72 1n4k s LEU 370 CO 0.07 -0.06 0.14 -0.62 0.23 0.00 0.00 176.35 176.11 1n4k s ASP 371 N 1.06 4.37 0.85 2.29 -1.08 0.40 -4.94 116.67 119.61 1n4k s ASP 371 Ca 0.17 -2.37 -0.11 0.00 -0.52 0.00 0.00 52.55 49.73 1n4k s ASP 371 Cb -0.15 -1.42 0.10 0.00 -1.46 0.00 0.00 42.92 40.00 1n4k s ASP 371 CO 0.07 -0.33 1.10 -2.16 0.52 0.00 0.00 175.17 174.37 1n4k s PRO 372 N 0.62 1.61 0.00 4.34 0.04 -1.26 -1.37 135.00 138.98 1n4k s PRO 372 Ca 0.13 1.09 0.00 0.00 0.04 0.00 0.00 61.00 62.26 1n4k s PRO 372 Cb -0.21 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.50 1n4k s PRO 372 CO -0.08 -2.07 0.00 0.66 0.04 0.00 0.00 177.00 175.55 1n4k n TYR 387 N -3.80 0.00 -3.86 0.56 4.01 -1.26 -4.83 117.16 107.97 1n4k n TYR 387 Ca 0.08 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.71 1n4k n TYR 387 Cb 0.54 -0.30 -0.10 0.00 -0.31 0.00 0.00 39.34 39.17 1n4k n TYR 387 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 1n4k s VAL 388 N -0.40 0.08 0.05 -0.72 -7.23 0.23 -4.91 120.40 107.49 1n4k s VAL 388 Ca 0.00 -0.64 0.00 0.00 -1.81 0.00 0.00 61.98 59.53 1n4k s VAL 388 Cb 0.00 -0.43 -0.04 0.00 0.56 0.00 0.00 36.38 36.47 1n4k s VAL 388 CO 0.00 -0.35 0.18 -0.13 -0.31 0.00 0.00 175.10 174.49 1n4k s ARG 389 N -1.30 3.34 -0.20 4.82 0.52 -0.47 -0.31 118.95 125.35 1n4k s ARG 389 Ca -0.14 -0.46 -0.04 0.00 -0.52 0.00 0.00 55.73 54.57 1n4k s ARG 389 Cb -0.07 -2.99 -0.01 0.00 0.52 0.00 0.00 34.95 32.39 1n4k s ARG 389 CO 0.02 0.61 -0.04 -0.51 0.02 0.00 0.00 175.30 175.40 1n4k s LEU 390 N -2.38 2.99 -0.18 2.53 1.02 -1.26 -0.46 118.68 120.95 1n4k s LEU 390 Ca 0.32 -0.31 -0.05 0.00 0.02 0.00 0.00 54.13 54.12 1n4k s LEU 390 Cb -0.13 -1.75 -0.03 0.00 0.02 0.00 0.00 46.19 44.31 1n4k s LEU 390 CO 0.25 0.04 -0.01 -0.60 0.02 0.00 0.00 176.35 176.05 1n4k s ARG 391 N 1.11 3.68 -0.69 1.70 3.52 0.10 -0.76 118.95 127.60 1n4k s ARG 391 Ca 0.02 -0.50 -0.26 0.00 -0.13 0.00 0.00 55.73 54.85 1n4k s ARG 391 Cb -0.15 -3.01 0.04 0.00 -1.56 0.00 0.00 34.95 30.28 1n4k s ARG 391 CO -0.00 0.16 1.17 -1.58 -0.81 0.00 0.00 175.30 174.23 1n4k s HIS 392 N 0.61 2.44 0.07 5.12 5.65 0.12 -0.23 115.29 129.08 1n4k s HIS 392 Ca -0.01 -0.15 -0.16 0.00 0.25 0.00 0.00 55.06 54.98 1n4k s HIS 392 Cb -0.14 -4.50 -0.05 0.00 -1.18 0.00 0.00 32.58 26.72 1n4k s HIS 392 CO 0.02 -1.88 1.28 1.25 -0.65 0.00 0.00 174.74 174.76 1n4k h LEU 393 N 12.36 -1.02 -0.82 8.88 5.85 -1.83 0.64 115.31 139.36 1n4k h LEU 393 Ca -0.28 0.15 0.23 0.00 0.84 0.00 0.00 57.88 58.82 1n4k h LEU 393 Cb 1.06 0.44 -0.15 0.00 0.37 0.00 0.00 40.66 42.37 1n4k h LEU 393 CO 1.23 -0.16 0.04 0.00 -0.34 0.00 0.00 178.44 179.21 1n4k n THR 395 N -5.16 0.00 -3.49 0.00 -2.24 -0.96 -5.01 114.28 97.42 1n4k n THR 395 Ca 0.20 -0.19 -0.22 0.00 -2.27 0.00 0.00 64.05 61.57 1n4k n THR 395 Cb 0.66 1.02 0.07 0.00 -2.10 0.00 0.00 70.33 69.99 1n4k n THR 395 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1n4k n ASN 396 N -1.16 -5.99 -4.63 3.42 4.05 0.22 -5.02 115.26 106.15 1n4k n ASN 396 Ca 0.03 -0.49 -0.24 0.00 0.45 0.00 0.00 54.58 54.34 1n4k n ASN 396 Cb 0.23 -4.61 -0.08 0.00 1.23 0.00 0.00 39.78 36.56 1n4k n ASN 396 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 177.26 174.63 1n4k s THR 397 N -3.29 2.91 -0.11 -0.44 -4.23 -1.17 -4.86 115.64 104.45 1n4k s THR 397 Ca 0.53 -1.96 -0.00 0.00 -1.18 0.00 0.00 61.69 59.08 1n4k s THR 397 Cb -0.24 -2.79 -0.02 0.00 1.34 0.00 0.00 72.50 70.80 1n4k s THR 397 CO 0.66 -0.27 -0.09 0.26 -0.54 0.00 0.00 174.62 174.63 1n4k s TRP 398 N -2.45 2.88 -0.08 3.99 0.52 0.27 0.13 118.94 124.21 1n4k s TRP 398 Ca 0.34 -0.36 -0.36 0.00 0.02 0.00 0.00 56.10 55.74 1n4k s TRP 398 Cb -0.03 -1.82 -0.13 0.00 -1.15 0.00 0.00 33.47 30.34 1n4k s TRP 398 CO 0.20 -0.01 1.75 0.28 0.02 0.00 0.00 176.95 179.19 1n4k n VAL 399 N 3.12 0.36 -4.53 4.03 0.31 0.06 -0.50 118.33 121.17 1n4k n VAL 399 Ca -0.18 -0.07 -0.21 0.00 -0.01 0.00 0.00 64.34 63.87 1n4k n VAL 399 Cb 0.53 -1.56 -0.15 0.00 -0.91 0.00 0.00 33.84 31.74 1n4k n VAL 399 CO 0.00 0.00 0.00 -2.28 -1.32 0.00 0.00 176.83 173.23 1n4k s HIS 400 N 3.07 1.13 0.68 3.52 2.46 0.39 -4.82 115.29 121.73 1n4k s HIS 400 Ca 0.91 -0.26 -0.09 0.00 0.47 0.00 0.00 55.06 56.09 1n4k s HIS 400 Cb -0.81 -0.76 0.02 0.00 -0.13 0.00 0.00 32.58 30.91 1n4k s HIS 400 CO 0.52 -0.07 1.04 -1.54 -2.47 0.00 0.00 174.74 172.23 1n4k s SER 401 N -0.07 5.33 0.22 9.88 1.04 -1.26 -0.89 113.70 127.95 1n4k s SER 401 Ca 0.01 0.91 -0.07 0.00 0.48 0.00 0.00 55.95 57.27 1n4k s SER 401 Cb -0.07 -1.72 -0.02 0.00 0.10 0.00 0.00 66.02 64.31 1n4k s SER 401 CO 0.00 -1.34 0.31 0.42 0.98 0.00 0.00 173.24 173.61 1n4k s THR 402 N -3.27 0.01 -1.25 2.02 -4.23 -1.20 -4.80 115.64 102.91 1n4k s THR 402 Ca 0.57 -1.66 0.15 0.00 -1.18 0.00 0.00 61.69 59.58 1n4k s THR 402 Cb -0.11 -2.29 0.44 0.00 1.34 0.00 0.00 72.50 71.88 1n4k s THR 402 CO 0.49 -0.03 1.37 0.59 -0.54 0.00 0.00 174.62 176.49 1n4k n ASN 403 N -0.32 3.36 -4.60 3.99 3.02 -1.26 -4.61 115.26 114.84 1n4k n ASN 403 Ca -0.01 -2.05 -0.43 0.00 -0.03 0.00 0.00 54.58 52.07 1n4k n ASN 403 Cb 0.64 -0.34 -0.02 0.00 -0.61 0.00 0.00 39.78 39.45 1n4k n ASN 403 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1n4k s ILE 404 N -1.08 4.05 0.40 2.41 1.01 -1.26 -4.94 121.20 121.79 1n4k s ILE 404 Ca 0.33 1.07 -0.24 0.00 0.00 0.00 0.00 60.65 61.81 1n4k s ILE 404 Cb 0.18 -4.43 -0.09 0.00 0.01 0.00 0.00 42.46 38.13 1n4k s ILE 404 CO 0.22 -0.91 1.02 -2.16 0.00 0.00 0.00 174.94 173.11 1n4k s PRO 405 N 4.72 4.19 -0.13 2.79 0.04 -1.26 -0.28 135.00 145.07 1n4k s PRO 405 Ca 0.54 1.43 -0.01 0.00 0.04 0.00 0.00 61.00 63.00 1n4k s PRO 405 Cb -0.10 -2.49 -0.24 0.00 0.04 0.00 0.00 34.50 31.71 1n4k s PRO 405 CO 0.32 -0.10 0.33 -0.89 0.04 0.00 0.00 177.00 176.70 1n4k n ILE 406 N -0.14 1.70 -2.29 0.56 5.41 0.25 -4.47 119.36 120.37 1n4k n ILE 406 Ca 0.05 -0.68 -0.42 0.00 1.00 0.00 0.00 62.75 62.70 1n4k n ILE 406 Cb 0.50 -1.51 0.00 0.00 -0.71 0.00 0.00 39.64 37.92 1n4k n ILE 406 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 1n4k n ASP 407 N -3.34 6.06 0.24 4.38 3.85 -1.26 -4.81 116.55 121.68 1n4k n ASP 407 Ca -0.31 -3.15 -0.15 0.00 -0.71 0.00 0.00 54.79 50.47 1n4k n ASP 407 Cb 1.05 -1.42 -0.08 0.00 -1.35 0.00 0.00 41.12 39.31 1n4k n ASP 407 CO 0.00 0.00 0.00 0.11 -1.01 0.00 0.00 177.20 176.30 1n4k h LYS 408 N 5.36 -0.80 -1.19 0.11 1.79 -1.94 -2.84 116.57 117.05 1n4k h LYS 408 Ca 0.47 0.05 0.37 0.00 -2.18 0.00 0.00 60.65 59.36 1n4k h LYS 408 Cb 0.53 0.18 -0.12 0.00 -1.58 0.00 0.00 32.23 31.24 1n4k h LYS 408 CO 1.56 -0.53 0.76 0.93 -1.08 0.00 0.00 179.45 181.09 1n4k h GLU 409 N -0.83 0.20 -6.99 3.15 3.07 -1.98 -3.42 114.58 107.78 1n4k h GLU 409 Ca -0.05 -0.01 -0.53 0.00 -0.50 0.00 0.00 59.36 58.27 1n4k h GLU 409 Cb 0.72 -0.05 0.10 0.00 -0.84 0.00 0.00 28.75 28.68 1n4k h GLU 409 CO -0.04 0.13 0.59 -1.21 -1.40 0.00 0.00 179.01 177.08 1n4k s GLU 410 N -5.39 3.68 -0.05 2.33 0.41 -1.07 -4.97 118.70 113.64 1n4k s GLU 410 Ca -0.08 2.12 -0.30 0.00 -0.41 0.00 0.00 54.97 56.30 1n4k s GLU 