#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nf2 s TYR 302 N 0.00 3.71 0.00 2.03 2.02 -0.63 -4.45 117.35 120.03 1nf2 s TYR 302 Ca 0.00 0.92 0.00 0.00 -0.37 0.00 0.00 57.07 57.62 1nf2 s TYR 302 Cb 0.00 -2.23 0.00 0.00 -0.40 0.00 0.00 41.96 39.33 1nf2 s TYR 302 CO 0.00 0.65 0.04 0.54 -1.57 0.00 0.00 175.55 175.22 1nf2 n ARG 303 N 1.80 0.68 -4.12 -0.62 1.74 -0.35 -4.26 116.66 111.53 1nf2 n ARG 303 Ca -0.15 -0.04 -0.30 0.00 -0.77 0.00 0.00 57.85 56.59 1nf2 n ARG 303 Cb 0.53 -0.32 -0.16 0.00 -1.02 0.00 0.00 32.46 31.48 1nf2 n ARG 303 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1nf2 s VAL 304 N -0.11 1.58 -0.23 1.55 1.01 -0.50 -1.86 120.40 121.84 1nf2 s VAL 304 Ca 0.00 -0.65 -0.01 0.00 0.00 0.00 0.00 61.98 61.32 1nf2 s VAL 304 Cb 0.00 -1.47 0.02 0.00 0.00 0.00 0.00 36.38 34.93 1nf2 s VAL 304 CO 0.00 0.46 -0.10 -0.36 0.00 0.00 0.00 175.10 175.10 1nf2 s PHE 305 N 1.37 3.00 -0.19 5.22 0.08 -0.29 -0.30 117.98 126.87 1nf2 s PHE 305 Ca 0.03 -1.58 -0.05 0.00 0.12 0.00 0.00 56.93 55.44 1nf2 s PHE 305 Cb -0.13 -2.02 -0.03 0.00 -0.57 0.00 0.00 43.02 40.27 1nf2 s PHE 305 CO -0.09 -0.74 0.01 0.08 -0.10 0.00 0.00 175.22 174.38 1nf2 s VAL 306 N 1.31 4.09 -0.08 -0.44 1.01 0.86 -0.74 120.40 126.41 1nf2 s VAL 306 Ca 0.01 -0.27 0.04 0.00 0.00 0.00 0.00 61.98 61.76 1nf2 s VAL 306 Cb -0.16 -2.84 -0.00 0.00 0.00 0.00 0.00 36.38 33.38 1nf2 s VAL 306 CO -0.06 0.44 -0.22 -0.36 0.00 0.00 0.00 175.10 174.90 1nf2 s PHE 307 N 0.81 2.34 0.46 5.22 0.08 0.83 -1.06 117.98 126.64 1nf2 s PHE 307 Ca 0.01 -0.89 -0.15 0.00 0.12 0.00 0.00 56.93 56.02 1nf2 s PHE 307 Cb -0.14 -1.57 -0.08 0.00 -0.57 0.00 0.00 43.02 40.66 1nf2 s PHE 307 CO 0.02 -0.35 0.90 0.34 -0.10 0.00 0.00 175.22 176.03 1nf2 s ASP 308 N 0.28 6.63 0.00 1.36 3.68 -1.10 -0.82 116.67 126.71 1nf2 s ASP 308 Ca -0.15 1.43 0.00 0.00 2.13 0.00 0.00 52.55 55.96 1nf2 s ASP 308 Cb -0.17 -2.45 0.00 0.00 -1.45 0.00 0.00 42.92 38.86 1nf2 s ASP 308 CO 0.07 -0.48 0.00 0.18 0.13 0.00 0.00 175.17 175.07 1nf2 n LEU 309 N -1.31 2.09 -4.59 -1.34 4.32 -1.19 -2.81 117.00 112.17 1nf2 n LEU 309 Ca 0.05 0.00 -0.46 0.00 -0.02 0.00 0.00 56.01 55.58 1nf2 n LEU 309 Cb 0.54 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 42.31 1nf2 n LEU 309 CO 0.45 0.00 0.69 0.47 -1.22 0.00 0.00 177.39 177.78 1nf2 n ASP 310 N -0.77 1.50 0.00 -1.43 8.00 -1.26 -1.59 116.55 121.01 1nf2 n ASP 310 Ca 0.00 1.16 0.00 0.00 0.71 0.00 0.00 54.79 56.66 1nf2 n ASP 310 Cb 0.00 -1.28 0.00 0.00 -0.02 0.00 0.00 41.12 39.82 1nf2 n ASP 310 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1nf2 n GLY 311 N 1.68 0.00 0.93 0.44 0.00 -1.24 -4.68 105.19 102.32 1nf2 n GLY 311 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1nf2 n GLY 311 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1nf2 n THR 312 N -1.99 0.00 0.01 2.61 -1.04 -0.62 -4.54 114.28 108.71 1nf2 n THR 312 Ca 0.00 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 61.90 1nf2 n THR 312 Cb 0.39 -0.54 -0.14 0.00 -1.82 0.00 0.00 70.33 68.23 1nf2 n THR 312 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 1nf2 h LEU 313 N 0.00 0.11 -9.54 -4.42 6.46 -1.13 -3.42 115.31 103.37 1nf2 h LEU 313 Ca 0.00 -0.19 -0.58 0.00 -0.12 0.00 0.00 57.88 56.99 1nf2 h LEU 313 Cb 0.00 -0.04 -0.06 0.00 -0.73 0.00 0.00 40.66 39.84 1nf2 h LEU 313 CO 0.00 1.17 -0.09 -0.76 -0.62 0.00 0.00 178.44 178.14 1nf2 s LEU 314 N -6.46 4.41 0.94 2.25 1.43 -0.86 -4.47 118.68 115.92 1nf2 s LEU 314 Ca -0.06 1.05 -0.15 0.00 -1.03 0.00 0.00 54.13 53.94 1nf2 s LEU 314 Cb 0.08 -2.79 0.19 0.00 0.03 0.00 0.00 46.19 43.69 1nf2 s LEU 314 CO 0.82 0.15 1.29 0.54 0.23 0.00 0.00 176.35 179.39 1nf2 s ASN 315 N -0.33 3.29 0.00 2.29 6.03 0.88 -3.71 114.94 123.39 1nf2 s ASN 315 Ca 0.28 0.27 0.06 0.00 -1.03 0.00 0.00 52.86 52.44 1nf2 s ASN 315 Cb -0.17 -0.36 0.35 0.00 -3.03 0.00 0.00 41.25 38.03 1nf2 s ASN 315 CO 0.15 -2.62 0.78 0.47 -2.03 0.00 0.00 177.10 173.85 1nf2 n ASP 316 N -3.68 0.00 -0.84 3.54 8.00 -1.26 -0.10 116.55 122.21 1nf2 n ASP 316 Ca 0.15 -0.70 0.07 0.00 0.71 0.00 0.00 54.79 55.02 1nf2 n ASP 316 Cb 0.60 0.00 0.22 0.00 -0.02 0.00 0.00 41.12 41.91 1nf2 n ASP 316 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1nf2 n ASN 317 N -0.71 3.51 -3.65 -2.24 5.15 -1.26 -4.96 115.26 111.10 1nf2 n ASN 317 Ca 0.04 -2.47 -0.27 0.00 -0.60 0.00 0.00 54.58 51.29 1nf2 n ASN 317 Cb 0.02 -0.39 0.04 0.00 -0.53 0.00 0.00 39.78 38.91 1nf2 n ASN 317 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1nf2 n LEU 318 N 0.15 -2.64 -4.21 1.20 4.77 0.86 -5.00 117.00 112.12 1nf2 n LEU 318 Ca 0.17 -0.61 -0.12 0.00 -0.03 0.00 0.00 56.01 55.42 1nf2 n LEU 318 Cb 0.67 -2.68 -0.10 0.00 -2.33 0.00 0.00 43.42 38.98 1nf2 n LEU 318 CO 0.13 0.44 -0.30 -1.83 -1.33 0.00 0.00 177.39 174.50 1nf2 s GLU 319 N -6.36 1.09 -0.21 3.23 -1.05 -1.25 -4.84 118.70 109.32 1nf2 s GLU 319 Ca 0.57 -1.54 -0.07 0.00 -0.15 0.00 0.00 54.97 53.78 1nf2 s GLU 319 Cb -0.28 -0.03 -0.04 0.00 -0.44 0.00 0.00 34.13 33.35 1nf2 s GLU 319 CO 0.70 -0.22 0.07 0.42 0.95 0.00 0.00 175.26 177.18 1nf2 s ILE 320 N -3.86 4.66 0.82 1.83 1.01 -1.26 -0.09 121.20 124.31 1nf2 s ILE 320 Ca 0.27 -0.07 -0.13 0.00 0.00 0.00 0.00 60.65 60.72 1nf2 s ILE 320 Cb 0.07 -3.13 0.08 0.00 0.01 0.00 0.00 42.46 39.50 1nf2 s ILE 320 CO 0.05 0.41 1.12 -1.54 0.00 0.00 0.00 174.94 174.99 1nf2 n SER 321 N 4.01 0.68 -0.01 3.58 3.41 -1.26 -4.79 113.62 119.24 1nf2 n SER 321 Ca -0.16 0.55 0.01 0.00 -0.26 0.00 0.00 58.87 59.01 1nf2 n SER 321 Cb 0.52 -1.48 0.32 0.00 -0.26 0.00 0.00 64.21 63.31 1nf2 n SER 321 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1nf2 h GLU 322 N -1.03 0.54 0.75 4.33 4.39 -1.98 -1.40 114.58 120.18 1nf2 h GLU 322 Ca -0.46 -0.10 -0.04 0.00 0.34 0.00 0.00 59.36 59.11 1nf2 h GLU 322 Cb 1.30 -0.09 0.01 0.00 -0.10 0.00 0.00 28.75 29.87 1nf2 h GLU 322 CO 0.45 0.52 -0.36 -0.22 -1.16 0.00 0.00 179.01 178.24 1nf2 h LYS 323 N 0.53 -0.97 -0.98 2.33 3.64 -1.99 -0.22 116.57 118.91 1nf2 h LYS 323 Ca 0.12 0.07 0.12 0.00 -1.27 0.00 0.00 60.65 59.69 1nf2 h LYS 323 Cb 0.25 0.22 -0.08 0.00 -0.41 0.00 0.00 32.23 32.20 1nf2 h LYS 323 CO 0.00 -0.65 0.60 -0.44 -2.27 0.00 0.00 179.45 176.70 1nf2 h ASP 324 N -1.05 0.88 -0.52 4.20 3.32 -1.91 -1.35 116.42 119.99 1nf2 h ASP 324 Ca -0.10 0.05 -0.01 0.00 0.02 0.00 0.00 57.03 56.99 1nf2 h ASP 324 Cb 0.77 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 40.18 1nf2 h ASP 324 CO 0.17 0.46 0.30 -0.09 -1.72 0.00 0.00 179.24 178.36 1nf2 h ARG 325 N 0.95 0.72 -0.41 3.56 2.43 -1.10 -1.51 114.38 119.02 1nf2 h ARG 325 Ca 0.49 -0.08 -0.04 0.00 -0.81 0.00 0.00 59.98 59.54 1nf2 h ARG 325 Cb 0.50 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.88 1nf2 h ARG 325 CO -0.27 0.54 0.09 0.00 -1.51 0.00 0.00 179.97 178.83 1nf2 h ARG 326 N 0.70 0.67 -0.54 0.20 3.08 -0.15 -1.55 114.38 116.78 1nf2 h ARG 326 Ca 0.18 -0.16 -0.09 0.00 0.07 0.00 0.00 59.98 59.98 1nf2 h ARG 326 Cb 0.03 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 29.97 1nf2 h ARG 326 CO -0.03 0.69 -0.01 -0.91 -1.07 0.00 0.00 179.97 178.63 1nf2 h ASN 327 N 0.53 0.90 -0.06 7.04 2.35 -1.11 -1.69 115.58 123.54 1nf2 h ASN 327 Ca 0.13 -0.24 -0.15 0.00 -0.55 0.00 0.00 56.30 55.48 1nf2 h ASN 327 Cb 0.33 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.45 1nf2 h ASN 327 CO 0.00 0.97 -0.48 0.40 -1.65 0.00 0.00 177.43 176.67 1nf2 h ILE 328 N 0.85 1.31 -0.59 2.81 2.04 -1.23 -2.36 117.51 120.34 1nf2 h ILE 328 Ca 0.16 -1.68 0.03 0.00 1.00 0.00 0.00 64.86 64.36 1nf2 h ILE 328 Cb 0.52 1.64 -0.04 0.00 -0.74 0.00 0.00 36.82 38.20 1nf2 h ILE 328 CO 0.03 0.53 0.35 -0.33 0.00 0.00 0.00 178.15 178.73 1nf2 h GLU 329 N 0.49 0.67 0.18 2.37 4.39 -0.97 -1.89 114.58 119.82 1nf2 h GLU 329 Ca 0.03 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 1nf2 h GLU 329 Cb 1.01 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.51 1nf2 h GLU 329 CO 0.09 0.44 -0.09 0.87 -1.16 0.00 0.00 179.01 179.17 1nf2 h LYS 330 N 0.69 -0.24 -0.38 2.33 1.57 -1.12 -3.03 116.57 116.39 1nf2 h LYS 330 Ca 0.24 0.02 0.07 0.00 -1.87 0.00 0.00 60.65 59.11 1nf2 h LYS 330 Cb 0.04 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 1nf2 h LYS 330 CO -0.11 -0.08 0.26 -0.07 -0.57 0.00 0.00 179.45 178.88 1nf2 h LEU 331 N -0.34 0.17 -0.59 2.94 3.38 -1.20 -1.40 115.31 118.27 1nf2 h LEU 331 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1nf2 h LEU 331 Cb 0.27 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1nf2 h LEU 331 CO 0.04 0.11 0.00 -1.54 0.09 0.00 0.00 178.44 177.14 1nf2 n SER 332 N -4.47 0.56 0.25 -0.43 3.41 -0.73 -1.56 113.62 110.66 1nf2 n SER 332 Ca 0.05 0.64 -0.16 0.00 -0.26 0.00 0.00 58.87 59.14 1nf2 n SER 332 Cb 0.32 -0.76 -0.08 0.00 -0.26 0.00 0.00 64.21 63.43 1nf2 n SER 332 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1nf2 h ARG 333 N 0.00 -0.78 0.00 4.33 9.65 -1.30 -3.37 114.38 122.91 1nf2 h ARG 333 Ca 0.00 0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.93 1nf2 h ARG 333 Cb 0.35 0.18 0.00 0.00 -1.39 0.00 0.00 29.97 29.10 1nf2 h ARG 333 CO 0.00 -0.52 0.00 1.17 2.80 0.00 0.00 179.97 183.42 1nf2 n LYS 334 N -5.49 3.74 -3.78 0.20 4.81 -1.24 -5.08 118.16 111.32 1nf2 n LYS 334 Ca -0.10 -0.15 -0.24 0.00 -0.87 0.00 0.00 58.31 56.94 1nf2 n LYS 334 Cb 0.39 -0.62 -0.02 0.00 0.02 0.00 0.00 35.03 34.80 1nf2 n