#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jrl s TYR 263 N 0.00 2.86 0.54 -1.77 2.02 -1.26 -5.01 117.35 114.73 3jrl s TYR 263 Ca 0.00 -2.82 -0.07 0.00 -0.37 0.00 0.00 57.07 53.81 3jrl s TYR 263 Cb 0.00 -2.50 -0.03 0.00 -0.40 0.00 0.00 41.96 39.03 3jrl s TYR 263 CO 0.00 -0.81 0.88 -1.54 -1.57 0.00 0.00 175.55 172.52 3jrl s SER 264 N 0.29 6.16 -0.30 2.29 1.04 -1.26 -4.93 113.70 116.99 3jrl s SER 264 Ca 0.15 1.06 0.19 0.00 0.48 0.00 0.00 55.95 57.84 3jrl s SER 264 Cb -0.23 -2.25 0.47 0.00 0.10 0.00 0.00 66.02 64.11 3jrl s SER 264 CO -0.04 -0.74 1.04 0.54 0.98 0.00 0.00 173.24 175.02 3jrl n ARG 265 N -2.47 1.35 -0.05 4.02 1.74 -1.26 -0.95 116.66 119.03 3jrl n ARG 265 Ca 0.03 -3.22 -0.11 0.00 -0.77 0.00 0.00 57.85 53.77 3jrl n ARG 265 Cb 0.55 -1.27 -0.05 0.00 -1.02 0.00 0.00 32.46 30.67 3jrl n ARG 265 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 3jrl h LYS 266 N 2.77 0.29 -0.27 5.56 1.57 -1.95 -3.18 116.57 121.36 3jrl h LYS 266 Ca -0.13 -0.07 0.06 0.00 -1.87 0.00 0.00 60.65 58.64 3jrl h LYS 266 Cb 1.22 -0.04 -0.08 0.00 0.08 0.00 0.00 32.23 33.42 3jrl h LYS 266 CO 0.35 0.44 -0.31 0.93 -0.57 0.00 0.00 179.45 180.28 3jrl h GLU 267 N 0.09 -0.30 0.00 3.15 4.39 -1.92 0.29 114.58 120.27 3jrl h GLU 267 Ca 0.05 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.77 3jrl h GLU 267 Cb 0.29 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.00 3jrl h GLU 267 CO 0.00 -0.20 0.00 0.41 -1.16 0.00 0.00 179.01 178.06 3jrl n GLY 268 N -1.41 -0.90 0.03 -3.84 0.00 -1.23 -1.08 105.19 96.75 3jrl n GLY 268 Ca -0.01 0.18 0.11 0.00 0.00 0.00 0.00 46.02 46.31 3jrl n GLY 268 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3jrl n GLN 269 N -2.23 0.07 -1.87 1.61 6.02 0.96 -4.63 117.38 117.32 3jrl n GLN 269 Ca -0.01 -0.05 -0.39 0.00 -0.01 0.00 0.00 57.00 56.53 3jrl n GLN 269 Cb 0.06 -1.50 0.01 0.00 1.02 0.00 0.00 30.24 29.83 3jrl n GLN 269 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 3jrl s ARG 270 N -2.96 3.69 0.45 -1.09 0.52 -0.24 -4.88 118.95 114.43 3jrl s ARG 270 Ca 0.11 2.32 0.15 0.00 -0.52 0.00 0.00 55.73 57.79 3jrl s ARG 270 Cb 0.17 -2.63 1.08 0.00 0.52 0.00 0.00 34.95 34.10 3jrl s ARG 270 CO 0.73 -0.78 2.01 0.37 0.02 0.00 0.00 175.30 177.65 3jrl h GLN 271 N 2.30 0.32 0.00 3.54 -0.00 -1.92 -1.32 115.11 118.02 3jrl h GLN 271 Ca -0.51 -0.02 -0.02 0.00 -0.00 0.00 0.00 58.65 58.11 3jrl h GLN 271 Cb 1.26 -0.07 -0.00 0.00 0.00 0.00 0.00 27.48 28.67 3jrl h GLN 271 CO 0.61 0.21 -0.10 0.93 0.00 0.00 0.00 178.83 180.48 3jrl h GLU 272 N 0.33 0.00 -0.21 1.69 3.07 -1.94 -2.96 114.58 114.55 3jrl h GLU 272 Ca 0.23 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.09 3jrl h GLU 272 Cb 0.46 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.37 3jrl h GLU 272 CO -0.05 0.10 0.00 0.09 -1.40 0.00 0.00 179.01 177.74 3jrl n ASN 273 N -3.27 3.00 -0.23 1.42 3.02 -0.52 -4.63 115.26 114.06 3jrl n ASN 273 Ca -0.00 -1.90 0.03 0.00 -0.03 0.00 0.00 54.58 52.69 3jrl n ASN 273 Cb 0.33 -0.13 0.14 0.00 -0.61 0.00 0.00 39.78 39.51 3jrl n ASN 273 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 3jrl h LYS 274 N 3.91 0.24 0.00 3.52 1.79 -1.34 0.09 116.57 124.78 3jrl h LYS 274 Ca 0.00 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 3jrl h LYS 274 Cb 0.87 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.47 3jrl h LYS 274 CO 0.00 0.16 0.00 0.27 -1.08 0.00 0.00 179.45 178.80 3jrl n ASN 275 N -5.17 0.00 -1.10 0.86 0.23 -1.26 -3.42 115.26 105.40 3jrl n ASN 275 Ca 0.12 -1.22 0.12 0.00 -0.53 0.00 0.00 54.58 53.07 3jrl n ASN 275 Cb 0.39 0.00 0.21 0.00 -2.08 0.00 0.00 39.78 38.30 3jrl n ASN 275 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 3jrl n LYS 276 N -0.85 2.44 -4.97 -3.83 5.02 0.02 -4.88 118.16 111.11 3jrl n LYS 276 Ca 0.16 -2.17 -0.32 0.00 -2.02 0.00 0.00 58.31 53.95 3jrl n LYS 276 Cb 0.07 -1.50 -0.15 0.00 -0.02 0.00 0.00 35.03 33.43 3jrl n LYS 276 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3jrl s ASN 277 N -1.58 3.69 0.18 4.39 0.01 -1.22 -4.48 114.94 115.93 3jrl s ASN 277 Ca 0.37 -0.37 -0.04 0.00 -0.71 0.00 0.00 52.86 52.11 3jrl s ASN 277 Cb 0.22 -1.23 0.09 0.00 0.41 0.00 0.00 41.25 40.74 3jrl s ASN 277 CO 0.31 0.23 1.50 -0.09 -1.51 0.00 0.00 177.10 177.54 3jrl h ARG 278 N 6.23 0.63 -4.76 -0.60 2.43 -1.89 -3.41 114.38 113.00 3jrl h ARG 278 Ca -0.31 -0.38 -0.61 0.00 -0.81 0.00 0.00 59.98 57.87 3jrl h ARG 278 Cb 1.19 0.04 -0.35 0.00 -0.42 0.00 0.00 29.97 30.43 3jrl h ARG 278 CO 0.51 0.99 -0.84 0.71 -1.51 0.00 0.00 179.97 179.83 3jrl s TYR 279 N -4.08 2.24 0.65 2.20 2.02 -1.26 -5.02 117.35 114.10 3jrl s TYR 279 Ca -0.08 -1.23 0.35 0.00 -0.37 0.00 0.00 57.07 55.75 3jrl s TYR 279 Cb 0.11 -1.62 1.94 0.00 -0.40 0.00 0.00 41.96 42.00 3jrl s TYR 279 CO 0.85 -0.65 2.13 1.57 -1.57 0.00 0.00 175.55 177.87 3jrl h LYS 280 N 7.88 0.00 0.00 -0.62 2.10 -1.93 -2.14 116.57 121.86 3jrl h LYS 280 Ca -0.38 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.27 3jrl h LYS 280 Cb 1.15 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.48 3jrl h LYS 280 CO 0.54 0.00 -1.03 0.27 -2.00 0.00 0.00 179.45 177.23 3jrl n ASN 281 N -3.13 0.63 -4.35 7.07 6.94 -1.26 -4.78 115.26 116.38 3jrl n ASN 281 Ca -0.02 -0.31 -0.43 0.00 -0.02 0.00 0.00 54.58 53.81 3jrl n ASN 281 Cb 0.26 0.83 -0.09 0.00 -2.36 0.00 0.00 39.78 38.42 3jrl n ASN 281 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 3jrl s ILE 282 N -3.17 4.84 0.17 1.53 1.01 -0.81 -5.06 121.20 119.72 3jrl s ILE 282 Ca 0.04 -1.15 0.05 0.00 0.00 0.00 0.00 60.65 59.59 3jrl s ILE 282 Cb 0.15 -3.89 -0.05 0.00 0.01 0.00 0.00 42.46 38.68 3jrl s ILE 282 CO 0.81 -0.52 -0.10 -0.76 0.00 0.00 0.00 174.94 174.37 3jrl s LEU 283 N 1.56 2.50 0.22 2.97 1.43 -1.26 -4.73 118.68 121.37 3jrl s LEU 283 Ca 0.04 -1.04 -0.18 0.00 -1.03 0.00 0.00 54.13 51.92 3jrl s LEU 283 Cb -0.23 -0.43 -0.08 0.00 0.03 0.00 0.00 46.19 45.48 3jrl s LEU 283 CO 0.05 -0.31 0.69 -2.16 0.23 0.00 0.00 176.35 174.85 3jrl s PRO 284 N -3.73 4.15 0.47 1.29 0.04 -1.26 -4.73 135.00 131.23 3jrl s PRO 284 Ca 0.20 0.75 -0.23 0.00 0.04 0.00 0.00 61.00 61.76 3jrl s PRO 284 Cb 0.02 -2.82 -0.07 0.00 0.04 0.00 0.00 34.50 31.67 3jrl s PRO 284 CO 0.03 0.38 1.20 -0.06 0.04 0.00 0.00 177.00 178.59 3jrl s PHE 285 N -1.58 2.79 0.21 0.56 0.08 -1.26 -4.53 117.98 114.24 3jrl s PHE 285 Ca 0.44 1.51 -0.04 0.00 0.12 0.00 0.00 56.93 58.96 3jrl s PHE 285 Cb -0.15 -3.45 0.17 0.00 -0.57 0.00 0.00 43.02 39.02 3jrl s PHE 285 CO 0.20 -1.72 1.58 -0.44 -0.10 0.00 0.00 175.22 174.74 3jrl h ASP 286 N 1.99 0.71 0.59 1.36 3.32 -1.40 -1.50 116.42 121.48 3jrl h ASP 286 Ca -0.50 -0.30 0.00 0.00 0.02 0.00 0.00 57.03 56.25 3jrl h ASP 286 Cb 1.25 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 40.61 3jrl h ASP 286 CO 0.60 1.00 0.00 0.00 -1.72 0.00 0.00 179.24 179.12 3jrl n HIS 287 N -4.05 0.76 -0.22 4.55 1.44 -1.26 -3.42 115.22 113.01 3jrl n HIS 287 Ca -0.01 0.32 0.00 0.00 -2.01 0.00 0.00 57.72 56.01 3jrl n HIS 287 Cb 0.50 -1.01 0.00 0.00 0.12 0.00 0.00 29.99 29.60 3jrl n HIS 287 CO 0.00 0.00 0.00 0.25 -2.81 0.00 0.00 176.34 173.78 3jrl n THR 288 N -2.21 0.00 -1.57 0.61 -2.24 -1.18 -5.07 114.28 102.62 3jrl n THR 288 Ca 0.01 -0.31 -0.35 0.00 -2.27 0.00 0.00 64.05 61.13 3jrl n THR 288 Cb 0.19 1.22 0.08 0.00 -2.10 0.00 0.00 70.33 69.72 3jrl n THR 288 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3jrl s ARG 289 N -0.26 2.31 -0.26 -0.78 1.70 -0.57 -1.39 118.95 119.71 3jrl s ARG 289 Ca 0.00 1.88 -0.28 0.00 -0.47 0.00 0.00 55.73 56.86 3jrl s ARG 289 Cb 0.00 -1.84 0.01 0.00 -0.57 0.00 0.00 34.95 32.55 3jrl s ARG 289 CO 0.00 -1.73 1.00 0.08 -1.08 0.00 0.00 175.30 173.57 3jrl s VAL 290 N -1.74 4.67 -0.29 4.99 1.01 -0.36 -4.78 120.40 123.90 3jrl s VAL 290 Ca 0.78 1.85 -0.16 0.00 0.00 0.00 0.00 61.98 64.45 3jrl s VAL 290 Cb -0.32 -4.30 -0.03 0.00 0.00 0.00 0.00 36.38 31.73 3jrl s VAL 290 CO 0.43 -0.23 0.40 -0.69 0.00 0.00 0.00 175.10 175.00 3jrl s VAL 291 N 3.23 5.15 -0.08 2.92 1.01 -1.26 -4.35 120.40 127.02 3jrl s VAL 291 Ca 0.42 0.51 -0.21 0.00 0.00 0.00 0.00 61.98 62.70 3jrl s VAL 291 Cb -0.14 -3.76 -0.04 0.00 0.00 0.00 0.00 36.38 32.44 3jrl s VAL 291 CO 0.09 0.08 0.59 -0.76 0.00 0.00 0.00 175.10 175.10 3jrl s LEU 292 N 2.12 4.31 0.37 3.92 1.43 -0.71 -5.04 118.68 125.08 3jrl s LEU 292 Ca 0.16 1.02 0.08 0.00 -1.03 0.00 0.00 54.13 54.35 3jrl s LEU 292 Cb -0.16 -2.90 -0.03 0.00 0.03 0.00 0.00 46.19 43.14 3jrl s LEU 292 CO 0.10 -0.05 0.30 -1.00 0.23 0.00 0.00 176.35 175.94 3jrl s HIS 293 N 0.64 2.80 -0.75 0.29 3.76 -1.26 -3.98 115.29 116.78 3jrl s HIS 293 Ca 0.32 -0.39 -0.01 0.00 -0.15 0.00 0.00 55.06 54.83 3jrl s HIS 293 Cb -0.17 -1.92 0.00 0.00 1.11 0.00 0.00 32.58 31.61 