#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hkl n PRO 310 N 0.00 1.60 -4.27 1.61 -0.02 -1.26 -4.63 135.00 128.02 3hkl n PRO 310 Ca 0.00 0.57 -0.22 0.00 -2.02 0.00 0.00 63.50 61.83 3hkl n PRO 310 Cb 0.00 -2.18 -0.12 0.00 -0.02 0.00 0.00 33.50 31.18 3hkl n PRO 310 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3hkl s ARG 311 N -2.07 1.03 0.00 -0.52 0.52 -1.26 -0.95 118.95 115.70 3hkl s ARG 311 Ca 0.62 -1.07 0.00 0.00 -0.52 0.00 0.00 55.73 54.76 3hkl s ARG 311 Cb -0.54 -1.20 0.00 0.00 0.52 0.00 0.00 34.95 33.72 3hkl s ARG 311 CO 0.57 0.28 0.00 0.41 0.02 0.00 0.00 175.30 176.58 3hkl n GLY 312 N 1.21 2.06 0.25 -3.53 0.00 -0.34 -4.69 105.19 100.15 3hkl n GLY 312 Ca -0.20 -0.99 0.05 0.00 0.00 0.00 0.00 46.02 44.88 3hkl n GLY 312 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 3hkl h SER 313 N 0.00 0.12 -0.01 1.61 0.87 -2.01 -3.18 113.55 110.96 3hkl h SER 313 Ca 0.00 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 3hkl h SER 313 Cb 0.00 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 61.93 3hkl h SER 313 CO 0.00 0.21 -0.40 0.29 -0.53 0.00 0.00 176.83 176.40 3hkl n LYS 314 N -4.39 2.41 -3.64 2.24 4.76 -1.26 -4.94 118.16 113.33 3hkl n LYS 314 Ca -0.01 -0.39 0.00 0.00 -2.87 0.00 0.00 58.31 55.04 3hkl n LYS 314 Cb 0.18 -1.12 0.00 0.00 -1.84 0.00 0.00 35.03 32.25 3hkl n LYS 314 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3hkl n GLY 315 N 1.13 -1.52 3.37 0.72 0.00 -1.20 -2.35 105.19 105.33 3hkl n GLY 315 Ca 0.04 -1.10 -0.10 0.00 0.00 0.00 0.00 46.02 44.86 3hkl n GLY 315 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3hkl s TYR 316 N -2.80 0.09 -0.10 1.61 1.13 -0.68 -1.20 117.35 115.39 3hkl s TYR 316 Ca 0.00 -0.45 -0.01 0.00 -1.41 0.00 0.00 57.07 55.20 3hkl s TYR 316 Cb 0.00 0.14 -0.03 0.00 -1.10 0.00 0.00 41.96 40.97 3hkl s TYR 316 CO 0.00 -0.74 -0.06 0.00 -2.51 0.00 0.00 175.55 172.24 3hkl s ALA 318 N -0.33 -1.35 0.38 0.00 0.00 -0.50 -3.35 121.76 116.60 3hkl s ALA 318 Ca 0.05 0.18 -0.25 0.00 0.00 0.00 0.00 51.96 51.94 3hkl s ALA 318 Cb -0.12 0.86 -0.09 0.00 0.00 0.00 0.00 23.12 23.76 3hkl s ALA 318 CO 0.02 -0.80 1.09 -0.65 0.00 0.00 0.00 175.76 175.42 3hkl s GLN 319 N -3.80 4.23 0.13 0.00 -0.21 -1.26 -0.08 119.66 118.67 3hkl s GLN 319 Ca 0.04 1.64 -0.31 0.00 0.02 0.00 0.00 55.36 56.75 3hkl s GLN 319 Cb -0.01 -2.70 -0.09 0.00 1.00 0.00 0.00 33.01 31.21 3hkl s GLN 319 CO -0.08 -0.11 1.46 -0.47 -2.12 0.00 0.00 175.29 173.97 3hkl s TYR 320 N -1.50 3.16 -1.18 0.91 5.04 -1.26 -4.90 117.35 117.62 3hkl s TYR 320 Ca 0.55 0.82 0.10 0.00 -2.44 0.00 0.00 57.07 56.09 3hkl s TYR 320 Cb -0.26 -3.78 0.08 0.00 0.35 0.00 0.00 41.96 38.35 3hkl s TYR 320 CO 0.33 -2.80 0.81 0.54 -1.34 0.00 0.00 175.55 173.09 3hkl n ARG 321 N 4.01 0.40 -1.82 4.97 1.74 -1.26 -5.04 116.66 119.66 3hkl n ARG 321 Ca 0.12 -1.10 -0.19 0.00 -0.77 0.00 0.00 57.85 55.92 3hkl n ARG 321 Cb 0.41 -1.18 0.12 0.00 -1.02 0.00 0.00 32.46 30.78 3hkl n ARG 321 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hkl n GLY 322 N 0.53 -0.16 0.01 -0.13 0.00 -1.26 -5.06 105.19 99.12 3hkl n GLY 322 Ca 0.06 -1.89 0.03 0.00 0.00 0.00 0.00 46.02 44.22 3hkl n GLY 322 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3hkl n GLU 323 N -2.67 0.49 0.05 1.61 0.28 -1.26 -4.55 120.64 114.58 3hkl n GLU 323 Ca 0.12 -0.05 -0.12 0.00 -0.16 0.00 0.00 57.16 56.95 3hkl n GLU 323 Cb 0.44 -1.15 -0.07 