LYS 334 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1nf2 s TYR 336 N -2.37 3.29 -0.07 0.00 2.02 -0.78 -4.42 117.35 115.02 1nf2 s TYR 336 Ca 0.14 0.14 0.05 0.00 -0.37 0.00 0.00 57.07 57.02 1nf2 s TYR 336 Cb -0.01 -2.06 -0.01 0.00 -0.40 0.00 0.00 41.96 39.48 1nf2 s TYR 336 CO 0.09 0.23 -0.22 0.08 -1.57 0.00 0.00 175.55 174.15 1nf2 s VAL 337 N 0.20 2.26 -0.04 0.71 1.01 -1.26 -1.14 120.40 122.14 1nf2 s VAL 337 Ca 0.05 -0.98 0.03 0.00 0.00 0.00 0.00 61.98 61.08 1nf2 s VAL 337 Cb -0.12 -1.85 0.01 0.00 0.00 0.00 0.00 36.38 34.41 1nf2 s VAL 337 CO 0.00 0.56 -0.10 -0.69 0.00 0.00 0.00 175.10 174.87 1nf2 s VAL 338 N -0.06 0.91 -0.11 2.92 1.01 0.09 -3.86 120.40 121.31 1nf2 s VAL 338 Ca -0.06 -0.41 -0.02 0.00 0.00 0.00 0.00 61.98 61.49 1nf2 s VAL 338 Cb -0.15 -0.82 -0.03 0.00 0.00 0.00 0.00 36.38 35.39 1nf2 s VAL 338 CO 0.05 0.29 -0.03 -0.36 0.00 0.00 0.00 175.10 175.04 1nf2 s PHE 339 N 0.30 3.06 -0.07 5.22 0.40 -0.93 -0.12 117.98 125.83 1nf2 s PHE 339 Ca -0.06 -0.03 0.01 0.00 -0.60 0.00 0.00 56.93 56.25 1nf2 s PHE 339 Cb -0.11 -1.84 0.02 0.00 0.51 0.00 0.00 43.02 41.60 1nf2 s PHE 339 CO 0.01 0.24 -0.08 0.00 0.70 0.00 0.00 175.22 176.09 1nf2 s ALA 340 N -0.35 1.06 0.16 5.36 0.00 -0.00 -0.76 121.76 127.22 1nf2 s ALA 340 Ca 0.06 -0.32 -0.06 0.00 0.00 0.00 0.00 51.96 51.64 1nf2 s ALA 340 Cb -0.12 -0.64 -0.02 0.00 0.00 0.00 0.00 23.12 22.34 1nf2 s ALA 340 CO 0.02 -0.12 0.21 0.45 0.00 0.00 0.00 175.76 176.31 1nf2 s SER 341 N 1.15 0.13 0.03 0.00 0.15 0.54 -3.14 113.70 112.56 1nf2 s SER 341 Ca -0.06 -1.03 0.24 0.00 0.70 0.00 0.00 55.95 55.79 1nf2 s SER 341 Cb -0.14 0.39 0.29 0.00 -1.71 0.00 0.00 66.02 64.85 1nf2 s SER 341 CO -0.01 -0.85 1.25 0.61 1.20 0.00 0.00 173.24 175.44 1nf2 n GLY 342 N -0.19 -1.24 3.53 9.45 0.00 -1.26 -1.53 105.19 113.95 1nf2 n GLY 342 Ca -0.06 -0.37 -0.30 0.00 0.00 0.00 0.00 46.02 45.30 1nf2 n GLY 342 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1nf2 s ARG 343 N -3.08 -1.28 0.76 1.61 0.52 -1.26 -3.76 118.95 112.45 1nf2 s ARG 343 Ca 0.08 0.21 -0.11 0.00 -0.52 0.00 0.00 55.73 55.39 1nf2 s ARG 343 Cb 0.16 -1.56 0.05 0.00 0.52 0.00 0.00 34.95 34.11 1nf2 s ARG 343 CO 0.75 -3.81 1.08 -1.64 0.02 0.00 0.00 175.30 171.70 1nf2 s MET 344 N -5.11 2.42 0.07 3.54 -1.94 -1.26 -0.84 119.30 116.18 1nf2 s MET 344 Ca 0.69 1.03 -0.26 0.00 -1.71 0.00 0.00 55.69 55.44 1nf2 s MET 344 Cb -0.14 -1.92 -0.17 0.00 2.01 0.00 0.00 34.83 34.61 1nf2 s MET 344 CO 0.58 -1.49 1.65 1.25 -0.01 0.00 0.00 175.02 177.00 1nf2 h LEU 345 N -1.01 -0.25 -0.81 -0.03 6.46 -1.94 -2.59 115.31 115.14 1nf2 h LEU 345 Ca -0.44 -0.03 0.11 0.00 -0.12 0.00 0.00 57.88 57.40 1nf2 h LEU 345 Cb 1.23 0.07 -0.08 0.00 -0.73 0.00 0.00 40.66 41.14 1nf2 h LEU 345 CO 0.54 -0.14 0.43 1.62 -0.62 0.00 0.00 178.44 180.27 1nf2 h VAL 346 N -0.34 0.82 -0.63 1.05 3.04 -1.93 0.19 116.25 118.45 1nf2 h VAL 346 Ca -0.03 -0.23 -0.05 0.00 -1.01 0.00 0.00 66.70 65.37 1nf2 h VAL 346 Cb 0.26 0.08 -0.03 0.00 -2.01 0.00 0.00 31.29 29.60 1nf2 h VAL 346 CO 0.05 0.12 0.18 0.28 -1.01 0.00 0.00 177.57 177.19 1nf2 h SER 347 N 0.68 0.90 -0.17 3.17 0.02 -1.92 -0.30 113.55 115.93 1nf2 h SER 347 Ca 0.41 -0.16 -0.15 0.00 -0.84 0.00 0.00 61.79 61.05 1nf2 h SER 347 Cb 0.47 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.78 1nf2 h SER 347 CO -0.30 0.85 -0.48 0.74 -1.14 0.00 0.00 176.83 176.50 1nf2 h THR 348 N 0.93 1.33 0.00 -2.27 2.02 -0.90 -3.06 112.91 110.96 1nf2 h THR 348 Ca 0.20 -1.73 -0.07 0.00 0.77 0.00 0.00 66.41 65.58 1nf2 h THR 348 Cb 0.29 1.97 -0.01 0.00 -1.74 0.00 0.00 68.15 68.66 1nf2 h THR 348 CO -0.01 0.54 -0.32 -0.07 0.37 0.00 0.00 175.52 176.03 1nf2 h LEU 349 N 0.29 0.00 -0.55 2.58 3.38 -0.77 -2.69 115.31 117.54 1nf2 h LEU 349 Ca -0.01 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.84 1nf2 h LEU 349 Cb 1.10 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.83 1nf2 h LEU 349 CO 0.10 0.32 -0.16 0.78 0.09 0.00 0.00 178.44 179.57 1nf2 h ASN 350 N 0.00 1.01 -0.52 -0.43 2.35 -1.02 0.74 115.58 117.72 1nf2 h ASN 350 Ca -0.00 -0.36 -0.06 0.00 -0.55 0.00 0.00 56.30 55.33 1nf2 h ASN 350 Cb 0.65 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.71 1nf2 h ASN 350 CO 0.04 1.15 0.11 0.58 -1.65 0.00 0.00 177.43 177.66 1nf2 h VAL 351 N 0.88 1.24 -0.40 2.81 2.07 -1.40 0.24 116.25 121.70 1nf2 h VAL 351 Ca 0.13 -0.91 -0.05 0.00 0.82 0.00 0.00 66.70 66.69 1nf2 h VAL 351 Cb 0.73 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 31.17 1nf2 h VAL 351 CO 0.06 0.34 0.07 -0.33 0.02 0.00 0.00 177.57 177.72 1nf2 h GLU 352 N 0.86 0.66 -0.07 1.57 5.08 -1.15 -2.45 114.58 119.07 1nf2 h GLU 352 Ca 0.18 -0.17 -0.12 0.00 -1.00 0.00 0.00 59.36 58.25 1nf2 h GLU 352 Cb 0.36 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 1nf2 h GLU 352 CO 0.01 0.70 -0.49 0.87 -1.00 0.00 0.00 179.01 179.10 1nf2 h LYS 353 N 0.51 0.18 0.16 2.33 1.57 -0.48 -0.88 116.57 119.96 1nf2 h LYS 353 Ca 0.12 -0.10 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1nf2 h LYS 353 Cb 0.36 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.68 1nf2 h LYS 353 CO 0.01 0.64 -0.08 -0.22 -0.57 0.00 0.00 179.45 179.22 1nf2 h LYS 354 N 0.15 -0.21 0.00 3.15 3.64 -0.28 -3.32 116.57 119.69 1nf2 h LYS 354 Ca 0.01 0.01 -0.23 0.00 -1.27 0.00 0.00 60.65 59.17 1nf2 h LYS 354 Cb 0.92 0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.76 1nf2 h LYS 354 CO 0.07 0.02 -1.35 1.88 -2.27 0.00 0.00 179.45 177.80 1nf2 h TYR 355 N -0.43 0.00 -4.21 1.91 0.05 -1.51 -3.44 116.97 109.34 1nf2 h TYR 355 Ca -0.02 0.00 -0.49 0.00 0.05 0.00 0.00 58.73 58.27 1nf2 h TYR 355 Cb 0.33 0.00 -0.29 0.00 1.01 0.00 0.00 36.73 37.79 1nf2 h TYR 355 CO -0.00 0.86 -0.81 -0.06 -1.05 0.00 0.00 178.16 177.09 1nf2 s PHE 356 N -2.73 1.31 -0.41 4.88 0.40 -0.34 -5.03 117.98 116.07 1nf2 s PHE 356 Ca -0.02 -0.26 -0.04 0.00 -0.60 0.00 0.00 56.93 56.01 1nf2 s PHE 356 Cb 0.09 -0.84 0.06 0.00 0.51 0.00 0.00 43.02 42.84 1nf2 s PHE 356 CO 0.81 -0.01 2.74 1.63 0.70 0.00 0.00 175.22 181.08 1nf2 n LYS 357 N 2.63 2.30 -3.82 0.44 4.01 -1.25 -3.05 118.16 119.42 1nf2 n LYS 357 Ca -0.15 -2.15 -0.08 0.00 -0.51 0.00 0.00 58.31 55.42 1nf2 n LYS 357 Cb 0.55 -2.07 0.01 0.00 -0.51 0.00 0.00 35.03 33.02 1nf2 n LYS 357 CO 0.00 0.00 0.00 -0.98 -1.11 0.00 0.00 177.40 175.31 1nf2 s ARG 358 N -1.55 2.14 0.31 1.97 1.70 -1.26 -5.00 118.95 117.27 1nf2 s ARG 358 Ca 0.56 -1.34 0.10 0.00 -0.47 0.00 0.00 55.73 54.58 1nf2 s ARG 358 Cb 0.36 0.62 -0.05 0.00 -0.57 0.00 0.00 34.95 35.31 1nf2 s ARG 358 CO -0.18 -1.00 -0.04 0.95 -1.08 0.00 0.00 175.30 173.96 1nf2 s THR 359 N -2.65 2.75 0.37 4.99 -4.23 -1.26 -3.40 115.64 112.21 1nf2 s THR 359 Ca 0.14 -2.05 0.05 0.00 -1.18 0.00 0.00 61.69 58.65 1nf2 s THR 359 Cb -0.05 -2.71 -0.03 0.00 1.34 0.00 0.00 72.50 71.05 1nf2 s THR 359 CO 0.10 -0.27 0.17 -0.36 -0.54 0.00 0.00 174.62 173.72 1nf2 s PHE 360 N -2.48 1.75 0.16 3.99 0.08 -1.26 -4.81 117.98 115.41 1nf2 s PHE 360 Ca 0.33 -1.39 -0.32 0.00 0.12 0.00 0.00 56.93 55.67 1nf2 s PHE 360 Cb -0.02 -1.00 -0.12 0.00 -0.57 0.00 0.00 43.02 41.31 1nf2 s PHE 360 CO 0.18 -0.48 1.75 -2.30 -0.10 0.00 0.00 175.22 174.28 1nf2 n PRO 361 N -0.79 2.67 -4.50 0.24 -0.02 -1.25 -4.43 135.00 126.92 1nf2 n PRO 361 Ca -0.02 0.97 -0.20 0.00 -2.02 0.00 0.00 63.50 62.23 1nf2 n PRO 361 Cb 0.64 -2.82 -0.15 0.00 -0.02 0.00 0.00 33.50 31.15 1nf2 n PRO 361 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1nf2 s THR 362 N 1.82 0.92 -0.21 3.45 2.01 0.11 -2.20 115.64 121.55 1nf2 s THR 362 Ca 0.79 -0.53 -0.02 0.00 0.31 0.00 0.00 61.69 62.24 1nf2 s THR 362 Cb -0.53 -0.78 0.01 0.00 0.01 0.00 0.00 72.50 71.21 1nf2 s THR 362 CO 0.36 0.24 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.80 1nf2 s ILE 363 N -0.31 2.86 0.38 1.82 1.01 0.06 0.11 121.20 127.12 1nf2 s ILE 363 Ca 0.04 -0.71 0.05 0.00 0.00 0.00 0.00 60.65 60.03 1nf2 s ILE 363 Cb -0.05 -2.29 -0.06 0.00 0.01 0.00 0.00 42.46 40.07 1nf2 s ILE 363 CO -0.00 0.44 0.04 0.00 0.00 0.00 0.00 174.94 175.41 1nf2 s ALA 364 N 1.39 2.88 -1.45 9.38 0.00 -0.24 -0.34 121.76 133.39 1nf2 s ALA 364 Ca 0.05 -1.92 -0.09 0.00 0.00 0.00 0.00 51.96 50.00 1nf2 s ALA 364 Cb -0.14 0.42 0.04 0.00 0.00 0.00 0.00 23.12 23.45 1nf2 s ALA 364 CO -0.07 -0.21 0.75 0.66 0.00 0.00 0.00 175.76 176.89 1nf2 n TYR 365 N -0.87 -2.13 -2.94 0.00 4.01 -0.02 -2.14 117.16 113.08 1nf2 n TYR 365 Ca -0.05 0.67 -0.22 0.00 -0.16 0.00 0.00 57.90 58.14 1nf2 n TYR 365 Cb 0.67 -4.02 0.02 0.00 -0.31 0.00 0.00 39.34 35.70 1nf2 n TYR 365 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1nf2 n ASN 366 N -2.61 -5.76 0.00 7.72 5.15 -0.58 -2.79 115.26 116.39 1nf2 n ASN 366 Ca -0.03 -0.24 0.00 0.00 -0.60 0.00 0.00 54.58 53.71 1nf2 n ASN 366 Cb 0.57 -4.69 0.00 0.00 -0.53 0.00 0.00 39.78 35.13 1nf2 n ASN 366 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1nf2 n GLY 367 N -1.38 0.67 0.17 8.20 0.00 -0.91 -2.44 105.19 109.50 1nf2 n GLY 367 Ca -0.13 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.84 1nf2 n GLY 367 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nf2 h ALA 368 N 0.00 0.81 -4.40 4.61 0.00 -1.35 -3.41 119.26 115.51 1nf2 h ALA 368 Ca 0.00 -0.56 -0.70 0.00 0.00 0.00 0.00 54.91 53.66 1nf2 h ALA 368 Cb 0.00 -0.08 -0.29 0.00 0.00 0.00 0.00 17.79 17.41 1nf2 h ALA 368 CO 0.00 0.74 -0.87 0.42 0.00 0.00 0.00 