410 Cb 0.28 -2.54 -0.02 0.00 -1.78 0.00 0.00 34.13 30.06 1n4k s GLU 410 CO 0.81 -0.71 1.05 -2.00 -0.49 0.00 0.00 175.26 173.91 1n4k s GLU 411 N -2.53 4.45 -0.76 1.61 2.12 -1.26 -3.81 118.70 118.51 1n4k s GLU 411 Ca 0.62 1.47 -0.00 0.00 0.36 0.00 0.00 54.97 57.42 1n4k s GLU 411 Cb -0.37 -3.51 -0.00 0.00 0.26 0.00 0.00 34.13 30.51 1n4k s GLU 411 CO 0.46 -0.26 0.69 1.17 -0.54 0.00 0.00 175.26 176.79 1n4k n LYS 412 N 4.64 -1.37 -1.24 4.30 4.81 -1.26 -4.92 118.16 123.12 1n4k n LYS 412 Ca 0.08 1.37 -0.34 0.00 -0.87 0.00 0.00 58.31 58.55 1n4k n LYS 412 Cb 0.49 -5.27 0.11 0.00 0.02 0.00 0.00 35.03 30.38 1n4k n LYS 412 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 1n4k n PRO 413 N -1.95 0.38 0.00 1.64 -0.04 -1.25 -4.96 135.00 128.82 1n4k n PRO 413 Ca -0.05 0.20 0.00 0.00 -0.04 0.00 0.00 63.50 63.61 1n4k n PRO 413 Cb 0.53 -2.44 0.00 0.00 -0.04 0.00 0.00 33.50 31.55 1n4k n PRO 413 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1n4k n VAL 414 N -2.98 0.00 -3.35 0.52 0.24 -1.26 -4.92 118.33 106.57 1n4k n VAL 414 Ca 0.14 -0.34 -0.44 0.00 -2.04 0.00 0.00 64.34 61.65 1n4k n VAL 414 Cb 0.50 1.22 -0.07 0.00 -1.47 0.00 0.00 33.84 34.01 1n4k n VAL 414 CO 0.00 0.00 0.00 -0.04 -2.14 0.00 0.00 176.83 174.65 1n4k s MET 415 N -0.20 3.00 -0.24 7.34 -1.94 -1.26 -1.15 119.30 124.86 1n4k s MET 415 Ca 0.00 -1.28 -0.10 0.00 -1.71 0.00 0.00 55.69 52.60 1n4k s MET 415 Cb 0.00 -4.13 -0.05 0.00 2.01 0.00 0.00 34.83 32.67 1n4k s MET 415 CO 0.00 -1.06 0.13 -0.51 -0.01 0.00 0.00 175.02 173.57 1n4k s LEU 416 N 1.80 3.95 0.67 -0.03 1.43 -0.65 0.84 118.68 126.69 1n4k s LEU 416 Ca 0.06 0.05 -0.17 0.00 -1.03 0.00 0.00 54.13 53.03 1n4k s LEU 416 Cb -0.24 -2.05 0.00 0.00 0.03 0.00 0.00 46.19 43.93 1n4k s LEU 416 CO 0.07 0.06 1.28 -0.75 0.23 0.00 0.00 176.35 177.25 1n4k s LYS 417 N 1.09 2.44 -0.07 1.70 2.20 0.62 -1.17 119.74 126.55 1n4k s LYS 417 Ca 0.06 2.03 0.02 0.00 -0.36 0.00 0.00 55.97 57.72 1n4k s LYS 417 Cb -0.14 -1.84 0.01 0.00 -1.51 0.00 0.00 37.83 34.36 1n4k s LYS 417 CO 0.04 -1.67 -0.14 0.42 -0.36 0.00 0.00 175.35 173.65 1n4k s ILE 418 N -1.49 1.26 0.00 5.43 1.01 -1.26 -3.24 121.20 122.91 1n4k s ILE 418 Ca 0.81 -0.54 0.00 0.00 0.00 0.00 0.00 60.65 60.92 1n4k s ILE 418 Cb -0.36 -1.15 0.00 0.00 0.01 0.00 0.00 42.46 40.96 1n4k s ILE 418 CO 0.41 0.38 0.00 0.61 0.00 0.00 0.00 174.94 176.34 1n4k n GLY 419 N 3.86 4.91 3.11 6.18 0.00 -0.07 0.04 105.19 123.21 1n4k n GLY 419 Ca -0.22 -1.98 -0.23 0.00 0.00 0.00 0.00 46.02 43.60 1n4k n GLY 419 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1n4k s THR 420 N -0.88 1.13 0.10 2.61 -4.23 -1.01 0.15 115.64 113.51 1n4k s THR 420 Ca 0.00 -0.61 0.07 0.00 -1.18 0.00 0.00 61.69 59.98 1n4k s THR 420 Cb 0.00 -0.94 -0.04 0.00 1.34 0.00 0.00 72.50 72.86 1n4k s THR 420 CO 0.00 0.32 -0.11 -0.94 -0.54 0.00 0.00 174.62 173.35 1n4k s SER 421 N -0.31 4.32 0.48 3.99 1.04 0.34 -3.93 113.70 119.64 1n4k s SER 421 Ca 0.05 -0.41 0.32 0.00 0.48 0.00 0.00 55.95 56.39 1n4k s SER 421 Cb -0.06 -0.80 1.37 0.00 0.10 0.00 0.00 66.02 66.64 1n4k s SER 421 CO -0.00 0.18 1.94 1.55 0.98 0.00 0.00 173.24 177.89 1n4k h PRO 422 N 3.65 0.00 -5.68 4.02 0.13 -1.89 0.80 132.00 133.03 1n4k h PRO 422 Ca -0.49 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 63.98 1n4k h PRO 422 Cb 1.17 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.23 1n4k h PRO 422 CO 0.51 0.00 -0.45 -0.51 -0.23 0.00 0.00 178.00 177.32 1n4k s LEU 423 N -5.65 4.40 -0.58 1.56 1.43 -1.26 -4.78 118.68 113.80 1n4k s LEU 423 Ca 0.01 0.53 -0.26 0.00 -1.03 0.00 0.00 54.13 53.38 1n4k s LEU 423 Cb 0.09 -2.13 0.04 0.00 0.03 0.00 0.00 46.19 44.22 1n4k s LEU 423 CO 0.47 0.40 1.06 -0.75 0.23 0.00 0.00 176.35 177.76 1n4k s LYS 424 N -1.03 3.37 0.99 1.70 2.20 -1.26 -4.67 119.74 121.04 1n4k s LYS 424 Ca 0.16 -0.12 -0.17 0.00 -0.36 0.00 0.00 55.97 55.48 1n4k s LYS 424 Cb -0.13 -4.06 0.21 0.00 -1.51 0.00 0.00 37.83 32.35 1n4k s LYS 424 CO 0.05 -1.63 1.33 -1.21 -0.36 0.00 0.00 175.35 173.53 1n4k s GLU 425 N 4.45 0.44 -0.09 4.03 0.41 -1.26 -5.04 118.70 121.64 1n4k s GLU 425 Ca 0.35 -0.44 0.03 0.00 -0.41 0.00 0.00 54.97 54.50 1n4k s GLU 425 Cb -0.11 -1.83 -0.08 0.00 -1.78 0.00 0.00 34.13 30.34 1n4k s GLU 425 CO 0.20 -2.54 -0.04 -0.40 -0.49 0.00 0.00 175.26 171.99 1n4k n ASP 426 N -3.85 3.12 -1.93 -0.19 5.75 -1.26 -4.60 116.55 113.60 1n4k n ASP 426 Ca 0.16 -0.03 -0.19 0.00 -0.01 0.00 0.00 54.79 54.71 1n4k n ASP 426 Cb 0.59 0.18 0.11 0.00 -1.03 0.00 0.00 41.12 40.97 1n4k n ASP 426 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1n4k n LYS 427 N -2.60 1.97 -2.29 0.11 5.02 -1.26 -4.18 118.16 114.92 1n4k n LYS 427 Ca -0.16 -2.19 -0.17 0.00 -2.02 0.00 0.00 58.31 53.77 1n4k n LYS 427 Cb 0.72 -1.86 0.03 0.00 -0.02 0.00 0.00 35.03 33.90 1n4k n LYS 427 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1n4k n GLU 428 N -0.56 3.01 -3.54 1.97 4.07 -1.26 -4.40 120.64 119.92 1n4k n GLU 428 Ca 0.43 -3.97 -0.24 0.00 -0.06 0.00 0.00 57.16 53.33 1n4k n GLU 428 Cb 1.16 -2.06 -0.02 0.00 -0.06 0.00 0.00 31.44 30.46 1n4k n GLU 428 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1n4k s ALA 429 N -3.66 3.76 -0.01 4.31 0.00 -1.26 -4.70 121.76 120.20 1n4k s ALA 429 Ca 0.43 -0.94 0.08 0.00 0.00 0.00 0.00 51.96 51.52 1n4k s ALA 429 Cb 0.38 -2.03 -0.02 0.00 0.00 0.00 0.00 23.12 21.46 1n4k s ALA 429 CO 0.01 0.11 -0.24 -0.06 0.00 0.00 0.00 175.76 175.58 1n4k s PHE 430 N -2.18 2.14 -0.15 0.00 0.40 0.58 -2.28 117.98 116.49 1n4k s PHE 430 Ca 0.39 -0.40 -0.15 0.00 -0.60 0.00 0.00 56.93 56.16 1n4k s PHE 430 Cb -0.10 -1.36 -0.04 0.00 0.51 0.00 0.00 43.02 42.03 1n4k s PHE 430 CO 0.33 -0.01 0.36 0.00 0.70 0.00 0.00 175.22 176.60 1n4k s ALA 431 N -0.60 3.55 -0.55 5.36 0.00 0.19 -0.60 121.76 129.11 1n4k s ALA 431 Ca 0.09 -0.37 -0.24 0.00 0.00 0.00 0.00 51.96 51.44 1n4k s ALA 431 Cb -0.09 -2.50 0.04 0.00 0.00 0.00 0.00 23.12 20.57 1n4k s ALA 431 CO -0.00 0.03 0.92 0.42 0.00 0.00 0.00 175.76 177.12 1n4k s ILE 432 N 0.60 4.42 -0.38 0.00 -1.09 -1.26 -2.01 121.20 121.48 1n4k s ILE 432 Ca 0.20 0.23 -0.16 0.00 -2.23 0.00 0.00 60.65 58.68 1n4k s ILE 432 Cb -0.14 -4.53 0.00 0.00 -1.58 0.00 0.00 42.46 36.22 1n4k s ILE 432 CO 0.06 -1.10 0.41 -0.69 -1.23 0.00 0.00 174.94 172.39 1n4k s VAL 433 N 3.87 5.11 0.50 2.92 1.01 -0.50 -4.96 120.40 128.36 1n4k s VAL 433 Ca 0.29 -0.10 -0.23 0.00 0.00 0.00 0.00 61.98 61.94 1n4k s VAL 433 Cb -0.13 -3.94 -0.06 0.00 0.00 0.00 0.00 36.38 32.25 1n4k s VAL 433 CO 0.19 -0.26 1.32 -2.16 0.00 0.00 0.00 175.10 174.19 1n4k s PRO 434 N 2.11 3.44 -0.09 2.72 0.04 -1.26 -1.05 135.00 140.91 1n4k s PRO 434 Ca 0.13 2.16 0.01 0.00 0.04 0.00 0.00 61.00 63.34 1n4k s PRO 434 Cb -0.17 -2.40 -0.02 0.00 0.04 0.00 0.00 34.50 31.95 1n4k s PRO 434 CO 0.13 -0.93 -0.10 0.08 0.04 0.00 0.00 177.00 176.22 1n4k s VAL 435 N -1.33 3.41 0.48 -0.36 1.01 -0.99 -4.84 120.40 117.78 1n4k s VAL 435 Ca 0.67 -0.57 -0.23 0.00 0.00 0.00 0.00 61.98 61.85 1n4k s VAL 435 Cb -0.38 -2.40 -0.07 0.00 0.00 0.00 