3jrl s HIS 293 CO 0.15 0.09 0.66 -0.25 -0.85 0.00 0.00 174.74 174.54 3jrl n ASP 294 N -1.40 -6.80 -1.98 1.40 8.00 -1.26 -5.04 116.55 109.47 3jrl n ASP 294 Ca 0.00 -0.35 0.00 0.00 0.71 0.00 0.00 54.79 55.15 3jrl n ASP 294 Cb 0.61 -4.06 0.00 0.00 -0.02 0.00 0.00 41.12 37.64 3jrl n ASP 294 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3jrl n GLY 295 N -1.66 4.11 3.66 0.44 0.00 -1.26 -5.07 105.19 105.40 3jrl n GLY 295 Ca -0.10 -2.20 -0.42 0.00 0.00 0.00 0.00 46.02 43.29 3jrl n GLY 295 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3jrl s ASP 296 N -0.98 6.73 0.07 1.61 -1.08 -1.26 -4.88 116.67 116.88 3jrl s ASP 296 Ca 0.00 2.08 0.14 0.00 -0.52 0.00 0.00 52.55 54.26 3jrl s ASP 296 Cb 0.00 -2.53 0.62 0.00 -1.46 0.00 0.00 42.92 39.55 3jrl s ASP 296 CO 0.00 -0.89 1.45 -0.81 0.52 0.00 0.00 175.17 175.44 3jrl n PRO 297 N 7.01 0.04 0.07 4.34 -0.04 -1.26 -2.14 135.00 143.02 3jrl n PRO 297 Ca 0.16 0.34 0.13 0.00 -0.04 0.00 0.00 63.50 64.09 3jrl n PRO 297 Cb 0.43 -1.59 0.39 0.00 -0.04 0.00 0.00 33.50 32.69 3jrl n PRO 297 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3jrl n ASN 298 N -1.68 0.60 -4.76 3.54 3.02 -1.26 -4.82 115.26 109.90 3jrl n ASN 298 Ca 0.02 0.40 -0.39 0.00 -0.03 0.00 0.00 54.58 54.58 3jrl n ASN 298 Cb 0.15 -0.46 -0.05 0.00 -0.61 0.00 0.00 39.78 38.81 3jrl n ASN 298 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3jrl s GLU 299 N -3.09 4.45 0.20 3.52 0.41 -0.91 -4.97 118.70 118.31 3jrl s GLU 299 Ca 0.10 0.99 -0.16 0.00 -0.41 0.00 0.00 54.97 55.49 3jrl s GLU 299 Cb 0.14 -3.34 0.19 0.00 -1.78 0.00 0.00 34.13 29.35 3jrl s GLU 299 CO 0.62 0.37 1.62 -1.35 -0.49 0.00 0.00 175.26 176.02 3jrl h PRO 300 N 5.39 -0.06 -4.29 0.39 0.11 -1.88 -3.40 132.00 128.26 3jrl h PRO 300 Ca -0.45 0.00 -0.39 0.00 0.11 0.00 0.00 66.00 65.27 3jrl h PRO 300 Cb 1.20 0.01 -0.31 0.00 0.11 0.00 0.00 31.00 32.01 3jrl h PRO 300 CO 0.69 -0.04 -0.77 0.08 -0.21 0.00 0.00 178.00 177.75 3jrl s VAL 301 N -6.16 0.58 0.00 3.15 1.01 -1.26 -5.03 120.40 112.68 3jrl s VAL 301 Ca -0.14 -0.22 0.00 0.00 0.00 0.00 0.00 61.98 61.61 3jrl s VAL 301 Cb 0.18 -0.55 0.00 0.00 0.00 0.00 0.00 36.38 36.01 3jrl s VAL 301 CO 0.72 0.20 0.49 -1.54 0.00 0.00 0.00 175.10 174.97 3jrl n SER 302 N 3.50 0.45 -1.46 3.32 3.41 -1.26 -4.79 113.62 116.79 3jrl n SER 302 Ca -0.20 -1.19 0.10 0.00 -0.26 0.00 0.00 58.87 57.33 3jrl n SER 302 Cb 0.54 0.00 0.34 0.00 -0.26 0.00 0.00 64.21 64.83 3jrl n SER 302 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3jrl n ASP 303 N -0.09 4.30 -4.42 4.04 5.75 -1.26 -4.70 116.55 120.17 3jrl n ASP 303 Ca 0.00 -2.22 -0.32 0.00 -0.01 0.00 0.00 54.79 52.24 3jrl n ASP 303 Cb 0.37 -0.53 -0.14 0.00 -1.03 0.00 0.00 41.12 39.78 3jrl n ASP 303 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 3jrl s TYR 304 N -1.44 2.64 -0.20 2.11 5.04 -1.26 -1.73 117.35 122.51 3jrl s TYR 304 Ca 0.50 -0.31 -0.16 0.00 -2.44 0.00 0.00 57.07 54.66 3jrl s TYR 304 Cb 0.29 -1.63 0.06 0.00 0.35 0.00 0.00 41.96 41.02 3jrl s TYR 304 CO 0.29 0.07 0.51 -1.50 -1.34 0.00 0.00 175.55 173.58 3jrl s ILE 305 N -0.53 -0.01 -1.17 3.14 2.07 -1.26 -4.97 121.20 118.47 3jrl s ILE 305 Ca 0.07 0.02 -0.22 0.00 -1.41 0.00 0.00 60.65 59.11 3jrl s ILE 305 Cb -0.11 -0.73 -0.05 0.00 0.13 0.00 0.00 42.46 41.70 3jrl s ILE 305 CO 0.01 0.01 1.88 0.21 -1.91 0.00 0.00 174.94 175.14 3jrl s ASN 306 N 0.67 5.44 -0.08 4.50 3.84 -1.26 -4.58 114.94 123.46 3jrl s ASN 306 Ca -0.03 -1.70 -0.26 0.00 0.21 0.00 0.00 52.86 51.08 3jrl s ASN 306 Cb -0.05 -2.58 0.06 0.00 -0.55 0.00 0.00 41.25 38.13 3jrl s ASN 306 CO -0.04 -2.63 0.60 0.00 -2.79 0.00 0.00 177.10 172.24 3jrl s ALA 307 N 9.42 -1.54 0.05 1.71 0.00 -1.26 -3.24 121.76 126.90 3jrl s ALA 307 Ca 0.65 1.23 0.04 0.00 0.00 0.00 0.00 51.96 53.88 3jrl s ALA 307 Cb -0.00 -0.21 -0.02 0.00 0.00 0.00 0.00 23.12 22.88 3jrl s ALA 307 CO 0.10 -0.33 -0.12 -0.80 0.00 0.00 0.00 175.76 174.60 3jrl s ASN 308 N -0.88 1.42 0.16 0.00 -0.87 -0.75 -1.23 114.94 112.80 3jrl s ASN 308 Ca -0.09 -0.52 -0.29 0.00 -1.57 0.00 0.00 52.86 50.38 3jrl s ASN 308 Cb -0.02 -0.05 -0.07 0.00 -0.02 0.00 0.00 41.25 41.09 3jrl s ASN 308 CO 0.07 -0.06 0.93 -0.63 -2.57 0.00 0.00 177.10 174.84 3jrl s ILE 309 N -1.10 4.33 -0.14 0.60 -1.09 -0.49 -1.38 121.20 121.93 3jrl s ILE 309 Ca -0.02 2.04 0.01 0.00 -2.23 0.00 0.00 60.65 60.45 3jrl s ILE 309 Cb -0.09 -4.31 0.02 0.00 -1.58 0.00 0.00 42.46 36.50 3jrl s ILE 309 CO 0.01 0.41 -0.18 -0.63 -1.23 0.00 0.00 174.94 173.32 3jrl s ILE 310 N -0.55 1.79 -0.09 2.92 -1.09 0.88 -4.90 121.20 120.16 3jrl s ILE 310 Ca 0.43 -0.79 0.03 0.00 -2.23 0.00 0.00 60.65 58.10 3jrl s ILE 310 Cb -0.24 -1.63 0.00 0.00 -1.58 0.00 0.00 42.46 39.01 3jrl s ILE 310 CO 0.30 0.50 -0.21 -0.04 -1.23 0.00 0.00 174.94 174.26 3jrl s MET 311 N 1.16 2.71 0.00 2.79 -1.94 -1.26 -0.69 119.30 122.07 3jrl s MET 311 Ca -0.01 -0.76 0.00 0.00 -1.71 0.00 0.00 55.69 53.21 3jrl s MET 311 Cb -0.14 -2.09 0.00 0.00 2.01 0.00 0.00 34.83 34.61 3jrl s MET 311 CO -0.07 0.13 0.95 -2.30 -0.01 0.00 0.00 175.02 173.72 3jrl n PRO 312 N 3.63 0.00 0.00 2.03 -0.02 -1.26 -4.97 135.00 134.41 3jrl n PRO 312 Ca -0.20 0.67 0.03 0.00 -2.02 0.00 0.00 63.50 61.99 3jrl n PRO 312 Cb 0.53 -1.45 0.19 0.00 -0.02 0.00 0.00 33.50 32.74 3jrl n PRO 312 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3jrl n LYS 324 N -2.27 0.44 -3.65 -0.52 4.76 -1.26 -5.15 118.16 110.52 3jrl n LYS 324 Ca 0.00 0.00 -0.38 0.00 -2.87 0.00 0.00 58.31 55.06 3jrl n LYS 324 Cb 0.00 -1.22 -0.12 0.00 -1.84 0.00 0.00 35.03 31.85 3jrl n LYS 324 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 3jrl s LYS 325 N -2.00 3.66 0.42 1.97 2.20 -1.26 -5.05 119.74 119.68 3jrl s LYS 325 Ca 0.09 -0.50 0.05 0.00 -0.36 0.00 0.00 55.97 55.25 3jrl s LYS 325 Cb 0.04 -3.55 -0.06 0.00 -1.51 0.00 0.00 37.83 32.75 3jrl s LYS 325 CO 0.07 -0.27 0.03 -1.54 -0.36 0.00 0.00 175.35 173.28 3jrl s SER 326 N 1.68 3.56 0.22 1.43 1.04 -1.26 -4.88 113.70 115.48 3jrl s SER 326 Ca 0.06 -1.46 0.01 0.00 0.48 0.00 0.00 55.95 55.04 3jrl s SER 326 Cb -0.16 -0.06 -0.05 0.00 0.10 0.00 0.00 66.02 65.85 3jrl s SER 326 CO 0.08 -0.61 0.07 -0.31 0.98 0.00 0.00 173.24 173.44 3jrl s TYR 327 N -2.90 1.36 -0.18 5.02 2.02 0.13 -2.03 117.35 120.77 3jrl s TYR 327 Ca 0.28 -1.15 0.00 0.00 -0.37 0.00 0.00 57.07 55.82 3jrl s TYR 327 Cb 0.07 -0.77 0.04 0.00 -0.40 0.00 0.00 41.96 40.90 3jrl s TYR 327 CO 0.14 -0.34 -0.08 0.42 -1.57 0.00 0.00 175.55 174.12 3jrl s ILE 328 N -3.78 1.39 -0.28 2.71 1.01 -0.44 -0.08 121.20 121.73 3jrl s ILE 328 Ca 0.33 -0.81 -0.14 0.00 0.00 0.00 0.00 60.65 60.03 3jrl s ILE 328 Cb 0.07 -1.51 -0.04 0.00 0.01 0.00 0.00 42.46 41.00 3jrl s ILE 328 CO 0.10 0.16 0.31 0.00 0.00 0.00 0.00 174.94 175.51 3jrl s ALA 329 N 1.51 3.55 0.21 9.38 0.00 -0.48 -0.65 121.76 135.29 3jrl s ALA 329 Ca -0.00 -0.95 -0.03 0.00 0.00 0.00 0.00 51.96 50.98 3jrl s ALA 329 Cb -0.16 -2.64 -0.03 0.00 0.00 0.00 0.00 23.12 20.30 3jrl s ALA 329 CO -0.08 -0.65 0.20 -0.08 0.00 0.00 0.00 175.76 175.15 3jrl s THR 330 N 1.95 0.00 0.56 0.00 -1.32 -0.77 -1.81 115.64 114.25 3jrl s THR 330 Ca 0.12 -1.88 -0.05 0.00 -1.21 0.00 0.00 61.69 58.66 3jrl s THR 330 Cb -0.16 -2.44 -0.00 0.00 -1.51 0.00 0.00 72.50 68.38 3jrl s THR 330 CO 0.10 0.00 0.86 0.00 -2.21 0.00 0.00 174.62 173.38 3jrl s GLN 331 N -4.12 3.08 0.59 7.08 -2.07 -1.20 -3.28 119.66 119.75 3jrl s GLN 331 Ca 0.36 0.03 -0.18 0.00 -1.82 0.00 0.00 55.36 53.74 3jrl s GLN 331 Cb 0.05 -2.31 -0.04 0.00 -1.09 0.00 0.00 33.01 29.63 3jrl s GLN 331 CO 0.12 -0.56 1.15 0.20 -1.32 0.00 0.00 175.29 174.88 3jrl s GLY 332 N -4.25 2.57 0.66 2.60 0.00 0.73 -4.74 107.32 104.89 3jrl s GLY 332 Ca 0.52 0.83 -0.18 0.00 0.00 0.00 0.00 44.72 45.90 3jrl s GLY 332 CO 0.45 1.20 1.29 0.00 0.00 0.00 0.00 173.10 176.04 3jrl s LEU 334 N -4.48 3.67 0.47 0.00 1.43 -1.26 -1.26 118.68 117.24 3jrl s LEU 334 Ca 0.82 -0.35 0.21 0.00 -1.03 0.00 0.00 54.13 53.78 3jrl s LEU 334 Cb -0.37 -2.20 1.21 0.00 0.03 0.00 0.00 46.19 44.87 3jrl s LEU 334 CO 0.41 -0.05 1.92 1.56 0.23 0.00 0.00 176.35 180.42 3jrl h GLN 335 N 1.56 0.24 -0.27 1.70 1.08 -1.96 -1.06 115.11 116.39 3jrl h GLN 335 Ca -0.47 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 56.71 3jrl h GLN 335 Cb 1.24 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 28.62 3jrl h GLN 335 CO 0.61 0.16 0.00 0.27 -0.95 0.00 0.00 178.83 178.91 3jrl n ASN 336 N -4.43 2.42 0.00 1.46 6.94 -1.26 -4.20 115.26 116.19 3jrl n ASN 336 Ca 0.15 -1.85 0.00 0.00 -0.02 0.00 0.00 54.58 52.86 3jrl n ASN 336 Cb 0.66 -0.18 0.00 0.00 -2.36 0.00 0.00 39.78 37.90 3jrl n ASN 336 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 3jrl n THR 337 N 0.82 0.79 -0.00 5.53 -2.24 -0.41 -4.76 114.28 114.01 3jrl n THR 337 Ca 0.17 -0.83 -0.11 0.00 -2.27 0.00 0.00 64.05 61.01 3jrl n THR 337 Cb 0.44 0.61 -0.05 0.00 -2.10 0.00 0.00 70.33 69.23 3jrl n THR 337 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 3jrl h VAL 338 N 0.38 1.00 -0.68 2.28 2.07 -1.71 0.03 116.25 119.62 3jrl h VAL 338 Ca 0.00 -0.04 0.06 0.00 0.82 0.00 0.00 66.70 67.54 3jrl h VAL 338 Cb 0.52 0.88 -0.06 0.00 -1.52 0.00 0.00 31.29 31.11 3jrl h VAL 338 CO 0.00 0.02 0.37 0.78 0.02 0.00 0.00 177.57 178.76 3jrl h ASN 339 N 0.12 0.54 -0.81 0.57 4.21 -1.88 -1.39 115.58 116.94 3jrl h ASN 339 Ca 0.04 0.03 -0.02 0.00 1.21 0.00 0.00 56.30 57.56 3jrl h ASN 339 Cb 0.00 -0.07 -0.04 0.00 -1.12 0.00 0.00 38.32 37.09 3jrl h ASN 339 CO -0.03 0.35 0.43 0.44 -1.29 0.00 0.00 177.43 177.33 3jrl h ASP 340 N 0.68 1.04 0.01 5.81 3.32 -1.74 -1.86 116.42 123.67 3jrl h ASP 340 Ca 0.31 -0.10 0.01 0.00 0.02 0.00 0.00 57.03 57.27 3jrl h ASP 340 Cb 0.21 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.48 3jrl h ASP 340 CO -0.20 0.85 -0.09 0.15 -1.72 0.00 0.00 179.24 178.23 3jrl h PHE 341 N 1.15 -0.23 0.00 4.55 3.57 0.06 -1.39 116.94 124.65 3jrl h PHE 341 Ca 0.29 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.74 3jrl h PHE 341 Cb 0.06 0.10 -0.01 0.00 2.79 0.00 0.00 35.95 38.89 3jrl h PHE 341 CO 0.01 -0.14 -0.27 -1.49 -2.23 0.00 0.00 178.31 174.19 3jrl h TRP 342 N -0.16 0.00 -0.39 0.41 4.06 -1.11 -1.28 115.95 117.48 3jrl h TRP 342 Ca 0.03 0.00 -0.13 0.00 2.06 0.00 0.00 58.89 60.85 3jrl h TRP 342 Cb 0.20 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.35 3jrl h TRP 342 CO -0.15 0.27 -0.28 0.00 -3.56 0.00 0.00 178.44 174.72 3jrl h ARG 343 N 0.00 0.83 0.06 0.49 3.08 -0.94 -1.23 114.38 116.66 3jrl h ARG 343 Ca -0.00 -0.37 -0.00 0.00 0.07 0.00 0.00 59.98 59.67 3jrl h ARG 343 Cb 0.52 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.55 3jrl h ARG 343 CO 0.04 1.01 -0.03 1.98 -1.07 0.00 0.00 179.97 181.89 3jrl h MET 344 N 0.71 -0.08 -0.75 0.04 4.05 -0.67 0.70 114.93 118.93 3jrl h MET 344 Ca 0.08 0.01 0.10 0.00 -0.28 0.00 0.00 59.70 59.60 3jrl h MET 344 Cb 0.82 0.02 -0.07 0.00 -0.80 0.00 0.00 31.60 31.57 3jrl h MET 344 CO 0.07 0.19 0.39 0.28 0.23 0.00 0.00 176.91 178.07 3jrl h VAL 345 N -0.34 0.86 0.23 -5.77 2.07 -1.20 0.49 116.25 112.59 3jrl h VAL 345 Ca -0.01 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 67.28 3jrl h VAL 345 Cb 0.30 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.22 3jrl h VAL 345 CO 0.01 0.12 -0.11 0.15 0.02 0.00 0.00 177.57 177.76 3jrl h PHE 346 N 0.66 -0.29 -0.93 1.57 3.57 -1.10 -2.03 116.94 118.39 3jrl h PHE 346 Ca 0.37 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.92 3jrl h PHE 346 Cb 0.38 0.10 -0.06 0.00 2.79 0.00 0.00 35.95 39.15 3jrl h PHE 346 CO -0.09 0.05 0.59 0.37 -2.23 0.00 0.00 178.31 177.00 3jrl h GLN 347 N -0.67 1.05 -0.00 1.11 4.15 -0.56 -1.78 115.11 118.40 3jrl h GLN 347 Ca -0.03 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.32 3jrl h GLN 347 Cb 0.47 -0.24 0.00 0.00 0.21 0.00 0.00 27.48 27.92 3jrl h GLN 347 CO 0.05 0.70 -0.05 0.39 -1.93 0.00 0.00 178.83 177.99 3jrl n GLU 348 N -4.55 0.88 -2.63 1.69 -0.58 0.14 -4.92 120.64 110.66 3jrl n GLU 348 Ca 0.13 -0.24 -0.21 0.00 -0.42 0.00 0.00 57.16 56.42 3jrl n GLU 348 Cb 0.16 -1.49 0.01 0.00 -0.57 0.00 0.00 31.44 29.55 3jrl n GLU 348 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 3jrl n ASN 349 N -0.85 -5.97 -4.76 1.62 5.15 -0.67 -4.19 115.26 105.59 3jrl n ASN 349 Ca 0.18 -0.12 -0.40 0.00 -0.60 0.00 0.00 54.58 53.64 3jrl n ASN 349 Cb 0.24 -4.90 -0.03 0.00 -0.53 0.00 0.00 39.78 34.55 3jrl n ASN 349 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 3jrl s SER 350 N -2.31 7.00 0.00 1.20 0.01 -0.81 0.06 113.70 118.85 3jrl s SER 350 Ca 0.12 2.35 0.00 0.00 1.31 0.00 0.00 55.95 59.73 3jrl s SER 350 Cb -0.05 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.55 3jrl s SER 350 CO 0.14 -0.34 0.13 0.54 0.41 0.00 0.00 173.24 174.13 3jrl n ARG 351 N 0.83 4.35 -4.27 12.44 5.12 -1.26 -4.84 116.66 129.02 3jrl n ARG 351 Ca 0.00 -0.13 -0.21 0.00 -1.93 0.00 0.00 57.85 55.58 3jrl n ARG 351 Cb 0.45 -0.61 -0.16 0.00 -1.16 0.00 0.00 32.46 30.98 3jrl n ARG 351 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 3jrl s VAL 352 N -0.66 0.69 -0.09 1.55 1.01 -1.26 0.29 120.40 121.92 3jrl s VAL 352 Ca 0.00 -0.21 0.04 0.00 0.00 0.00 0.00 61.98 61.80 3jrl s VAL 352 Cb 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 36.38 35.70 3jrl s VAL 352 CO 0.00 0.26 -0.22 -0.63 0.00 0.00 0.00 175.10 174.51 3jrl s ILE 353 N 0.84 1.88 -0.33 2.22 1.01 0.10 -1.54 121.20 125.38 3jrl s ILE 353 Ca -0.12 -0.92 -0.06 0.00 0.00 0.00 0.00 60.65 59.55 3jrl s ILE 353 Cb -0.15 -1.63 0.03 0.00 0.01 0.00 0.00 42.46 40.73 3jrl s ILE 353 CO 0.01 0.52 0.10 -0.69 0.00 0.00 0.00 174.94 174.88 3jrl s VAL 354 N 0.36 3.82 -0.31 2.92 1.01 0.30 -0.16 120.40 128.35 3jrl s VAL 354 Ca -0.17 -1.02 -0.11 0.00 0.00 0.00 0.00 61.98 60.69 3jrl s VAL 354 Cb -0.17 -3.11 -0.02 0.00 0.00 0.00 0.00 36.38 33.08 3jrl s VAL 354 CO 0.08 -0.11 0.18 -0.32 0.00 0.00 0.00 175.10 174.93 3jrl s MET 355 N 1.43 3.55 0.00 2.72 0.00 -0.18 -1.41 119.30 125.41 3jrl s MET 355 Ca -0.01 -0.58 0.25 0.00 0.00 0.00 0.00 55.69 55.35 3jrl s MET 355 Cb -0.19 -3.64 0.44 0.00 0.00 0.00 0.00 34.83 31.44 3jrl s MET 355 CO 0.03 -0.35 1.40 0.25 0.00 0.00 0.00 175.02 176.35 3jrl n THR 356 N 5.03 0.09 -4.26 10.11 -2.24 -0.92 -0.61 114.28 121.47 3jrl n THR 356 Ca -0.14 -0.48 -0.14 0.00 -2.27 0.00 0.00 64.05 61.03 3jrl n THR 356 Cb 0.50 1.15 -0.10 0.00 -2.10 0.00 0.00 70.33 69.78 3jrl n THR 356 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3jrl s THR 357 N -1.91 0.73 0.85 4.28 -4.23 -1.25 -4.81 115.64 109.29 3jrl s THR 357 Ca 0.32 -1.99 -0.13 0.00 -1.18 0.00 0.00 61.69 58.71 3jrl s THR 357 Cb 0.20 -2.17 0.11 0.00 1.34 0.00 0.00 72.50 71.98 3jrl s THR 357 CO 0.31 -0.43 1.20 -0.54 -0.54 0.00 0.00 174.62 174.61 3jrl s LYS 358 N -3.91 1.64 0.19 3.99 1.02 -1.26 -4.84 119.74 116.56 3jrl s LYS 358 Ca 0.25 0.04 -0.09 0.00 0.02 0.00 0.00 55.97 56.19 3jrl s LYS 358 Cb 0.06 -1.92 0.10 0.00 -0.52 0.00 0.00 37.83 35.55 3jrl s LYS 358 CO 0.05 -1.81 1.71 0.93 -0.92 0.00 0.00 175.35 175.31 3jrl h GLU 359 N -1.21 1.07 -4.43 1.68 5.08 -1.96 -3.42 114.58 111.40 3jrl h GLU 359 Ca -0.46 -0.25 -0.51 0.00 -1.00 0.00 0.00 59.36 57.14 3jrl h GLU 359 Cb 1.31 -0.14 -0.34 0.00 0.50 0.00 0.00 28.75 30.08 3jrl h GLU 359 CO 0.61 0.94 -0.81 0.08 -1.00 0.00 0.00 179.01 178.83 3jrl s VAL 360 N -5.34 1.06 -0.09 3.13 1.01 -1.26 0.02 120.40 118.93 3jrl s VAL 360 Ca -0.12 -0.40 0.01 0.00 0.00 0.00 0.00 61.98 61.47 3jrl s VAL 360 Cb 0.14 -1.00 0.02 0.00 0.00 0.00 0.00 36.38 35.53 3jrl s VAL 360 CO 0.83 0.35 -0.12 -1.61 0.00 0.00 0.00 175.10 174.55 3jrl s GLU 361 N 0.94 1.83 -1.44 2.72 2.02 -0.27 -4.77 118.70 119.72 3jrl s GLU 361 Ca -0.10 -0.42 -0.10 0.00 0.02 0.00 0.00 54.97 54.38 3jrl s GLU 361 Cb -0.15 -1.63 0.05 0.00 0.10 0.00 0.00 34.13 32.50 3jrl s GLU 361 CO 0.00 -0.09 1.00 0.54 0.02 0.00 0.00 175.26 176.73 3jrl n ARG 362 N 4.27 -6.12 -1.02 1.61 1.74 -1.26 -1.52 116.66 114.37 3jrl n ARG 362 Ca -0.19 0.67 -0.01 0.00 -0.77 0.00 0.00 57.85 57.56 3jrl n ARG 362 Cb 0.51 -5.56 -0.00 0.00 -1.02 0.00 0.00 32.46 26.38 3jrl n ARG 362 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3jrl n GLY 363 N -1.73 0.36 3.22 -0.13 0.00 -1.26 -5.00 105.19 100.65 3jrl n GLY 363 Ca -0.04 -0.05 -0.32 0.00 0.00 0.00 0.00 46.02 45.61 3jrl n GLY 363 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3jrl s LYS 364 N -0.89 3.08 0.06 1.61 -0.14 -0.57 -5.10 119.74 117.78 3jrl s LYS 364 Ca 0.00 -0.85 -0.31 0.00 -1.36 0.00 0.00 55.97 53.46 3jrl s LYS 364 Cb 0.00 -2.40 -0.07 0.00 -1.68 0.00 0.00 37.83 33.68 3jrl s LYS 364 CO 0.00 0.10 1.45 0.45 -0.76 0.00 0.00 175.35 176.58 3jrl s SER 365 N 0.56 6.79 0.00 2.83 0.15 -1.26 -1.12 113.70 121.65 3jrl s SER 365 Ca -0.13 2.26 0.03 0.00 0.70 0.00 0.00 55.95 58.82 3jrl s SER 365 Cb -0.17 -2.57 -0.03 0.00 -1.71 0.00 0.00 66.02 61.55 3jrl s SER 365 CO 0.04 -0.73 0.21 0.29 1.20 0.00 0.00 173.24 174.25 3jrl n LYS 366 N 4.89 5.02 -3.51 5.44 5.02 0.10 -4.95 118.16 130.18 3jrl n LYS 366 Ca 0.13 -0.10 0.02 0.00 -2.02 0.00 0.00 58.31 56.34 3jrl n LYS 366 Cb 0.42 -0.72 -0.05 0.00 -0.02 0.00 0.00 35.03 34.67 3jrl n LYS 366 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3jrl s VAL 368 N 1.46 3.94 -0.09 0.00 1.01 -0.39 -4.57 120.40 121.76 3jrl s VAL 368 Ca -0.06 1.45 -0.29 0.00 0.00 0.00 0.00 61.98 63.08 3jrl s VAL 368 Cb -0.02 -3.73 -0.06 0.00 0.00 0.00 0.00 36.38 32.57 3jrl s VAL 368 CO -0.13 -0.02 1.84 -0.75 0.00 0.00 0.00 175.10 176.04 3jrl s LYS 369 