0.00 1.43 0.00 0.00 31.44 32.08 3hkl n GLU 323 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 3hkl h VAL 324 N 0.00 1.00 -0.54 3.84 2.07 -1.97 -3.11 116.25 117.55 3hkl h VAL 324 Ca -0.02 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.37 3hkl h VAL 324 Cb 0.41 1.09 0.00 0.00 -1.52 0.00 0.00 31.29 31.27 3hkl h VAL 324 CO 0.00 0.03 0.00 0.00 0.02 0.00 0.00 177.57 177.63 3hkl h ASP 326 N 3.16 0.04 1.28 0.00 3.58 -1.78 -1.47 116.42 121.23 3hkl h ASP 326 Ca 0.00 0.09 0.00 0.00 0.42 0.00 0.00 57.03 57.54 3hkl h ASP 326 Cb 0.73 0.12 0.00 0.00 1.72 0.00 0.00 39.33 41.90 3hkl h ASP 326 CO 0.00 0.04 0.00 0.00 -2.88 0.00 0.00 179.24 176.41 3hkl h ALA 327 N 1.40 1.00 0.04 -0.78 0.00 -1.83 -3.30 119.26 115.80 3hkl h ALA 327 Ca 0.27 0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.90 3hkl h ALA 327 Cb 0.36 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 3hkl h ALA 327 CO -0.33 0.00 -1.53 0.28 0.00 0.00 0.00 179.25 177.67 3hkl n VAL 328 N -2.79 1.62 -2.61 0.00 0.31 -0.77 -4.94 118.33 109.15 3hkl n VAL 328 Ca 0.03 -0.25 -0.38 0.00 -0.01 0.00 0.00 64.34 63.73 3hkl n VAL 328 Cb 0.37 -1.94 -0.05 0.00 -0.91 0.00 0.00 33.84 31.31 3hkl n VAL 328 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3hkl s LEU 329 N -7.59 4.40 0.14 7.52 1.43 -0.62 -4.98 118.68 118.98 3hkl s LEU 329 Ca -0.27 2.05 -0.31 0.00 -1.03 0.00 0.00 54.13 54.57 3hkl s LEU 329 Cb 0.06 -3.88 -0.10 0.00 0.03 0.00 0.00 46.19 42.30 3hkl s LEU 329 CO 0.65 -0.18 1.72 -0.69 0.23 0.00 0.00 176.35 178.08 3hkl s VAL 330 N -1.42 2.52 0.22 -1.59 1.01 -1.26 -4.90 120.40 114.99 3hkl s VAL 330 Ca 0.49 0.20 -0.12 0.00 0.00 0.00 0.00 61.98 62.55 3hkl s VAL 330 Cb -0.25 -3.13 0.26 0.00 0.00 0.00 0.00 36.38 33.27 3hkl s VAL 330 CO 0.32 0.01 1.62 0.07 0.00 0.00 0.00 175.10 177.11 3hkl h LYS 331 N 7.78 0.01 -0.43 2.72 -0.00 -1.94 -1.57 116.57 123.14 3hkl h LYS 331 Ca -0.44 -0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.21 3hkl h LYS 331 Cb 1.21 -0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.44 3hkl h LYS 331 CO 0.94 0.01 0.00 -0.40 -0.00 0.00 0.00 179.45 180.00 3hkl n ASP 332 N -5.44 3.56 -4.78 7.07 5.75 -1.26 -4.84 116.55 116.60 3hkl n ASP 332 Ca 0.09 -2.00 -0.33 0.00 -0.01 0.00 0.00 54.79 52.54 3hkl n ASP 332 Cb 0.36 -0.28 0.04 0.00 -1.03 0.00 0.00 41.12 40.20 3hkl n ASP 332 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 3hkl s SER 333 N -1.43 5.27 -0.07 -1.12 1.04 -0.59 -4.94 113.70 111.86 3hkl s SER 333 Ca 0.40 2.00 -0.13 0.00 0.48 0.00 0.00 55.95 58.69 3hkl s SER 333 Cb 0.23 -2.55 -0.05 0.00 0.10 0.00 0.00 66.02 63.75 3hkl s SER 333 CO 0.32 -1.52 0.34 -0.76 0.98 0.00 0.00 173.24 172.60 3hkl s LEU 334 N -4.70 4.39 0.20 2.42 1.43 -1.26 -4.26 118.68 116.91 3hkl s LEU 334 Ca 0.67 0.77 0.10 0.00 -1.03 0.00 0.00 54.13 54.64 3hkl s LEU 334 Cb -0.20 -2.46 -0.04 0.00 0.03 0.00 0.00 46.19 43.52 3hkl s LEU 334 CO 0.39 0.27 -0.20 0.68 0.23 0.00 0.00 176.35 177.72 3hkl s VAL 335 N -0.60 2.12 -0.02 -1.59 -7.23 0.89 -1.22 120.40 112.74 3hkl s VAL 335 Ca 0.21 -2.08 -0.24 0.00 -1.81 0.00 0.00 61.98 58.06 3hkl s VAL 335 Cb -0.15 -2.04 -0.04 0.00 0.56 0.00 0.00 36.38 34.70 3hkl s VAL 335 CO 0.09 -0.29 0.71 0.12 -0.31 0.00 0.00 175.10 175.42 3hkl s PHE 336 N -2.10 3.65 -0.13 2.82 5.36 0.24 -1.41 117.98 126.40 3hkl s PHE 336 Ca 0.21 1.32 0.02 0.00 -0.96 0.00 0.00 56.93 57.52 3hkl s PHE 336 Cb -0.06 -2.78 0.00 0.00 -0.34 0.00 0.00 43.02 39.84 3hkl s PHE 336 CO 0.09 0.19 -0.20 -0.06 -1.46 0.00 0.00 175.22 173.79 3hkl s PHE 337 N 0.37 2.68 -0.49 10.12 0.40 0.55 -4.46 117.98 127.15 3hkl s PHE 337 Ca 0.37 -1.07 -0.20 0.00 -0.60 0.00 0.00 56.93 55.43 3hkl s PHE 337 Cb -0.19 -1.80 0.05 0.00 0.51 0.00 0.00 43.02 41.58 3hkl s PHE 337 CO 0.20 -0.46 0.66 1.21 0.70 0.00 0.00 175.22 177.53 3hkl s ASN 338 N 0.59 6.26 0.00 1.36 3.84 -1.26 -1.69 114.94 124.04 3hkl s ASN 338 Ca -0.11 -0.70 0.06 0.00 0.21 0.00 0.00 52.86 52.32 3hkl s ASN 338 Cb -0.16 -2.31 0.34 0.00 -0.55 0.00 0.00 41.25 38.57 3hkl s ASN 338 CO 0.03 -0.89 1.22 0.35 -2.79 0.00 0.00 177.10 175.03 3hkl n THR 339 N 5.73 0.01 0.30 -5.21 -2.24 -0.99 -1.81 114.28 110.07 3hkl n THR 339 Ca -0.04 -0.01 0.19 0.00 -2.27 0.00 0.00 64.05 61.92 3hkl n THR 339 Cb 0.46 -0.08 0.94 0.00 -2.10 0.00 0.00 70.33 69.55 3hkl n THR 339 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 3hkl h SER 340 N 0.05 0.00 -2.99 3.42 0.02 -1.92 -3.45 113.55 108.68 3hkl h SER 340 Ca 0.00 0.00 -0.61 0.00 -0.84 0.00 0.00 61.79 60.34 3hkl h SER 340 Cb 0.01 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 62.46 3hkl h SER 340 CO 0.00 0.02 -0.61 -0.31 -1.14 0.00 0.00 176.83 174.79 3hkl s TYR 341 N -3.99 3.07 0.16 3.45 2.02 -0.75 -5.10 117.35 116.22 3hkl s TYR 341 Ca -0.02 -0.02 -0.28 0.00 -0.37 0.00 0.00 57.07 56.38 3hkl s TYR 341 Cb 0.12 -1.52 -0.07 0.00 -0.40 0.00 0.00 41.96 40.08 3hkl s TYR 341 CO 0.49 0.51 0.89 -1.25 -1.57 0.00 0.00 175.55 174.62 3hkl s PRO 342 N -2.73 4.70 -1.13 -1.71 0.05 -1.26 -3.96 135.00 128.97 3hkl s PRO 342 Ca 0.29 1.35 -0.27 0.00 0.05 0.00 0.00 61.00 62.42 3hkl s PRO 342 Cb -0.11 -3.31 0.03 0.00 0.05 0.00 0.00 34.50 31.16 3hkl s PRO 342 CO 0.21 0.41 0.68 -3.47 0.05 0.00 0.00 177.00 174.89 3hkl n ASP 343 N 2.06 -4.45 -0.15 6.66 -0.08 -1.26 -4.48 116.55 114.84 3hkl n ASP 343 Ca -0.02 -1.20 0.13 0.00 -1.51 0.00 0.00 54.79 52.19 3hkl n ASP 343 Cb 0.48 -1.88 0.47 0.00 2.34 0.00 0.00 41.12 42.53 3hkl n ASP 343 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3hkl h PRO 344 N -2.10 0.47 -0.69 -0.67 0.13 -1.82 -0.61 132.00 126.72 3hkl h PRO 344 Ca -0.69 -0.03 -0.04 0.00 -0.87 0.00 0.00 66.00 64.37 3hkl h PRO 344 Cb 1.40 -0.11 -0.03 0.00 0.13 0.00 0.00 31.00 32.39 3hkl h PRO 344 CO 0.48 0.31 0.27 0.93 -0.23 0.00 0.00 178.00 179.77 3hkl h GLU 345 N 0.49 1.03 -0.18 0.86 5.08 -1.93 0.22 114.58 120.14 3hkl h GLU 345 Ca 0.34 -0.19 -0.05 0.00 -1.00 0.00 0.00 59.36 58.46 3hkl h GLU 345 Cb 0.66 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 3hkl h GLU 345 CO -0.11 0.86 -0.07 0.93 -1.00 0.00 0.00 179.01 179.61 3hkl h GLU 346 N 0.98 0.38 -0.27 2.33 4.39 -1.49 -2.51 114.58 118.39 3hkl h GLU 346 Ca 0.23 -0.16 -0.01 0.00 0.34 0.00 0.00 59.36 59.76 3hkl h GLU 346 Cb 0.22 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.84 3hkl h GLU 346 CO -0.02 0.66 0.12 0.00 -1.16 0.00 0.00 179.01 178.61 3hkl h ALA 347 N 0.70 0.35 -0.75 3.43 0.00 -1.12 0.15 119.26 122.01 3hkl h ALA 347 Ca 0.04 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 3hkl h ALA 347 Cb 0.54 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 3hkl h ALA 347 CO 0.02 -0.08 0.39 1.96 0.00 0.00 0.00 179.25 181.55 3hkl h GLN 348 N 0.29 1.05 -0.37 0.00 4.20 -1.05 -0.98 115.11 118.26 3hkl h GLN 348 Ca 0.09 -0.13 -0.15 0.00 0.06 0.00 0.00 58.65 58.52 