179.25 179.54 1nf2 s ILE 369 N -3.73 2.21 -0.09 0.00 1.09 -0.94 -0.50 121.20 119.25 1nf2 s ILE 369 Ca -0.04 -1.04 0.01 0.00 -1.10 0.00 0.00 60.65 58.48 1nf2 s ILE 369 Cb 0.12 -1.79 0.02 0.00 -1.06 0.00 0.00 42.46 39.75 1nf2 s ILE 369 CO 0.80 0.58 -0.11 -0.69 -0.10 0.00 0.00 174.94 175.42 1nf2 s VAL 370 N -0.53 1.16 0.03 2.92 1.01 -0.75 -1.08 120.40 123.15 1nf2 s VAL 370 Ca 0.07 -0.45 0.06 0.00 0.00 0.00 0.00 61.98 61.67 1nf2 s VAL 370 Cb -0.11 -1.09 -0.02 0.00 0.00 0.00 0.00 36.38 35.16 1nf2 s VAL 370 CO 0.00 0.37 -0.18 -0.47 0.00 0.00 0.00 175.10 174.83 1nf2 s TYR 371 N 1.04 1.54 0.05 5.22 6.14 0.29 -1.64 117.35 130.00 1nf2 s TYR 371 Ca -0.07 -0.34 0.09 0.00 0.64 0.00 0.00 57.07 57.39 1nf2 s TYR 371 Cb -0.15 -0.94 -0.03 0.00 0.42 0.00 0.00 41.96 41.27 1nf2 s TYR 371 CO -0.01 0.04 -0.26 -0.51 0.64 0.00 0.00 175.55 175.45 1nf2 s LEU 372 N -0.93 2.17 0.25 6.97 1.43 0.41 0.08 118.68 129.06 1nf2 s LEU 372 Ca 0.05 -0.58 -0.03 0.00 -1.03 0.00 0.00 54.13 52.54 1nf2 s LEU 372 Cb -0.08 -1.25 0.44 0.00 0.03 0.00 0.00 46.19 45.33 1nf2 s LEU 372 CO 0.01 0.25 1.81 -0.65 0.23 0.00 0.00 176.35 177.99 1nf2 h PRO 373 N 4.80 0.77 0.00 1.29 0.11 -1.85 -0.35 132.00 136.76 1nf2 h PRO 373 Ca -0.46 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.59 1nf2 h PRO 373 Cb 1.14 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 32.08 1nf2 h PRO 373 CO 0.44 0.51 -0.24 1.05 -0.21 0.00 0.00 178.00 179.54 1nf2 h GLU 374 N 0.80 0.00 0.00 1.05 9.09 -1.97 -3.38 114.58 120.17 1nf2 h GLU 374 Ca 0.42 0.00 -0.04 0.00 0.05 0.00 0.00 59.36 59.79 1nf2 h GLU 374 Cb 0.42 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.52 1nf2 h GLU 374 CO -0.27 0.16 -0.21 0.93 0.05 0.00 0.00 179.01 179.67 1nf2 h GLU 375 N -1.00 0.00 0.00 1.06 4.39 -1.99 -3.49 114.58 113.55 1nf2 h GLU 375 Ca -0.02 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.68 1nf2 h GLU 375 Cb 0.34 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.99 1nf2 h GLU 375 CO -0.01 0.21 0.00 0.41 -1.16 0.00 0.00 179.01 178.46 1nf2 n GLY 376 N 0.07 0.32 3.67 -3.84 0.00 -0.14 -4.82 105.19 100.45 1nf2 n GLY 376 Ca -0.00 -1.25 -0.43 0.00 0.00 0.00 0.00 46.02 44.35 1nf2 n GLY 376 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nf2 s VAL 377 N 0.00 4.59 -0.28 1.61 1.01 -1.26 -0.45 120.40 125.63 1nf2 s VAL 377 Ca 0.00 1.90 0.10 0.00 0.00 0.00 0.00 61.98 63.98 1nf2 s VAL 377 Cb 0.00 -4.23 -0.13 0.00 0.00 0.00 0.00 36.38 32.02 1nf2 s VAL 377 CO 0.00 -0.11 0.35 2.30 0.00 0.00 0.00 175.10 177.64 1nf2 n ILE 378 N 5.05 0.00 -3.78 2.22 -5.35 -0.65 -4.91 119.36 111.94 1nf2 n ILE 378 Ca 0.11 -0.25 -0.22 0.00 -0.27 0.00 0.00 62.75 62.12 1nf2 n ILE 378 Cb 0.47 0.68 -0.18 0.00 -1.74 0.00 0.00 39.64 38.87 1nf2 n ILE 378 CO 0.00 0.00 0.00 -0.22 -1.76 0.00 0.00 176.55 174.57 1nf2 s LEU 379 N -3.03 0.58 -0.48 7.28 2.96 -1.19 -4.99 118.68 119.81 1nf2 s LEU 379 Ca 0.00 -0.07 0.04 0.00 -0.22 0.00 0.00 54.13 53.89 1nf2 s LEU 379 Cb 0.07 -0.41 0.17 0.00 0.50 0.00 0.00 46.19 46.52 1nf2 s LEU 379 CO 0.43 -0.19 0.37 0.21 -1.32 0.00 0.00 176.35 175.85 1nf2 s ASN 380 N 1.94 2.31 0.06 3.68 3.04 -1.25 -1.81 114.94 122.90 1nf2 s ASN 380 Ca 0.04 -3.23 -0.29 0.00 0.04 0.00 0.00 52.86 49.42 1nf2 s ASN 380 Cb -0.12 -0.73 -0.05 0.00 -1.54 0.00 0.00 41.25 38.81 1nf2 s ASN 380 CO -0.05 -0.15 0.94 -1.61 -3.04 0.00 0.00 177.10 173.19 1nf2 s GLU 381 N -0.27 4.63 0.18 0.43 0.41 0.35 -5.03 118.70 119.39 1nf2 s GLU 381 Ca 0.30 1.39 -0.18 0.00 -0.41 0.00 0.00 54.97 56.08 1nf2 s GLU 381 Cb 0.01 -3.41 0.03 0.00 -1.78 0.00 0.00 34.13 28.98 1nf2 s GLU 381 CO -0.18 0.12 0.51 -1.59 -0.49 0.00 0.00 175.26 173.63 1nf2 s LYS 382 N 0.37 1.32 -0.08 1.61 -2.85 -1.26 -4.74 119.74 114.11 1nf2 s LYS 382 Ca 0.48 -0.81 -0.30 0.00 -1.00 0.00 0.00 55.97 54.34 1nf2 s LYS 382 Cb -0.22 0.52 -0.04 0.00 -2.06 0.00 0.00 37.83 36.03 1nf2 s LYS 382 CO 0.28 -0.55 1.35 0.42 0.10 0.00 0.00 175.35 176.94 1nf2 s ILE 383 N -3.85 4.02 0.72 3.79 1.01 0.69 -4.87 121.20 122.70 1nf2 s ILE 383 Ca 0.07 1.31 -0.15 0.00 0.00 0.00 0.00 60.65 61.88 1nf2 s ILE 383 Cb -0.00 -3.84 0.03 0.00 0.01 0.00 0.00 42.46 38.66 1nf2 s ILE 383 CO -0.05 -0.06 1.19 -2.16 0.00 0.00 0.00 174.94 173.85 1nf2 s PRO 384 N 3.01 2.25 0.23 2.79 0.04 -1.26 -2.18 135.00 139.89 1nf2 s PRO 384 Ca 0.60 1.68 -0.14 0.00 0.04 0.00 0.00 61.00 63.18 1nf2 s PRO 384 Cb -0.27 -1.86 0.29 0.00 0.04 0.00 0.00 34.50 32.70 1nf2 s PRO 384 CO 0.22 -1.73 1.57 -1.35 0.04 0.00 0.00 177.00 175.75 1nf2 h PRO 385 N -0.26 -0.03 -0.28 0.56 0.11 -1.82 0.04 132.00 130.32 1nf2 h PRO 385 Ca -0.47 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.63 1nf2 h PRO 385 Cb 1.28 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.39 1nf2 h PRO 385 CO 0.50 -0.02 0.16 0.93 -0.21 0.00 0.00 178.00 179.36 1nf2 h GLU 386 N -0.04 0.38 -0.30 1.05 4.39 -1.91 0.29 114.58 118.45 1nf2 h GLU 386 Ca 0.36 -0.04 -0.03 0.00 0.34 0.00 0.00 59.36 59.98 1nf2 h GLU 386 Cb 0.61 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.17 1nf2 h GLU 386 CO -0.88 0.32 0.06 0.28 -1.16 0.00 0.00 179.01 177.63 1nf2 h VAL 387 N 0.34 1.23 -0.99 3.13 2.07 -1.76 -1.84 116.25 118.42 1nf2 h VAL 387 Ca 0.10 -0.77 0.01 0.00 0.82 0.00 0.00 66.70 66.86 1nf2 h VAL 387 Cb 0.05 1.16 -0.05 0.00 -1.52 0.00 0.00 31.29 30.93 1nf2 h VAL 387 CO -0.02 0.25 0.66 0.00 0.02 0.00 0.00 177.57 178.48 1nf2 h ALA 388 N 0.89 1.30 -0.36 1.67 0.00 -0.86 -1.14 119.26 120.75 1nf2 h ALA 388 Ca 0.09 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1nf2 h ALA 388 Cb 0.32 -0.40 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1nf2 h ALA 388 CO 0.00 0.65 0.16 -0.22 0.00 0.00 0.00 179.25 179.84 1nf2 h LYS 389 N 1.34 0.52 -0.77 0.00 3.64 -0.76 -1.55 116.57 119.00 1nf2 h LYS 389 Ca 0.37 -0.09 0.04 0.00 -1.27 0.00 0.00 60.65 59.71 1nf2 h LYS 389 Cb -0.15 -0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 31.53 1nf2 h LYS 389 CO -0.08 0.49 0.48 -0.44 -2.27 0.00 0.00 179.45 177.63 1nf2 h ASP 390 N 0.44 0.76 -0.30 4.20 3.45 -0.57 -1.90 116.42 122.50 1nf2 h ASP 390 Ca 0.12 0.01 -0.06 0.00 0.43 0.00 0.00 57.03 57.53 1nf2 h ASP 390 Cb 0.15 -0.15 -0.01 0.00 -0.56 0.00 0.00 39.33 38.76 1nf2 h ASP 390 CO -0.01 0.51 -0.06 0.40 -1.57 0.00 0.00 179.24 178.51 1nf2 h ILE 391 N 0.90 1.28 -0.41 0.35 2.04 -0.98 -1.16 117.51 119.53 1nf2 h ILE 391 Ca 0.32 -1.09 -0.04 0.00 1.00 0.00 0.00 64.86 65.06 1nf2 h ILE 391 Cb 0.09 1.37 -0.02 0.00 -0.74 0.00 0.00 36.82 37.52 1nf2 h ILE 391 CO -0.14 0.35 0.10 0.40 0.00 0.00 0.00 178.15 178.86 1nf2 h ILE 392 N 0.35 1.23 -0.61 -0.67 5.03 -1.12 -1.65 117.51 120.07 1nf2 h ILE 392 Ca 0.08 -0.79 -0.07 0.00 -0.12 0.00 0.00 64.86 63.96 1nf2 h ILE 392 Cb 0.54 0.96 -0.03 0.00 -3.03 0.00 0.00 36.82 35.27 1nf2 h ILE 392 CO 0.03 0.28 0.10 -0.33 -0.68 0.00 0.00 178.15 177.54 1nf2 h GLU 393 N 0.52 0.99 -0.28 2.37 5.08 -1.34 -0.90 114.58 121.02 1nf2 h GLU 393 Ca 0.13 -0.25 -0.07 0.00 -1.00 0.00 0.00 59.36 58.17 1nf2 h GLU 393 Cb 0.31 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 1nf2 h GLU 393 CO 0.00 0.91 -0.11 -0.92 -1.00 0.00 0.00 179.01 177.89 1nf2 h TYR 394 N 0.93 0.51 0.00 4.33 3.20 -1.02 -3.22 116.97 121.69 1nf2 h TYR 394 Ca 0.19 -0.07 0.00 0.00 3.14 0.00 0.00 58.73 61.99 1nf2 h TYR 394 Cb 0.41 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.54 1nf2 h TYR 394 CO 0.03 0.58 -1.08 -0.89 -1.64 0.00 0.00 178.16 175.15 1nf2 n ILE 395 N -4.22 0.34 -0.33 1.81 2.08 -0.64 -4.45 119.36 113.97 1nf2 n ILE 395 Ca 0.01 -0.39 -0.01 0.00 0.56 0.00 0.00 62.75 62.91 1nf2 n ILE 395 Cb 0.31 -0.07 0.11 0.00 -0.75 0.00 0.00 39.64 39.24 1nf2 n ILE 395 CO 0.00 0.00 0.00 0.11 0.56 0.00 0.00 176.55 177.22 1nf2 h LYS 396 N 0.00 1.09 0.00 0.38 1.57 -1.18 -2.35 116.57 116.08 1nf2 h LYS 396 Ca 0.00 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 1nf2 h LYS 396 Cb 0.87 -0.25 -0.00 0.00 0.08 0.00 0.00 32.23 32.93 1nf2 h LYS 396 CO 0.00 0.72 -0.07 -1.35 -0.57 0.00 0.00 179.45 178.19 1nf2 h PRO 397 N 1.12 0.00 -0.11 3.15 0.11 -1.78 -2.75 132.00 131.74 1nf2 h PRO 397 Ca 0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.46 1nf2 h PRO 397 Cb -0.01 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.10 1nf2 h PRO 397 CO -0.11 0.07 0.00 1.28 -0.21 0.00 0.00 178.00 179.02 1nf2 n LEU 398 N -3.38 0.89 -3.87 2.35 4.32 -0.88 -4.97 117.00 111.46 1nf2 n LEU 398 Ca -0.02 -0.40 -0.32 0.00 -0.02 0.00 0.00 56.01 55.26 1nf2 n LEU 398 Cb 0.22 -0.07 0.01 0.00 -1.62 0.00 0.00 43.42 41.95 1nf2 n LEU 398 CO 0.27 0.20 -0.20 0.59 -1.22 0.00 0.00 177.39 177.03 1nf2 n ASN 399 N -0.14 -4.70 -4.15 -1.43 4.13 -1.04 -4.99 115.26 102.94 1nf2 n ASN 399 Ca 0.12 -1.07 -0.27 0.00 1.68 0.00 0.00 54.58 55.05 1nf2 n ASN 399 Cb 0.19 -1.83 -0.16 0.00 -1.54 0.00 0.00 39.78 36.44 1nf2 n ASN 399 CO 0.00 0.00 0.00 0.68 0.28 0.00 0.00 177.26 178.22 1nf2 s VAL 400 N -3.20 1.54 0.17 2.41 -7.23 -1.26 -5.11 120.40 107.72 1nf2 s VAL 400 Ca 0.19 -0.77 -0.30 0.00 -1.81 0.00 0.00 61.98 59.29 1nf2 s VAL 400 Cb -0.10 -1.33 -0.08 0.00 0.56 0.00 0.00 36.38 35.43 1nf2 s VAL 400 CO 0.92 0.44 1.24 -2.28 -0.31 0.00 0.00 175.10 175.11 1nf2 s HIS 401 N 0.06 3.37 0.08 2.82 2.46 -1.26 -4.96 115.29 117.86 1nf2 s HIS 401 Ca -0.05 1.32 0.02 0.00 0.47 0.00 0.00 55.06 56.82 1nf2 s HIS 401 Cb -0.12 -3.49 -0.03 0.00 -0.13 0.00 0.00 32.58 28.80 