N -2.53 3.89 -0.01 2.72 2.20 -1.26 -4.60 119.74 120.14 3jrl s LYS 369 Ca 0.57 2.17 0.12 0.00 -0.36 0.00 0.00 55.97 58.46 3jrl s LYS 369 Cb -0.19 -4.12 0.35 0.00 -1.51 0.00 0.00 37.83 32.36 3jrl s LYS 369 CO 0.24 -1.21 1.29 2.48 -0.36 0.00 0.00 175.35 177.79 3jrl n TYR 370 N 8.37 0.54 -4.35 4.03 0.18 -1.26 -4.99 117.16 119.68 3jrl n TYR 370 Ca 0.21 -0.53 -0.23 0.00 1.88 0.00 0.00 57.90 59.23 3jrl n TYR 370 Cb 0.43 -0.05 -0.11 0.00 -0.38 0.00 0.00 39.34 39.23 3jrl n TYR 370 CO 0.00 0.00 0.00 1.67 -2.08 0.00 0.00 176.86 176.45 3jrl s TRP 371 N -1.14 1.94 0.74 -3.48 -2.14 -1.26 -5.07 118.94 108.53 3jrl s TRP 371 Ca 0.26 -0.44 -0.11 0.00 2.66 0.00 0.00 56.10 58.47 3jrl s TRP 371 Cb 0.15 -0.97 0.04 0.00 -3.10 0.00 0.00 33.47 29.58 3jrl s TRP 371 CO 0.16 0.36 1.10 -1.25 -2.66 0.00 0.00 176.95 174.66 3jrl s PRO 372 N -2.67 2.56 0.85 3.25 0.04 -1.26 -5.02 135.00 132.74 3jrl s PRO 372 Ca 0.16 0.51 -0.11 0.00 0.04 0.00 0.00 61.00 61.60 3jrl s PRO 372 Cb -0.07 -1.98 0.11 0.00 0.04 0.00 0.00 34.50 32.60 3jrl s PRO 372 CO 0.07 -1.26 1.14 -0.51 0.04 0.00 0.00 177.00 176.48 3jrl s ASP 373 N -4.21 3.55 0.26 6.66 1.01 -1.26 -4.76 116.67 117.92 3jrl s ASP 373 Ca 0.59 2.11 -0.30 0.00 0.71 0.00 0.00 52.55 55.66 3jrl s ASP 373 Cb -0.12 -2.56 -0.13 0.00 1.01 0.00 0.00 42.92 41.12 3jrl s ASP 373 CO 0.53 -2.69 1.30 1.21 0.21 0.00 0.00 175.17 175.73 3jrl n GLU 374 N -3.81 1.86 -0.26 8.23 2.13 -1.26 -0.95 120.64 126.58 3jrl n GLU 374 Ca 0.11 0.66 0.00 0.00 0.66 0.00 0.00 57.16 58.59 3jrl n GLU 374 Cb 0.52 -2.24 0.00 0.00 0.27 0.00 0.00 31.44 29.99 3jrl n GLU 374 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 3jrl n TYR 375 N 1.25 0.00 -2.75 4.31 4.01 -0.53 -4.98 117.16 118.48 3jrl n TYR 375 Ca 0.10 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.63 3jrl n TYR 375 Cb 0.32 -0.52 0.07 0.00 -0.31 0.00 0.00 39.34 38.89 3jrl n TYR 375 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3jrl s ALA 376 N -2.29 4.08 -0.01 -0.72 0.00 -0.12 -4.83 121.76 117.88 3jrl s ALA 376 Ca 0.00 -1.72 -0.06 0.00 0.00 0.00 0.00 51.96 50.18 3jrl s ALA 376 Cb 0.00 -1.85 0.00 0.00 0.00 0.00 0.00 23.12 21.27 3jrl s ALA 376 CO 0.00 -1.01 0.13 -0.48 0.00 0.00 0.00 175.76 174.40 3jrl s LEU 377 N -4.85 1.57 0.01 0.00 0.05 -1.26 -1.39 118.68 112.82 3jrl s LEU 377 Ca 0.62 -0.13 -0.01 0.00 0.05 0.00 0.00 54.13 54.65 3jrl s LEU 377 Cb -0.07 0.61 -0.01 0.00 -2.05 0.00 0.00 46.19 44.66 3jrl s LEU 377 CO 0.40 -0.31 0.00 -0.75 -0.55 0.00 0.00 176.35 175.15 3jrl s LYS 378 N -1.11 0.32 -0.25 1.48 2.20 -0.28 -5.00 119.74 117.10 3jrl s LYS 378 Ca -0.12 -0.53 -0.09 0.00 -0.36 0.00 0.00 55.97 54.87 3jrl s LYS 378 Cb -0.07 0.12 -0.04 0.00 -1.51 0.00 0.00 37.83 36.33 3jrl s LYS 378 CO 0.01 -0.06 0.12 -1.21 -0.36 0.00 0.00 175.35 173.86 3jrl s GLU 379 N -1.34 3.86 -0.57 4.03 2.02 -1.26 -1.20 118.70 124.23 3jrl s GLU 379 Ca -0.15 -0.37 -0.07 0.00 0.02 0.00 0.00 54.97 54.40 3jrl s GLU 379 Cb -0.09 -3.45 0.15 0.00 0.10 0.00 0.00 34.13 30.83 3jrl s GLU 379 CO -0.00 -0.08 0.43 0.71 0.02 0.00 0.00 175.26 176.34 3jrl s TYR 380 N 1.40 3.49 0.00 1.61 2.02 0.11 -4.94 117.35 121.04 3jrl s TYR 380 Ca 0.06 -2.21 0.00 0.00 -0.37 0.00 0.00 57.07 54.55 3jrl s TYR 380 Cb -0.15 -3.43 0.00 0.00 -0.40 0.00 0.00 41.96 37.98 3jrl s TYR 380 CO 0.06 -0.95 0.00 0.41 -1.57 0.00 0.00 175.55 173.50 3jrl n GLY 381 N 4.29 3.49 1.11 0.71 0.00 -1.26 -0.89 105.19 112.64 3jrl n GLY 381 Ca 0.01 -0.10 0.11 0.00 0.00 0.00 0.00 46.02 46.04 3jrl n GLY 381 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3jrl n VAL 382 N 0.00 0.60 -3.55 1.61 0.24 -1.26 -4.89 118.33 111.07 3jrl n VAL 382 Ca 0.00 -0.80 -0.40 0.00 -2.04 0.00 0.00 64.34 61.10 3jrl n VAL 382 Cb 0.00 0.89 -0.11 0.00 -1.47 0.00 0.00 33.84 33.15 3jrl n VAL 382 CO 0.00 0.00 0.00 -0.04 -2.14 0.00 0.00 176.83 174.65 3jrl s MET 383 N -1.34 3.39 -0.10 7.34 1.00 -0.07 -0.42 119.30 129.10 3jrl s MET 383 Ca 0.38 -0.71 -0.18 0.00 0.00 0.00 0.00 55.69 55.18 3jrl s MET 383 Cb 0.22 -3.78 -0.04 0.00 0.00 0.00 0.00 34.83 31.22 3jrl s MET 383 CO 0.30 -0.48 0.46 0.50 0.00 0.00 0.00 175.02 175.80 3jrl s ARG 384 N 1.69 4.29 -0.06 2.03 3.52 0.25 0.08 118.95 130.75 3jrl s ARG 384 Ca 0.06 0.44 0.03 0.00 -0.13 0.00 0.00 55.73 56.12 3jrl s ARG 384 Cb -0.18 -3.41 0.01 0.00 -1.56 0.00 0.00 34.95 29.81 3jrl s ARG 384 CO 0.10 0.23 -0.15 0.08 -0.81 0.00 0.00 175.30 174.75 3jrl s VAL 385 N 0.38 1.34 -0.11 7.11 1.01 -0.34 -1.54 120.40 128.25 3jrl s VAL 385 Ca 0.25 -0.62 0.03 0.00 0.00 0.00 0.00 61.98 61.65 3jrl s VAL 385 Cb -0.15 -1.19 0.01 0.00 0.00 0.00 0.00 36.38 35.05 3jrl s VAL 385 CO 0.11 0.40 -0.21 -0.60 0.00 0.00 0.00 175.10 174.80 3jrl s ARG 386 N 0.45 2.74 -0.51 2.72 3.52 -0.43 -1.12 118.95 126.31 3jrl s ARG 386 Ca -0.12 -0.76 -0.23 0.00 -0.13 0.00 0.00 55.73 54.48 3jrl s ARG 386 Cb -0.15 -2.15 0.04 0.00 -1.56 0.00 0.00 34.95 31.13 3jrl s ARG 386 CO 0.04 0.08 0.86 1.21 -0.81 0.00 0.00 175.30 176.68 3jrl s ASN 387 N 0.59 6.35 0.11 -2.12 3.84 -0.48 -0.47 114.94 122.76 3jrl s ASN 387 Ca -0.14 -0.34 0.17 0.00 0.21 0.00 0.00 52.86 52.76 3jrl s ASN 387 Cb -0.17 -2.40 -0.09 0.00 -0.55 0.00 0.00 41.25 38.04 3jrl s ASN 387 CO 0.04 -1.09 0.94 -0.37 -2.79 0.00 0.00 177.10 173.83 3jrl h VAL 388 N 5.99 0.49 -1.29 -5.21 -1.51 -1.46 -1.40 116.25 111.87 3jrl h VAL 388 Ca -0.26 -1.91 0.16 0.00 -1.23 0.00 0.00 66.70 63.46 3jrl h VAL 388 Cb 1.08 2.03 -0.30 0.00 -2.13 0.00 0.00 31.29 31.97 3jrl h VAL 388 CO 1.04 0.28 0.60 -0.75 -1.23 0.00 0.00 177.57 177.51 3jrl s LYS 389 N -2.98 0.22 -0.10 5.19 2.47 -1.20 -4.73 119.74 118.62 3jrl s LYS 389 Ca -0.02 0.35 0.01 0.00 -1.56 0.00 0.00 55.97 54.75 3jrl s LYS 389 Cb 0.09 0.06 -0.02 0.00 -1.46 0.00 0.00 37.83 36.49 3jrl s LYS 389 CO 0.80 -0.04 -0.11 -1.21 0.16 0.00 0.00 175.35 174.95 3jrl s GLU 390 N 0.94 3.03 0.00 4.03 2.02 -1.26 -0.67 118.70 126.79 3jrl s GLU 390 Ca -0.05 -0.64 0.01 0.00 0.02 0.00 0.00 54.97 54.30 3jrl s GLU 390 Cb -0.03 -2.58 -0.00 0.00 0.10 0.00 0.00 34.13 31.61 3jrl s GLU 390 CO -0.12 0.43 -0.03 -1.54 0.02 0.00 0.00 175.26 174.02 3jrl s SER 391 N -0.21 0.31 -0.10 -0.19 1.04 0.13 -4.98 113.70 109.70 3jrl s SER 391 Ca 0.01 -0.11 -0.05 0.00 0.48 0.00 0.00 55.95 56.28 3jrl s SER 391 Cb -0.13 -0.02 -0.04 0.00 0.10 0.00 0.00 66.02 65.94 3jrl s SER 391 CO 0.03 -0.01 0.09 0.00 0.98 0.00 0.00 173.24 174.32 3jrl s ALA 392 N -0.25 3.64 0.00 5.32 0.00 -1.26 0.26 121.76 129.47 3jrl s ALA 392 Ca -0.01 -0.71 0.00 0.00 0.00 0.00 0.00 51.96 51.24 3jrl s ALA 392 Cb -0.02 -1.77 0.00 0.00 0.00 0.00 0.00 23.12 21.33 3jrl s ALA 392 CO -0.00 0.61 0.00 0.00 0.00 0.00 0.00 175.76 176.37 3jrl n ALA 393 N 2.02 0.00 -1.00 0.00 0.00 0.17 -4.98 120.51 116.72 3jrl n ALA 393 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.25 3jrl n ALA 393 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 3jrl n ALA 393 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 3jrl n HIS 394 N 0.00 0.00 0.48 0.00 -0.00 -1.26 -3.71 115.22 110.73 3jrl n HIS 394 Ca 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 57.72 57.75 3jrl n HIS 394 Cb 0.00 0.00 0.14 0.00 -0.00 0.00 0.00 29.99 30.13 3jrl n HIS 394 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.34 176.09 3jrl n ASP 395 N -0.23 2.47 -3.65 0.26 8.00 -1.26 -4.94 116.55 117.20 3jrl n ASP 395 Ca 0.00 -2.27 -0.09 0.00 0.71 0.00 0.00 54.79 53.14 3jrl n ASP 395 Cb 0.00 -0.48 -0.02 0.00 -0.02 0.00 0.00 41.12 40.59 3jrl n ASP 395 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 3jrl s TYR 396 N -1.65 -0.34 -0.06 1.24 -0.85 -1.24 -2.37 117.35 112.07 3jrl s TYR 396 Ca 0.20 0.01 0.03 0.00 -0.52 0.00 0.00 57.07 56.79 3jrl s TYR 396 Cb 0.14 0.62 -0.02 0.00 0.38 0.00 0.00 41.96 43.08 3jrl s TYR 396 CO 0.07 -1.04 -0.16 0.99 -1.52 0.00 0.00 175.55 173.89 3jrl s THR 397 N -3.84 2.86 -0.14 -3.49 2.01 -0.22 0.46 115.64 113.28 3jrl s THR 397 Ca 0.06 -0.78 -0.01 0.00 0.31 0.00 0.00 61.69 61.27 3jrl s THR 397 Cb -0.03 -2.12 -0.01 0.00 0.01 0.00 0.00 72.50 70.34 3jrl s THR 397 CO -0.03 0.57 -0.12 -0.22 -0.69 0.00 0.00 174.62 174.14 3jrl s LEU 398 N -0.43 2.75 -0.20 4.42 2.96 0.14 -0.00 118.68 128.33 3jrl s LEU 398 Ca 0.05 -0.33 0.01 0.00 -0.22 0.00 0.00 54.13 53.63 3jrl s LEU 398 Cb -0.12 -1.63 0.02 0.00 0.50 0.00 0.00 46.19 44.96 3jrl s LEU 398 CO 0.02 0.14 -0.17 -0.13 -1.32 0.00 0.00 176.35 174.89 3jrl s ARG 399 N 0.50 2.94 -0.42 1.98 0.52 0.15 -0.69 118.95 123.93 3jrl s ARG 399 Ca -0.08 -0.87 -0.23 0.00 -0.52 0.00 0.00 55.73 54.02 3jrl s ARG 399 Cb -0.16 -2.66 0.02 0.00 0.52 0.00 0.00 34.95 32.67 3jrl s ARG 399 CO 0.04 -0.26 0.79 -2.00 0.02 0.00 0.00 175.30 173.89 3jrl s GLU 400 N 1.29 3.53 0.12 3.54 2.12 0.15 -0.95 118.70 