3hkl h GLN 348 Cb 0.15 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 27.72 3hkl h GLN 348 CO -0.01 0.79 -0.36 1.49 -0.67 0.00 0.00 178.83 180.07 3hkl h GLU 349 N 1.06 0.88 -0.68 1.46 4.57 -1.07 -1.40 114.58 119.39 3hkl h GLU 349 Ca 0.26 -0.44 -0.06 0.00 -1.18 0.00 0.00 59.36 57.95 3hkl h GLU 349 Cb 0.05 0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 28.62 3hkl h GLU 349 CO -0.04 1.09 0.21 1.25 -1.18 0.00 0.00 179.01 180.33 3hkl h LEU 350 N 0.72 1.00 -0.02 1.64 5.85 -0.75 -2.35 115.31 121.40 3hkl h LEU 350 Ca 0.07 -0.21 -0.00 0.00 0.84 0.00 0.00 57.88 58.57 3hkl h LEU 350 Cb 0.93 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 41.70 3hkl h LEU 350 CO 0.09 0.95 0.01 0.25 -0.34 0.00 0.00 178.44 179.40 3hkl h LEU 351 N 1.00 0.03 -0.97 2.25 5.85 -1.02 -2.69 115.31 119.77 3hkl h LEU 351 Ca 0.22 -0.14 -0.04 0.00 0.84 0.00 0.00 57.88 58.76 3hkl h LEU 351 Cb 0.31 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.30 3hkl h LEU 351 CO -0.01 0.16 0.26 -0.29 -0.34 0.00 0.00 178.44 178.22 3hkl h ILE 352 N -0.10 1.24 -0.07 4.05 6.09 -1.22 -0.03 117.51 127.47 3hkl h ILE 352 Ca 0.01 -0.76 0.04 0.00 -1.37 0.00 0.00 64.86 62.78 3hkl h ILE 352 Cb 0.14 0.45 -0.06 0.00 0.47 0.00 0.00 36.82 37.82 3hkl h ILE 352 CO -0.00 0.30 -0.36 0.45 -3.07 0.00 0.00 178.15 175.47 3hkl h HIS 353 N 0.98 -1.01 -0.65 2.19 3.86 -1.38 0.59 115.15 119.72 3hkl h HIS 353 Ca 0.23 0.04 -0.07 0.00 -1.16 0.00 0.00 60.37 59.40 3hkl h HIS 353 Cb 0.21 0.46 -0.03 0.00 1.06 0.00 0.00 27.41 29.11 3hkl h HIS 353 CO 0.02 -0.44 0.11 1.15 0.86 0.00 0.00 177.93 179.63 3hkl h THR 354 N -0.48 1.26 -0.25 2.45 2.02 -1.11 -2.07 112.91 114.73 3hkl h THR 354 Ca 0.07 -1.00 0.00 0.00 0.77 0.00 0.00 66.41 66.25 3hkl h THR 354 Cb 0.59 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 67.63 3hkl h THR 354 CO -0.33 0.38 0.17 0.00 0.37 0.00 0.00 175.52 176.10 3hkl h ALA 355 N 1.12 0.32 -0.50 6.16 0.00 -0.79 -2.66 119.26 122.91 3hkl h ALA 355 Ca 0.20 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 3hkl h ALA 355 Cb 0.41 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 3hkl h ALA 355 CO 0.01 -0.20 0.16 -1.49 0.00 0.00 0.00 179.25 177.74 3hkl h TRP 356 N 0.34 0.75 -0.36 0.00 4.06 -0.62 -2.46 115.95 117.65 3hkl h TRP 356 Ca 0.09 -0.05 -0.07 0.00 2.06 0.00 0.00 58.89 60.92 3hkl h TRP 356 Cb -0.03 -0.23 -0.02 0.00 -1.00 0.00 0.00 29.16 27.89 3hkl h TRP 356 CO -0.06 0.61 -0.09 -0.97 -3.56 0.00 0.00 178.44 174.37 3hkl h ASN 357 N 0.73 0.59 0.73 -3.49 -1.24 -1.25 -2.27 115.58 109.38 3hkl h ASN 357 Ca 0.17 -0.15 -0.03 0.00 0.71 0.00 0.00 56.30 57.00 3hkl h ASN 357 Cb 0.20 -0.16 -0.00 0.00 0.73 0.00 0.00 38.32 39.09 3hkl h ASN 357 CO -0.01 0.72 -0.12 -0.33 -1.29 0.00 0.00 177.43 176.40 3hkl h GLU 358 N 0.56 0.00 0.00 6.67 4.39 -1.10 -2.87 114.58 122.24 3hkl h GLU 358 Ca 0.11 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.81 3hkl h GLU 358 Cb 0.49 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.14 3hkl h GLU 358 CO 0.03 0.12 0.00 1.28 -1.16 0.00 0.00 179.01 179.28 3hkl n LEU 359 N -3.36 0.00 0.28 1.33 4.77 -0.85 -2.71 117.00 116.45 3hkl n LEU 359 Ca -0.01 0.17 0.16 0.00 -0.03 0.00 0.00 56.01 56.30 3hkl n LEU 359 Cb 0.32 -0.17 0.77 0.00 -2.33 0.00 0.00 43.42 42.01 3hkl n LEU 359 CO 0.30 -0.01 1.00 0.11 -1.33 0.00 0.00 177.39 177.46 3hkl h LYS 360 N 0.00 0.00 0.00 3.23 1.57 -1.55 -2.99 