0.00 36.38 33.52 1n4k s VAL 435 CO 0.47 0.56 1.20 -0.94 0.00 0.00 0.00 175.10 176.39 1n4k s SER 436 N -0.33 6.00 0.29 3.32 1.04 -1.26 -4.82 113.70 117.94 1n4k s SER 436 Ca 0.04 2.40 0.03 0.00 0.48 0.00 0.00 55.95 58.90 1n4k s SER 436 Cb -0.13 -2.61 0.61 0.00 0.10 0.00 0.00 66.02 64.00 1n4k s SER 436 CO 0.02 -1.04 1.83 -0.65 0.98 0.00 0.00 173.24 174.38 1n4k h PRO 437 N 1.94 0.90 -0.33 4.02 0.11 -1.99 -2.16 132.00 134.50 1n4k h PRO 437 Ca -0.50 -0.05 0.02 0.00 0.11 0.00 0.00 66.00 65.57 1n4k h PRO 437 Cb 1.26 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 32.14 1n4k h PRO 437 CO 0.60 0.60 0.19 0.00 -0.21 0.00 0.00 178.00 179.17 1n4k h ALA 438 N 1.56 0.41 -0.34 -0.75 0.00 -1.99 0.85 119.26 119.00 1n4k h ALA 438 Ca 0.50 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.38 1n4k h ALA 438 Cb 0.58 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1n4k h ALA 438 CO -0.27 -0.18 0.07 1.49 0.00 0.00 0.00 179.25 180.36 1n4k h GLU 439 N 0.38 0.51 -0.19 0.00 4.81 -1.78 0.84 114.58 119.15 1n4k h GLU 439 Ca 0.13 -0.08 -0.08 0.00 -0.13 0.00 0.00 59.36 59.20 1n4k h GLU 439 Cb 0.01 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.30 1n4k h GLU 439 CO -0.07 0.48 -0.18 0.28 -0.73 0.00 0.00 179.01 178.79 1n4k h VAL 440 N 0.50 1.33 -0.88 0.32 2.07 -1.08 -1.82 116.25 116.69 1n4k h VAL 440 Ca 0.12 -1.34 -0.02 0.00 0.82 0.00 0.00 66.70 66.27 1n4k h VAL 440 Cb 0.22 1.79 -0.04 0.00 -1.52 0.00 0.00 31.29 31.74 1n4k h VAL 440 CO -0.00 0.41 0.46 0.03 0.02 0.00 0.00 177.57 178.48 1n4k h ARG 441 N 0.12 1.24 -0.49 1.57 3.08 -0.43 -1.72 114.38 117.74 1n4k h ARG 441 Ca 0.03 -0.16 -0.01 0.00 0.07 0.00 0.00 59.98 59.91 1n4k h ARG 441 Cb 0.72 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 30.52 1n4k h ARG 441 CO 0.05 0.92 0.25 -0.44 -1.07 0.00 0.00 179.97 179.68 1n4k h ASP 442 N 1.24 0.63 -0.68 7.04 3.32 -0.74 -2.05 116.42 125.17 1n4k h ASP 442 Ca 0.31 -0.11 -0.04 0.00 0.02 0.00 0.00 57.03 57.21 1n4k h ASP 442 Cb 0.06 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.42 1n4k h ASP 442 CO -0.05 0.56 0.28 0.25 -1.72 0.00 0.00 179.24 178.57 1n4k h LEU 443 N 0.65 0.93 -0.76 1.55 5.85 -0.97 -0.85 115.31 121.72 1n4k h LEU 443 Ca 0.17 -0.17 0.03 0.00 0.84 0.00 0.00 57.88 58.75 1n4k h LEU 443 Cb 0.09 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 40.83 1n4k h LEU 443 CO -0.02 0.84 0.49 0.44 -0.34 0.00 0.00 178.44 179.85 1n4k h ASP 444 N 0.97 0.81 -0.19 1.25 3.45 -1.05 0.12 116.42 121.78 1n4k h ASP 444 Ca 0.23 -0.01 -0.06 0.00 0.43 0.00 0.00 57.03 57.63 1n4k h ASP 444 Cb 0.19 -0.19 -0.00 0.00 -0.56 0.00 0.00 39.33 38.77 1n4k h ASP 444 CO -0.02 0.57 -0.10 0.15 -1.57 0.00 0.00 179.24 178.27 1n4k h PHE 445 N 0.96 0.47 -0.62 4.55 3.57 -1.08 -2.36 116.94 122.44 1n4k h PHE 445 Ca 0.30 -0.12 -0.04 0.00 3.53 0.00 0.00 57.97 61.64 1n4k h PHE 445 Cb -0.02 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 38.59 1n4k h PHE 445 CO -0.03 0.71 0.22 0.00 -2.23 0.00 0.00 178.31 176.99 1n4k h ALA 446 N 0.69 1.23 -0.51 2.41 0.00 -0.87 0.62 119.26 122.82 1n4k h ALA 446 Ca 0.04 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.68 1n4k h ALA 446 Cb 0.59 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1n4k h ALA 446 CO 0.03 0.55 -0.06 -0.97 0.00 0.00 0.00 179.25 178.81 1n4k h ASN 447 N 0.90 0.94 -0.30 0.00 -0.73 -0.75 -0.77 115.58 114.87 1n4k h ASN 447 Ca 0.21 -0.33 -0.10 0.00 1.87 0.00 0.00 56.30 57.94 1n4k h ASN 447 Cb 0.21 -0.25 -0.01 0.00 0.27 0.00 0.00 38.32 38.54 1n4k h ASN 447 CO -0.01 1.05 -0.21 0.44 -0.37 0.00 0.00 177.43 178.33 1n4k h ASP 448 N 0.81 0.70 -0.66 1.15 5.19 -1.06 -2.87 116.42 119.69 1n4k h ASP 448 Ca 0.14 -0.44 0.03 0.00 -0.62 0.00 0.00 57.03 56.14 1n4k h ASP 448 Cb 0.60 -0.20 -0.04 0.00 0.18 0.00 0.00 39.33 39.88 1n4k h ASP 448 CO 0.04 0.99 0.41 0.00 -3.12 0.00 0.00 179.24 177.56 1n4k h ALA 449 N 0.74 0.85 -0.93 3.45 0.00 -0.74 -1.78 119.26 120.85 1n4k h ALA 449 Ca 0.06 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.97 1n4k h ALA 449 Cb 0.75 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.28 1n4k h ALA 449 CO 0.06 0.18 0.61 1.03 0.00 0.00 0.00 179.25 181.12 1n4k h SER 450 N 0.81 1.03 -0.26 0.00 0.87 -1.10 -0.67 113.55 114.23 1n4k h SER 450 Ca 0.26 -0.01 -0.07 0.00 -1.23 0.00 0.00 61.79 60.74 1n4k h SER 450 Cb 0.01 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 61.72 1n4k h SER 450 CO -0.10 0.72 -0.09 0.11 -0.53 0.00 0.00 176.83 176.94 1n4k h LYS 451 N 1.20 0.53 -0.25 2.24 1.57 -1.20 -1.52 116.57 119.14 1n4k h LYS 451 Ca 0.36 -0.21 -0.01 0.00 -1.87 0.00 0.00 60.65 58.92 1n4k h LYS 451 Cb -0.04 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 1n4k h LYS 451 CO -0.11 0.76 0.12 0.28 -0.57 0.00 0.00 179.45 179.94 1n4k h VAL 452 N 0.27 1.14 -0.58 0.50 2.07 -1.05 -0.03 116.25 118.57 1n4k h VAL 452 Ca 0.06 -0.39 -0.02 0.00 0.82 0.00 0.00 66.70 67.17 1n4k h VAL 452 Cb 0.58 0.94 -0.03 0.00 -1.52 0.00 0.00 31.29 31.26 1n4k h VAL 452 CO 0.03 0.14 0.26 -0.07 0.02 0.00 0.00 177.57 177.95 1n4k h LEU 453 N 0.28 0.77 -0.54 2.57 3.38 -1.14 0.06 115.31 120.69 1n4k h LEU 453 Ca 0.09 -0.14 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 1n4k h LEU 453 Cb 0.10 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 1n4k h LEU 453 CO -0.01 0.70 0.16 1.23 0.09 0.00 0.00 178.44 180.60 1n4k h GLY 454 N 0.79 0.91 0.99 0.83 0.00 -1.12 0.77 103.07 106.24 1n4k h GLY 454 Ca 0.20 -0.55 -0.05 0.00 0.00 0.00 0.00 47.33 46.93 1n4k h GLY 454 CO -0.02 0.52 -0.47 0.23 0.00 0.00 0.00 176.54 176.80 1n4k h SER 455 N 0.75 -1.11 -0.95 0.19 0.87 -0.73 -1.67 113.55 110.90 1n4k h SER 455 Ca 0.17 0.04 0.08 0.00 -1.23 0.00 0.00 61.79 60.85 1n4k h SER 455 Cb 0.30 0.29 -0.07 0.00 -0.44 0.00 0.00 62.40 62.48 1n4k h SER 455 CO -0.00 -0.78 0.61 0.40 -0.53 0.00 0.00 176.83 176.53 1n4k h ILE 456 N -1.34 1.02 -0.59 2.23 5.03 -0.98 -1.79 117.51 121.10 1n4k h ILE 456 Ca -0.13 -0.36 0.00 0.00 -0.12 0.00 0.00 64.86 64.25 1n4k h ILE 456 Cb 1.00 -0.10 -0.03 0.00 -3.03 0.00 0.00 36.82 34.66 1n4k h ILE 456 CO 0.22 0.19 0.37 0.00 -0.68 0.00 0.00 178.15 178.25 1n4k h ALA 457 N 1.51 0.74 -0.93 1.87 0.00 -0.71 -0.59 119.26 121.15 1n4k h ALA 457 Ca 0.43 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.27 1n4k h ALA 457 Cb 0.29 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 1n4k h ALA 457 CO -0.18 0.20 0.54 0.78 0.00 0.00 0.00 179.25 180.59 1n4k h GLY 458 N 0.79 1.36 0.84 0.00 0.00 -0.45 -0.95 103.07 104.65 1n4k h GLY 458 Ca 0.21 -0.59 -0.03 0.00 0.00 0.00 0.00 47.33 46.93 1n4k h GLY 458 CO -0.04 0.56 0.01 0.50 0.00 0.00 0.00 176.54 177.58 1n4k h LYS 459 N 1.28 0.38 0.00 4.80 1.57 -1.04 -2.68 116.57 120.89 1n4k h LYS 459 Ca 0.33 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.99 1n4k h LYS 459 Cb -0.02 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.25 1n4k h LYS 459 CO -0.06 0.55 -0.05 1.25 -0.57 0.00 0.00 179.45 180.57 1n4k h LEU 460 N 0.16 0.00 -0.73 2.94 7.12 -0.75 -0.75 115.31 123.30 1n4k h LEU 