128.50 3jrl s GLU 400 Ca 0.03 0.05 0.07 0.00 0.36 0.00 0.00 54.97 55.48 3jrl s GLU 400 Cb -0.14 -3.89 -0.04 0.00 0.26 0.00 0.00 34.13 30.32 3jrl s GLU 400 CO -0.11 -1.03 -0.08 -0.51 -0.54 0.00 0.00 175.26 172.99 3jrl s LEU 401 N 3.25 3.09 -0.25 2.70 1.43 0.11 -1.19 118.68 127.83 3jrl s LEU 401 Ca 0.31 -0.40 -0.02 0.00 -1.03 0.00 0.00 54.13 52.99 3jrl s LEU 401 Cb -0.12 -1.85 0.02 0.00 0.03 0.00 0.00 46.19 44.26 3jrl s LEU 401 CO 0.21 0.16 -0.05 -0.54 0.23 0.00 0.00 176.35 176.36 3jrl s LYS 402 N -2.37 2.93 -0.11 1.70 -0.14 0.38 -0.00 119.74 122.14 3jrl s LYS 402 Ca 0.23 -0.92 -0.02 0.00 -1.36 0.00 0.00 55.97 53.90 3jrl s LYS 402 Cb -0.11 -3.01 -0.03 0.00 -1.68 0.00 0.00 37.83 33.00 3jrl s LYS 402 CO 0.15 -0.37 -0.03 -1.17 -0.76 0.00 0.00 175.35 173.17 3jrl s LEU 403 N 1.36 3.36 0.20 3.17 2.96 -0.12 -1.31 118.68 128.30 3jrl s LEU 403 Ca 0.01 0.00 -0.18 0.00 -0.22 0.00 0.00 54.13 53.75 3jrl s LEU 403 Cb -0.16 -1.77 0.03 0.00 0.50 0.00 0.00 46.19 44.78 3jrl s LEU 403 CO -0.04 0.30 0.54 -0.94 -1.32 0.00 0.00 176.35 174.89 3jrl s SER 404 N -0.41 -0.27 -0.26 3.68 1.04 -0.59 -0.78 113.70 116.11 3jrl s SER 404 Ca 0.07 -0.48 -0.11 0.00 0.48 0.00 0.00 55.95 55.91 3jrl s SER 404 Cb -0.12 0.59 -0.05 0.00 0.10 0.00 0.00 66.02 66.54 3jrl s SER 404 CO 0.02 -1.07 0.18 -0.75 0.98 0.00 0.00 173.24 172.60 3jrl s LYS 405 N -3.87 4.01 0.31 4.02 2.20 -1.26 -0.58 119.74 124.57 3jrl s LYS 405 Ca 0.09 -0.28 0.08 0.00 -0.36 0.00 0.00 55.97 55.50 3jrl s LYS 405 Cb -0.01 -3.60 0.84 0.00 -1.51 0.00 0.00 37.83 33.54 3jrl s LYS 405 CO -0.02 -0.06 1.71 0.28 -0.36 0.00 0.00 175.35 176.90 3jrl h VAL 406 N 5.19 0.50 0.00 4.02 2.07 -1.11 -1.78 116.25 125.15 3jrl h VAL 406 Ca -0.36 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 66.98 3jrl h VAL 406 Cb 1.18 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.91 3jrl h VAL 406 CO 0.61 0.09 -0.12 1.23 0.02 0.00 0.00 177.57 179.40 3jrl h GLY 407 N 0.50 0.00 -2.15 2.17 0.00 -1.95 -3.47 103.07 98.18 3jrl h GLY 407 Ca 0.62 0.00 -0.47 0.00 0.00 0.00 0.00 47.33 47.47 3jrl h GLY 407 CO -0.50 0.00 -0.31 1.20 0.00 0.00 0.00 176.54 176.93 3jrl s GLN 408 N -3.13 2.59 -0.10 4.80 -0.21 -0.67 -5.08 119.66 117.87 3jrl s GLN 408 Ca 0.09 -1.48 0.06 0.00 0.02 0.00 0.00 55.36 54.06 3jrl s GLN 408 Cb 0.12 -2.51 -0.10 0.00 1.00 0.00 0.00 33.01 31.51 3jrl s GLN 408 CO 0.63 -0.31 -0.01 0.41 -2.12 0.00 0.00 175.29 173.89 3jrl n GLY 409 N -1.73 -0.38 2.65 3.09 0.00 -1.26 -4.76 105.19 102.79 3jrl n GLY 409 Ca 0.06 -0.13 -0.29 0.00 0.00 0.00 0.00 46.02 45.65 3jrl n GLY 409 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3jrl n ASN 410 N -2.49 5.15 -0.06 1.61 3.02 -1.26 -4.71 115.26 116.52 3jrl n ASN 410 Ca -0.17 -3.73 0.03 0.00 -0.03 0.00 0.00 54.58 50.68 3jrl n ASN 410 Cb 0.78 -0.59 -0.02 0.00 -0.61 0.00 0.00 39.78 39.34 3jrl n ASN 410 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3jrl n THR 411 N -0.42 0.00 -1.99 3.41 -2.24 -1.26 -5.05 114.28 106.73 3jrl n THR 411 Ca 0.40 -0.40 -0.41 0.00 -2.27 0.00 0.00 64.05 61.37 3jrl n THR 411 Cb 0.53 1.03 -0.01 0.00 -2.10 0.00 0.00 70.33 69.77 3jrl n THR 411 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3jrl s GLU 412 N -1.31 4.21 0.05 -0.78 2.12 -1.25 -4.57 118.70 117.16 3jrl s GLU 412 Ca 0.03 2.34 -0.18 0.00 0.36 0.00 0.00 54.97 57.52 3jrl s GLU 412 Cb 0.05 -2.99 0.04 0.00 0.26 0.00 0.00 34.13 31.48 3jrl s GLU 412 CO 0.20 -0.36 0.42 -0.98 -0.54 0.00 0.00 175.26 174.00 3jrl s ARG 413 N -1.96 0.93 0.06 4.30 3.03 0.04 -4.99 118.95 120.37 3jrl s ARG 413 Ca 0.51 -0.37 -0.22 0.00 2.03 0.00 0.00 55.73 57.69 3jrl s ARG 413 Cb -0.42 0.42 -0.06 0.00 -1.03 0.00 0.00 34.95 33.85 3jrl s ARG 413 CO 0.56 -0.32 0.65 0.99 -1.13 0.00 0.00 175.30 176.05 3jrl s THR 414 N -2.52 4.71 -0.15 4.99 2.01 -1.26 -0.94 115.64 122.48 3jrl s THR 414 Ca -0.05 1.40 0.01 0.00 0.31 0.00 0.00 61.69 63.36 3jrl s THR 414 Cb -0.01 -4.00 0.02 0.00 0.01 0.00 0.00 72.50 68.52 3jrl s THR 414 CO -0.03 0.47 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.51 3jrl s VAL 415 N -0.65 1.81 -0.35 3.82 1.01 1.00 -4.72 120.40 122.33 3jrl s VAL 415 Ca 0.33 -0.81 -0.16 0.00 0.00 0.00 0.00 61.98 61.34 3jrl s VAL 415 Cb -0.20 -1.65 -0.01 0.00 0.00 0.00 0.00 36.38 34.53 3jrl s VAL 415 CO 0.21 0.50 0.39 0.26 0.00 0.00 0.00 175.10 176.46 3jrl s TRP 416 N 1.15 3.20 -0.33 5.22 0.52 0.14 -0.71 118.94 128.14 3jrl s TRP 416 Ca -0.01 -0.00 -0.12 0.00 0.02 0.00 0.00 56.10 55.99 3jrl s TRP 416 Cb -0.14 -2.72 -0.02 0.00 -1.15 0.00 0.00 33.47 29.43 3jrl s TRP 416 CO -0.07 -0.46 0.22 -1.14 0.02 0.00 0.00 176.95 175.52 3jrl s GLN 417 N 2.09 3.54 -0.40 4.98 0.74 -0.13 -0.72 119.66 129.76 3jrl s GLN 417 Ca 0.13 -0.61 -0.15 0.00 0.05 0.00 0.00 55.36 54.78 3jrl s GLN 417 Cb -0.16 -3.75 0.01 0.00 1.10 0.00 0.00 33.01 30.22 3jrl s GLN 417 CO 0.12 -0.40 0.33 0.71 -0.55 0.00 0.00 175.29 175.50 3jrl s TYR 418 N 1.71 3.22 -0.43 1.67 2.02 0.77 -0.68 117.35 125.64 3jrl s TYR 418 Ca 0.06 -0.48 -0.12 0.00 -0.37 0.00 0.00 57.07 56.17 3jrl s TYR 418 Cb -0.17 -2.65 0.07 0.00 -0.40 0.00 0.00 41.96 38.81 3jrl s TYR 418 CO 0.10 -0.58 0.30 -1.58 -1.57 0.00 0.00 175.55 172.21 3jrl s HIS 419 N 1.80 3.29 -0.29 2.71 5.65 1.00 -1.01 115.29 128.43 3jrl s HIS 419 Ca 0.07 -1.23 -0.29 0.00 0.25 0.00 0.00 55.06 53.86 3jrl s HIS 419 Cb -0.18 -2.94 0.01 0.00 -1.18 0.00 0.00 32.58 28.29 3jrl s HIS 419 CO 0.11 -0.80 1.05 0.12 -0.65 0.00 0.00 174.74 174.58 3jrl s PHE 420 N 1.52 3.21 -0.55 3.88 5.36 0.22 -1.05 117.98 130.56 3jrl s PHE 420 Ca 0.03 1.26 0.05 0.00 -0.96 0.00 0.00 56.93 57.32 3jrl s PHE 420 Cb -0.23 -3.55 0.09 0.00 -0.34 0.00 0.00 43.02 38.99 3jrl s PHE 420 CO 0.04 -0.68 0.87 0.54 -1.46 0.00 0.00 175.22 174.54 3jrl n ARG 421 N 6.69 1.16 -0.23 10.12 1.74 -1.00 -3.94 116.66 131.19 3jrl n ARG 421 Ca 0.12 -1.23 0.09 0.00 -0.77 0.00 0.00 57.85 56.05 3jrl n ARG 421 Cb 0.47 -1.11 0.21 0.00 -1.02 0.00 0.00 32.46 31.01 3jrl n ARG 421 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3jrl n THR 422 N 0.15 0.81 -1.89 0.55 -2.24 -1.25 -4.90 114.28 105.52 3jrl n THR 422 Ca 0.04 -0.91 -0.42 0.00 -2.27 0.00 0.00 64.05 60.50 3jrl n THR 422 Cb 0.22 0.66 -0.02 0.00 -2.10 0.00 0.00 70.33 69.09 3jrl n THR 422 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 3jrl s TRP 423 N -1.09 2.92 0.74 4.78 -0.11 -1.26 -4.92 118.94 120.00 3jrl s TRP 423 Ca 0.34 0.80 -0.15 0.00 1.22 0.00 0.00 56.10 58.31 3jrl s TRP 423 Cb 0.18 -3.96 0.04 0.00 -1.50 0.00 0.00 33.47 28.24 3jrl s TRP 423 CO 0.25 -3.29 1.23 -1.25 -4.62 0.00 0.00 176.95 169.27 3jrl s PRO 424 N -0.00 2.07 0.29 5.86 0.04 -1.26 -4.91 135.00 137.08 3jrl s PRO 424 Ca 0.64 1.83 -0.02 0.00 0.04 0.00 0.00 61.00 63.49 3jrl s PRO 424 Cb -0.45 -1.82 0.43 0.00 0.04 0.00 0.00 34.50 32.71 3jrl s PRO 424 CO 0.42 -1.91 1.92 -0.44 0.04 0.00 0.00 177.00 177.03 3jrl h ASP 425 N -0.30 0.88 -3.93 6.66 5.19 -1.99 -3.42 116.42 119.51 3jrl h ASP 425 Ca -0.48 -0.07 -0.68 0.00 -0.62 0.00 0.00 57.03 55.18 3jrl h ASP 425 Cb 1.31 -0.22 -0.32 0.00 0.18 0.00 0.00 39.33 40.28 3jrl h ASP 425 CO 0.49 0.71 -0.88 -2.28 -3.12 0.00 0.00 179.24 174.16 3jrl s HIS 426 N -5.66 2.37 0.00 4.55 2.46 -1.26 -4.97 115.29 112.78 3jrl s HIS 426 Ca -0.11 -0.73 0.00 0.00 0.47 0.00 0.00 55.06 54.69 3jrl s HIS 426 Cb 0.17 -1.56 0.00 0.00 -0.13 0.00 0.00 32.58 31.06 3jrl s HIS 426 CO 0.79 -0.23 0.00 0.41 -2.47 0.00 0.00 174.74 173.24 3jrl n GLY 427 N 3.03 0.25 3.53 1.59 0.00 -1.26 -4.92 105.19 107.41 3jrl n GLY 427 Ca -0.18 -0.91 -0.25 0.00 0.00 0.00 0.00 46.02 44.69 3jrl n GLY 427 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3jrl s VAL 428 N 0.00 1.50 0.35 1.61 -7.23 -1.26 -4.71 120.40 110.66 3jrl s VAL 428 Ca 0.00 -2.00 -0.28 0.00 -1.81 0.00 0.00 61.98 57.89 3jrl s VAL 428 Cb 0.00 -2.85 -0.11 0.00 0.56 0.00 0.00 36.38 33.98 3jrl s VAL 428 CO 0.00 0.00 1.42 -2.84 -0.31 0.00 0.00 175.10 173.37 3jrl s PRO 429 N -3.81 4.21 0.49 4.82 0.02 -1.26 -4.83 135.00 134.64 3jrl s PRO 429 Ca 0.35 2.43 0.27 0.00 0.02 0.00 0.00 61.00 64.06 3jrl s PRO 429 Cb 0.09 -3.01 1.25 0.00 0.02 0.00 0.00 34.50 32.85 3jrl s PRO 429 CO 0.16 -0.40 1.97 0.66 -0.33 0.00 0.00 177.00 179.06 3jrl h SER 430 N 3.28 0.00 -3.80 2.53 4.64 -1.99 -3.42 113.55 114.79 3jrl h SER 430 Ca -0.50 0.00 -0.41 0.00 -0.47 0.00 0.00 61.79 60.41 3jrl h SER 430 Cb 1.23 0.00 -0.31 0.00 -0.31 0.00 0.00 62.40 63.02 3jrl h SER 430 CO 0.66 0.15 -0.78 -0.62 -0.87 0.00 0.00 176.83 175.37 3jrl s ASP 431 N -6.09 1.08 0.00 4.97 2.15 -1.26 -5.06 116.67 112.46 3jrl s ASP 431 Ca -0.01 -0.16 0.30 0.00 0.43 0.00 0.00 52.55 53.10 3jrl s ASP 431 Cb 0.12 -0.28 1.42 0.00 -0.30 0.00 0.00 42.92 43.87 3jrl s ASP 431 CO 0.60 0.05 1.98 -0.81 -0.17 0.00 0.00 175.17 176.82 3jrl n PRO 432 N 3.30 0.60 -0.30 4.34 -0.04 -1.26 -4.28 135.00 137.36 3jrl n PRO 432 Ca -0.18 -0.11 0.08 0.00 -0.04 0.00 0.00 63.50 63.25 3jrl n PRO 432 Cb 0.55 -1.50 0.24 0.00 -0.04 0.00 0.00 33.50 32.75 3jrl n PRO 432 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 3jrl h GLY 433 N 4.98 1.41 0.99 0.55 0.00 -1.97 -0.88 103.07 108.16 3jrl h GLY 433 Ca 0.00 -0.24 -0.03 0.00 0.00 0.00 0.00 47.33 47.06 3jrl h GLY 433 CO 0.00 -0.08 0.24 -1.33 0.00 0.00 0.00 176.54 175.37 3jrl h GLY 434 N 0.58 0.93 1.12 4.60 0.00 -2.00 -0.74 103.07 107.56 3jrl h GLY 434 Ca 0.48 -0.50 -0.14 0.00 0.00 0.00 0.00 47.33 47.17 3jrl h GLY 434 CO -0.39 0.47 -0.25 -2.08 0.00 0.00 0.00 176.54 174.29 3jrl h VAL 435 N 0.80 1.27 -0.59 4.60 2.07 -1.70 -2.32 116.25 120.37 3jrl h VAL 435 Ca 0.19 -1.42 -0.07 0.00 0.82 0.00 0.00 66.70 66.22 3jrl h VAL 435 Cb 0.20 1.17 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 3jrl h VAL 435 CO -0.02 0.49 0.08 -0.07 0.02 0.00 0.00 177.57 178.07 3jrl h LEU 436 N 0.84 0.95 -0.85 2.57 3.38 -0.95 0.53 115.31 121.78 3jrl h LEU 436 Ca 0.10 -0.27 -0.10 0.00 0.09 0.00 0.00 57.88 57.71 3jrl h LEU 436 Cb 0.84 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 3jrl h LEU 436 CO 0.07 0.97 -0.19 0.44 0.09 0.00 0.00 178.44 179.83 3jrl h ASP 437 N 0.88 0.65 0.29 -0.43 3.32 -1.13 -1.38 116.42 118.61 3jrl h ASP 437 Ca 0.18 -0.21 -0.01 0.00 0.02 0.00 0.00 57.03 57.00 3jrl h ASP 437 Cb 0.44 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.82 3jrl h ASP 437 CO 0.01 0.84 -0.14 0.15 -1.72 0.00 0.00 179.24 178.39 3jrl h PHE 438 N 0.58 -0.36 0.00 4.55 3.57 -1.04 -2.54 116.94 121.69 3jrl h PHE 438 Ca 0.09 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.56 3jrl h PHE 438 Cb 0.64 0.12 -0.00 0.00 2.79 0.00 0.00 35.95 39.50 3jrl h PHE 438 CO 0.03 -0.15 -0.11 -0.07 -2.23 0.00 0.00 178.31 175.78 3jrl h LEU 439 N -0.49 0.00 -0.51 0.59 3.38 -0.75 -1.79 115.31 115.73 3jrl h LEU 439 Ca -0.04 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.80 3jrl h LEU 439 Cb 0.37 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 3jrl h LEU 439 CO 0.06 0.11 -0.18 -0.08 0.09 0.00 0.00 178.44 178.45 3jrl h GLU 440 N 0.00 1.02 -0.01 1.13 4.57 -0.98 -0.09 114.58 120.23 3jrl h GLU 440 Ca -0.00 -0.42 -0.00 0.00 -1.18 0.00 0.00 59.36 57.76 3jrl h GLU 440 Cb 0.24 -0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 28.78 3jrl h GLU 440 CO 0.01 1.10 -0.00 0.93 -1.18 0.00 0.00 179.01 179.88 3jrl h GLU 441 N 0.89 0.01 -0.74 1.92 4.39 -0.96 -1.51 114.58 118.58 3jrl h GLU 441 Ca 0.12 -0.00 0.12 0.00 0.34 0.00 0.00 59.36 59.94 3jrl h GLU 441 Cb 0.76 -0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 29.32 3jrl h GLU 441 CO 0.06 0.36 0.32 0.28 -1.16 0.00 0.00 179.01 178.88 3jrl h VAL 442 N -0.34 0.73 -0.00 3.13 2.07 -1.27 0.12 116.25 120.68 3jrl h VAL 442 Ca 0.00 -0.17 0.01 0.00 0.82 0.00 0.00 66.70 67.36 3jrl h VAL 442 Cb 0.36 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.30 3jrl h VAL 442 CO 0.00 0.09 -0.07 -0.74 0.02 0.00 0.00 177.57 176.87 3jrl h HIS 443 N 0.50 -0.17 -0.77 1.57 -0.00 -0.86 0.16 115.15 115.58 3jrl h HIS 443 Ca 0.39 0.01 -0.02 0.00 -0.00 0.00 0.00 60.37 60.75 3jrl h HIS 443 Cb 0.54 0.08 -0.04 0.00 -0.00 0.00 0.00 27.41 27.99 3jrl h HIS 443 CO -0.14 -0.11 0.40 0.45 -0.00 0.00 0.00 177.93 178.52 3jrl h HIS 444 N -0.12 1.07 -0.24 5.26 -0.00 -0.30 -1.67 115.15 119.14 3jrl h HIS 444 Ca 0.03 -0.03 -0.04 0.00 -0.00 0.00 0.00 60.37 60.32 3jrl h HIS 444 Cb 0.16 -0.34 -0.01 0.00 -0.00 0.00 0.00 27.41 27.22 3jrl h HIS 444 CO -0.14 0.76 -0.01 -0.22 -0.00 0.00 0.00 177.93 178.33 3jrl h LYS 445 N 1.09 0.44 -0.78 2.45 1.63 -0.46 -2.34 116.57 118.60 3jrl h LYS 445 Ca 0.27 -0.14 0.02 0.00 -0.85 0.00 0.00 60.65 59.94 3jrl h LYS 445 Cb 0.07 -0.04 -0.04 0.00 -0.60 0.00 0.00 32.23 31.62 3jrl h LYS 445 CO -0.04 0.62 0.51 0.37 -3.45 0.00 0.00 179.45 177.46 3jrl h GLN 446 N 0.21 1.00 0.00 1.90 5.75 -0.71 -2.09 115.11 121.16 3jrl h GLN 446 Ca 0.07 -0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.51 3jrl h GLN 446 Cb 0.43 -0.22 0.00 0.00 1.07 0.00 0.00 27.48 28.75 3jrl h GLN 446 CO 0.01 0.66 0.00 0.39 -2.65 0.00 0.00 178.83 177.24 3jrl n GLU 447 N -4.56 0.40 0.00 1.69 1.02 -0.65 -3.11 120.64 115.42 3jrl n GLU 447 Ca 0.08 0.03 0.12 0.00 -0.02 0.00 0.00 57.16 57.37 3jrl n GLU 447 Cb 0.04 -1.50 0.24 0.00 -0.02 0.00 0.00 31.44 30.20 3jrl n GLU 447 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 3jrl n SER 448 N -1.28 1.63 -4.35 1.62 3.41 -0.79 -4.84 113.62 109.02 3jrl n SER 448 Ca 0.13 -1.30 -0.33 0.00 -0.26 0.00 0.00 58.87 57.11 3jrl n SER 448 Cb 0.21 0.22 -0.14 0.00 -0.26 0.00 0.00 64.21 64.24 3jrl n SER 448 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3jrl s ILE 449 N -2.37 3.11 -0.01 -1.33 1.01 -1.18 -5.08 121.20 115.35 3jrl s ILE 449 Ca 0.25 -0.62 -0.30 0.00 0.00 0.00 0.00 60.65 59.97 3jrl s ILE 449 Cb 0.19 -2.34 -0.07 0.00 0.01 0.00 0.00 42.46 40.25 3jrl s ILE 449 CO 0.49 0.50 1.84 -0.32 0.00 0.00 0.00 174.94 177.45 3jrl s MET 450 N 0.65 4.14 -1.57 2.79 -2.45 -1.26 -3.42 119.30 118.18 3jrl s MET 450 Ca -0.06 2.42 -0.11 0.00 -1.25 0.00 0.00 55.69 56.69 3jrl s MET 450 Cb -0.15 -4.09 0.09 0.00 1.25 0.00 0.00 34.83 31.92 3jrl s MET 450 CO 0.03 -0.93 0.69 -0.25 1.05 0.00 0.00 175.02 175.61 3jrl n ASP 451 N 7.43 -2.45 -4.76 1.11 8.00 -1.26 -4.93 116.55 119.68 3jrl n ASP 451 Ca 0.19 -0.97 -0.37 0.00 0.71 0.00 0.00 54.79 54.34 3jrl n ASP 451 Cb 0.42 -3.06 0.01 0.00 -0.02 0.00 0.00 41.12 38.47 3jrl n ASP 451 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3jrl s ALA 452 N -3.54 2.90 1.00 2.24 0.00 -1.22 -5.02 121.76 118.12 3jrl s ALA 452 Ca 0.46 1.07 0.00 0.00 0.00 0.00 0.00 51.96 53.49 3jrl s ALA 452 Cb -0.24 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.43 3jrl s ALA 452 CO 0.90 -0.92 0.00 0.41 0.00 0.00 0.00 175.76 176.15 3jrl n GLY 453 N 0.54 -1.76 3.67 0.00 0.00 0.11 -4.95 105.19 102.79 3jrl n GLY 453 Ca 0.09 -1.52 -0.39 0.00 0.00 0.00 0.00 46.02 44.20 3jrl n GLY 453 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3jrl n PRO 454 N -0.72 1.40 -2.78 1.61 -0.02 -1.26 -4.57 135.00 128.66 3jrl n PRO 454 Ca 0.00 0.52 -0.42 0.00 -2.02 0.00 0.00 63.50 61.58 3jrl n PRO 454 Cb 0.00 -2.32 -0.03 0.00 -0.02 0.00 0.00 33.50 31.13 3jrl n PRO 454 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3jrl s VAL 455 N -1.35 4.81 -0.08 -1.45 1.01 -0.86 -4.45 120.40 118.04 3jrl s VAL 455 Ca 0.70 1.83 -0.25 0.00 0.00 0.00 0.00 61.98 64.26 3jrl s VAL 455 Cb -0.45 -4.22 -0.03 0.00 0.00 0.00 0.00 36.38 31.67 3jrl s VAL 455 CO 0.51 -0.02 0.78 -0.69 0.00 0.00 0.00 175.10 175.68 3jrl s VAL 456 N 2.32 4.98 -0.06 2.92 1.01 -0.59 -1.32 120.40 129.65 3jrl s VAL 456 Ca 0.42 1.60 0.03 0.00 0.00 0.00 0.00 61.98 64.04 3jrl s VAL 456 Cb -0.17 -4.12 0.00 0.00 0.00 0.00 0.00 36.38 32.10 3jrl s VAL 456 CO 0.13 0.19 -0.16 -0.69 0.00 0.00 0.00 175.10 174.56 3jrl s VAL 457 N 1.13 1.43 0.06 2.92 1.01 0.18 0.11 120.40 127.24 3jrl s VAL 457 Ca 0.41 -0.67 -0.07 0.00 0.00 0.00 0.00 61.98 61.64 3jrl s VAL 457 Cb -0.18 -1.26 -0.01 0.00 0.00 0.00 0.00 36.38 34.93 3jrl s VAL 457 CO 0.19 0.42 0.14 -1.38 0.00 0.00 0.00 175.10 174.47 3jrl s HIS 458 N 0.38 0.18 0.00 5.22 -3.43 -0.50 -1.85 115.29 115.29 3jrl s HIS 458 Ca -0.12 -0.54 0.00 0.00 -0.80 0.00 0.00 55.06 53.60 3jrl s HIS 458 Cb -0.15 -0.11 0.00 0.00 -1.43 0.00 0.00 32.58 30.89 3jrl s HIS 458 CO 0.04 -0.45 0.00 0.00 -2.00 0.00 0.00 174.74 172.33 3jrl h SER 460 N 0.00 -0.85 -0.00 0.00 0.87 -1.90 0.21 113.55 111.88 3jrl h SER 460 Ca 0.00 0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.67 3jrl h SER 460 Cb 0.00 0.34 0.00 0.00 -0.44 0.00 0.00 62.40 62.30 3jrl h SER 460 CO 0.00 -0.21 -0.60 0.00 -0.53 0.00 0.00 176.83 175.49 3jrl n ALA 461 N -2.83 3.71 -1.21 6.23 0.00 -1.26 -3.38 120.51 121.78 3jrl n ALA 461 Ca -0.02 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.00 3jrl n ALA 461 Cb 0.17 -0.51 0.00 0.00 0.00 0.00 0.00 19.45 19.11 3jrl n ALA 461 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3jrl n GLY 462 N 1.29 0.46 0.00 0.00 0.00 -1.24 -4.28 105.19 101.42 3jrl n GLY 462 Ca 0.03 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.11 3jrl n GLY 462 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3jrl n ILE 463 N -3.18 0.00 0.00 -0.61 -5.35 -1.26 -4.43 119.36 104.54 3jrl n ILE 463 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 3jrl n ILE 463 Cb 0.15 -0.11 0.00 0.00 -1.74 0.00 0.00 39.64 37.94 3jrl n ILE 463 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3jrl n GLY 464 N 1.84 0.14 0.31 3.28 0.00 -1.26 -0.27 105.19 109.22 3jrl n GLY 