116.57 116.82 3hkl h LYS 360 Ca 0.00 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.69 3hkl h LYS 360 Cb 0.15 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 3hkl h LYS 360 CO 0.00 0.06 -0.43 0.00 -0.57 0.00 0.00 179.45 178.51 3hkl h ALA 361 N 1.94 0.74 -2.44 3.86 0.00 -1.74 -3.47 119.26 118.15 3hkl h ALA 361 Ca -0.00 -0.39 -0.49 0.00 0.00 0.00 0.00 54.91 54.03 3hkl h ALA 361 Cb 0.41 -0.07 0.07 0.00 0.00 0.00 0.00 17.79 18.21 3hkl h ALA 361 CO 0.01 0.54 0.36 0.14 0.00 0.00 0.00 179.25 180.30 3hkl s VAL 362 N -3.04 3.45 0.79 0.00 -7.23 -1.13 -5.05 120.40 108.19 3hkl s VAL 362 Ca 0.04 0.36 -0.13 0.00 -1.81 0.00 0.00 61.98 60.44 3hkl s VAL 362 Cb 0.08 -3.45 0.07 0.00 0.56 0.00 0.00 36.38 33.64 3hkl s VAL 362 CO 0.73 -0.57 1.16 -0.94 -0.31 0.00 0.00 175.10 175.18 3hkl s SER 363 N -4.36 3.90 0.48 4.85 1.04 -1.26 -4.78 113.70 113.57 3hkl s SER 363 Ca 0.57 2.20 0.15 0.00 0.48 0.00 0.00 55.95 59.36 3hkl s SER 363 Cb -0.11 -2.57 1.14 0.00 0.10 0.00 0.00 66.02 64.59 3hkl s SER 363 CO 0.50 -2.45 2.07 -0.65 0.98 0.00 0.00 173.24 173.69 3hkl h PRO 364 N -0.88 0.21 -0.09 4.02 0.11 -1.96 -1.74 132.00 131.65 3hkl h PRO 364 Ca -0.46 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.63 3hkl h PRO 364 Cb 1.27 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 3hkl h PRO 364 CO 0.48 0.14 -0.00 1.25 -0.21 0.00 0.00 178.00 179.65 3hkl h LEU 365 N 0.21 0.16 -0.51 2.35 5.85 -1.92 -3.32 115.31 118.14 3hkl h LEU 365 Ca 0.13 -0.32 -0.08 0.00 0.84 0.00 0.00 57.88 58.44 3hkl h LEU 365 Cb 0.24 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 3hkl h LEU 365 CO -0.02 0.44 -0.01 0.00 -0.34 0.00 0.00 178.44 178.51 3hkl h ARG 367 N 0.77 -0.46 0.00 0.00 2.43 -1.43 -1.08 114.38 114.62 3hkl h ARG 367 Ca 0.14 0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.31 3hkl h ARG 367 Cb 0.54 0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 30.19 3hkl h ARG 367 CO 0.03 -0.30 -0.17 -1.35 -1.51 0.00 0.00 179.97 176.67 3hkl h PRO 368 N -0.47 0.00 -0.06 0.20 0.11 -1.77 -0.49 132.00 129.51 3hkl h PRO 368 Ca 0.08 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 66.05 3hkl h PRO 368 Cb 0.62 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.74 3hkl h PRO 368 CO -0.41 0.17 -0.52 0.00 -0.21 0.00 0.00 178.00 177.02 3hkl h ALA 369 N 1.83 0.14 -0.53 -0.75 0.00 -1.54 -2.51 119.26 115.90 3hkl h ALA 369 Ca -0.00 -0.52 -0.10 0.00 0.00 0.00 0.00 54.91 54.28 3hkl h ALA 369 Cb 0.32 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3hkl h ALA 369 CO 0.02 0.35 -0.07 0.00 0.00 0.00 0.00 179.25 179.55 3hkl h ALA 370 N 0.41 0.73 -0.20 0.00 0.00 -1.05 -0.80 119.26 118.35 3hkl h ALA 370 Ca -0.05 -0.33 0.04 0.00 0.00 0.00 0.00 54.91 54.57 3hkl h ALA 370 Cb 1.19 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.75 3hkl h ALA 370 CO 0.11 0.61 -0.07 0.93 0.00 0.00 0.00 179.25 180.83 3hkl h GLU 371 N 0.86 -0.02 -0.46 0.00 5.08 -1.16 0.72 114.58 119.60 3hkl h GLU 371 Ca 0.14 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.46 3hkl h GLU 371 Cb 0.63 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.86 3hkl h GLU 371 CO 0.04 -0.02 0.10 0.00 -1.00 0.00 0.00 179.01 178.14 3hkl h ALA 372 N 1.17 0.60 -0.18 3.43 0.00 -1.31 -1.43 119.26 121.54 3hkl h ALA 372 Ca 0.10 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3hkl h ALA 372 Cb 0.18 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3hkl