460 Ca 0.06 0.00 -0.12 0.00 0.13 0.00 0.00 57.88 57.95 1n4k h LEU 460 Cb 0.37 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 40.49 1n4k h LEU 460 CO 0.01 0.05 -0.37 -0.33 -0.13 0.00 0.00 178.44 177.67 1n4k h GLU 461 N 0.00 0.54 -0.03 1.25 5.08 -0.88 -2.96 114.58 117.58 1n4k h GLU 461 Ca -0.00 -0.26 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 1n4k h GLU 461 Cb 0.09 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.34 1n4k h GLU 461 CO 0.01 0.83 0.00 1.63 -1.00 0.00 0.00 179.01 180.48 1n4k n LYS 462 N -4.05 1.40 0.00 2.33 5.02 -0.34 -4.96 118.16 117.55 1n4k n LYS 462 Ca -0.01 -0.58 0.00 0.00 -2.02 0.00 0.00 58.31 55.70 1n4k n LYS 462 Cb 0.49 -1.45 0.00 0.00 -0.02 0.00 0.00 35.03 34.05 1n4k n LYS 462 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1n4k n GLY 463 N 1.07 0.14 3.54 0.72 0.00 -0.88 -5.08 105.19 104.70 1n4k n GLY 463 Ca 0.20 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.09 1n4k n GLY 463 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1n4k s THR 464 N 0.00 0.00 0.23 2.61 -1.32 -1.25 -4.80 115.64 111.11 1n4k s THR 464 Ca 0.00 -1.49 0.03 0.00 -1.21 0.00 0.00 61.69 59.02 1n4k s THR 464 Cb 0.00 -2.58 -0.05 0.00 -1.51 0.00 0.00 72.50 68.36 1n4k s THR 464 CO 0.00 0.00 -0.00 0.27 -2.21 0.00 0.00 174.62 172.68 1n4k s ILE 465 N -3.19 1.03 0.84 5.08 -4.36 -1.26 -4.54 121.20 114.80 1n4k s ILE 465 Ca 0.27 -2.03 -0.12 0.00 -0.26 0.00 0.00 60.65 58.51 1n4k s ILE 465 Cb -0.01 -2.34 0.10 0.00 1.25 0.00 0.00 42.46 41.46 1n4k s ILE 465 CO 0.17 -0.33 1.11 0.42 0.24 0.00 0.00 174.94 176.55 1n4k s THR 466 N -3.42 2.65 0.36 8.37 -4.23 -1.26 -4.87 115.64 113.24 1n4k s THR 466 Ca 0.28 0.21 0.05 0.00 -1.18 0.00 0.00 61.69 61.05 1n4k s THR 466 Cb 0.06 -2.95 0.19 0.00 1.34 0.00 0.00 72.50 71.14 1n4k s THR 466 CO 0.09 -0.28 1.93 -0.61 -0.54 0.00 0.00 174.62 175.20 1n4k h GLN 467 N -1.26 0.54 -0.15 3.99 4.15 -2.01 -2.11 115.11 118.26 1n4k h GLN 467 Ca -0.48 -0.09 -0.18 0.00 0.77 0.00 0.00 58.65 58.67 1n4k h GLN 467 Cb 1.29 -0.09 -0.00 0.00 0.21 0.00 0.00 27.48 28.89 1n4k h GLN 467 CO 0.60 0.50 -0.64 -0.91 -1.93 0.00 0.00 178.83 176.46 1n4k h ASN 468 N 0.53 0.61 -0.35 -0.69 2.35 -1.98 -1.63 115.58 114.42 1n4k h ASN 468 Ca 0.12 -0.36 -0.13 0.00 -0.55 0.00 0.00 56.30 55.38 1n4k h ASN 468 Cb 0.21 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.39 1n4k h ASN 468 CO -0.00 1.09 -0.27 -0.33 -1.65 0.00 0.00 177.43 176.27 1n4k h GLU 469 N 0.39 0.86 -0.46 0.81 5.08 -1.85 0.17 114.58 119.59 1n4k h GLU 469 Ca -0.01 -0.38 -0.11 0.00 -1.00 0.00 0.00 59.36 57.85 1n4k h GLU 469 Cb 1.20 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.42 1n4k h GLU 469 CO 0.12 1.02 -0.15 -0.09 -1.00 0.00 0.00 179.01 178.91 1n4k h ARG 470 N 0.73 0.91 -0.61 2.33 2.43 -1.36 -0.20 114.38 118.61 1n4k h ARG 470 Ca 0.09 -0.37 -0.09 0.00 -0.81 0.00 0.00 59.98 58.80 1n4k h ARG 470 Cb 0.82 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.31 1n4k h ARG 470 CO 0.07 1.02 0.01 -0.09 -1.51 0.00 0.00 179.97 179.47 1n4k h ARG 471 N 0.75 1.07 -0.41 0.20 2.43 -1.09 -1.41 114.38 115.93 1n4k h ARG 471 Ca 0.11 -0.33 -0.07 0.00 -0.81 0.00 0.00 59.98 58.88 1n4k h ARG 471 Cb 0.71 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.14 1n4k h ARG 471 CO 0.05 1.04 -0.03 0.77 -1.51 0.00 0.00 179.97 180.29 1n4k h SER 472 N 0.98 0.73 0.09 -3.80 0.02 -0.44 -1.93 113.55 109.19 1n4k h SER 472 Ca 0.18 -0.32 -0.13 0.00 -0.84 0.00 0.00 61.79 60.67 1n4k h SER 472 Cb 0.54 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.88 1n4k h SER 472 CO 0.03 0.88 -0.44 1.62 -1.14 0.00 0.00 176.83 177.78 1n4k h VAL 473 N 0.56 1.31 0.06 2.27 3.04 -0.95 -0.66 116.25 121.89 1n4k h VAL 473 Ca 0.11 -1.62 -0.00 0.00 -1.01 0.00 0.00 66.70 64.18 1n4k h VAL 473 Cb 0.52 1.66 0.00 0.00 -2.01 0.00 0.00 31.29 31.46 1n4k h VAL 473 CO 0.03 0.50 -0.03 0.74 -1.01 0.00 0.00 177.57 177.80 1n4k h THR 474 N 0.36 1.04 -0.80 3.17 2.02 -1.14 -0.96 112.91 116.59 1n4k h THR 474 Ca 0.03 -0.32 -0.03 0.00 0.77 0.00 0.00 66.41 66.86 1n4k h THR 474 Cb 0.92 1.24 -0.04 0.00 -1.74 0.00 0.00 68.15 68.54 1n4k h THR 474 CO 0.08 0.08 0.39 0.50 0.37 0.00 0.00 175.52 176.94 1n4k h LYS 475 N -0.22 1.14 -0.56 6.66 1.63 -1.27 -2.09 116.57 121.86 1n4k h LYS 475 Ca -0.01 -0.16 -0.06 0.00 -0.85 0.00 0.00 60.65 59.58 1n4k h LYS 475 Cb 0.19 -0.21 -0.02 0.00 -0.60 0.00 0.00 32.23 31.59 1n4k h LYS 475 CO 0.01 0.87 0.12 1.25 -3.45 0.00 0.00 179.45 178.26 1n4k h LEU 476 N 1.13 0.85 -0.72 5.20 5.85 -0.92 -0.11 115.31 126.60 1n4k h LEU 476 Ca 0.28 -0.24 -0.08 0.00 0.84 0.00 0.00 57.88 58.68 1n4k h LEU 476 Cb 0.10 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.88 1n4k h LEU 476 CO -0.04 0.87 0.12 -0.07 -0.34 0.00 0.00 178.44 178.99 1n4k h LEU 477 N 0.80 1.06 -0.71 2.25 3.38 -0.93 0.14 115.31 121.28 1n4k h LEU 477 Ca 0.17 -0.24 -0.07 0.00 0.09 0.00 0.00 57.88 57.83 1n4k h LEU 477 Cb 0.36 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 1n4k h LEU 477 CO 0.00 1.04 0.19 -0.33 0.09 0.00 0.00 178.44 179.43 1n4k h GLU 478 N 1.04 1.13 -0.10 1.13 5.08 -1.15 -1.63 114.58 120.08 1n4k h GLU 478 Ca 0.21 -0.27 -0.06 0.00 -1.00 0.00 0.00 59.36 58.24 1n4k h GLU 478 Cb 0.42 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 1n4k h GLU 478 CO 0.01 0.99 -0.23 -0.44 -1.00 0.00 0.00 179.01 178.34 1n4k h ASP 479 N 1.07 0.17 -0.04 1.42 3.32 -0.44 -1.83 116.42 120.10 1n4k h ASP 479 Ca 0.23 -0.04 -0.14 0.00 0.02 0.00 0.00 57.03 57.09 1n4k h ASP 479 Cb 0.36 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.85 1n4k h ASP 479 CO -0.00 0.41 -0.43 -0.07 -1.72 0.00 0.00 179.24 177.43 1n4k h LEU 480 N 0.16 0.61 0.07 1.55 3.38 -0.09 0.23 115.31 121.22 1n4k h LEU 480 Ca 0.03 -0.28 -0.00 0.00 0.09 0.00 0.00 57.88 57.71 1n4k h LEU 480 Cb 0.50 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1n4k h LEU 480 CO 0.03 0.96 -0.03 0.58 0.09 0.00 0.00 178.44 180.08 1n4k h VAL 481 N 0.46 1.10 -0.96 1.22 2.07 -0.85 -0.51 116.25 118.77 1n4k h VAL 481 Ca 0.03 -0.56 0.08 0.00 0.82 0.00 0.00 66.70 67.06 1n4k h VAL 481 Cb 0.94 1.47 -0.07 0.00 -1.52 0.00 0.00 31.29 32.11 1n4k h VAL 481 CO 0.08 0.14 0.61 0.22 0.02 0.00 0.00 177.57 178.65 1n4k h TYR 482 N -0.34 1.13 0.61 1.57 3.20 -1.27 -1.50 116.97 120.37 1n4k h TYR 482 Ca -0.01 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.86 1n4k h TYR 482 Cb 0.30 -0.37 0.01 0.00 1.54 0.00 0.00 36.73 38.21 1n4k h TYR 482 CO 0.01 0.55 -0.29 0.35 -1.64 0.00 0.00 178.16 177.14 1n4k h PHE 483 N 1.08 -0.76 0.00 -3.82 3.57 -0.79 0.58 116.94 116.79 1n4k h PHE 483 Ca 0.43 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.89 1n4k h PHE 483 Cb 0.23 0.25 -0.00 0.00 2.79 0.00 0.00 35.95 39.22 1n4k h PHE 483 CO -0.01 -0.42 -0.10 -0.24 -2.23 0.00 0.00 178.31 175.31 1n4k h VAL 484 N -1.06 0.36 -0.59 1.41 3.04 -0.97 -2.35 116.25 116.10 1n4k h VAL 484 Ca -0.08 -0.56 0.00 0.00 -1.01 0.00 0.00 66.70 65.04 1n4k h VAL 484 Cb 0.68 1.41 0.00 0.00 -2.01 0.00 0.00 31.29 31.37 1n4k h VAL 484 