1nf2 s HIS 401 CO 0.03 -1.48 -0.07 1.67 -2.47 0.00 0.00 174.74 172.42 1nf2 s TRP 402 N 0.19 0.82 0.04 3.88 1.48 -1.26 -2.24 118.94 121.85 1nf2 s TRP 402 Ca 0.55 -0.74 0.02 0.00 -1.06 0.00 0.00 56.10 54.87 1nf2 s TRP 402 Cb -0.34 -0.48 -0.03 0.00 -1.16 0.00 0.00 33.47 31.47 1nf2 s TRP 402 CO 0.36 -0.11 -0.06 1.14 -4.06 0.00 0.00 176.95 174.21 1nf2 s GLN 403 N -2.91 0.52 0.19 3.25 -2.07 -0.46 -4.43 119.66 113.74 1nf2 s GLN 403 Ca 0.03 -0.81 0.10 0.00 -1.82 0.00 0.00 55.36 52.87 1nf2 s GLN 403 Cb -0.01 -0.17 -0.04 0.00 -1.09 0.00 0.00 33.01 31.69 1nf2 s GLN 403 CO -0.02 0.01 -0.21 0.00 -1.32 0.00 0.00 175.29 173.75 1nf2 s ALA 404 N -1.74 2.32 -0.27 2.60 0.00 -0.55 -1.90 121.76 122.22 1nf2 s ALA 404 Ca -0.08 -1.59 0.01 0.00 0.00 0.00 0.00 51.96 50.30 1nf2 s ALA 404 Cb -0.08 -0.27 0.05 0.00 0.00 0.00 0.00 23.12 22.83 1nf2 s ALA 404 CO -0.01 0.34 -0.07 0.71 0.00 0.00 0.00 175.76 176.73 1nf2 s TYR 405 N -1.86 3.21 -0.15 0.00 2.02 -1.09 -0.31 117.35 119.17 1nf2 s TYR 405 Ca 0.19 -2.03 0.00 0.00 -0.37 0.00 0.00 57.07 54.86 1nf2 s TYR 405 Cb -0.07 -2.00 0.03 0.00 -0.40 0.00 0.00 41.96 39.52 1nf2 s TYR 405 CO 0.09 -0.83 -0.10 0.42 -1.57 0.00 0.00 175.55 173.55 1nf2 s ILE 406 N 1.19 1.36 -1.45 2.71 1.01 -0.70 -0.86 121.20 124.46 1nf2 s ILE 406 Ca -0.06 -0.60 -0.08 0.00 0.00 0.00 0.00 60.65 59.92 1nf2 s ILE 406 Cb -0.19 -1.36 0.05 0.00 0.01 0.00 0.00 42.46 40.97 1nf2 s ILE 406 CO -0.04 0.33 0.82 0.47 0.00 0.00 0.00 174.94 176.52 1nf2 n ASP 407 N 4.82 -2.99 -2.54 3.58 8.00 -1.26 -2.13 116.55 124.04 1nf2 n ASP 407 Ca -0.15 -0.83 -0.19 0.00 0.71 0.00 0.00 54.79 54.33 1nf2 n ASP 407 Cb 0.49 -3.80 0.02 0.00 -0.02 0.00 0.00 41.12 37.82 1nf2 n ASP 407 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1nf2 n ASP 408 N -2.92 -5.49 -4.02 -2.24 2.03 -1.26 -5.02 116.55 97.63 1nf2 n ASP 408 Ca -0.11 -0.21 -0.24 0.00 0.52 0.00 0.00 54.79 54.75 1nf2 n ASP 408 Cb 0.59 -4.36 -0.16 0.00 -0.72 0.00 0.00 41.12 36.47 1nf2 n ASP 408 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1nf2 s VAL 409 N -3.06 1.05 -0.13 5.18 1.01 -0.90 -4.85 120.40 118.69 1nf2 s VAL 409 Ca 0.22 -0.45 -0.26 0.00 0.00 0.00 0.00 61.98 61.49 1nf2 s VAL 409 Cb -0.10 -0.96 -0.02 0.00 0.00 0.00 0.00 36.38 35.31 1nf2 s VAL 409 CO 0.27 0.33 0.86 -0.22 0.00 0.00 0.00 175.10 176.34 1nf2 s LEU 410 N 0.57 4.22 0.14 3.92 0.20 -1.26 -1.72 118.68 124.75 1nf2 s LEU 410 Ca -0.12 1.28 0.11 0.00 0.69 0.00 0.00 54.13 56.09 1nf2 s LEU 410 Cb -0.14 -3.30 -0.04 0.00 -0.43 0.00 0.00 46.19 42.27 1nf2 s LEU 410 CO 0.03 -0.37 -0.26 -0.31 -0.29 0.00 0.00 176.35 175.15 1nf2 s TYR 411 N 1.91 2.23 -0.08 5.38 2.02 0.58 -0.79 117.35 128.60 1nf2 s TYR 411 Ca 0.41 -0.38 -0.09 0.00 -0.37 0.00 0.00 57.07 56.63 1nf2 s TYR 411 Cb -0.17 -1.19 0.02 0.00 -0.40 0.00 0.00 41.96 40.22 1nf2 s TYR 411 CO 0.15 0.35 0.25 0.45 -1.57 0.00 0.00 175.55 175.19 1nf2 s SER 412 N -2.17 -0.23 0.17 2.29 0.15 -0.46 -1.49 113.70 111.96 1nf2 s SER 412 Ca 0.14 0.41 -0.10 0.00 0.70 0.00 0.00 55.95 57.10 1nf2 s SER 412 Cb -0.10 0.47 0.05 0.00 -1.71 0.00 0.00 66.02 64.74 1nf2 s SER 412 CO 0.07 -0.15 1.64 -0.33 1.20 0.00 0.00 173.24 175.66 1nf2 h GLU 413 N 5.41 1.00 -5.60 5.44 5.08 -1.78 0.33 114.58 124.47 1nf2 h GLU 413 Ca -0.27 -0.30 -0.46 0.00 -1.00 0.00 0.00 59.36 57.33 1nf2 h GLU 413 Cb 1.19 -0.10 -0.22 0.00 0.50 0.00 0.00 28.75 30.12 1nf2 h GLU 413 CO 0.36 0.98 -0.80 0.15 -1.00 0.00 0.00 179.01 178.70 1nf2 s LYS 414 N -5.08 0.94 -1.22 2.33 1.02 -1.26 -3.67 119.74 112.80 1nf2 s LYS 414 Ca -0.12 -0.99 -0.07 0.00 0.02 0.00 0.00 55.97 54.81 1nf2 s LYS 414 Cb 0.13 -1.02 -0.00 0.00 -0.52 0.00 0.00 37.83 36.41 1nf2 s LYS 414 CO 0.84 0.24 2.76 -3.47 -0.92 0.00 0.00 175.35 174.80 1nf2 n ASP 415 N 1.33 7.90 -3.10 2.83 4.64 -1.26 -4.83 116.55 124.05 1nf2 n ASP 415 Ca -0.20 -2.87 -0.17 0.00 -1.38 0.00 0.00 54.79 50.16 1nf2 n ASP 415 Cb 0.54 -1.43 0.12 0.00 -1.04 0.00 0.00 41.12 39.31 1nf2 n ASP 415 CO 0.00 0.00 0.00 -0.46 -0.82 0.00 0.00 177.20 175.92 1nf2 n ASN 416 N 2.40 -0.09 0.12 1.67 0.23 -1.26 -4.91 115.26 113.42 1nf2 n ASN 416 Ca 0.65 -1.24 -0.02 0.00 -0.53 0.00 0.00 54.58 53.44 1nf2 n ASN 416 Cb 0.34 -0.59 0.15 0.00 -2.08 0.00 0.00 39.78 37.60 1nf2 n ASN 416 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 1nf2 h GLU 417 N 0.00 0.05 0.87 -3.83 3.07 -2.00 -2.95 114.58 109.80 1nf2 h GLU 417 Ca -0.25 -0.04 -0.04 0.00 -0.50 0.00 0.00 59.36 58.53 1nf2 h GLU 417 Cb 0.69 0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.61 1nf2 h GLU 417 CO 0.17 0.66 -0.48 0.93 -1.40 0.00 0.00 179.01 178.89 1nf2 h GLU 418 N 0.04 -1.21 -0.44 2.33 3.07 -1.95 -1.75 114.58 114.67 1nf2 h GLU 418 Ca -0.01 0.08 0.02 0.00 -0.50 0.00 0.00 59.36 58.96 1nf2 h GLU 418 Cb 1.12 0.27 -0.03 0.00 -0.84 0.00 0.00 28.75 29.27 1nf2 h GLU 418 CO 0.08 -0.81 0.25 0.97 -1.40 0.00 0.00 179.01 178.11 1nf2 h ILE 419 N -1.26 1.03 -0.45 3.13 6.09 -1.88 -0.88 117.51 123.28 1nf2 h ILE 419 Ca -0.12 -0.17 0.08 0.00 -1.37 0.00 0.00 64.86 63.28 1nf2 h ILE 419 Cb 0.99 0.48 -0.07 0.00 0.47 0.00 0.00 36.82 38.69 1nf2 h ILE 419 CO 0.15 0.09 0.05 0.11 -3.07 0.00 0.00 178.15 175.48 1nf2 h LYS 420 N 0.50 0.16 -0.63 2.19 1.57 -1.49 0.20 116.57 119.08 1nf2 h LYS 420 Ca 0.18 -0.01 -0.08 0.00 -1.87 0.00 0.00 60.65 58.87 1nf2 h LYS 420 Cb 0.03 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.28 1nf2 h LYS 420 CO -0.09 0.11 0.07 1.03 -0.57 0.00 0.00 179.45 179.99 1nf2 h SER 421 N 0.17 1.01 -0.08 0.86 0.87 -1.00 -2.56 113.55 112.82 1nf2 h SER 421 Ca 0.23 -0.25 -0.01 0.00 -1.23 0.00 0.00 61.79 60.52 1nf2 h SER 421 Cb 0.31 -0.27 -0.00 0.00 -0.44 0.00 0.00 62.40 62.00 1nf2 h SER 421 CO -0.33 1.03 0.01 0.22 -0.53 0.00 0.00 176.83 177.22 1nf2 h TYR 422 N 0.98 0.15 -0.00 2.24 5.03 -0.03 -1.09 116.97 124.24 1nf2 h TYR 422 Ca 0.19 -0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.48 1nf2 h TYR 422 Cb 0.47 -0.04 -0.00 0.00 1.55 0.00 0.00 36.73 38.71 1nf2 h TYR 422 CO 0.03 0.36 0.00 0.00 -1.32 0.00 0.00 178.16 177.24 1nf2 h ALA 423 N 0.77 1.55 0.25 1.82 0.00 -0.61 -2.65 119.26 120.39 1nf2 h ALA 423 Ca 0.02 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1nf2 h ALA 423 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1nf2 h ALA 423 CO 0.00 -0.00 -0.12 -0.09 0.00 0.00 0.00 179.25 179.04 1nf2 h ARG 424 N 0.00 -0.33 0.00 0.00 2.43 -1.02 -0.92 114.38 114.55 1nf2 h ARG 424 Ca 0.00 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1nf2 h ARG 424 Cb 0.01 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 1nf2 h ARG 424 CO -0.00 -0.22 0.06 0.72 -1.51 0.00 0.00 179.97 179.02 1nf2 n HIS 425 N -4.34 0.13 -2.19 2.20 8.25 -0.45 -1.72 115.22 117.10 1nf2 n HIS 425 Ca -0.04 0.07 0.03 0.00 -0.26 0.00 0.00 57.72 57.52 1nf2 n HIS 425 Cb 0.13 -0.56 0.03 0.00 1.12 0.00 0.00 29.99 30.72 1nf2 n HIS 425 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1nf2 n SER 426 N -1.60 0.76 -0.90 0.41 2.88 -1.02 -5.06 113.62 109.09 1nf2 n SER 426 Ca -0.00 -2.19 0.00 0.00 -1.33 0.00 0.00 58.87 55.35 1nf2 n SER 426 Cb 0.07 -0.29 0.00 0.00 -0.75 0.00 0.00 64.21 63.24 1nf2 n SER 426 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1nf2 n ASN 427 N 0.12 0.00 -3.94 -3.46 2.04 -0.43 -4.95 115.26 104.64 1nf2 n ASN 427 Ca 0.05 0.00 -0.09 0.00 -0.44 0.00 0.00 54.58 54.10 1nf2 n ASN 427 Cb 0.94 0.00 -0.10 0.00 -2.53 0.00 0.00 39.78 38.09 1nf2 n ASN 427 CO 0.00 0.00 0.00 0.68 -0.44 0.00 0.00 177.26 177.50 1nf2 s VAL 428 N 0.00 0.12 0.46 3.53 -7.23 -0.73 -5.04 120.40 111.52 1nf2 s VAL 428 Ca 0.00 -1.02 -0.04 0.00 -1.81 0.00 0.00 61.98 59.10 1nf2 s VAL 428 Cb 0.00 -0.70 -0.04 0.00 0.56 0.00 0.00 36.38 36.21 1nf2 s VAL 428 CO 0.00 -0.56 0.75 -1.81 -0.31 0.00 0.00 175.10 173.17 1nf2 s ASP 429 N -1.88 6.27 0.11 4.85 1.11 -1.26 -4.67 116.67 121.20 1nf2 s ASP 429 Ca -0.09 0.85 -0.09 0.00 0.18 0.00 0.00 52.55 53.41 1nf2 s ASP 429 Cb -0.04 -2.21 -0.00 0.00 1.07 0.00 0.00 42.92 41.74 1nf2 s ASP 429 CO -0.03 -0.54 0.22 -0.72 1.18 0.00 0.00 175.17 175.29 1nf2 s TYR 430 N -2.68 0.23 0.01 4.23 1.13 -1.26 -4.42 117.35 114.60 1nf2 s TYR 430 Ca 0.46 -0.64 0.07 0.00 -1.41 0.00 0.00 57.07 55.55 1nf2 s TYR 430 Cb -0.10 -0.06 -0.02 0.00 -1.10 0.00 0.00 41.96 40.68 1nf2 s TYR 430 CO 0.44 -0.60 -0.20 1.03 -2.51 0.00 0.00 175.55 173.70 1nf2 s ARG 431 N -3.90 1.50 -0.20 -3.49 0.52 0.03 -5.02 118.95 108.39 1nf2 s ARG 431 Ca 0.09 -0.82 -0.14 0.00 -0.52 0.00 0.00 55.73 54.34 1nf2 s ARG 431 Cb 0.04 -1.53 -0.04 0.00 0.52 0.00 0.00 34.95 33.94 1nf2 s ARG 431 CO -0.07 0.41 0.31 0.14 0.02 0.00 0.00 175.30 176.11 1nf2 s VAL 432 N -0.62 5.26 -0.28 3.52 -7.23 -1.26 -1.35 120.40 118.44 1nf2 s VAL 432 Ca 0.07 0.54 -0.02 0.00 -1.81 0.00 0.00 61.98 60.76 1nf2 s VAL 432 Cb -0.08 -3.65 0.09 0.00 0.56 0.00 0.00 36.38 33.30 1nf2 s VAL 432 CO 0.00 0.31 0.10 -0.70 -0.31 0.00 0.00 175.10 174.50 1nf2 s GLU 433 N 1.06 0.50 0.34 4.82 2.56 0.12 -4.93 118.70 123.17 1nf2 s GLU 433 Ca 0.16 -0.75 0.04 0.00 0.00 0.00 0.00 54.97 54.42 1nf2 s GLU 433 Cb -0.14 -1.72 0.67 0.00 2.00 0.00 0.00 34.13 34.94 1nf2 s GLU 433 CO 0.06 -0.93 1.93 -1.00 -0.56 0.00 0.00 175.26 174.75 1nf2 h PRO 434 N 8.23 0.83 -1.08 4.30 0.13 -1.80 -1.75 132.00 140.87 1nf2 h PRO 434 Ca -0.16 -0.05 -0.60 0.00 -0.87 0.00 0.00 66.00 64.32 1nf2 h PRO 434 Cb 1.03 -0.19 -0.27 0.00 