464 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 3jrl n GLY 464 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3jrl h ARG 465 N 0.00 1.05 -0.79 1.61 2.43 -1.98 -1.18 114.38 115.52 3jrl h ARG 465 Ca 0.00 -0.14 0.04 0.00 -0.81 0.00 0.00 59.98 59.07 3jrl h ARG 465 Cb 0.00 -0.20 -0.05 0.00 -0.42 0.00 0.00 29.97 29.30 3jrl h ARG 465 CO 0.00 0.80 0.50 1.15 -1.51 0.00 0.00 179.97 180.91 3jrl h THR 466 N 1.03 1.11 -0.59 0.20 2.02 -1.87 -0.59 112.91 114.21 3jrl h THR 466 Ca 0.26 -0.33 -0.06 0.00 0.77 0.00 0.00 66.41 67.05 3jrl h THR 466 Cb 0.08 0.06 -0.02 0.00 -1.74 0.00 0.00 68.15 66.52 3jrl h THR 466 CO -0.04 0.18 0.15 1.23 0.37 0.00 0.00 175.52 177.41 3jrl h GLY 467 N 0.96 1.01 0.93 2.16 0.00 -0.81 -1.87 103.07 105.46 3jrl h GLY 467 Ca 0.32 -0.63 0.00 0.00 0.00 0.00 0.00 47.33 47.02 3jrl h GLY 467 CO -0.12 0.59 -0.06 -0.84 0.00 0.00 0.00 176.54 176.11 3jrl h THR 468 N 0.85 0.87 -0.82 4.70 2.02 -0.60 -0.83 112.91 119.09 3jrl h THR 468 Ca 0.19 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.36 3jrl h THR 468 Cb 0.34 0.87 -0.04 0.00 -1.74 0.00 0.00 68.15 67.57 3jrl h THR 468 CO 0.00 0.00 0.47 -0.26 0.37 0.00 0.00 175.52 176.10 3jrl h PHE 469 N -0.13 1.11 -0.21 3.16 -1.00 -1.05 -2.33 116.94 116.49 3jrl h PHE 469 Ca 0.00 -0.02 -0.05 0.00 2.81 0.00 0.00 57.97 60.72 3jrl h PHE 469 Cb 0.13 -0.36 -0.01 0.00 3.61 0.00 0.00 35.95 39.32 3jrl h PHE 469 CO -0.10 0.76 -0.07 0.82 -1.61 0.00 0.00 178.31 178.10 3jrl h ILE 470 N 1.14 1.30 -0.72 -0.55 2.04 -1.15 -1.86 117.51 117.71 3jrl h ILE 470 Ca 0.29 -1.10 -0.00 0.00 1.00 0.00 0.00 64.86 65.05 3jrl h ILE 470 Cb -0.01 1.59 -0.03 0.00 -0.74 0.00 0.00 36.82 37.62 3jrl h ILE 470 CO -0.05 0.34 0.43 0.58 0.00 0.00 0.00 178.15 179.45 3jrl h VAL 471 N 0.13 1.20 -0.27 1.67 2.07 -1.10 -0.33 116.25 119.63 3jrl h VAL 471 Ca 0.05 -0.45 0.00 0.00 0.82 0.00 0.00 66.70 67.12 3jrl h VAL 471 Cb 0.55 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 3jrl h VAL 471 CO 0.03 0.21 0.17 0.40 0.02 0.00 0.00 177.57 178.39 3jrl h ILE 472 N 0.98 1.09 -1.01 4.57 2.04 -1.38 -1.03 117.51 122.77 3jrl h ILE 472 Ca 0.26 -0.19 0.02 0.00 1.00 0.00 0.00 64.86 65.95 3jrl h ILE 472 Cb -0.03 0.73 -0.05 0.00 -0.74 0.00 0.00 36.82 36.73 3jrl h ILE 472 CO -0.05 0.08 0.66 -0.78 0.00 0.00 0.00 178.15 178.07 3jrl h ASP 473 N 0.35 1.13 -0.13 1.72 3.58 -0.85 0.98 116.42 123.19 3jrl h ASP 473 Ca 0.10 -0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.51 3jrl h ASP 473 Cb -0.01 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 40.76 3jrl h ASP 473 CO -0.02 0.80 0.04 0.40 -2.88 0.00 0.00 179.24 177.58 3jrl h ILE 474 N 1.33 1.19 -0.58 2.25 2.04 -0.74 -1.87 117.51 121.14 3jrl h ILE 474 Ca 0.38 -0.59 -0.09 0.00 1.00 0.00 0.00 64.86 65.56 3jrl h ILE 474 Cb -0.10 1.33 -0.02 0.00 -0.74 0.00 0.00 36.82 37.29 3jrl h ILE 474 CO -0.10 0.18 0.03 -0.07 0.00 0.00 0.00 178.15 178.18 3jrl h LEU 475 N 0.02 0.97 -1.19 1.44 3.38 -0.75 -2.59 115.31 116.59 3jrl h LEU 475 Ca 0.04 -0.29 -0.07 0.00 0.09 0.00 0.00 57.88 57.65 3jrl h LEU 475 Cb 0.24 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3jrl h LEU 475 CO -0.00 1.03 -0.16 0.40 0.09 0.00 0.00 178.44 179.80 3jrl h ILE 476 N 0.89 1.22 -0.52 1.22 1.08 -0.80 -2.51 117.51 118.09 3jrl h ILE 476 Ca 0.17 -0.99 -0.09 0.00 -0.39 0.00 0.00 64.86 63.55 3jrl h ILE 476 Cb 0.51 1.24 -0.02 0.00 -3.07 0.00 0.00 36.82 35.48 3jrl h ILE 476 CO 0.02 0.32 -0.02 0.44 -0.69 0.00 0.00 178.15 178.22 3jrl h ASP 477 N 0.34 0.91 -0.80 1.72 3.32 -1.07 -2.15 116.42 118.69 3jrl h ASP 477 Ca 0.06 -0.32 0.00 0.00 0.02 0.00 0.00 57.03 56.80 3jrl h ASP 477 Cb 0.49 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.75 3jrl h ASP 477 CO 0.03 1.01 0.51 0.40 -1.72 0.00 0.00 179.24 179.47 3jrl h ILE 478 N 0.79 1.22 0.00 0.35 2.04 -1.09 -0.78 117.51 120.04 3jrl h ILE 478 Ca 0.14 -0.44 -0.09 0.00 1.00 0.00 0.00 64.86 65.47 3jrl h ILE 478 Cb 0.56 0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.68 3jrl h ILE 478 CO 0.03 0.22 -0.44 0.40 0.00 0.00 0.00 178.15 178.36 3jrl h ILE 479 N 1.10 1.32 0.00 -0.67 2.04 -1.23 -0.55 117.51 119.52 3jrl h ILE 479 Ca 0.29 -1.51 -0.06 0.00 1.00 0.00 0.00 64.86 64.58 3jrl h ILE 479 Cb -0.08 1.81 -0.01 0.00 -0.74 0.00 0.00 36.82 37.80 3jrl h ILE 479 CO -0.06 0.43 -0.31 0.03 0.00 0.00 0.00 178.15 178.25 3jrl h ARG 480 N 0.00 0.00 0.00 2.37 3.08 -0.49 0.31 114.38 119.65 3jrl h ARG 480 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3jrl h ARG 480 Cb 0.78 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.83 3jrl h ARG 480 CO 0.06 0.31 -1.76 -0.85 -1.07 0.00 0.00 179.97 176.65 3jrl n GLU 481 N -3.62 0.61 -0.01 0.04 0.28 -0.95 -4.67 120.64 112.32 3jrl n GLU 481 Ca -0.01 -0.16 0.02 0.00 -0.16 0.00 0.00 57.16 56.86 3jrl n GLU 481 Cb 0.43 -1.44 -0.04 0.00 1.43 0.00 0.00 31.44 31.82 3jrl n GLU 481 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 3jrl n LYS 482 N -2.08 0.59 0.00 3.44 5.02 -0.24 -5.11 118.16 119.77 3jrl n LYS 482 Ca -0.03 -0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.22 3jrl n LYS 482 Cb 0.47 -1.12 0.00 0.00 -0.02 0.00 0.00 35.03 34.36 3jrl n LYS 482 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3jrl n GLY 483 N 2.28 2.17 0.00 0.72 0.00 0.09 -4.50 105.19 105.96 3jrl n GLY 483 Ca -0.02 -1.95 0.00 0.00 0.00 0.00 0.00 46.02 44.05 3jrl n GLY 483 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3jrl n VAL 484 N 1.40 1.13 0.21 1.61 0.24 -1.26 -2.00 118.33 119.66 3jrl n VAL 484 Ca 0.00 0.28 0.05 0.00 -2.04 0.00 0.00 64.34 62.63 3jrl n VAL 484 Cb 0.00 -1.27 0.06 0.00 -1.47 0.00 0.00 33.84 31.16 3jrl n VAL 484 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 3jrl n ASP 485 N -1.29 2.07 -4.55 -1.34 8.00 -1.26 -5.03 116.55 113.15 3jrl n ASP 485 Ca 0.00 -1.57 -0.29 0.00 0.71 0.00 0.00 54.79 53.64 3jrl n ASP 485 Cb 0.00 -0.06 0.22 0.00 -0.02 0.00 0.00 41.12 41.27 3jrl n ASP 485 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3jrl s ASP 487 N -2.63 6.91 -0.16 0.00 2.15 -1.26 -5.04 116.67 116.64 3jrl s ASP 487 Ca 0.68 1.11 -0.01 0.00 0.43 0.00 0.00 52.55 54.76 3jrl s ASP 487 Cb -0.24 -2.42 -0.01 0.00 -0.30 0.00 0.00 42.92 39.95 3jrl s ASP 487 CO 0.62 -0.30 -0.11 -0.63 -0.17 0.00 0.00 175.17 174.58 3jrl s ILE 488 N 1.77 3.11 -0.50 4.11 -1.09 -1.26 -5.07 121.20 122.26 3jrl s ILE 488 Ca 0.36 -0.62 0.03 0.00 -2.23 0.00 0.00 60.65 58.19 3jrl s ILE 488 Cb -0.17 -2.34 0.15 0.00 -1.58 0.00 0.00 42.46 38.52 3jrl s ILE 488 CO 0.14 0.50 0.31 -0.62 -1.23 0.00 0.00 174.94 174.03 3jrl s ASP 489 N 0.71 3.64 0.15 3.58 -1.08 -1.26 -5.00 116.67 117.40 3jrl s ASP 489 Ca -0.05 -2.99 -0.20 0.00 -0.52 0.00 0.00 52.55 48.79 3jrl s ASP 489 Cb -0.15 -1.14 0.03 0.00 -1.46 0.00 0.00 42.92 40.20 3jrl s ASP 489 CO 0.02 -0.21 1.67 0.58 0.52 0.00 0.00 175.17 177.75 3jrl h VAL 490 N 5.00 0.59 -0.79 1.11 2.07 -1.99 -1.03 116.25 121.22 3jrl h VAL 490 Ca 0.06 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.65 3jrl h VAL 490 Cb 0.88 0.59 -0.07 0.00 -1.52 0.00 0.00 31.29 31.18 3jrl h VAL 490 CO 0.54 0.00 0.46 -0.65 0.02 0.00 0.00 177.57 177.94 3jrl h PRO 491 N -0.10 0.78 -0.48 1.57 0.11 -1.99 0.08 132.00 131.98 3jrl h PRO 491 Ca 0.14 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 66.16 3jrl h PRO 491 Cb 0.31 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 31.22 3jrl h PRO 491 CO -0.33 0.52 0.15 -0.22 -0.21 0.00 0.00 178.00 177.91 3jrl h LYS 492 N 0.81 0.74 -0.62 1.05 3.64 -1.86 -1.31 116.57 119.02 3jrl h LYS 492 Ca 0.37 -0.16 -0.03 0.00 -1.27 0.00 0.00 60.65 59.55 3jrl h LYS 492 Cb 0.27 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 31.96 3jrl h LYS 492 CO -0.21 0.71 0.26 1.15 -2.27 0.00 0.00 179.45 179.08 3jrl h THR 493 N 0.64 1.23 -0.56 1.00 2.02 -0.61 -1.49 112.91 115.13 3jrl h THR 493 Ca 0.15 -0.70 -0.07 0.00 0.77 0.00 0.00 66.41 66.56 3jrl h THR 493 Cb 0.27 0.53 -0.02 0.00 -1.74 0.00 0.00 68.15 67.19 3jrl h THR 493 CO -0.00 0.28 0.08 0.40 0.37 0.00 0.00 175.52 176.64 3jrl h ILE 494 N 0.87 1.26 -0.37 3.11 2.04 -0.82 -2.05 117.51 121.55 3jrl h ILE 494 Ca 0.21 -0.99 -0.08 0.00 1.00 0.00 0.00 64.86 65.00 3jrl h ILE 494 Cb 0.19 0.81 -0.02 0.00 -0.74 0.00 0.00 36.82 37.06 3jrl h ILE 494 CO -0.02 0.36 -0.09 1.56 0.00 0.00 0.00 178.15 179.96 3jrl h GLN 495 N 0.83 0.63 -0.72 2.37 4.20 -1.09 -0.98 115.11 120.35 3jrl h GLN 495 Ca 0.17 -0.18 -0.03 0.00 0.06 0.00 0.00 58.65 58.67 3jrl h GLN 495 Cb 0.43 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 28.11 3jrl h GLN 495 CO 0.01 0.72 0.34 1.98 -0.67 0.00 0.00 178.83 181.21 3jrl h MET 496 N 0.58 1.05 0.00 1.46 4.05 -0.93 -2.07 114.93 119.08 3jrl h MET 496 Ca 0.11 -0.16 -0.18 0.00 -0.28 0.00 0.00 59.70 