CO 0.14 0.09 0.00 0.35 -1.01 0.00 0.00 177.57 177.14 1n4k n THR 485 N -3.40 2.48 -3.02 3.17 -2.24 -0.58 -1.62 114.28 109.08 1n4k n THR 485 Ca -0.01 -1.36 -0.20 0.00 -2.27 0.00 0.00 64.05 60.21 1n4k n THR 485 Cb 0.26 -0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.34 1n4k n THR 485 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1n4k n GLY 486 N 0.75 -0.50 2.15 3.38 0.00 -0.88 -0.85 105.19 109.23 1n4k n GLY 486 Ca 0.27 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.36 1n4k n GLY 486 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n4k n GLY 487 N -1.12 0.73 0.21 -0.02 0.00 0.20 -4.92 105.19 100.26 1n4k n GLY 487 Ca -0.07 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.06 1n4k n GLY 487 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1n4k h THR 488 N 0.00 0.02 -3.98 2.61 1.35 -1.23 -3.45 112.91 108.24 1n4k h THR 488 Ca 0.00 -1.03 -0.35 0.00 -0.55 0.00 0.00 66.41 64.48 1n4k h THR 488 Cb 0.00 1.95 -0.25 0.00 -1.73 0.00 0.00 68.15 68.12 1n4k h THR 488 CO 0.00 0.01 -0.76 0.20 -0.25 0.00 0.00 175.52 174.72 1n4k s ASN 489 N -6.12 1.01 -0.03 5.36 0.02 -1.26 -4.66 114.94 109.26 1n4k s ASN 489 Ca 0.06 -0.33 0.19 0.00 -1.02 0.00 0.00 52.86 51.76 1n4k s ASN 489 Cb 0.06 -0.05 -0.29 0.00 0.02 0.00 0.00 41.25 40.98 1n4k s ASN 489 CO 0.69 -0.01 0.41 -1.54 0.02 0.00 0.00 177.10 176.66 1n4k n SER 490 N 2.25 0.71 0.00 -1.22 3.41 -1.26 -3.15 113.62 114.36 1n4k n SER 490 Ca -0.17 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.44 1n4k n SER 490 Cb 0.56 1.85 0.00 0.00 -0.26 0.00 0.00 64.21 66.36 1n4k n SER 490 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1n4k n GLY 491 N 1.44 0.53 0.04 5.00 0.00 -1.26 -4.56 105.19 106.38 1n4k n GLY 491 Ca -0.04 -0.17 0.12 0.00 0.00 0.00 0.00 46.02 45.93 1n4k n GLY 491 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1n4k n GLN 492 N -2.91 0.20 -3.81 1.61 6.02 -1.26 -4.94 117.38 112.29 1n4k n GLN 492 Ca 0.00 0.06 -0.09 0.00 -0.01 0.00 0.00 57.00 56.96 1n4k n GLN 492 Cb 0.00 -1.63 -0.04 0.00 1.02 0.00 0.00 30.24 29.59 1n4k n GLN 492 CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 177.06 176.21 1n4k s ASP 493 N -3.83 -0.21 0.02 1.08 -4.77 -1.26 -5.07 116.67 102.62 1n4k s ASP 493 Ca 0.08 -0.59 -0.13 0.00 -3.30 0.00 0.00 52.55 48.61 1n4k s ASP 493 Cb 0.15 0.59 -0.34 0.00 -1.09 0.00 0.00 42.92 42.23 1n4k s ASP 493 CO 0.70 -1.09 0.95 0.58 0.70 0.00 0.00 175.17 177.01 1n4k h VAL 494 N 2.21 1.24 -0.75 2.11 2.07 -2.04 -3.38 116.25 117.70 1n4k h VAL 494 Ca -0.27 -2.71 0.12 0.00 0.82 0.00 0.00 66.70 64.66 1n4k h VAL 494 Cb 1.26 2.98 -0.05 0.00 -1.52 0.00 0.00 31.29 33.95 1n4k h VAL 494 CO 0.36 0.83 0.50 -0.07 0.02 0.00 0.00 177.57 179.21 1n4k h LEU 495 N 0.13 0.50 -1.80 2.57 3.38 -2.03 -2.04 115.31 116.02 1n4k h LEU 495 Ca -0.26 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1n4k h LEU 495 Cb 2.14 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 42.81 1n4k h LEU 495 CO 0.25 0.28 0.00 1.05 0.09 0.00 0.00 178.44 180.11 1n4k h GLU 496 N 0.54 0.00 -0.59 1.13 4.11 -1.99 -3.21 114.58 114.58 1n4k h GLU 496 Ca 0.36 0.00 0.17 0.00 0.07 0.00 0.00 59.36 59.96 1n4k h GLU 496 Cb 0.66 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.88 1n4k h GLU 496 CO -0.13 0.00 0.49 -0.24 0.07 0.00 0.00 179.01 179.20 1n4k h VAL 497 N 0.00 0.52 0.00 -1.06 3.04 -1.61 0.09 116.25 117.23 1n4k h VAL 497 Ca 0.00 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.68 1n4k h VAL 497 Cb 0.25 0.64 -0.00 0.00 -2.01 0.00 0.00 31.29 30.17 1n4k h VAL 497 CO 0.00 0.00 -0.07 0.58 -1.01 0.00 0.00 177.57 177.07 1n4k h VAL 498 N 0.00 0.61 -0.58 1.51 2.07 -1.80 -2.53 116.25 115.53 1n4k h VAL 498 Ca 0.28 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.51 1n4k h VAL 498 Cb 1.26 1.19 0.00 0.00 -1.52 0.00 0.00 31.29 32.22 1n4k h VAL 498 CO -0.00 0.07 0.00 0.49 0.02 0.00 0.00 177.57 178.15 1n4k n PHE 499 N -3.81 1.16 -2.47 1.57 3.01 0.02 -4.99 117.46 111.95 1n4k n PHE 499 Ca -0.02 -0.60 -0.41 0.00 1.01 0.00 0.00 57.45 57.43 1n4k n PHE 499 Cb 0.17 -0.17 -0.04 0.00 -0.01 0.00 0.00 39.48 39.43 1n4k n PHE 499 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 1n4k s SER 500 N -1.05 7.22 -0.07 4.37 1.04 -0.96 -4.82 113.70 119.43 1n4k s SER 500 Ca 0.45 2.19 0.01 0.00 0.48 0.00 0.00 55.95 59.08 1n4k s SER 500 Cb 0.28 -2.61 0.02 0.00 0.10 0.00 0.00 66.02 63.81 1n4k s SER 500 CO 0.23 -0.23 -0.08 -0.54 0.98 0.00 0.00 173.24 173.60 1n4k s LYS 501 N -0.73 1.35 0.29 4.02 1.02 -1.26 -5.09 119.74 119.35 1n4k s LYS 501 Ca 0.48 -0.25 -0.23 0.00 0.02 0.00 0.00 55.97 56.00 1n4k s LYS 501 Cb -0.31 -1.29 -0.09 0.00 -0.52 0.00 0.00 37.83 35.62 1n4k s LYS 501 CO 0.38 -0.11 0.86 -1.25 -0.92 0.00 0.00 175.35 174.30 1n4k s PRO 502 N 1.14 4.42 -0.47 -1.68 0.04 -1.26 -4.21 135.00 132.98 1n4k s PRO 502 Ca -0.06 1.12 -0.16 0.00 0.04 0.00 0.00 61.00 61.94 1n4k s PRO 502 Cb -0.14 -2.77 0.07 0.00 0.04 0.00 0.00 34.50 31.70 1n4k s PRO 502 CO -0.01 0.30 0.40 1.21 0.04 0.00 0.00 177.00 178.93 1n4k s ASN 503 N -1.69 6.15 0.18 6.66 3.84 -0.64 -4.95 114.94 124.49 1n4k s ASN 503 Ca 0.49 -1.29 -0.14 0.00 0.21 0.00 0.00 52.86 52.12 1n4k s ASN 503 Cb -0.17 -2.19 0.16 0.00 -0.55 0.00 0.00 41.25 38.50 1n4k s ASN 503 CO 0.22 -0.64 1.71 -0.09 -2.79 0.00 0.00 177.10 175.51 1n4k h ARG 504 N 8.75 0.18 -0.66 0.43 9.65 -1.95 -1.21 114.38 129.57 1n4k h ARG 504 Ca -0.28 -0.01 0.05 0.00 -1.10 0.00 0.00 59.98 58.64 1n4k h ARG 504 Cb 1.11 -0.04 -0.04 0.00 -1.39 0.00 0.00 29.97 29.61 1n4k h ARG 504 CO 0.87 0.12 0.43 0.93 2.80 0.00 0.00 179.97 185.12 1n4k h GLU 505 N 0.18 0.68 -0.04 0.20 4.39 -1.98 -0.29 114.58 117.73 1n4k h GLU 505 Ca 0.23 -0.04 -0.23 0.00 0.34 0.00 0.00 59.36 59.66 1n4k h GLU 505 Cb 0.31 -0.15 0.01 0.00 -0.10 0.00 0.00 28.75 28.81 1n4k h GLU 505 CO -0.32 0.45 -0.90 0.00 -1.16 0.00 0.00 179.01 177.08 1n4k h ARG 506 N 0.70 0.54 -0.90 2.33 3.08 -1.72 -1.35 114.38 117.05 1n4k h ARG 506 Ca 0.28 -0.53 0.01 0.00 0.07 0.00 0.00 59.98 59.81 1n4k h ARG 506 Cb 0.21 0.14 -0.04 0.00 0.08 0.00 0.00 29.97 30.35 1n4k h ARG 506 CO -0.08 1.16 0.60 1.96 -1.07 0.00 0.00 179.97 182.53 1n4k h GLN 507 N 0.33 1.18 -0.61 0.04 4.20 -0.44 -0.30 115.11 119.51 1n4k h GLN 507 Ca -0.08 -0.07 -0.06 0.00 0.06 0.00 0.00 58.65 58.50 1n4k h GLN 507 Cb 1.52 -0.27 -0.02 0.00 0.30 0.00 0.00 27.48 29.01 1n4k h GLN 507 CO 0.17 0.78 0.14 -0.22 -0.67 0.00 0.00 178.83 179.02 1n4k h LYS 508 N 1.21 0.98 -0.81 1.46 3.64 -0.97 -2.66 116.57 119.43 1n4k h LYS 508 Ca 0.33 -0.24 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 1n4k h LYS 508 Cb -0.13 -0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 31.52 1n4k h LYS 508 CO -0.07 0.90 0.51 1.25 -2.27 0.00 0.00 179.45 179.77 1n4k h LEU 509 N 0.90 0.96 -0.96 5.20 5.85 -0.27 -0.87 115.31 126.11 1n4k h LEU 509 Ca 0.19 -0.04 0.06 0.00 0.84 0.00 0.00 57.88 58.93 1n4k h LEU 509 Cb 0.37 -0.24 -0.06 0.00 0.37 0.00 0.00 40.66 41.09 1n4k h LEU 509 CO 0.00 0.72 0.62 0.24 -0.34 0.00 0.00 178.44 179.68 