0.13 0.00 0.00 31.00 31.71 1nf2 h PRO 434 CO 0.43 0.55 0.77 -1.71 -0.23 0.00 0.00 178.00 177.81 1nf2 n ASN 435 N -4.49 6.96 -0.12 1.44 5.15 -1.26 -4.65 115.26 118.29 1nf2 n ASN 435 Ca 0.13 -3.64 -0.08 0.00 -0.60 0.00 0.00 54.58 50.38 1nf2 n ASN 435 Cb 0.25 -0.97 -0.00 0.00 -0.53 0.00 0.00 39.78 38.53 1nf2 n ASN 435 CO 0.00 0.00 0.00 0.25 1.40 0.00 0.00 177.26 178.91 1nf2 h LEU 436 N 1.93 0.43 -1.86 1.20 5.85 -1.68 -2.55 115.31 118.64 1nf2 h LEU 436 Ca 0.56 -0.01 0.07 0.00 0.84 0.00 0.00 57.88 59.34 1nf2 h LEU 436 Cb 1.10 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 42.01 1nf2 h LEU 436 CO 1.40 0.31 0.46 0.77 -0.34 0.00 0.00 178.44 181.03 1nf2 h SER 437 N 0.51 0.00 0.34 1.25 4.64 -1.85 0.19 113.55 118.62 1nf2 h SER 437 Ca 0.14 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 61.13 1nf2 h SER 437 Cb -0.06 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.05 1nf2 h SER 437 CO -0.03 0.00 -1.55 -0.08 -0.87 0.00 0.00 176.83 174.30 1nf2 h GLU 438 N 0.00 0.38 -0.36 4.77 4.81 -1.84 -2.14 114.58 120.20 1nf2 h GLU 438 Ca 0.12 -0.65 -0.09 0.00 -0.13 0.00 0.00 59.36 58.61 1nf2 h GLU 438 Cb 1.03 0.24 -0.02 0.00 0.63 0.00 0.00 28.75 30.64 1nf2 h GLU 438 CO -0.00 1.28 -0.13 1.25 -0.73 0.00 0.00 179.01 180.68 1nf2 h LEU 439 N 0.10 0.63 -0.06 1.64 5.85 -0.65 -2.33 115.31 120.50 1nf2 h LEU 439 Ca -0.27 -0.18 -0.23 0.00 0.84 0.00 0.00 57.88 58.04 1nf2 h LEU 439 Cb 2.08 -0.17 0.02 0.00 0.37 0.00 0.00 40.66 42.96 1nf2 h LEU 439 CO 0.21 0.79 -0.86 0.58 -0.34 0.00 0.00 178.44 178.81 1nf2 h VAL 440 N 0.58 1.30 0.00 1.05 2.07 -1.26 -2.73 116.25 117.27 1nf2 h VAL 440 Ca 0.10 -2.10 -0.01 0.00 0.82 0.00 0.00 66.70 65.51 1nf2 h VAL 440 Cb 0.57 2.27 -0.00 0.00 -1.52 0.00 0.00 31.29 32.61 1nf2 h VAL 440 CO 0.04 0.65 -0.05 0.28 0.02 0.00 0.00 177.57 178.51 1nf2 h SER 441 N 0.35 0.00 0.54 0.57 0.02 -1.28 -0.48 113.55 113.27 1nf2 h SER 441 Ca -0.09 0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 60.64 1nf2 h SER 441 Cb 1.51 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 64.02 1nf2 h SER 441 CO 0.17 0.05 -1.63 1.17 -1.14 0.00 0.00 176.83 175.45 1nf2 n LYS 442 N -3.22 0.63 -0.37 3.45 3.00 -0.89 -4.49 118.16 116.27 1nf2 n LYS 442 Ca -0.01 0.21 0.00 0.00 -0.00 0.00 0.00 58.31 58.51 1nf2 n LYS 442 Cb 0.26 -1.76 0.00 0.00 0.00 0.00 0.00 35.03 33.53 1nf2 n LYS 442 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.40 176.07 1nf2 n MET 443 N -2.90 0.00 -0.94 1.64 2.81 -1.03 -4.86 117.12 111.84 1nf2 n MET 443 Ca -0.14 -0.85 0.13 0.00 -1.81 0.00 0.00 57.70 55.02 1nf2 n MET 443 Cb 0.93 -0.49 -0.03 0.00 -0.71 0.00 0.00 33.22 32.91 1nf2 n MET 443 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1nf2 n GLY 444 N 0.00 -1.71 3.24 3.03 0.00 -0.20 -4.65 105.19 104.90 1nf2 n GLY 444 Ca 0.00 -1.29 -0.13 0.00 0.00 0.00 0.00 46.02 44.60 1nf2 n GLY 444 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1nf2 s THR 445 N -1.84 0.05 0.46 2.61 -1.32 -0.93 -4.74 115.64 109.92 1nf2 s THR 445 Ca 0.00 -0.38 0.17 0.00 -1.21 0.00 0.00 61.69 60.27 1nf2 s THR 445 Cb 0.00 -0.59 0.22 0.00 -1.51 0.00 0.00 72.50 70.61 1nf2 s THR 445 CO 0.00 -0.21 2.03 0.74 -2.21 0.00 0.00 174.62 174.97 1nf2 h THR 446 N 3.99 1.00 -1.06 5.08 2.02 -1.29 0.20 112.91 122.85 1nf2 h THR 446 Ca -0.29 -0.53 0.36 0.00 0.77 0.00 0.00 66.41 66.72 1nf2 h THR 446 Cb 1.18 1.29 -0.18 0.00 -1.74 0.00 0.00 68.15 68.71 1nf2 h THR 446 CO 0.38 0.15 0.98 -1.59 0.37 0.00 0.00 175.52 175.80 1nf2 s LYS 447 N -4.60 0.05 0.10 6.66 -2.85 -1.26 -4.41 119.74 113.43 1nf2 s LYS 447 Ca -0.04 -0.02 0.09 0.00 -1.00 0.00 0.00 55.97 55.00 1nf2 s LYS 447 Cb 0.15 0.02 -0.03 0.00 -2.06 0.00 0.00 37.83 35.91 1nf2 s LYS 447 CO 0.67 -0.02 -0.23 -0.51 0.10 0.00 0.00 175.35 175.36 1nf2 s LEU 448 N -2.46 2.27 -0.03 2.77 1.43 -0.62 -2.65 118.68 119.38 1nf2 s LEU 448 Ca 0.13 -0.67 -0.01 0.00 -1.03 0.00 0.00 54.13 52.56 1nf2 s LEU 448 Cb 0.03 -1.01 0.03 0.00 0.03 0.00 0.00 46.19 45.27 1nf2 s LEU 448 CO -0.04 0.12 0.05 -0.22 0.23 0.00 0.00 176.35 176.49 1nf2 s LEU 449 N -1.78 0.91 -0.02 1.79 0.20 -0.80 -1.11 118.68 117.86 1nf2 s LEU 449 Ca 0.09 0.08 0.02 0.00 0.69 0.00 0.00 54.13 55.01 1nf2 s LEU 449 Cb -0.10 -0.02 -0.03 0.00 -0.43 0.00 0.00 46.19 45.61 1nf2 s LEU 449 CO 0.04 -0.15 -0.05 -0.76 -0.29 0.00 0.00 176.35 175.14 1nf2 s LEU 450 N 1.23 3.26 -0.05 -0.68 1.02 0.40 -1.36 118.68 122.50 1nf2 s LEU 450 Ca -0.07 -0.06 0.03 0.00 0.02 0.00 0.00 54.13 54.04 1nf2 s LEU 450 Cb -0.13 -1.81 0.01 0.00 0.02 0.00 0.00 46.19 44.28 1nf2 s LEU 450 CO -0.03 0.31 -0.13 -0.51 0.02 0.00 0.00 176.35 176.00 1nf2 s ILE 451 N -0.95 1.19 0.08 -0.59 1.10 -0.95 -0.85 121.20 120.24 1nf2 s ILE 451 Ca 0.16 -0.54 -0.14 0.00 -0.51 0.00 0.00 60.65 59.62 1nf2 s ILE 451 Cb -0.11 -1.07 0.05 0.00 0.15 0.00 0.00 42.46 41.48 1nf2 s ILE 451 CO 0.06 0.36 0.65 -0.67 -2.11 0.00 0.00 174.94 173.23 1nf2 n ASP 452 N 3.55 -0.95 -4.76 4.50 -0.08 -1.20 -4.04 116.55 113.56 1nf2 n ASP 452 Ca -0.21 -1.44 -0.40 0.00 -1.51 0.00 0.00 54.79 51.23 1nf2 n ASP 452 Cb 0.52 1.53 0.02 0.00 2.34 0.00 0.00 41.12 45.54 1nf2 n ASP 452 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 1nf2 n THR 453 N -0.46 2.99 0.32 5.18 -2.24 -1.26 -4.55 114.28 114.27 1nf2 n THR 453 Ca -0.00 -0.50 0.18 0.00 -2.27 0.00 0.00 64.05 61.46 1nf2 n THR 453 Cb 0.35 -1.81 0.95 0.00 -2.10 0.00 0.00 70.33 67.72 1nf2 n THR 453 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 1nf2 h PRO 454 N 2.12 0.00 0.33 -0.78 0.11 -1.94 -1.05 132.00 130.80 1nf2 h PRO 454 Ca -0.51 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.59 1nf2 h PRO 454 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1nf2 h PRO 454 CO 0.60 0.00 -0.16 1.49 -0.21 0.00 0.00 178.00 179.72 1nf2 h GLU 455 N 0.00 -0.42 0.00 1.05 4.57 -1.87 -2.90 114.58 115.00 1nf2 h GLU 455 Ca 0.01 0.03 -0.07 0.00 -1.18 0.00 0.00 59.36 58.15 1nf2 h GLU 455 Cb 0.46 0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 29.13 1nf2 h GLU 455 CO -0.00 -0.28 -0.34 -0.09 -1.18 0.00 0.00 179.01 177.12 1nf2 h ARG 456 N -0.63 0.00 -0.29 1.92 2.43 -1.79 -3.04 114.38 112.98 1nf2 h ARG 456 Ca -0.05 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.10 1nf2 h ARG 456 Cb 0.34 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.88 1nf2 h ARG 456 CO 0.07 0.34 0.10 1.25 -1.51 0.00 0.00 179.97 180.22 1nf2 h LEU 457 N 0.00 0.42 -1.26 3.80 5.85 -1.31 0.14 115.31 122.95 1nf2 h LEU 457 Ca -0.00 -0.20 0.05 0.00 0.84 0.00 0.00 57.88 58.57 1nf2 h LEU 457 Cb 0.73 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.60 1nf2 h LEU 457 CO 0.04 0.50 0.52 0.44 -0.34 0.00 0.00 178.44 179.61 1nf2 h ASP 458 N 0.31 0.81 0.01 1.25 3.45 -1.40 0.46 116.42 121.30 1nf2 h ASP 458 Ca 0.09 -0.00 -0.00 0.00 0.43 0.00 0.00 57.03 57.55 1nf2 h ASP 458 Cb 0.23 -0.18 0.00 0.00 -0.56 0.00 0.00 39.33 38.82 1nf2 h ASP 458 CO -0.00 0.54 -0.00 -0.33 -1.57 0.00 0.00 179.24 177.87 1nf2 h GLU 459 N 0.93 -0.01 -0.89 3.56 5.08 -1.31 -2.80 114.58 119.14 1nf2 h GLU 459 Ca 0.33 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.67 1nf2 h GLU 459 Cb 0.13 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.34 1nf2 h GLU 459 CO -0.11 0.22 0.50 -0.07 -1.00 0.00 0.00 179.01 178.54 1nf2 h LEU 460 N -0.23 1.11 -0.28 1.33 3.38 0.42 -2.61 115.31 118.43 1nf2 h LEU 460 Ca -0.00 -0.09 0.04 0.00 0.09 0.00 0.00 57.88 57.91 1nf2 h LEU 460 Cb 0.23 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.66 1nf2 h LEU 460 CO 0.00 0.88 0.05 0.50 0.09 0.00 0.00 178.44 179.97 1nf2 h LYS 461 N 1.25 0.15 -0.08 1.13 3.64 -0.07 0.14 116.57 122.74 1nf2 h LYS 461 Ca 0.32 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.72 1nf2 h LYS 461 Cb 0.02 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 31.76 1nf2 h LYS 461 CO -0.05 0.10 -0.15 1.49 -2.27 0.00 0.00 179.45 178.57 1nf2 h GLU 462 N 0.16 -0.21 0.00 1.90 4.81 -1.21 0.33 114.58 120.37 1nf2 h GLU 462 Ca 0.13 0.01 -0.13 0.00 -0.13 0.00 0.00 59.36 59.25 1nf2 h GLU 462 Cb 0.14 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.55 1nf2 h GLU 462 CO -0.17 -0.14 -0.61 -0.84 -0.73 0.00 0.00 179.01 176.51 1nf2 h ILE 463 N -0.21 1.38 0.16 2.32 3.07 -1.23 -2.83 117.51 120.16 1nf2 h ILE 463 Ca 0.08 -2.14 -0.29 0.00 1.55 0.00 0.00 64.86 64.05 1nf2 h ILE 463 Cb 0.32 2.17 0.01 0.00 -0.27 0.00 0.00 36.82 39.06 1nf2 h ILE 463 CO -0.20 0.60 -1.34 -0.07 -1.05 0.00 0.00 178.15 176.09 1nf2 h LEU 464 N 0.00 0.53 -0.68 0.16 3.38 -0.50 -3.04 115.31 115.16 1nf2 h LEU 464 Ca -0.01 -0.58 -0.02 0.00 0.09 0.00 0.00 57.88 57.36 1nf2 h LEU 464 Cb 1.12 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.67 1nf2 h LEU 464 CO 0.08 1.46 0.35 -1.28 0.09 0.00 0.00 178.44 179.14 1nf2 h SER 465 N 0.09 0.88 0.49 -0.43 0.87 -0.34 -1.76 113.55 113.35 1nf2 h SER 465 Ca -0.18 -0.12 -0.02 0.00 -1.23 0.00 0.00 61.79 60.24 1nf2 h SER 465 Cb 2.03 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 63.77 1nf2 h SER 465 CO 0.22 0.75 -0.27 -0.33 -0.53 0.00 0.00 176.83 176.66 1nf2 h GLU 466 N 0.94 -0.68 -0.79 2.24 4.39 -1.58 0.17 114.58 119.27 1nf2 h GLU 466 Ca 0.24 0.05 0.12 0.00 0.34 0.00 0.00 59.36 60.10 1nf2 h GLU 466 Cb 0.09 0.15 -0.08 0.00 -0.10 0.00 0.00 28.75 28.81 1nf2 h GLU 466 CO -0.03 -0.45 0.41 -0.09 -1.16 0.00 0.00 179.01 177.68 1nf2 h ARG 467 N -0.71 0.62 -0.23 2.33 9.65 -1.51 -3.15 114.38 121.38 1nf2 h ARG 467 Ca -0.07 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.78 1nf2 h ARG 467 Cb 0.55 -0.14 0.00 0.00 -1.39 0.00 0.00 29.97 29.00 1nf2 h ARG 467 CO 0.09 0.41 0.00 1.19 2.80 0.00 0.00 179.97 184.46 1nf2 n PHE 468 N -4.85 0.62 0.27 2.20 3.72 -0.67 -4.68 117.46 114.07 1nf2 n PHE 468 Ca 0.14 -0.76 0.18 0.00 -0.05 0.00 0.00 57.45 56.96 1nf2 n PHE 468 Cb 0.34 -0.20 0.89 0.00 -0.94 0.00 0.00 39.48 39.58 1nf2 n PHE 468 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 1nf2 h LYS 469 N 1.50 0.00 0.00 -1.08 3.64 -0.91 -0.60 116.57 119.12 1nf2 h LYS 469 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1nf2 h LYS 469 Cb 1.13 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.95 1nf2 h LYS 469 CO 0.12 0.00 -0.02 -0.44 -2.27 0.00 0.00 179.45 176.84 1nf2 h ASP 470 N 0.00 0.00 0.00 4.20 3.45 -1.84 -3.37 116.42 118.85 1nf2 h ASP 470 Ca 0.05 -0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.51 1nf2 h ASP 470 Cb 0.54 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.31 1nf2 h ASP 470 CO -0.00 0.00 0.00 1.33 -1.57 0.00 0.00 179.24 179.00 1nf2 n VAL 471 N -2.82 0.00 -3.87 -1.35 0.24 -0.68 -5.05 118.33 104.81 1nf2 n VAL 471 Ca 0.04 -0.21 -0.09 0.00 -2.04 0.00 0.00 64.34 62.05 1nf2 n VAL 471 Cb 0.50 1.28 -0.07 0.00 -1.47 0.00 0.00 33.84 34.08 1nf2 n VAL 471 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1nf2 s VAL 472 N -0.21 0.11 -0.16 3.34 0.11 -0.32 -3.46 120.40 119.81 1nf2 s VAL 472 Ca 0.00 -1.19 -0.02 0.00 -2.93 0.00 0.00 61.98 57.85 1nf2 s VAL 472 Cb 0.00 -1.49 -0.01 0.00 -1.53 0.00 0.00 36.38 33.35 1nf2 s VAL 472 CO 0.00 -0.50 -0.10 -0.75 -3.33 0.00 0.00 175.10 170.42 1nf2 s LYS 473 N -3.89 3.40 -0.14 1.54 2.47 0.25 -4.36 119.74 119.02 1nf2 s LYS 473 Ca 0.09 -0.65 0.01 0.00 -1.56 0.00 0.00 55.97 53.86 1nf2 s LYS 473 Cb 0.04 -2.76 0.02 0.00 -1.46 0.00 0.00 37.83 33.66 1nf2 s LYS 473 CO -0.07 0.09 -0.18 0.14 0.16 0.00 0.00 175.35 175.49 1nf2 s VAL 474 N 0.69 1.76 0.09 4.02 -7.23 -1.26 -0.66 120.40 117.80 1nf2 s VAL 474 Ca -0.05 -0.78 -0.13 0.00 -1.81 0.00 0.00 61.98 59.22 1nf2 s VAL 474 Cb -0.15 -1.60 0.02 0.00 0.56 0.00 0.00 36.38 35.21 1nf2 s VAL 474 CO 0.02 0.49 0.30 0.72 -0.31 0.00 0.00 175.10 176.32 1nf2 s PHE 475 N 1.12 -0.04 -0.39 2.82 -0.71 -0.16 -4.93 117.98 115.69 1nf2 s PHE 475 Ca -0.02 -0.28 -0.24 0.00 -1.04 0.00 0.00 56.93 55.36 1nf2 s PHE 475 Cb -0.14 0.10 0.02 0.00 -1.21 0.00 0.00 43.02 41.78 1nf2 s PHE 475 CO -0.06 -0.59 0.83 0.15 -1.34 0.00 0.00 175.22 174.21 1nf2 s LYS 476 N -3.52 3.69 0.22 1.99 -0.14 -1.26 0.48 119.74 121.20 1nf2 s LYS 476 Ca 0.02 0.29 0.15 0.00 -1.36 0.00 0.00 55.97 55.07 1nf2 s LYS 476 Cb 0.02 -3.84 0.01 0.00 -1.68 0.00 0.00 37.83 32.34 1nf2 s LYS 476 CO -0.10 -0.96 1.28 0.66 -0.76 0.00 0.00 175.35 175.47 1nf2 h SER 477 N 8.64 0.00 -5.01 2.83 4.64 -1.38 -3.47 113.55 119.79 1nf2 h SER 477 Ca -0.24 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.04 1nf2 h SER 477 Cb 1.09 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.03 1nf2 h SER 477 CO 0.95 0.52 0.17 -0.36 -0.87 0.00 0.00 176.83 177.24 1nf2 s PHE 478 N -2.95 -0.54 0.43 4.77 0.08 -1.15 -4.98 117.98 113.63 1nf2 s PHE 478 Ca 0.02 0.53 0.34 0.00 0.12 0.00 0.00 56.93 57.93 1nf2 s PHE 478 Cb 0.08 0.48 1.43 0.00 -0.57 0.00 0.00 43.02 44.44 1nf2 s PHE 478 CO 0.76 -0.76 1.44 -2.30 -0.10 0.00 0.00 175.22 174.26 1nf2 n PRO 479 N 0.04 -0.03 -0.07 0.24 -0.02 -1.26 0.10 135.00 134.01 1nf2 n PRO 479 Ca -0.18 1.12 0.02 0.00 -2.02 0.00 0.00 63.50 62.45 1nf2 n PRO 479 Cb 0.62 -2.28 0.06 0.00 -0.02 0.00 0.00 33.50 31.88 1nf2 n PRO 479 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1nf2 n THR 480 N -4.37 0.89 -4.07 3.45 -2.24 -1.26 -3.53 114.28 103.14 1nf2 n THR 480 Ca 0.38 -0.95 -0.32 0.00 -2.27 0.00 0.00 64.05 60.89 1nf2 n THR 480 Cb 1.54 0.57 -0.16 0.00 -2.10 0.00 0.00 70.33 70.18 1nf2 n THR 480 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1nf2 s TYR 481 N -0.94 2.92 -0.22 4.78 2.02 0.11 -3.27 117.35 122.76 1nf2 s TYR 481 Ca 0.10 -1.93 -0.05 0.00 -0.37 0.00 0.00 57.07 54.82 1nf2 s TYR 481 Cb 0.05 -1.87 -0.02 0.00 -0.40 0.00 0.00 41.96 39.72 1nf2 s TYR 481 CO 0.07 -0.83 0.00 -1.17 -1.57 0.00 0.00 175.55 172.05 1nf2 s LEU 482 N 1.23 3.17 0.08 -1.29 0.20 -0.03 -0.89 118.68 121.15 1nf2 s LEU 482 Ca -0.02 -0.27 0.04 0.00 0.69 0.00 0.00 54.13 54.57 1nf2 s LEU 482 Cb -0.17 -1.82 -0.04 0.00 -0.43 0.00 0.00 46.19 43.74 1nf2 s LEU 482 CO -0.09 0.01 0.04 -1.61 -0.29 0.00 0.00 176.35 174.42 1nf2 s GLU 483 N 1.30 2.73 -0.15 1.98 2.02 0.18 -0.45 118.70 126.30 1nf2 s GLU 483 Ca 0.04 -0.75 -0.01 0.00 0.02 0.00 0.00 54.97 54.27 1nf2 s GLU 483 Cb -0.15 -2.64 0.04 0.00 0.10 0.00 0.00 34.13 31.48 1nf2 s GLU 483 CO 0.01 0.56 -0.05 0.42 0.02 0.00 0.00 175.26 176.22 1nf2 s ILE 484 N -1.34 1.02 0.21 -1.63 1.01 -0.27 -0.99 121.20 119.22 1nf2 s ILE 484 Ca 0.27 -0.53 0.04 0.00 0.00 0.00 0.00 60.65 60.43 1nf2 s ILE 484 Cb -0.12 -1.19 -0.05 0.00 0.01 0.00 0.00 42.46 41.11 1nf2 s ILE 484 CO 0.20 0.16 -0.04 0.68 0.00 0.00 0.00 174.94 175.93 1nf2 s VAL 485 N 1.68 1.12 0.37 2.92 -7.23 0.16 -1.59 120.40 117.82 1nf2 s VAL 485 Ca 0.02 -2.05 -0.26 0.00 -1.81 0.00 0.00 61.98 57.88 1nf2 s VAL 485 Cb -0.15 -2.20 -0.12 0.00 0.56 0.00 0.00 36.38 34.47 1nf2 s VAL 485 CO -0.08 -0.45 0.99 -2.65 -0.31 0.00 0.00 175.10 172.60 1nf2 n PRO 486 N -0.36 1.33 0.00 4.82 -0.02 -1.26 -0.58 135.00 138.92 1nf2 n PRO 486 Ca -0.07 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 1nf2 n PRO 486 Cb 0.63 -1.94 0.00 0.00 -0.02 0.00 0.00 33.50 32.17 1nf2 n PRO 486 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1nf2 n LYS 487 N 0.42 0.00 -3.44 -0.52 3.00 -1.22 -3.90 118.16 112.50 1nf2 n LYS 487 Ca 0.09 0.45 -0.35 0.00 -0.00 0.00 0.00 58.31 58.50 1nf2 n LYS 487 Cb 0.36 -0.87 -0.05 0.00 0.00 0.00 0.00 35.03 34.48 1nf2 n LYS 487 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 1nf2 n ASN 488 N -1.07 4.61 -4.03 3.14 2.04 -1.26 -4.64 115.26 114.04 1nf2 n ASN 488 Ca 0.00 -3.28 -0.19 0.00 -0.44 0.00 0.00 54.58 50.67 1nf2 n ASN 488 Cb 0.00 -1.00 -0.15 0.00 -2.53 0.00 0.00 39.78 36.10 1nf2 n ASN 488 CO 0.00 0.00 0.00 0.68 -0.44 0.00 0.00 177.26 177.50 1nf2 s VAL 489 N -2.01 0.75 0.14 3.53 -7.23 -1.25 -5.03 120.40 109.30 1nf2 s VAL 489 Ca 0.32 -0.44 -0.25 0.00 -1.81 0.00 0.00 61.98 59.80 1nf2 s VAL 489 Cb 0.02 -0.64 0.07 0.00 0.56 0.00 0.00 36.38 36.38 1nf2 s VAL 489 CO -0.04 0.19 0.91 1.51 -0.31 0.00 0.00 175.10 177.36 1nf2 s ASP 490 N -0.28 -0.23 0.38 4.85 1.47 -1.23 -4.91 116.67 116.72 1nf2 s ASP 490 Ca 0.03 -0.34 0.08 0.00 1.18 0.00 0.00 52.55 53.51 1nf2 s ASP 490 Cb -0.04 0.50 0.83 0.00 -0.34 0.00 0.00 42.92 43.86 1nf2 s ASP 490 CO -0.00 -0.90 1.95 0.11 0.68 0.00 0.00 175.17 177.01 1nf2 h LYS 491 N 2.00 0.64 -0.16 2.11 1.57 -1.69 -1.95 116.57 119.10 1nf2 h LYS 491 Ca -0.24 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.49 1nf2 h LYS 491 Cb 1.24 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.40 1nf2 h LYS 491 CO 0.27 0.42 0.04 0.78 -0.57 0.00 0.00 179.45 180.38 1nf2 h GLY 492 N 0.66 0.27 1.61 3.86 0.00 -1.83 -0.97 103.07 106.67 1nf2 h GLY 492 Ca 0.33 -0.17 -0.04 0.00 0.00 0.00 0.00 47.33 47.44 1nf2 h GLY 492 CO -0.11 0.16 0.01 0.50 0.00 0.00 0.00 176.54 177.10 1nf2 h LYS 493 N 0.05 0.49 -0.25 4.80 1.57 -1.73 -1.00 116.57 120.49 1nf2 h LYS 493 Ca 0.05 -0.10 -0.18 0.00 -1.87 0.00 0.00 60.65 58.55 1nf2 h LYS 493 Cb 0.27 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.50 1nf2 h LYS 493 CO 0.00 0.51 -0.57 0.00 -0.57 0.00 0.00 179.45 178.82 1nf2 h ALA 494 N 1.55 0.51 -0.26 3.86 0.00 -1.17 -2.43 119.26 121.32 1nf2 h ALA 494 Ca 0.11 -0.52 -0.12 0.00 0.00 0.00 0.00 54.91 54.37 1nf2 h ALA 494 Cb 0.29 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1nf2 h ALA 494 CO 0.01 0.68 -0.36 1.25 0.00 0.00 0.00 179.25 180.83 1nf2 h LEU 495 N 0.60 0.60 -0.50 0.00 5.85 -0.71 -1.26 115.31 119.88 1nf2 h LEU 495 Ca 0.01 -0.25 -0.05 0.00 0.84 0.00 0.00 57.88 58.42 1nf2 h LEU 495 Cb 1.16 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 42.00 1nf2 h LEU 495 CO 0.12 0.91 0.11 -0.09 -0.34 0.00 0.00 178.44 179.14 1nf2 h ARG 496 N 0.48 0.82 -0.11 1.25 2.43 -1.18 0.11 114.38 118.19 1nf2 h ARG 496 Ca 0.05 -0.21 0.02 0.00 -0.81 0.00 0.00 59.98 59.03 1nf2 h ARG 496 Cb 0.85 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.28 1nf2 h ARG 496 CO 0.07 0.80 -0.00 0.35 -1.51 0.00 0.00 179.97 179.68 1nf2 h PHE 497 N 0.70 -0.01 -0.39 2.20 3.57 -1.22 -0.63 116.94 121.17 1nf2 h PHE 497 Ca 0.16 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.62 1nf2 h PHE 497 Cb 0.36 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.10 1nf2 h PHE 497 CO 0.02 -0.02 0.06 1.25 -2.23 0.00 0.00 178.31 177.40 1nf2 h LEU 498 N 0.03 0.54 -0.20 0.59 5.85 -0.97 -1.40 115.31 119.75 1nf2 h LEU 498 Ca 0.05 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 1nf2 h LEU 498 Cb 0.06 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 40.94 1nf2 h LEU 498 CO -0.09 0.57 0.08 -0.09 -0.34 0.00 0.00 178.44 178.57 1nf2 h ARG 499 N 0.56 0.30 -0.26 1.25 2.43 -0.11 0.13 114.38 118.67 1nf2 h ARG 499 Ca 0.13 -0.05 -0.08 0.00 -0.81 0.00 0.00 59.98 59.17 1nf2 h ARG 499 Cb 0.27 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 1nf2 h ARG 