59.19 3jrl h MET 496 Cb 0.50 -0.19 -0.02 0.00 -0.80 0.00 0.00 31.60 31.10 3jrl h MET 496 CO 0.03 0.83 -0.83 -0.39 0.23 0.00 0.00 176.91 176.78 3jrl h VAL 497 N 1.02 1.55 0.00 -5.77 -1.51 -1.07 -3.06 116.25 107.40 3jrl h VAL 497 Ca 0.25 -2.70 0.00 0.00 -1.23 0.00 0.00 66.70 63.02 3jrl h VAL 497 Cb 0.13 2.47 0.00 0.00 -2.13 0.00 0.00 31.29 31.77 3jrl h VAL 497 CO -0.03 0.78 0.00 0.03 -1.23 0.00 0.00 177.57 177.12 3jrl h ARG 498 N 0.04 0.00 -0.00 5.19 3.08 -0.75 -1.30 114.38 120.63 3jrl h ARG 498 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.03 3jrl h ARG 498 Cb 1.45 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.50 3jrl h ARG 498 CO 0.11 0.00 -0.02 -1.13 -1.07 0.00 0.00 179.97 177.87 3jrl n SER 499 N -2.65 0.32 -0.00 7.04 3.41 -0.82 -3.38 113.62 117.55 3jrl n SER 499 Ca 0.01 -0.91 0.01 0.00 -0.26 0.00 0.00 58.87 57.72 3jrl n SER 499 Cb 0.23 -0.05 -0.02 0.00 -0.26 0.00 0.00 64.21 64.11 3jrl n SER 499 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3jrl n GLN 500 N -0.83 2.83 -3.34 4.33 6.02 -0.53 -4.97 117.38 120.89 3jrl n GLN 500 Ca 0.20 -0.01 0.02 0.00 -0.01 0.00 0.00 57.00 57.20 3jrl n GLN 500 Cb 0.19 -0.87 -0.03 0.00 1.02 0.00 0.00 30.24 30.55 3jrl n GLN 500 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 3jrl s ARG 501 N -1.78 0.35 0.48 -1.09 3.52 -1.00 -4.59 118.95 114.84 3jrl s ARG 501 Ca -0.00 0.78 -0.22 0.00 -0.13 0.00 0.00 55.73 56.16 3jrl s ARG 501 Cb 0.02 0.46 -0.07 0.00 -1.56 0.00 0.00 34.95 33.80 3jrl s ARG 501 CO 0.12 -0.21 1.15 -1.54 -0.81 0.00 0.00 175.30 174.01 3jrl s SER 502 N 2.68 6.05 0.00 -2.12 1.04 -1.23 -3.83 113.70 116.29 3jrl s SER 502 Ca 0.01 2.25 0.00 0.00 0.48 0.00 0.00 55.95 58.69 3jrl s SER 502 Cb -0.09 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.44 3jrl s SER 502 CO -0.17 -1.00 0.00 0.61 0.98 0.00 0.00 173.24 173.67 3jrl n GLY 503 N 0.34 1.60 3.66 7.32 0.00 -1.26 -4.94 105.19 111.91 3jrl n GLY 503 Ca 0.09 0.00 -0.55 0.00 0.00 0.00 0.00 46.02 45.56 3jrl n GLY 503 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3jrl n MET 504 N -2.00 1.18 -1.79 1.61 0.00 -1.25 -3.72 117.12 111.14 3jrl n MET 504 Ca 0.00 0.43 -0.02 0.00 0.00 0.00 0.00 57.70 58.11 3jrl n MET 504 Cb 0.00 -2.10 -0.01 0.00 0.00 0.00 0.00 33.22 31.11 3jrl n MET 504 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 3jrl n VAL 505 N 3.74 -6.20 -0.05 2.03 0.31 0.62 -4.91 118.33 113.87 3jrl n VAL 505 Ca 0.23 0.94 0.01 0.00 -0.01 0.00 0.00 64.34 65.52 3jrl n VAL 505 Cb 0.16 -4.43 -0.16 0.00 -0.91 0.00 0.00 33.84 28.49 3jrl n VAL 505 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3jrl n GLN 506 N 0.57 0.67 -4.54 5.55 6.02 -1.24 -4.95 117.38 119.46 3jrl n GLN 506 Ca -0.12 -0.11 -0.26 0.00 -0.01 0.00 0.00 57.00 56.50 3jrl n GLN 506 Cb 0.19 -1.52 -0.10 0.00 1.02 0.00 0.00 30.24 29.82 3jrl n GLN 506 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 3jrl s THR 507 N -3.04 2.23 0.23 5.09 -4.23 -1.26 -5.03 115.64 109.63 3jrl s THR 507 Ca -0.09 -2.22 -0.05 0.00 -1.18 0.00 0.00 61.69 58.16 3jrl s THR 507 Cb 0.10 -2.62 0.09 0.00 1.34 0.00 0.00 72.50 71.41 3jrl s THR 507 CO 0.87 -0.22 1.70 -0.08 -0.54 0.00 0.00 174.62 176.36 3jrl h GLU 508 N 2.05 0.90 -0.46 3.99 4.81 -1.98 -1.20 114.58 122.68 3jrl h GLU 508 Ca -0.42 -0.27 -0.01 0.00 -0.13 0.00 0.00 59.36 58.53 3jrl h GLU 508 Cb 1.25 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.52 3jrl h GLU 508 CO 0.70 0.91 0.23 0.00 -0.73 0.00 0.00 179.01 180.12 3jrl h ALA 509 N 1.14 0.59 -0.30 2.92 0.00 -1.98 0.63 119.26 122.26 3jrl h ALA 509 Ca 0.15 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3jrl h ALA 509 Cb 0.52 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3jrl h ALA 509 CO 0.03 0.14 0.12 1.96 0.00 0.00 0.00 179.25 181.50 3jrl h GLN 510 N 0.60 0.46 -0.36 0.00 4.20 -1.92 0.22 115.11 118.31 3jrl h GLN 510 Ca 0.16 -0.08 0.06 0.00 0.06 0.00 0.00 58.65 58.84 3jrl h GLN 510 Cb 0.10 -0.07 -0.05 0.00 0.30 0.00 0.00 27.48 27.75 3jrl h GLN 510 CO -0.02 0.47 0.05 -0.92 -0.67 0.00 0.00 178.83 177.74 3jrl h TYR 511 N 0.34 0.07 0.00 2.96 3.20 -0.89 -1.33 116.97 121.32 3jrl h TYR 511 Ca 0.10 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.91 3jrl h TYR 511 Cb 0.19 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.47 3jrl h TYR 511 CO -0.00 -0.01 -0.41 0.00 -1.64 0.00 0.00 178.16 176.09 3jrl h ARG 512 N 0.16 0.00 -0.49 1.82 3.08 -0.67 -2.85 114.38 115.43 3jrl h ARG 512 Ca 0.17 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.16 3jrl h ARG 512 Cb 0.21 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.24 3jrl h ARG 512 CO -0.25 0.41 0.05 0.35 -1.07 0.00 0.00 179.97 179.47 3jrl h PHE 513 N 0.00 0.81 -0.74 3.04 3.57 0.49 -1.27 116.94 122.84 3jrl h PHE 513 Ca -0.00 -0.09 -0.05 0.00 3.53 0.00 0.00 57.97 61.35 3jrl h PHE 513 Cb 0.94 -0.23 -0.03 0.00 2.79 0.00 0.00 35.95 39.42 3jrl h PHE 513 CO 0.00 0.72 0.26 0.82 -2.23 0.00 0.00 178.31 177.89 3jrl h ILE 514 N 0.74 1.26 -0.09 1.41 2.04 -1.07 -0.08 117.51 121.70 3jrl h ILE 514 Ca 0.15 -0.85 -0.02 0.00 1.00 0.00 0.00 64.86 65.14 3jrl h ILE 514 Cb 0.37 0.40 -0.00 0.00 -0.74 0.00 0.00 36.82 36.85 3jrl h ILE 514 CO 0.01 0.34 -0.01 1.88 0.00 0.00 0.00 178.15 180.37 3jrl h TYR 515 N 1.09 0.19 -0.64 1.37 0.05 -1.41 -1.79 116.97 115.84 3jrl h TYR 515 Ca 0.24 -0.04 0.05 0.00 0.05 0.00 0.00 58.73 59.04 3jrl h TYR 515 Cb 0.26 -0.05 -0.05 0.00 1.01 0.00 0.00 36.73 37.90 3jrl h TYR 515 CO 0.02 0.45 0.35 1.98 -1.05 0.00 0.00 178.16 179.91 3jrl h MET 516 N -0.12 0.64 -0.31 4.88 4.05 -1.05 -2.24 114.93 120.78 3jrl h MET 516 Ca 0.03 -0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.41 3jrl h MET 516 Cb 0.38 -0.14 -0.02 0.00 -0.80 0.00 0.00 31.60 31.02 3jrl h MET 516 CO 0.01 0.42 0.20 0.00 0.23 0.00 0.00 176.91 177.76 3jrl h ALA 517 N 1.33 0.39 -0.25 0.39 0.00 -0.90 -0.66 119.26 119.55 3jrl h ALA 517 Ca 0.28 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 3jrl h ALA 517 Cb 0.17 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3jrl h ALA 517 CO -0.17 -0.13 0.14 0.28 0.00 0.00 0.00 179.25 179.37 3jrl h VAL 518 N 0.41 1.11 -0.62 0.00 2.07 -1.06 -1.16 116.25 117.00 3jrl h VAL 518 Ca 0.11 -0.29 -0.06 0.00 0.82 0.00 0.00 66.70 67.29 3jrl h VAL 518 Cb -0.02 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 30.56 3jrl h VAL 518 CO -0.02 0.11 0.15 -0.61 0.02 0.00 0.00 177.57 177.22 3jrl h GLN 519 N 0.31 0.96 -0.53 1.57 5.75 -1.28 -0.63 115.11 121.25 3jrl h GLN 519 Ca 0.09 -0.21 -0.00 0.00 -0.15 0.00 0.00 58.65 58.38 3jrl h GLN 519 Cb 0.05 -0.14 -0.03 0.00 1.07 0.00 0.00 27.48 28.44 3jrl h GLN 519 CO -0.02 0.85 0.32 1.25 -2.65 0.00 0.00 178.83 178.59 3jrl h HIS 520 N 0.92 0.70 -0.53 3.99 2.76 -0.87 -0.13 115.15 121.99 3jrl h HIS 520 Ca 0.20 -0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.35 3jrl h HIS 520 Cb 0.32 -0.23 -0.02 0.00 1.55 0.00 0.00 27.41 29.03 3jrl h HIS 520 CO 0.02 0.48 0.27 -0.92 -1.30 0.00 0.00 177.93 176.48 3jrl h TYR 521 N 0.71 0.75 -0.30 5.26 3.20 -0.71 -0.72 116.97 125.16 3jrl h TYR 521 Ca 0.19 -0.03 0.01 0.00 3.14 0.00 0.00 58.73 62.05 3jrl h TYR 521 Cb -0.02 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 38.00 3jrl h TYR 521 CO -0.03 0.57 0.17 0.82 -1.64 0.00 0.00 178.16 178.05 3jrl h ILE 522 N 0.71 1.03 -0.33 1.81 2.04 -0.67 -2.14 117.51 119.95 3jrl h ILE 522 Ca 0.18 -0.12 -0.03 0.00 1.00 0.00 0.00 64.86 65.89 3jrl h ILE 522 Cb 0.08 0.64 -0.02 0.00 -0.74 0.00 0.00 36.82 36.79 3jrl h ILE 522 CO -0.03 0.06 0.06 -0.33 0.00 0.00 0.00 178.15 177.92 3jrl h GLU 523 N 0.36 0.49 -0.24 2.37 5.08 -0.66 -2.40 114.58 119.58 3jrl h GLU 523 Ca 0.12 -0.08 -0.05 0.00 -1.00 0.00 0.00 59.36 58.35 3jrl h GLU 523 Cb 0.00 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 3jrl h GLU 523 CO -0.06 0.47 -0.03 1.15 -1.00 0.00 0.00 179.01 179.54 3jrl h THR 524 N 0.48 1.27 -0.84 1.13 2.02 -0.73 -3.20 112.91 113.04 3jrl h THR 524 Ca 0.11 -1.00 -0.02 0.00 0.77 0.00 0.00 66.41 66.28 3jrl h THR 524 Cb 0.22 1.45 -0.04 0.00 -1.74 0.00 0.00 68.15 68.04 3jrl h THR 524 CO -0.00 0.31 0.47 -0.07 0.37 0.00 0.00 175.52 176.59 3jrl h LEU 525 N 0.19 1.05 -0.37 2.58 3.38 -1.12 -1.61 115.31 119.42 3jrl h LEU 525 Ca 0.06 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3jrl h LEU 525 Cb 0.48 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.96 3jrl h LEU 525 CO 0.02 0.84 0.00 0.00 0.09 0.00 0.00 178.44 179.39 3jrl n GLN 526 N -4.38 0.17 -0.75 1.13 6.02 -0.93 -5.13 117.38 113.50 3jrl n GLN 526 Ca 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.07 3jrl n GLN 526 Cb 0.09 -1.03 0.00 0.00 1.02 0.00 0.00 30.24 30.32 3jrl n GLN 526 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59