h ALA 372 CO -0.22 0.29 0.12 1.25 0.00 0.00 0.00 179.25 180.69 3hkl h LEU 373 N 0.61 0.21 -1.01 0.00 5.85 -0.98 0.84 115.31 120.81 3hkl h LEU 373 Ca 0.14 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.85 3hkl h LEU 373 Cb 0.33 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.27 3hkl h LEU 373 CO 0.00 0.16 0.60 -0.07 -0.34 0.00 0.00 178.44 178.80 3hkl h LEU 374 N 0.23 1.12 -0.17 2.25 3.38 -0.73 0.42 115.31 121.81 3hkl h LEU 374 Ca 0.06 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 3hkl h LEU 374 Cb -0.02 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.45 3hkl h LEU 374 CO -0.01 0.83 0.00 0.00 0.09 0.00 0.00 178.44 179.35 3hkl h ASN 376 N 0.06 0.00 0.31 0.00 2.35 -0.63 -0.69 115.58 116.98 3hkl h ASN 376 Ca 0.05 0.00 -0.33 0.00 -0.55 0.00 0.00 56.30 55.47 3hkl h ASN 376 Cb 0.37 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.72 3hkl h ASN 376 CO 0.01 0.27 -1.75 -0.74 -1.65 0.00 0.00 177.43 173.57 3hkl h HIS 377 N 0.00 0.43 0.00 1.19 2.76 -0.85 -3.31 115.15 115.36 3hkl h HIS 377 Ca -0.00 -0.31 0.00 0.00 -2.20 0.00 0.00 60.37 57.86 3hkl h HIS 377 Cb 0.76 -0.02 0.00 0.00 1.55 0.00 0.00 27.41 29.71 3hkl h HIS 377 CO 0.00 1.50 -0.50 -0.07 -1.30 0.00 0.00 177.93 177.56 3hkl h LEU 378 N 0.06 0.00 -6.79 0.26 3.38 -0.90 -3.38 115.31 107.94 3hkl h LEU 378 Ca -0.33 -0.01 -0.61 0.00 0.09 0.00 0.00 57.88 57.03 3hkl h LEU 378 Cb 2.04 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 42.38 3hkl h LEU 378 CO 0.13 0.01 -0.74 -0.36 0.09 0.00 0.00 178.44 177.56 3hkl s PHE 379 N -3.28 2.54 -0.05 1.13 0.40 -0.27 -4.96 117.98 113.49 3hkl s PHE 379 Ca 0.04 -2.91 -0.30 0.00 -0.60 0.00 0.00 56.93 53.15 3hkl s PHE 379 Cb 0.08 -1.97 -0.02 0.00 0.51 0.00 0.00 43.02 41.62 3hkl s PHE 379 CO 0.73 -0.66 1.00 -0.65 0.70 0.00 0.00 175.22 176.33 3hkl s GLN 380 N -0.81 4.49 0.39 0.44 -0.21 -1.25 -4.56 119.66 118.16 3hkl s GLN 380 Ca 0.28 1.41 -0.27 0.00 0.02 0.00 0.00 55.36 56.80 3hkl s GLN 380 Cb -0.02 -3.50 -0.11 0.00 1.00 0.00 0.00 33.01 30.39 3hkl s GLN 380 CO -0.18 -0.18 1.45 -1.91 -2.12 0.00 0.00 175.29 172.36 3hkl n GLU 381 N 4.43 2.53 -3.08 2.91 2.13 -1.26 -0.59 120.64 127.70 3hkl n GLU 381 Ca 0.07 0.89 -0.39 0.00 0.66 0.00 0.00 57.16 58.39 3hkl n GLU 381 Cb 0.50 -2.62 -0.05 0.00 0.27 0.00 0.00 31.44 29.54 3hkl n GLU 381 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3hkl s SER 383 N 0.46 6.46 0.50 0.00 1.04 -0.41 -4.84 113.70 116.91 3hkl s SER 383 Ca 0.36 1.80 -0.23 0.00 0.48 0.00 0.00 55.95 58.36 3hkl s SER 383 Cb -0.18 -2.54 -0.06 0.00 0.10 0.00 0.00 66.02 63.33 3hkl s SER 383 CO 0.18 -0.70 1.36 -2.16 0.98 0.00 0.00 173.24 172.90 3hkl s PRO 384 N -3.45 3.43 0.00 4.02 0.04 -1.26 -4.58 135.00 133.20 3hkl s PRO 384 Ca 0.64 2.25 0.00 0.00 0.04 0.00 0.00 61.00 63.93 3hkl s PRO 384 Cb -0.13 -2.44 0.00 0.00 0.04 0.00 0.00 34.50 31.97 3hkl s PRO 384 CO 0.22 -0.96 0.00 0.41 0.04 0.00 0.00 177.00 176.71 3hkl n GLY 385 N 0.65 1.76 0.11 0.56 0.00 -1.26 -4.97 105.19 102.04 3hkl n GLY 385 Ca 0.08 -1.35 0.12 0.00 0.00 0.00 0.00 46.02 44.87 3hkl n GLY 385 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3hkl h VAL 386 N 1.97 0.00 -2.98 1.61 3.04 -2.02 -3.45 116.25 114.43 3hkl h VAL 386 Ca 0.00 -0.63 -0.60 0.00 -1.01 0.00 0.00 66.70 64.46 3hkl h VAL 386 Cb 0.00 1.43 -0.04 0.00 -2.01 0.00 0.00 31.29 30.67 3hkl h VAL 386 CO 0.00 0.00 -0.42 -0.76 -1.01 0.00 0.00 177.57 175.38 3hkl s LEU 387 N -4.81 4.32 -0.47 3.16 1.43 -1.26 -4.60 118.68 116.44 3hkl s LEU 387 Ca 0.07 0.38 -0.29 0.00 -1.03 0.00 0.00 54.13 53.27 3hkl s LEU 387 Cb 0.11 -3.09 0.02 0.00 0.03 0.00 0.00 46.19 43.25 3hkl s LEU 387 CO 0.67 0.11 1.33 -2.16 0.23 0.00 0.00 176.35 176.53 3hkl s PRO 388 N -2.66 3.55 -0.31 1.29 0.04 -1.26 -4.86 135.00 130.80 3hkl s PRO 388 Ca 0.37 0.69 0.01 0.00 0.04 0.00 0.00 61.00 62.12 3hkl s PRO 388 Cb -0.12 -4.02 0.09 0.00 0.04 0.00 0.00 34.50 30.50 3hkl s PRO 388 CO 0.27 -1.61 0.07 0.99 0.04 0.00 0.00 177.00 176.76 3hkl s THR 389 N 5.29 1.36 0.27 1.26 2.01 -1.26 -4.94 115.64 119.62 3hkl s THR 389 Ca 0.55 -1.65 -0.29 0.00 0.31 0.00 0.00 61.69 60.61 3hkl s THR 389 Cb -0.11 -1.97 -0.09 0.00 0.01 0.00 0.00 72.50 70.33 3hkl s THR 389 CO 0.31 -0.58 1.18 -2.16 -0.69 0.00 0.00 174.62 172.67 3hkl s PRO 390 N 1.38 4.53 -0.18 4.92 0.04 -1.26 -1.29 135.00 143.14 3hkl s PRO 390 Ca 0.08 1.94 -0.20 0.00 0.04 0.00 0.00 61.00 62.86 3hkl s PRO 390 Cb -0.18 -3.17 -0.03 0.00 0.04 0.00 0.00 34.50 31.16 3hkl s PRO 390 CO -0.18 0.03 0.58 -1.64 0.04 0.00 0.00 177.00 175.83 3hkl s MET 391 N -1.27 4.24 0.98 4.56 -1.94 0.73 -4.87 119.30 121.73 3hkl s MET 391 Ca 0.48 0.54 -0.12 0.00 -1.71 0.00 0.00 55.69 54.87 3hkl s MET 391 Cb -0.34 -3.54 0.18 0.00 2.01 0.00 0.00 34.83 33.13 3hkl s MET 391 CO 0.43 -0.13 1.11 -1.25 -0.01 0.00 0.00 175.02 175.17 3hkl s PRO 392 N 1.55 0.55 0.26 2.03 0.04 -1.26 -4.35 135.00 133.82 3hkl s PRO 392 Ca 0.27 0.43 -0.29 0.00 0.04 0.00 0.00 61.00 61.44 3hkl s PRO 392 Cb -0.16 -1.76 -0.10 0.00 0.04 0.00 0.00 34.50 32.53 3hkl s PRO 392 CO 0.11 -2.63 1.29 0.42 0.04 0.00 0.00 177.00 176.22 3hkl s ILE 393 N -3.06 3.03 0.38 0.56 -1.09 -1.26 -0.89 121.20 118.87 3hkl s ILE 393 Ca 0.65 0.94 -0.27 0.00 -2.23 0.00 0.00 60.65 59.74 3hkl s ILE 393 Cb -0.18 -3.60 -0.10 0.00 -1.58 0.00 0.00 42.46 37.01 3hkl s ILE 393 CO 0.56 0.18 1.34 0.00 -1.23 0.00 0.00 174.94 175.80 3hkl h ARG 395 N 2.93 0.41 -0.35 0.00 2.43 -0.84 -1.35 114.38 117.62 3hkl h ARG 395 Ca -0.50 -0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 58.55 3hkl h ARG 395 Cb 1.24 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.68 3hkl h ARG 395 CO 0.64 0.27 -0.18 0.93 -1.51 0.00 0.00 179.97 180.12 3hkl h GLU 396 N 0.43 0.65 0.34 0.20 3.07 -1.91 0.15 114.58 117.51 3hkl h GLU 396 Ca 0.51 -0.23 -0.02 0.00 -0.50 0.00 0.00 59.36 59.13 3hkl h GLU 396 Cb 0.91 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 28.78 3hkl h GLU 396 CO -0.49 0.79 -0.16 -0.92 -1.40 0.00 0.00 179.01 176.83 3hkl h TYR 397 N 0.59 -0.42 -0.13 4.33 5.03 -1.65 -0.51 116.97 124.20 3hkl h TYR 397 Ca 0.09 -0.01 0.04 0.00 2.58 0.00 0.00 58.73 61.44 3hkl h TYR 397 Cb 0.63 0.14 -0.05 0.00 1.55 0.00 0.00 36.73 39.00 3hkl h TYR 397 CO 0.03 -0.21 -0.17 0.00 -1.32 0.00 0.00 178.16 176.49 3hkl h LEU 399 N -0.21 1.07 -0.22 0.00 3.38 -0.71 -0.60 115.31 118.02 3hkl h LEU 399 Ca 0.10 -0.21 0.06 0.00 0.09 0.00 0.00 57.88 57.92 3hkl h LEU 399 Cb 0.36 -0.28 -0.07 0.00 0.09 0.00 0.00 40.66 40.76 3hkl h LEU 399 CO -0.26 1.00 -0.25 0.00 0.09 0.00 0.00 178.44 179.02 3hkl h ALA 400 N 1.13 -0.16 -0.13 1.53 0.00 -0.86 0.51 119.26 121.28 3hkl h ALA 400 Ca 0.23 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 3hkl h ALA 400 Cb 0.33 0.52 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 3hkl h ALA 400 