1n4k h MET 510 N 1.11 1.11 0.05 1.25 2.86 -0.73 0.43 114.93 121.01 1n4k h MET 510 Ca 0.29 -0.07 -0.00 0.00 -2.06 0.00 0.00 59.70 57.87 1n4k h MET 510 Cb -0.08 -0.25 0.00 0.00 0.06 0.00 0.00 31.60 31.33 1n4k h MET 510 CO -0.06 0.74 -0.03 -0.09 1.06 0.00 0.00 176.91 178.53 1n4k h ARG 511 N 1.14 -0.07 -0.81 1.72 2.43 -1.33 -0.46 114.38 117.00 1n4k h ARG 511 Ca 0.41 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.59 1n4k h ARG 511 Cb 0.12 0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.65 1n4k h ARG 511 CO -0.16 0.54 0.52 0.93 -1.51 0.00 0.00 179.97 180.29 1n4k h GLU 512 N -0.89 1.07 -0.75 0.20 5.08 -1.06 -2.42 114.58 115.81 1n4k h GLU 512 Ca -0.01 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1n4k h GLU 512 Cb 0.64 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.65 1n4k h GLU 512 CO 0.01 0.72 0.00 1.04 -1.00 0.00 0.00 179.01 179.78 1n4k n GLN 513 N -4.40 2.96 -1.58 2.33 1.13 0.13 -4.91 117.38 113.03 1n4k n GLN 513 Ca 0.09 -1.63 -0.20 0.00 -1.94 0.00 0.00 57.00 53.33 1n4k n GLN 513 Cb 0.04 -1.86 -0.08 0.00 0.11 0.00 0.00 30.24 28.45 1n4k n GLN 513 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1n4k n ASN 514 N 0.35 -5.36 -0.09 1.08 3.02 -0.91 -4.76 115.26 108.59 1n4k n ASN 514 Ca 0.14 0.48 -0.11 0.00 -0.03 0.00 0.00 54.58 55.06 1n4k n ASN 514 Cb 0.71 -4.58 -0.04 0.00 -0.61 0.00 0.00 39.78 35.27 1n4k n ASN 514 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1n4k h ILE 515 N 0.00 1.22 -0.87 2.41 1.08 -1.33 -1.35 117.51 118.68 1n4k h ILE 515 Ca -0.40 -0.75 -0.01 0.00 -0.39 0.00 0.00 64.86 63.31 1n4k h ILE 515 Cb 1.28 1.20 -0.04 0.00 -3.07 0.00 0.00 36.82 36.19 1n4k h ILE 515 CO 0.59 0.24 0.48 -0.07 -0.69 0.00 0.00 178.15 178.70 1n4k h LEU 516 N 0.26 1.07 -0.53 1.44 3.38 -1.69 -1.09 115.31 118.15 1n4k h LEU 516 Ca 0.08 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1n4k h LEU 516 Cb 0.31 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 1n4k h LEU 516 CO 0.00 0.85 0.34 0.50 0.09 0.00 0.00 178.44 180.23 1n4k h LYS 517 N 1.21 0.71 -0.20 1.13 3.64 -1.76 -2.23 116.57 119.06 1n4k h LYS 517 Ca 0.31 -0.05 -0.08 0.00 -1.27 0.00 0.00 60.65 59.56 1n4k h LYS 517 Cb 0.01 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.66 1n4k h LYS 517 CO -0.05 0.48 -0.23 1.96 -2.27 0.00 0.00 179.45 179.34 1n4k h GLN 518 N 0.72 0.37 -0.36 1.90 1.08 -0.63 -2.43 115.11 115.76 1n4k h GLN 518 Ca 0.19 -0.12 -0.01 0.00 -1.45 0.00 0.00 58.65 57.26 1n4k h GLN 518 Cb -0.06 -0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.32 1n4k h GLN 518 CO -0.04 0.58 0.18 0.82 -0.95 0.00 0.00 178.83 179.42 1n4k h ILE 519 N 0.33 1.16 -0.31 2.54 1.08 -0.72 -0.83 117.51 120.75 1n4k h ILE 519 Ca 0.05 -0.45 -0.06 0.00 -0.39 0.00 0.00 64.86 64.01 1n4k h ILE 519 Cb 0.59 0.81 -0.02 0.00 -3.07 0.00 0.00 36.82 35.13 1n4k h ILE 519 CO 0.04 0.17 -0.07 -0.26 -0.69 0.00 0.00 178.15 177.34 1n4k h PHE 520 N 0.44 0.54 -0.79 1.37 -1.00 -1.21 0.80 116.94 117.10 1n4k h PHE 520 Ca 0.12 -0.07 -0.03 0.00 2.81 0.00 0.00 57.97 60.80 1n4k h PHE 520 Cb 0.11 -0.15 -0.04 0.00 3.61 0.00 0.00 35.95 39.48 1n4k h PHE 520 CO -0.02 0.58 0.38 -0.22 -1.61 0.00 0.00 178.31 177.41 1n4k h LYS 521 N 0.48 1.13 -0.20 1.51 3.64 -1.01 0.46 116.57 122.58 1n4k h LYS 521 Ca 0.10 -0.17 -0.03 0.00 -1.27 0.00 0.00 60.65 59.28 1n4k h LYS 521 Cb 0.42 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 1n4k h LYS 521 CO 0.02 0.88 0.01 1.25 -2.27 0.00 0.00 179.45 179.34 1n4k h LEU 522 N 1.11 0.34 -1.20 5.20 6.46 -0.26 -1.09 115.31 125.87 1n4k h LEU 522 Ca 0.27 -0.29 0.01 0.00 -0.12 0.00 0.00 57.88 57.74 1n4k h LEU 522 Cb 0.12 -0.09 -0.04 0.00 -0.73 0.00 0.00 40.66 39.92 1n4k h LEU 522 CO -0.03 0.55 0.53 -0.07 -0.62 0.00 0.00 178.44 178.79 1n4k h LEU 523 N 0.12 0.93 -0.49 2.25 4.07 -0.47 -2.82 115.31 118.90 1n4k h LEU 523 Ca 0.06 -0.03 -0.17 0.00 0.08 0.00 0.00 57.88 57.82 1n4k h LEU 523 Cb 0.37 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 41.86 1n4k h LEU 523 CO 0.01 0.68 -0.73 -0.61 -1.08 0.00 0.00 178.44 176.71 1n4k h GLN 524 N 1.10 0.20 -0.94 1.13 4.15 -0.74 -3.37 115.11 116.63 1n4k h GLN 524 Ca 0.29 -0.17 0.18 0.00 0.77 0.00 0.00 58.65 59.73 1n4k h GLN 524 Cb -0.12 0.04 -0.18 0.00 0.21 0.00 0.00 27.48 27.44 1n4k h GLN 524 CO -0.06 0.84 -0.25 0.00 -1.93 0.00 0.00 178.83 177.43 1n4k h ALA 525 N 1.11 0.57 0.00 3.38 0.00 -0.92 0.83 119.26 124.22 1n4k h ALA 525 Ca -0.02 0.35 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1n4k h ALA 525 Cb 1.29 0.74 0.00 0.00 0.00 0.00 0.00 17.79 19.82 1n4k h ALA 525 CO 0.11 -0.41 0.00 -0.35 0.00 0.00 0.00 179.25 178.60 1n4k n PRO 526 N -5.58 0.40 0.00 0.00 -0.04 -1.26 -2.54 135.00 125.98 1n4k n PRO 526 Ca 0.14 0.03 0.02 0.00 -0.04 0.00 0.00 63.50 63.64 1n4k n PRO 526 Cb 0.46 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.43 1n4k n PRO 526 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1n4k n PHE 527 N -1.05 0.00 0.13 0.54 3.01 0.27 -5.19 117.46 115.18 1n4k n PHE 527 Ca 0.10 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.56 1n4k n PHE 527 Cb 0.06 0.00 0.13 0.00 -0.01 0.00 0.00 39.48 39.66 1n4k n PHE 527 CO 0.00 0.00 0.00 1.15 1.01 0.00 0.00 176.76 178.92 1n4k h THR 528 N 0.49 1.24 -0.83 4.37 2.02 -1.33 -3.49 112.91 115.39 1n4k h THR 528 Ca 0.00 -2.26 0.00 0.00 0.77 0.00 0.00 66.41 64.92 1n4k h THR 528 Cb 0.12 2.29 0.00 0.00 -1.74 0.00 0.00 68.15 68.82 1n4k h THR 528 CO 0.00 0.60 0.00 1.57 0.37 0.00 0.00 175.52 178.06 1n4k n HIS 546 N -3.52 0.00 -0.24 3.16 -0.00 -1.26 -5.07 115.22 108.28 1n4k n HIS 546 Ca -0.00 0.00 -0.05 0.00 0.46 0.00 0.00 57.72 58.13 1n4k n HIS 546 Cb 0.68 0.00 0.05 0.00 -0.12 0.00 0.00 29.99 30.60 1n4k n HIS 546 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1n4k h ALA 547 N -0.75 0.86 -0.08 1.57 0.00 -2.05 -1.97 119.26 116.84 1n4k h ALA 547 Ca 0.00 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 1n4k h ALA 547 Cb 0.00 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1n4k h ALA 547 CO 0.00 0.29 -0.27 -1.00 0.00 0.00 0.00 179.25 178.27 1n4k h PRO 548 N 0.92 0.14 -0.11 0.00 0.13 -2.02 -1.05 132.00 130.01 1n4k h PRO 548 Ca 0.25 -0.05 -0.02 0.00 -0.87 0.00 0.00 66.00 65.31 1n4k h PRO 548 Cb -0.10 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 31.01 1n4k h PRO 548 CO -0.05 0.41 -0.02 0.35 -0.23 0.00 0.00 178.00 178.46 1n4k h PHE 549 N 0.13 0.23 -0.61 1.56 3.57 -1.88 -0.86 116.94 119.07 1n4k h PHE 549 Ca 0.02 -0.05 -0.00 0.00 3.53 0.00 0.00 57.97 61.47 1n4k h PHE 549 Cb 0.55 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.20 1n4k h PHE 549 CO 0.01 0.49 0.37 -0.09 -2.23 0.00 0.00 178.31 176.86 1n4k h ARG 550 N -0.10 0.83 -0.49 1.11 2.43 -1.16 -1.03 114.38 115.96 1n4k h ARG 550 Ca 0.03 -0.07 -0.03 0.00 -0.81 0.00 0.00 59.98 59.11 1n4k h ARG 550 Cb 0.41 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.76 1n4k h ARG 550 CO 0.01 0.58 0.21 1.25 -1.51 0.00 0.00 179.97 180.50 1n4k h HIS 551 N 0.84 0.74 -0.54 2.20 2.76 -0.94 0.22 115.15 