499 CO 0.00 0.35 -0.16 0.93 -1.51 0.00 0.00 179.97 179.58 1nf2 h GLU 500 N 0.17 0.45 -0.14 0.20 4.39 -0.84 0.48 114.58 119.30 1nf2 h GLU 500 Ca 0.07 -0.14 -0.05 0.00 0.34 0.00 0.00 59.36 59.58 1nf2 h GLU 500 Cb 0.17 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 28.77 1nf2 h GLU 500 CO -0.01 0.61 -0.11 -0.09 -1.16 0.00 0.00 179.01 178.25 1nf2 h ARG 501 N 0.42 0.32 0.00 2.33 1.12 -0.96 -3.23 114.38 114.38 1nf2 h ARG 501 Ca 0.07 -0.16 0.00 0.00 -1.11 0.00 0.00 59.98 58.79 1nf2 h ARG 501 Cb 0.53 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.49 1nf2 h ARG 501 CO 0.03 0.69 -0.45 -0.12 -3.11 0.00 0.00 179.97 177.01 1nf2 n MET 502 N -4.61 0.19 -2.71 0.20 1.56 0.41 -4.96 117.12 107.21 1nf2 n MET 502 Ca -0.06 0.07 -0.07 0.00 -0.27 0.00 0.00 57.70 57.37 1nf2 n MET 502 Cb 0.33 -1.64 0.02 0.00 2.15 0.00 0.00 33.22 34.08 1nf2 n MET 502 CO 0.00 0.00 0.00 -1.71 -0.73 0.00 0.00 175.97 173.53 1nf2 n ASN 503 N -1.93 -3.16 -4.81 6.12 4.05 0.15 -5.04 115.26 110.64 1nf2 n ASN 503 Ca 0.04 -0.13 -0.30 0.00 0.45 0.00 0.00 54.58 54.64 1nf2 n ASN 503 Cb 0.40 -1.84 0.07 0.00 1.23 0.00 0.00 39.78 39.65 1nf2 n ASN 503 CO 0.00 0.00 0.00 0.26 -3.05 0.00 0.00 177.26 174.47 1nf2 s TRP 504 N -2.96 2.96 -0.05 1.20 0.23 -0.08 -5.02 118.94 115.22 1nf2 s TRP 504 Ca 0.14 1.24 0.06 0.00 -2.03 0.00 0.00 56.10 55.52 1nf2 s TRP 504 Cb -0.06 -3.03 -0.01 0.00 0.03 0.00 0.00 33.47 30.39 1nf2 s TRP 504 CO 0.18 -1.55 -0.24 -1.59 0.96 0.00 0.00 176.95 174.70 1nf2 s LYS 505 N -5.13 2.42 0.27 4.98 -2.85 -1.26 -4.78 119.74 113.39 1nf2 s LYS 505 Ca 0.60 -0.89 -0.01 0.00 -1.00 0.00 0.00 55.97 54.66 1nf2 s LYS 505 Cb -0.14 -2.15 0.60 0.00 -2.06 0.00 0.00 37.83 34.08 1nf2 s LYS 505 CO 0.54 0.46 1.66 -0.22 0.10 0.00 0.00 175.35 177.88 1nf2 h LYS 506 N 5.83 0.21 -0.62 1.78 3.64 -1.97 -1.32 116.57 124.12 1nf2 h LYS 506 Ca -0.36 -0.01 0.18 0.00 -1.27 0.00 0.00 60.65 59.18 1nf2 h LYS 506 Cb 1.16 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.90 1nf2 h LYS 506 CO 0.47 0.14 0.56 0.93 -2.27 0.00 0.00 179.45 179.28 1nf2 h GLU 507 N 0.21 0.00 -0.63 1.90 5.08 -1.92 -0.85 114.58 118.37 1nf2 h GLU 507 Ca 0.49 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.85 1nf2 h GLU 507 Cb 0.94 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.19 1nf2 h GLU 507 CO -0.62 0.00 0.00 -0.85 -1.00 0.00 0.00 179.01 176.54 1nf2 n GLU 508 N -3.90 3.38 -4.27 2.33 0.28 -0.50 -4.69 120.64 113.26 1nf2 n GLU 508 Ca 0.12 -2.76 -0.34 0.00 -0.16 0.00 0.00 57.16 54.02 1nf2 n GLU 508 Cb 0.80 -1.75 -0.11 0.00 1.43 0.00 0.00 31.44 31.80 1nf2 n GLU 508 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 1nf2 s ILE 509 N -1.60 4.22 -0.10 3.84 1.01 -0.42 -1.21 121.20 126.94 1nf2 s ILE 509 Ca 0.48 -0.24 0.01 0.00 0.00 0.00 0.00 60.65 60.90 1nf2 s ILE 509 Cb 0.29 -2.86 -0.02 0.00 0.01 0.00 0.00 42.46 39.88 1nf2 s ILE 509 CO 0.25 0.49 -0.14 -0.69 0.00 0.00 0.00 174.94 174.86 1nf2 s VAL 510 N 0.23 3.06 -0.06 2.92 1.01 0.59 -1.12 120.40 127.03 1nf2 s VAL 510 Ca -0.00 -0.69 0.03 0.00 0.00 0.00 0.00 61.98 61.32 1nf2 s VAL 510 Cb -0.13 -2.25 0.00 0.00 0.00 0.00 0.00 36.38 34.01 1nf2 s VAL 510 CO 0.02 0.55 -0.16 0.68 0.00 0.00 0.00 175.10 176.19 1nf2 s VAL 511 N -0.10 1.43 -0.22 2.92 -7.23 -0.78 -0.10 120.40 116.31 1nf2 s VAL 511 Ca -0.02 -0.67 -0.05 0.00 -1.81 0.00 0.00 61.98 59.43 1nf2 s VAL 511 Cb -0.14 -1.26 -0.02 0.00 0.56 0.00 0.00 36.38 35.53 1nf2 s VAL 511 CO 0.04 0.42 -0.02 -0.36 -0.31 0.00 0.00 175.10 174.87 1nf2 s PHE 512 N 0.37 2.99 0.00 2.82 0.08 -0.23 -0.81 117.98 123.20 1nf2 s PHE 512 Ca -0.12 -0.72 0.00 0.00 0.12 0.00 0.00 56.93 56.22 1nf2 s PHE 512 Cb -0.15 -2.11 0.00 0.00 -0.57 0.00 0.00 43.02 40.19 1nf2 s PHE 512 CO 0.04 -0.43 0.00 0.41 -0.10 0.00 0.00 175.22 175.14 1nf2 n GLY 513 N 4.64 5.03 0.00 4.36 0.00 -0.22 -2.70 105.19 116.31 1nf2 n GLY 513 Ca -0.18 -1.69 0.00 0.00 0.00 0.00 0.00 46.02 44.16 1nf2 n GLY 513 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1nf2 n ASP 514 N -1.17 0.00 -4.75 1.61 3.85 -1.26 -2.17 116.55 112.67 1nf2 n ASP 514 Ca 0.00 -0.05 -0.23 0.00 -0.71 0.00 0.00 54.79 53.81 1nf2 n ASP 514 Cb 0.00 0.00 -0.06 0.00 -1.35 0.00 0.00 41.12 39.71 1nf2 n ASP 514 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.20 176.39 1nf2 s ASN 515 N 0.00 4.82 0.27 -1.12 0.02 -1.26 -3.42 114.94 114.24 1nf2 s ASN 515 Ca 0.00 -0.67 0.03 0.00 -1.02 0.00 0.00 52.86 51.20 1nf2 s ASN 515 Cb 0.00 -0.83 0.36 0.00 0.02 0.00 0.00 41.25 40.80 1nf2 s ASN 515 CO 0.00 -0.24 1.66 -0.33 0.02 0.00 0.00 177.10 178.21 1nf2 h GLU 516 N 1.55 0.37 -0.48 -0.60 4.39 -2.00 -1.46 114.58 116.34 1nf2 h GLU 516 Ca -0.44 -0.18 -0.05 0.00 0.34 0.00 0.00 59.36 59.03 1nf2 h GLU 516 Cb 1.25 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.88 1nf2 h GLU 516 CO 0.62 0.71 0.10 -0.91 -1.16 0.00 0.00 179.01 178.37 1nf2 h ASN 517 N 0.31 0.69 1.71 1.42 -0.26 -2.02 -2.46 115.58 114.96 1nf2 h ASN 517 Ca 0.03 -0.12 0.00 0.00 -0.56 0.00 0.00 56.30 55.65 1nf2 h ASN 517 Cb 0.85 -0.18 0.00 0.00 -1.06 0.00 0.00 38.32 37.93 1nf2 h ASN 517 CO 0.07 0.69 0.00 0.44 -1.06 0.00 0.00 177.43 177.57 1nf2 h ASP 518 N 0.71 0.00 -0.41 5.81 3.45 -1.71 -3.23 116.42 121.05 1nf2 h ASP 518 Ca 0.16 0.00 0.04 0.00 0.43 0.00 0.00 57.03 57.66 1nf2 h ASP 518 Cb 0.29 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 39.04 1nf2 h ASP 518 CO 0.00 0.00 0.27 0.25 -1.57 0.00 0.00 179.24 178.19 1nf2 h LEU 519 N 0.00 0.34 -1.24 1.55 5.85 -0.80 0.11 115.31 121.12 1nf2 h LEU 519 Ca 0.00 -0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.64 1nf2 h LEU 519 Cb 0.85 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.79 1nf2 h LEU 519 CO 0.00 0.23 -0.37 -0.26 -0.34 0.00 0.00 178.44 177.70 1nf2 h PHE 520 N 0.40 0.00 0.00 1.25 0.04 -1.68 -2.68 116.94 114.27 1nf2 h PHE 520 Ca 0.17 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.81 1nf2 h PHE 520 Cb 0.18 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.31 1nf2 h PHE 520 CO -0.00 0.37 -0.61 0.52 -0.60 0.00 0.00 178.31 177.99 1nf2 h MET 521 N 0.00 0.00 -0.42 1.51 2.86 -1.17 -3.21 114.93 114.50 1nf2 h MET 521 Ca -0.00 0.00 0.05 0.00 -2.06 0.00 0.00 59.70 57.68 1nf2 h MET 521 Cb 0.68 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.31 1nf2 h MET 521 CO 0.05 0.61 0.28 0.74 1.06 0.00 0.00 176.91 179.65 1nf2 h PHE 522 N 0.00 0.37 0.00 -0.22 0.05 -1.09 -0.97 116.94 115.08 1nf2 h PHE 522 Ca -0.01 0.01 0.00 0.00 3.82 0.00 0.00 57.97 61.79 1nf2 h PHE 522 Cb 1.37 -0.12 0.00 0.00 2.00 0.00 0.00 35.95 39.20 1nf2 h PHE 522 CO 0.00 0.21 0.00 0.39 -0.18 0.00 0.00 178.31 178.73 1nf2 n GLU 523 N -4.48 0.22 -0.36 1.51 -0.58 -1.21 -2.82 120.64 112.92 1nf2 n GLU 523 Ca 0.05 0.39 0.09 0.00 -0.42 0.00 0.00 57.16 57.27 1nf2 n GLU 523 Cb 0.21 -1.88 0.26 0.00 -0.57 0.00 0.00 31.44 29.47 1nf2 n GLU 523 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1nf2 n GLU 524 N -2.28 3.01 -4.37 3.49 -0.58 -0.37 -5.01 120.64 114.52 1nf2 n GLU 524 Ca 0.03 -2.50 -0.19 0.00 -0.42 0.00 0.00 57.16 54.07 1nf2 n GLU 524 Cb 0.27 -1.55 -0.10 0.00 -0.57 0.00 0.00 31.44 29.50 1nf2 n GLU 524 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1nf2 s ALA 525 N -1.31 2.11 0.00 0.62 0.00 -1.13 -4.76 121.76 117.29 1nf2 s ALA 525 Ca 0.39 -1.75 -0.04 0.00 0.00 0.00 0.00 51.96 50.57 1nf2 s ALA 525 Cb 0.23 0.04 -0.28 0.00 0.00 0.00 0.00 23.12 23.11 1nf2 s ALA 525 CO 0.23 0.00 0.85 0.78 0.00 0.00 0.00 175.76 177.62 1nf2 h GLY 526 N 2.46 0.30 -5.43 0.00 0.00 -0.14 -3.46 103.07 96.80 1nf2 h GLY 526 Ca -0.39 -0.76 -0.60 0.00 0.00 0.00 0.00 47.33 45.59 1nf2 h GLY 526 CO 0.64 0.67 -0.85 -2.27 0.00 0.00 0.00 176.54 174.73 1nf2 s LEU 527 N -7.00 1.90 -0.25 3.11 2.96 -0.92 -5.01 118.68 113.47 1nf2 s LEU 527 Ca -0.09 -0.42 -0.02 0.00 -0.22 0.00 0.00 54.13 53.38 1nf2 s LEU 527 Cb 0.07 -1.10 0.02 0.00 0.50 0.00 0.00 46.19 45.68 1nf2 s LEU 527 CO 0.85 0.13 -0.05 -0.13 -1.32 0.00 0.00 176.35 175.83 1nf2 s ARG 528 N 0.29 2.90 -0.19 1.98 0.52 -1.26 -1.87 118.95 121.32 1nf2 s ARG 528 Ca -0.12 -0.94 -0.03 0.00 -0.52 0.00 0.00 55.73 54.12 1nf2 s ARG 528 Cb -0.15 -3.00 -0.01 0.00 0.52 0.00 0.00 34.95 32.30 1nf2 s ARG 528 CO 0.05 -0.38 -0.06 0.08 0.02 0.00 0.00 175.30 175.00 1nf2 s VAL 529 N 1.35 3.42 -0.13 3.52 1.01 0.01 -0.84 120.40 128.74 1nf2 s VAL 529 Ca 0.01 -0.50 -0.04 0.00 0.00 0.00 0.00 61.98 61.45 1nf2 s VAL 529 Cb -0.16 -2.52 -0.03 0.00 0.00 0.00 0.00 36.38 33.66 1nf2 s VAL 529 CO -0.04 0.46 0.02 0.00 0.00 0.00 0.00 175.10 175.54 1nf2 s ALA 530 N 0.99 3.32 0.60 5.51 0.00 0.46 -1.05 121.76 131.59 1nf2 s ALA 530 Ca -0.00 -0.78 -0.17 0.00 0.00 0.00 0.00 51.96 51.01 1nf2 s ALA 530 Cb -0.15 -1.66 -0.03 0.00 0.00 0.00 0.00 23.12 21.28 1nf2 s ALA 530 CO 0.00 0.41 1.11 -1.64 0.00 0.00 0.00 175.76 175.65 1nf2 s MET 531 N -0.32 3.10 0.53 0.00 -1.94 -0.92 -1.06 119.30 118.69 1nf2 s MET 531 Ca 0.07 1.48 0.25 0.00 -1.71 0.00 0.00 55.69 55.78 1nf2 s MET 531 Cb -0.12 -1.98 1.47 0.00 2.01 0.00 0.00 34.83 36.21 1nf2 s MET 531 CO 0.02 -1.02 2.12 1.49 -0.01 0.00 0.00 175.02 177.61 1nf2 h GLU 532 N 0.62 0.00 -0.01 2.03 4.81 -1.15 -0.87 114.58 120.01 1nf2 h GLU 532 Ca -0.48 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 1nf2 h GLU 532 Cb 1.25 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.63 1nf2 h GLU 532 CO 0.56 0.09 -0.02 0.27 -0.73 0.00 0.00 179.01 179.18 1nf2 n ASN 533 N -3.88 1.02 -4.75 1.04 6.94 -1.26 -4.92 115.26 109.46 1nf2 n ASN 533 Ca -0.02 -1.29 -0.32 0.00 -0.02 0.00 0.00 54.58 52.92 1nf2 n ASN 533 Cb 0.18 0.00 0.08 0.00 -2.36 0.00 0.00 39.78 37.69 1nf2 n ASN 533 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1nf2 s ALA 534 N -2.05 2.23 0.55 -2.53 0.00 -0.33 -4.99 121.76 114.64 1nf2 s ALA 534 Ca 0.40 0.49 -0.20 0.00 0.00 0.00 0.00 51.96 52.65 1nf2 s ALA 534 Cb 0.21 -3.34 -0.05 0.00 0.00 0.00 0.00 23.12 19.94 1nf2 s ALA 534 CO 0.36 -1.71 1.16 0.96 0.00 0.00 0.00 175.76 176.54 1nf2 s ILE 535 N -2.53 2.96 0.29 0.00 -4.36 -1.22 -4.77 121.20 111.56 1nf2 s ILE 535 Ca 0.66 0.62 0.02 0.00 -0.26 0.00 0.00 60.65 61.69 1nf2 s ILE 535 Cb -0.21 -3.26 0.33 0.00 1.25 0.00 0.00 42.46 40.57 1nf2 s ILE 535 CO 0.49 -0.11 1.63 1.05 0.24 0.00 0.00 174.94 178.24 1nf2 h GLU 536 N 1.22 0.15 -0.66 0.37 9.09 -1.95 0.03 114.58 122.82 1nf2 h GLU 536 Ca -0.50 -0.01 -0.01 0.00 0.05 0.00 0.00 59.36 58.89 1nf2 h GLU 536 Cb 1.27 -0.03 -0.03 0.00 -1.65 0.00 0.00 28.75 28.31 1nf2 h GLU 536 CO 0.57 0.10 0.38 -0.22 0.05 0.00 0.00 179.01 179.89 1nf2 h LYS 537 N 0.15 0.90 -0.25 1.06 3.64 -1.99 -0.95 116.57 119.13 1nf2 h LYS 537 Ca 0.57 -0.08 -0.14 0.00 -1.27 0.00 0.00 60.65 59.72 1nf2 h LYS 537 Cb 1.16 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 32.79 1nf2 h LYS 537 CO -0.71 0.65 -0.40 0.28 -2.27 0.00 0.00 179.45 176.99 1nf2 h VAL 538 N 0.92 1.30 -0.66 2.00 2.07 -1.37 -2.68 116.25 117.84 1nf2 h VAL 538 Ca 0.24 -1.60 0.07 0.00 0.82 0.00 0.00 66.70 66.23 1nf2 h VAL 538 Cb -0.01 1.71 -0.06 0.00 -1.52 0.00 0.00 31.29 31.41 1nf2 h VAL 538 CO -0.04 0.51 0.33 0.11 0.02 0.00 0.00 177.57 178.50 1nf2 h LYS 539 N 0.45 0.58 -0.08 1.57 1.79 -0.75 -2.31 116.57 117.83 1nf2 h LYS 539 Ca 0.02 -0.04 -0.07 0.00 -2.18 0.00 0.00 60.65 58.38 1nf2 h LYS 539 Cb 1.00 -0.13 -0.01 0.00 -1.58 0.00 0.00 32.23 31.50 1nf2 h LYS 539 CO 0.09 0.39 -0.29 0.93 -1.08 0.00 0.00 179.45 179.49 1nf2 h GLU 540 N 0.60 0.15 -0.00 3.15 5.08 -1.10 -2.87 114.58 119.58 1nf2 h GLU 540 Ca 0.31 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 1nf2 h GLU 540 Cb 0.27 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.50 1nf2 h GLU 540 CO -0.22 0.43 -0.17 0.00 -1.00 0.00 0.00 179.01 178.05 1nf2 n ALA 541 N -2.48 2.85 -2.03 3.43 0.00 -0.90 -4.91 120.51 116.47 1nf2 n ALA 541 Ca -0.01 -0.27 -0.23 0.00 0.00 0.00 0.00 53.44 52.93 1nf2 n ALA 541 Cb 0.37 -1.30 0.04 0.00 0.00 0.00 0.00 19.45 18.56 1nf2 n ALA 541 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1nf2 s SER 542 N -2.64 5.29 -0.16 0.00 1.04 -1.02 -4.97 113.70 111.24 1nf2 s SER 542 Ca 0.23 0.19 0.05 0.00 0.48 0.00 0.00 55.95 56.90 1nf2 s SER 542 Cb 0.19 -1.08 -0.23 0.00 0.10 0.00 0.00 66.02 65.00 1nf2 s SER 542 CO 0.52 -1.17 0.22 0.47 0.98 0.00 0.00 173.24 174.26 1nf2 n ASP 543 N -2.44 1.37 -3.85 7.02 8.00 -0.02 -4.95 116.55 121.68 1nf2 n ASP 543 Ca 0.07 0.12 -0.14 0.00 0.71 0.00 0.00 54.79 55.55 1nf2 n ASP 543 Cb 0.59 -0.18 -0.15 0.00 -0.02 0.00 0.00 41.12 41.36 1nf2 n ASP 543 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1nf2 s ILE 544 N -2.54 0.08 -0.37 0.53 1.01 -0.76 -5.03 121.20 114.11 1nf2 s ILE 544 Ca -0.19 0.04 -0.06 0.00 0.00 0.00 0.00 60.65 60.44 1nf2 s ILE 544 Cb 0.07 -0.13 0.07 0.00 0.01 0.00 0.00 42.46 42.48 1nf2 s ILE 544 CO 0.75 0.07 0.15 0.54 0.00 0.00 0.00 174.94 176.45 1nf2 s VAL 545 N 0.45 3.71 0.00 2.92 0.11 -1.26 -0.40 120.40 125.94 1nf2 s VAL 545 Ca -0.04 -1.41 0.00 0.00 -2.93 0.00 0.00 61.98 57.60 1nf2 s VAL 545 Cb -0.06 -3.24 0.00 0.00 -1.53 0.00 0.00 36.38 31.55 1nf2 s VAL 545 CO -0.01 -0.36 0.00 1.07 -3.33 0.00 0.00 175.10 172.47 1nf2 n THR 546 N 4.78 0.00 -1.97 5.04 5.66 -0.23 -4.85 114.28 122.72 1nf2 n THR 546 Ca -0.10 0.00 -0.30 0.00 -3.05 0.00 0.00 64.05 60.61 1nf2 n THR 546 Cb 0.43 -1.94 0.19 0.00 -1.55 0.00 0.00 70.33 67.46 1nf2 n THR 546 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 1nf2 s LEU 547 N 0.00 2.73 0.86 1.09 1.43 -1.26 -2.44 118.68 121.09 1nf2 s LEU 547 Ca 0.00 0.22 -0.11 0.00 -1.03 0.00 0.00 54.13 53.21 1nf2 s LEU 547 Cb 0.00 -2.26 0.11 0.00 0.03 0.00 0.00 46.19 44.07 1nf2 s LEU 547 CO 0.00 -2.72 1.10 -0.89 0.23 0.00 0.00 176.35 174.08 1nf2 s THR 548 N -3.86 2.75 -0.50 5.49 2.01 -1.26 -2.47 115.64 117.79 1nf2 s THR 548 Ca 0.74 0.24 0.25 0.00 0.31 0.00 0.00 61.69 63.23 1nf2 s THR 548 Cb -0.04 -2.57 0.27 0.00 0.01 0.00 0.00 72.50 70.17 1nf2 s THR 548 CO 0.53 -0.32 1.75 -0.55 -0.69 0.00 0.00 174.62 175.34 1nf2 h ASN 549 N -1.52 0.00 1.10 3.53 -0.00 -1.81 -1.97 115.58 114.91 1nf2 h ASN 549 Ca -0.46 0.00 -0.18 0.00 -0.00 0.00 0.00 56.30 55.66 1nf2 h ASN 549 Cb 1.26 0.00 -0.03 0.00 -0.00 0.00 0.00 38.32 39.55 1nf2 h ASN 549 CO 0.49 0.00 -0.92 0.78 -0.00 0.00 0.00 177.43 177.78 1nf2 h ASN 550 N 0.00 0.00 -5.76 6.14 -0.26 -1.91 -3.33 115.58 110.46 1nf2 h ASN 550 Ca 0.00 0.00 -0.43 0.00 -0.56 0.00 0.00 56.30 55.31 1nf2 h ASN 550 Cb 0.50 0.00 0.06 0.00 -1.06 0.00 0.00 38.32 37.81 1nf2 h ASN 550 CO 0.00 0.81 0.04 0.47 -1.06 0.00 0.00 177.43 177.69 1nf2 n ASP 551 N -3.26 1.52 -3.93 5.81 8.00 -0.91 -4.97 116.55 118.82 1nf2 n ASP 551 Ca -0.01 -2.19 -0.43 0.00 0.71 0.00 0.00 54.79 52.87 1nf2 n ASP 551 Cb 0.88 -0.51 0.01 0.00 -0.02 0.00 0.00 41.12 41.47 1nf2 n ASP 551 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1nf2 n SER 552 N -2.70 6.12 -0.26 -2.24 7.64 -1.26 -4.72 113.62 116.20 1nf2 n SER 552 Ca 0.15 -3.33 0.05 0.00 1.01 0.00 0.00 58.87 56.75 1nf2 n SER 552 Cb 0.54 -1.33 0.19 0.00 -1.01 0.00 0.00 64.21 62.61 1nf2 n SER 552 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1nf2 h GLY 553 N 6.11 1.18 0.82 0.23 0.00 -1.54 -1.74 103.07 108.12 1nf2 h GLY 553 Ca 0.29 -0.16 -0.00 0.00 0.00 0.00 0.00 47.33 47.45 1nf2 h GLY 553 CO 1.43 -0.09 -0.19 -2.08 0.00 0.00 0.00 176.54 175.60 1nf2 h VAL 554 N 0.47 0.58 -0.80 4.60 2.07 -1.85 -2.86 116.25 118.47 1nf2 h VAL 554 Ca 0.42 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.95 1nf2 h VAL 554 Cb 0.63 0.58 -0.04 0.00 -1.52 0.00 0.00 31.29 30.94 1nf2 h VAL 554 CO -0.39 0.00 0.53 0.28 0.02 0.00 0.00 177.57 178.00 1nf2 h SER 555 N -0.45 0.91 -0.96 0.57 0.02 -1.83 -0.97 113.55 110.84 1nf2 h SER 555 Ca -0.01 -0.02 0.20 0.00 -0.84 0.00 0.00 61.79 61.12 1nf2 h SER 555 Cb 0.40 -0.22 -0.11 0.00 0.14 0.00 0.00 62.40 62.60 1nf2 h SER 555 CO -0.02 0.65 0.54 0.22 -1.14 0.00 0.00 176.83 177.08 1nf2 h TYR 556 N 1.07 0.93 0.17 3.45 5.03 -1.09 -0.04 116.97 126.49 1nf2 h TYR 556 Ca 0.30 0.04 -0.35 0.00 2.58 0.00 0.00 58.73 61.29 1nf2 h TYR 556 Cb -0.10 -0.27 0.00 0.00 1.55 0.00 0.00 36.73 37.91 1nf2 h TYR 556 CO -0.00 0.14 -1.78 0.28 -1.32 0.00 0.00 178.16 175.49 1nf2 h VAL 557 N 0.64 0.90 -0.61 1.81 2.07 -1.44 -3.35 116.25 116.27 1nf2 h VAL 557 Ca 0.57 -2.51 0.11 0.00 0.82 0.00 0.00 66.70 65.69 1nf2 h VAL 557 Cb 0.94 2.71 -0.04 0.00 -1.52 0.00 0.00 31.29 33.39 1nf2 h VAL 557 CO -0.42 0.86 0.41 0.25 0.02 0.00 0.00 177.57 178.69 1nf2 h LEU 558 N 0.10 0.33 -0.96 2.57 5.85 -0.44 -0.12 115.31 122.63 1nf2 h LEU 558 Ca -0.35 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.38 1nf2 h LEU 558 Cb 2.08 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 43.05 1nf2 h LEU 558 CO 0.16 0.19 0.00 -0.33 -0.34 0.00 0.00 178.44 178.12 1nf2 h GLU 559 N 0.37 0.00 0.00 1.25 5.08 -1.17 -3.30 114.58 116.81 1nf2 h GLU 559 Ca 0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 1nf2 h GLU 559 Cb 0.63 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.88 1nf2 h GLU 559 CO -0.08 0.00 -0.83 0.54 -1.00 0.00 0.00 179.01 177.65 1nf2 n ARG 560 N -2.75 2.52 -2.30 2.33 5.12 -0.13 -5.05 116.66 116.40 1nf2 n ARG 560 Ca 0.02 -0.03 -0.39 0.00 -1.93 0.00 0.00 57.85 55.52 1nf2 n ARG 560 Cb 0.31 -1.03 -0.02 0.00 -1.16 0.00 0.00 32.46 30.56 1nf2 n ARG 560 CO 0.00 0.00 0.00 0.96 -1.93 0.00 0.00 177.63 176.66 1nf2 s ILE 561 N -2.13 3.15 -0.14 0.55 -0.00 -0.75 -4.94 121.20 116.95 1nf2 s ILE 561 Ca 0.00 1.01 -0.29 0.00 -0.00 0.00 0.00 60.65 61.37 1nf2 s ILE 561 Cb 0.06 -3.58 -0.05 0.00 -0.00 0.00 0.00 42.46 38.89 1nf2 s ILE 561 CO 0.34 0.13 1.80 -0.44 -0.00 0.00 0.00 174.94 176.77 1nf2 s SER 562 N -1.04 6.29 -0.01 4.36 0.01 -1.26 -4.95 113.70 117.10 1nf2 s SER 562 Ca 0.55 1.99 -0.21 0.00 1.31 0.00 0.00 55.95 59.58 1nf2 s SER 562 Cb -0.32 -2.53 0.04 0.00 0.21 0.00 0.00 66.02 63.43 1nf2 s SER 562 CO 0.40 -1.28 0.46 0.28 0.41 0.00 0.00 173.24 173.52 1nf2 s THR 563 N 5.37 0.04 -2.14 1.44 -1.32 -1.26 -1.60 115.64 116.17 1nf2 s THR 563 Ca 0.80 -0.30 0.21 0.00 -1.21 0.00 0.00 61.69 61.19 1nf2 s THR 563 Cb -0.31 -0.82 0.42 0.00 -1.51 0.00 0.00 72.50 70.28 1nf2 s THR 563 CO 0.33 -0.17 1.37 -0.67 -2.21 0.00 0.00 174.62 173.27 1nf2 n ASP 564 N 0.97 3.39 0.25 8.08 2.03 -1.26 -4.59 116.55 125.42 1nf2 n ASP 564 Ca -0.20 -1.96 0.14 0.00 0.52 0.00 0.00 54.79 53.29 1nf2 n ASP 564 Cb 0.57 -0.27 0.59 0.00 -0.72 0.00 0.00 41.12 41.29 1nf2 n ASP 564 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1nf2 n LEU 566 N -3.25 2.64 0.00 0.00 4.77 -1.26 -4.63 117.00 115.27 1nf2 n LEU 566 Ca 0.00 -1.60 0.00 0.00 -0.03 0.00 0.00 56.01 54.38 1nf2 n LEU 566 Cb 0.36 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 1nf2 n LEU 566 CO 0.30 0.61 0.00 0.47 -1.33 0.00 0.00 177.39 177.44