120.44 1n4k h HIS 551 Ca 0.22 -0.05 -0.03 0.00 -2.20 0.00 0.00 60.37 58.32 1n4k h HIS 551 Cb -0.04 -0.22 -0.02 0.00 1.55 0.00 0.00 27.41 28.67 1n4k h HIS 551 CO 0.00 0.61 0.24 0.82 -1.30 0.00 0.00 177.93 178.30 1n4k h ILE 552 N 0.65 1.21 -0.53 6.26 2.04 -0.16 -1.48 117.51 125.50 1n4k h ILE 552 Ca 0.17 -0.62 -0.05 0.00 1.00 0.00 0.00 64.86 65.35 1n4k h ILE 552 Cb 0.18 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 36.85 1n4k h ILE 552 CO -0.02 0.24 0.13 0.00 0.00 0.00 0.00 178.15 178.51 1n4k h ARG 554 N 0.75 0.45 -0.36 0.00 2.43 -0.76 -1.67 114.38 115.22 1n4k h ARG 554 Ca 0.17 -0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 59.26 1n4k h ARG 554 Cb 0.34 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.77 1n4k h ARG 554 CO 0.00 0.30 0.01 -0.07 -1.51 0.00 0.00 179.97 178.70 1n4k h LEU 555 N 0.46 0.51 0.00 3.80 3.38 -0.95 -1.18 115.31 121.33 1n4k h LEU 555 Ca 0.20 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 1n4k h LEU 555 Cb 0.11 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1n4k h LEU 555 CO -0.14 0.58 -0.00 0.00 0.09 0.00 0.00 178.44 178.96 1n4k h TYR 557 N -0.04 0.00 -0.35 0.00 -1.99 -1.05 -1.69 116.97 111.84 1n4k h TYR 557 Ca -0.00 0.00 -0.13 0.00 2.00 0.00 0.00 58.73 60.60 1n4k h TYR 557 Cb 0.04 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.77 1n4k h TYR 557 CO -0.06 0.22 -0.28 -0.09 -0.00 0.00 0.00 178.16 177.95 1n4k h ARG 558 N 0.00 0.81 -0.67 4.88 9.65 -0.61 0.45 114.38 128.88 1n4k h ARG 558 Ca -0.00 -0.40 -0.07 0.00 -1.10 0.00 0.00 59.98 58.41 1n4k h ARG 558 Cb 0.44 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 28.99 1n4k h ARG 558 CO 0.03 1.03 0.14 0.28 2.80 0.00 0.00 179.97 184.25 1n4k h VAL 559 N 0.59 1.26 -0.60 0.20 2.07 -0.56 -2.21 116.25 117.00 1n4k h VAL 559 Ca 0.06 -0.98 -0.05 0.00 0.82 0.00 0.00 66.70 66.55 1n4k h VAL 559 Cb 0.85 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 31.18 1n4k h VAL 559 CO 0.07 0.37 0.18 -0.07 0.02 0.00 0.00 177.57 178.14 1n4k h LEU 560 N 1.03 0.89 0.01 2.57 3.38 -1.10 -0.87 115.31 121.22 1n4k h LEU 560 Ca 0.21 -0.22 0.03 0.00 0.09 0.00 0.00 57.88 57.99 1n4k h LEU 560 Cb 0.39 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 1n4k h LEU 560 CO 0.01 0.87 -0.18 -0.09 0.09 0.00 0.00 178.44 179.13 1n4k h ARG 561 N 0.86 -0.29 0.00 1.13 2.43 -0.48 -2.31 114.38 115.72 1n4k h ARG 561 Ca 0.19 0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.36 1n4k h ARG 561 Cb 0.31 0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.92 1n4k h ARG 561 CO -0.00 -0.20 -0.09 0.45 -1.51 0.00 0.00 179.97 178.62 1n4k h HIS 562 N -0.30 0.00 0.00 2.20 3.86 -1.35 -2.13 115.15 117.42 1n4k h HIS 562 Ca 0.05 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.22 1n4k h HIS 562 Cb 0.37 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.84 1n4k h HIS 562 CO -0.23 0.09 -0.20 0.77 0.86 0.00 0.00 177.93 179.23 1n4k h SER 563 N 0.00 0.00 -0.01 2.45 0.02 -0.77 -3.19 113.55 112.04 1n4k h SER 563 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1n4k h SER 563 Cb 0.82 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.36 1n4k h SER 563 CO 0.01 0.20 -0.17 0.00 -1.14 0.00 0.00 176.83 175.73 1n4k n GLN 564 N -3.26 1.55 -1.62 3.45 10.64 -0.90 -4.79 117.38 122.45 1n4k n GLN 564 Ca 0.01 -0.89 -0.48 0.00 -1.83 0.00 0.00 57.00 53.82 1n4k n GLN 564 Cb 0.48 -1.19 -0.05 0.00 -0.86 0.00 0.00 30.24 28.62 1n4k n GLN 564 CO 0.00 0.00 0.00 0.94 -1.83 0.00 0.00 177.06 176.17 1n4k n GLN 565 N 0.12 1.94 -2.84 2.61 7.27 -0.82 -1.61 117.38 124.04 1n4k n GLN 565 Ca 0.06 0.65 -0.19 0.00 0.07 0.00 0.00 57.00 57.59 1n4k n GLN 565 Cb 0.29 -2.74 0.01 0.00 2.41 0.00 0.00 30.24 30.20 1n4k n GLN 565 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 1n4k n ASP 566 N 8.38 -4.74 -3.63 1.69 8.00 -1.26 -4.84 116.55 120.14 1n4k n ASP 566 Ca 0.28 -0.13 -0.29 0.00 0.71 0.00 0.00 54.79 55.36 1n4k n ASP 566 Cb 0.32 -3.93 -0.14 0.00 -0.02 0.00 0.00 41.12 37.36 1n4k n ASP 566 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1n4k s TYR 567 N -2.92 1.39 0.19 1.24 6.04 -0.63 -5.02 117.35 117.63 1n4k s TYR 567 Ca 0.19 -1.85 -0.15 0.00 0.04 0.00 0.00 57.07 55.30 1n4k s TYR 567 Cb -0.09 -1.47 0.17 0.00 -1.04 0.00 0.00 41.96 39.52 1n4k s TYR 567 CO 0.24 -0.83 1.65 -0.09 -1.54 0.00 0.00 175.55 174.98 1n4k h ARG 568 N 7.37 0.00 -0.65 4.97 2.43 -1.92 -1.52 114.38 125.06 1n4k h ARG 568 Ca -0.05 -0.00 0.07 0.00 -0.81 0.00 0.00 59.98 59.19 1n4k h ARG 568 Cb 0.97 -0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 30.46 1n4k h ARG 568 CO 0.42 0.00 0.34 -0.22 -1.51 0.00 0.00 179.97 178.99 1n4k h LYS 569 N 0.00 0.59 0.00 0.20 3.64 -1.95 -2.17 116.57 116.89 1n4k h LYS 569 Ca 0.25 -0.04 -0.12 0.00 -1.27 0.00 0.00 60.65 59.47 1n4k h LYS 569 Cb 0.38 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.05 1n4k h LYS 569 CO -0.53 0.39 -0.58 -0.91 -2.27 0.00 0.00 179.45 175.56 1n4k h ASN 570 N 0.61 0.00 -0.28 4.20 4.21 -1.69 -2.01 115.58 120.62 1n4k h ASN 570 Ca 0.30 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.80 1n4k h ASN 570 Cb 0.24 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.43 1n4k h ASN 570 CO -0.21 0.58 0.13 1.56 -1.29 0.00 0.00 177.43 178.19 1n4k h GLN 571 N 0.00 0.41 -0.51 0.81 4.20 -0.74 0.14 115.11 119.42 1n4k h GLN 571 Ca -0.01 -0.06 -0.09 0.00 0.06 0.00 0.00 58.65 58.55 1n4k h GLN 571 Cb 1.07 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.76 1n4k h GLN 571 CO 0.07 0.41 -0.04 0.93 -0.67 0.00 0.00 178.83 179.53 1n4k h GLU 572 N 0.31 0.93 -0.01 1.46 5.08 -1.34 -0.13 114.58 120.88 1n4k h GLU 572 Ca 0.09 -0.32 -0.00 0.00 -1.00 0.00 0.00 59.36 58.14 1n4k h GLU 572 Cb 0.14 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.32 1n4k h GLU 572 CO -0.01 0.97 0.00 -0.92 -1.00 0.00 0.00 179.01 178.06 1n4k h TYR 573 N 0.79 0.01 -0.55 4.33 3.20 -1.18 -1.44 116.97 122.14 1n4k h TYR 573 Ca 0.14 -0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.91 1n4k h TYR 573 Cb 0.58 -0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.83 1n4k h TYR 573 CO 0.04 0.12 -0.03 0.82 -1.64 0.00 0.00 178.16 177.47 1n4k h ILE 574 N -0.09 1.26 -0.36 1.81 2.04 -0.65 -1.26 117.51 120.25 1n4k h ILE 574 Ca 0.00 -1.14 -0.08 0.00 1.00 0.00 0.00 64.86 64.64 1n4k h ILE 574 Cb 0.11 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 37.04 1n4k h ILE 574 CO -0.00 0.41 -0.10 0.00 0.00 0.00 0.00 178.15 178.45 1n4k h ALA 575 N 1.08 1.16 -0.11 1.87 0.00 -0.96 -0.77 119.26 121.52 1n4k h ALA 575 Ca 0.16 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 1n4k h ALA 575 Cb 0.56 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 1n4k h ALA 575 CO 0.03 0.54 -0.03 -0.22 0.00 0.00 0.00 179.25 179.56 1n4k h LYS 576 N 0.57 0.22 -0.49 0.00 3.64 -0.96 -1.66 116.57 117.88 1n4k h LYS 576 Ca 0.10 -0.09 -0.03 0.00 -1.27 0.00 0.00 60.65 59.36 1n4k h LYS 576 Cb 0.51 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.30 1n4k h LYS 576 CO 0.03 0.54 0.18 1.96 -2.27 0.00 0.00 179.45 179.88 1n4k h GLN 577 N -0.11 0.71 -0.49 1.90 1.08 -1.08 -0.83 115.11 116.30 1n4k h GLN 577 Ca 0.03 -0.11 -0.08 0.00 -1.45 0.00 0.00 58.65 57.04 1n4k h GLN 577 Cb 0.46 -0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 27.75 1n4k h GLN 577 CO 0.01 0.60 -0.01 0.35 -0.95 0.00 0.00 178.83 178.84 1n4k h PHE 578 N 0.70 0.94 -0.61 2.96 3.57 -1.02 -0.05 116.94 123.44 1n4k h PHE 578 Ca 0.17 -0.17 -0.02 0.00 3.53 0.00 0.00 57.97 61.49 1n4k h PHE 578 Cb 0.17 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 38.64 1n4k h PHE 578 CO 0.01 0.89 0.32 0.78 -2.23 0.00 0.00 178.31 178.08 1n4k h GLY 579 N 0.72 0.92 0.90 2.40 0.00 -0.79 -1.58 103.07 105.64 1n4k h GLY 579 Ca 0.14 -0.43 -0.01 0.00 0.00 0.00 0.00 47.33 47.02 1n4k h GLY 579 CO 0.03 0.41 0.10 0.74 0.00 0.00 0.00 176.54 177.82 1n4k h PHE 580 N 0.82 0.39 -0.68 5.60 0.04 -0.91 -2.32 116.94 119.87 1n4k h PHE 580 Ca 0.21 -0.03 0.06 0.00 2.80 0.00 0.00 57.97 61.01 1n4k h PHE 580 Cb 0.07 -0.12 -0.06 0.00 2.20 0.00 0.00 35.95 38.05 1n4k h PHE 580 CO -0.01 0.40 0.38 1.98 -0.60 0.00 0.00 178.31 180.47 1n4k h MET 581 N 0.26 0.67 -0.66 1.51 4.05 -0.82 0.25 114.93 120.20 1n4k h MET 581 Ca 0.08 -0.04 0.02 0.00 -0.28 0.00 0.00 59.70 59.48 1n4k h MET 581 Cb 0.18 -0.15 -0.04 0.00 -0.80 0.00 0.00 31.60 30.79 1n4k h MET 581 CO -0.01 0.45 0.42 0.37 0.23 0.00 0.00 176.91 178.37 1n4k h GLN 582 N 0.69 0.81 -0.29 0.39 4.15 -1.12 0.13 115.11 119.87 1n4k h GLN 582 Ca 0.31 -0.05 -0.14 0.00 0.77 0.00 0.00 58.65 59.54 1n4k h GLN 582 Cb 0.20 -0.18 -0.00 0.00 0.21 0.00 0.00 27.48 27.71 1n4k h GLN 582 CO -0.19 0.54 -0.36 0.87 -1.93 0.00 0.00 178.83 177.76 1n4k h LYS 583 N 0.84 0.75 -0.83 1.69 1.57 -0.79 -1.25 116.57 118.55 1n4k h LYS 583 Ca 0.26 -0.42 -0.03 0.00 -1.87 0.00 0.00 60.65 58.58 1n4k h LYS 583 Cb -0.03 0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.27 1n4k h LYS 583 CO -0.09 1.05 0.40 0.37 -0.57 0.00 0.00 179.45 180.61 1n4k h GLN 584 N 0.51 1.20 -0.34 3.15 5.75 -0.17 -2.70 115.11 122.50 1n4k h GLN 584 Ca 0.04 -0.18 -0.15 0.00 -0.15 0.00 0.00 58.65 58.21 1n4k h GLN 584 Cb 0.94 -0.22 -0.00 0.00 1.07 0.00 0.00 27.48 29.27 1n4k h GLN 584 CO 0.09 0.92 -0.39 0.82 -2.65 0.00 0.00 178.83 177.61 1n4k h ILE 585 N 1.18 1.28 0.00 2.39 2.04 -0.70 -3.50 117.51 120.20 1n4k h ILE 585 Ca 0.29 -1.57 0.00 0.00 1.00 0.00 0.00 64.86 64.58 1n4k h ILE 585 Cb 0.12 1.50 0.00 0.00 -0.74 0.00 0.00 36.82 37.70 1n4k h ILE 585 CO -0.04 0.52 0.00 0.61 0.00 0.00 0.00 178.15 179.24 1n4k n GLY 586 N 0.20 2.17 0.19 5.37 0.00 -0.48 -4.70 105.19 107.94 1n4k n GLY 586 Ca -0.03 -1.41 0.14 0.00 0.00 0.00 0.00 46.02 44.71 1n4k n GLY 586 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1n4k h TYR 587 N 0.00 0.00 -0.50 1.61 -1.99 -1.85 -3.16 116.97 111.08 1n4k h TYR 587 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1n4k h TYR 587 Cb 0.00 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.73 1n4k h TYR 587 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 178.16 177.91 1n4k n ASP 588 N -2.61 3.36 -0.28 3.88 10.43 -1.26 -4.67 116.55 125.40 1n4k n ASP 588 Ca 0.02 -2.02 0.12 0.00 2.57 0.00 0.00 54.79 55.48 1n4k n ASP 588 Cb 0.31 -0.34 0.37 0.00 1.84 0.00 0.00 41.12 43.29 1n4k n ASP 588 CO 0.00 0.00 0.00 1.62 -1.07 0.00 0.00 177.20 177.75 1n4k h VAL 589 N 2.93 0.83 -0.07 2.53 3.04 -1.83 -1.13 116.25 122.56 1n4k h VAL 589 Ca 0.00 -0.24 -0.23 0.00 -1.01 0.00 0.00 66.70 65.22 1n4k h VAL 589 Cb 0.85 0.06 0.01 0.00 -2.01 0.00 0.00 31.29 30.20 1n4k h VAL 589 CO 0.01 0.13 -0.85 -0.07 -1.01 0.00 0.00 177.57 175.78 1n4k h LEU 590 N 0.71 0.87 -0.28 3.16 3.38 -1.87 -1.69 115.31 119.59 1n4k h LEU 590 Ca 0.46 -0.69 -0.01 0.00 0.09 0.00 0.00 57.88 57.73 1n4k h LEU 590 Cb 0.71 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 1n4k h LEU 590 CO -0.21 1.43 0.15 0.00 0.09 0.00 0.00 178.44 179.89 1n4k h ALA 591 N 0.46 0.36 -0.91 1.53 0.00 -1.75 0.12 119.26 119.07 1n4k h ALA 591 Ca -0.09 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1n4k h ALA 591 Cb 1.50 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 19.13 1n4k h ALA 591 CO 0.17 -0.09 0.53 1.49 0.00 0.00 0.00 179.25 181.35 1n4k h GLU 592 N 0.33 1.24 -0.58 0.00 4.57 -1.27 -1.65 114.58 117.22 1n4k h GLU 592 Ca 0.10 -0.12 -0.08 0.00 -1.18 0.00 0.00 59.36 58.08 1n4k h GLU 592 Cb 0.09 -0.26 -0.02 0.00 -0.16 0.00 0.00 28.75 28.40 1n4k h GLU 592 CO -0.01 0.88 0.05 0.22 -1.18 0.00 0.00 179.01 178.96 1n4k h ASP 593 N 1.26 0.97 -0.58 1.04 3.58 -0.90 -1.40 116.42 120.38 1n4k h ASP 593 Ca 0.32 -0.29 -0.03 0.00 0.42 0.00 0.00 57.03 57.46 1n4k h ASP 593 Cb -0.03 -0.26 -0.03 0.00 1.72 0.00 0.00 39.33 40.73 1n4k h ASP 593 CO -0.06 1.02 0.25 0.74 -2.88 0.00 0.00 179.24 178.31 1n4k h THR 594 N 0.89 1.22 -0.36 2.25 2.02 -0.60 0.31 112.91 118.64 1n4k h THR 594 Ca 0.17 -0.66 -0.01 0.00 0.77 0.00 0.00 66.41 66.68 1n4k h THR 594 Cb 0.49 0.57 -0.02 0.00 -1.74 0.00 0.00 68.15 67.45 1n4k h THR 594 CO 0.02 0.26 0.21 0.40 0.37 0.00 0.00 175.52 176.78 1n4k h ILE 595 N 0.80 1.14 -0.58 3.11 2.04 -1.13 -0.37 117.51 122.52 1n4k h ILE 595 Ca 0.20 -0.34 -0.01 0.00 1.00 0.00 0.00 64.86 65.71 1n4k h ILE 595 Cb 0.17 0.70 -0.03 0.00 -0.74 0.00 0.00 36.82 36.92 1n4k h ILE 595 CO -0.02 0.14 0.34 0.74 0.00 0.00 0.00 178.15 179.35 1n4k h THR 596 N 0.47 1.18 -0.54 -0.27 2.02 -0.97 0.36 112.91 115.15 1n4k h THR 596 Ca 0.13 -0.41 -0.03 0.00 0.77 0.00 0.00 66.41 66.87 1n4k h THR 596 Cb 0.04 0.41 -0.02 0.00 -1.74 0.00 0.00 68.15 66.84 1n4k h THR 596 CO -0.02 0.19 0.23 0.00 0.37 0.00 0.00 175.52 176.29 1n4k h ALA 597 N 1.16 0.70 -0.33 6.16 0.00 -0.65 -2.47 119.26 123.83 1n4k h ALA 597 Ca 0.21 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 1n4k h ALA 597 Cb 0.00 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1n4k h ALA 597 CO -0.04 0.29 -0.19 -0.07 0.00 0.00 0.00 179.25 179.25 1n4k h LEU 598 N 0.73 0.61 -1.73 0.00 3.38 -0.66 -1.27 115.31 116.38 1n4k h LEU 598 Ca 0.18 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1n4k h LEU 598 Cb 0.17 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1n4k h LEU 598 CO -0.02 0.81 0.02 0.25 0.09 0.00 0.00 178.44 179.58 1n4k h LEU 599 N 0.55 0.16 -3.38 1.67 5.85 -0.66 0.14 115.31 119.64 1n4k h LEU 599 Ca 0.09 -0.01 -0.21 0.00 0.84 0.00 0.00 57.88 58.59 1n4k h LEU 599 Cb 0.63 -0.04 -0.12 0.00 0.37 0.00 0.00 40.66 41.49 1n4k h LEU 599 CO 0.04 0.18 0.26 1.41 -0.34 0.00 0.00 178.44 180.00 1n4k n HIS 600 N -4.44 2.13 -3.53 1.25 8.25 -0.82 -4.94 115.22 113.12 1n4k n HIS 600 Ca -0.01 -1.09 -0.18 0.00 -0.26 0.00 0.00 57.72 56.17 1n4k n HIS 600 Cb 0.14 -0.63 0.01 0.00 1.12 0.00 0.00 29.99 30.63 1n4k n HIS 600 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1n4k n ASN 601 N -0.15 -5.92 0.00 0.41 3.02 0.49 -5.04 115.26 108.08 1n4k n ASN 601 Ca 0.36 -0.69 0.00 0.00 -0.03 0.00 0.00 54.58 54.22 1n4k n ASN 601 Cb 1.25 -3.23 0.00 0.00 -0.61 0.00 0.00 39.78 37.20 1n4k n ASN 601 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23