CO -0.00 -0.69 0.03 0.28 0.00 0.00 0.00 179.25 178.87 3hkl h VAL 401 N -0.27 1.20 -0.27 0.00 2.07 -1.22 0.11 116.25 117.88 3hkl h VAL 401 Ca 0.13 -0.63 0.01 0.00 0.82 0.00 0.00 66.70 67.03 3hkl h VAL 401 Cb 0.47 1.37 -0.02 0.00 -1.52 0.00 0.00 31.29 31.60 3hkl h VAL 401 CO -0.38 0.19 0.16 0.50 0.02 0.00 0.00 177.57 178.06 3hkl h LYS 402 N 0.01 0.32 0.00 1.57 3.64 -0.85 0.22 116.57 121.47 3hkl h LYS 402 Ca 0.04 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 3hkl h LYS 402 Cb 0.26 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 3hkl h LYS 402 CO 0.00 0.21 -1.55 0.39 -2.27 0.00 0.00 179.45 176.23 3hkl n GLU 403 N -4.93 0.70 0.01 1.90 1.02 0.18 -2.87 120.64 116.63 3hkl n GLU 403 Ca -0.02 -0.12 -0.01 0.00 -0.02 0.00 0.00 57.16 57.00 3hkl n GLU 403 Cb 0.04 -1.42 -0.00 0.00 -0.02 0.00 0.00 31.44 30.04 3hkl n GLU 403 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3hkl n LEU 404 N -1.93 0.37 -0.18 -4.62 4.77 0.32 -4.47 117.00 111.27 3hkl n LEU 404 Ca -0.01 0.05 -0.10 0.00 -0.03 0.00 0.00 56.01 55.92 3hkl n LEU 404 Cb 0.43 -0.20 0.01 0.00 -2.33 0.00 0.00 43.42 41.32 3hkl n LEU 404 CO 0.39 -0.54 0.77 -0.26 -1.33 0.00 0.00 177.39 176.42 3hkl h PHE 405 N -0.07 1.08 -0.26 -1.77 -1.00 -1.41 -3.27 116.94 110.25 3hkl h PHE 405 Ca 0.00 -0.21 -0.17 0.00 2.81 0.00 0.00 57.97 60.40 3hkl h PHE 405 Cb 0.07 -0.27 -0.12 0.00 3.61 0.00 0.00 35.95 39.23 3hkl h PHE 405 CO -0.03 1.00 -0.43 0.00 -1.61 0.00 0.00 178.31 177.25 3hkl h ALA 407 N 1.25 1.17 -0.40 0.00 0.00 -1.61 0.29 119.26 119.96 3hkl h ALA 407 Ca 0.14 0.09 -0.12 0.00 0.00 0.00 0.00 54.91 55.03 3hkl h ALA 407 Cb 1.27 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 3hkl h ALA 407 CO 0.28 -0.11 -0.22 1.57 0.00 0.00 0.00 179.25 180.78 3hkl h LYS 408 N 0.57 0.80 0.00 0.00 -0.00 -1.88 0.11 116.57 116.17 3hkl h LYS 408 Ca 0.43 -0.32 0.00 0.00 -0.00 0.00 0.00 60.65 60.76 3hkl h LYS 408 Cb 0.59 -0.04 0.00 0.00 -0.00 0.00 0.00 32.23 32.78 3hkl h LYS 408 CO -0.36 0.94 -0.91 0.93 -0.00 0.00 0.00 179.45 180.06 3hkl h GLU 409 N 0.70 0.00 0.00 0.07 3.07 -1.64 -3.37 114.58 113.40 3hkl h GLU 409 Ca 0.10 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.96 3hkl h GLU 409 Cb 0.73 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.64 3hkl h GLU 409 CO 0.06 0.00 0.00 1.87 -1.40 0.00 0.00 179.01 179.54 3hkl n TRP 410 N -2.50 0.00 -0.31 4.33 -0.00 0.92 -2.33 117.44 117.56 3hkl n TRP 410 Ca 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 57.50 57.51 3hkl n TRP 410 Cb 0.52 0.06 0.13 0.00 -0.00 0.00 0.00 31.31 32.02 3hkl n TRP 410 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 177.69 178.94 3hkl h LEU 411 N 0.00 0.89 -0.83 5.87 5.85 -1.37 -2.72 115.31 123.00 3hkl h LEU 411 Ca 0.00 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.60 3hkl h LEU 411 Cb 0.00 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.83 3hkl h LEU 411 CO 0.00 0.59 -0.56 0.00 -0.34 0.00 0.00 178.44 178.13 3hkl h ALA 412 N 1.38 1.02 0.00 1.25 0.00 -0.99 -3.06 119.26 118.86 3hkl h ALA 412 Ca 0.36 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3hkl h ALA 412 Cb 0.08 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3hkl h ALA 412 CO -0.14 0.70 0.00 -1.33 0.00 0.00 0.00 179.25 178.48 3hkl n MET 413 N -3.88 0.01 -1.72 0.00 2.81 -1.04 -4.80 117.12 108.50 3hkl n MET 413 Ca -0.02 0.04 -0.43 0.00 -1.81 0.00 0.00 57.70 55.49 3hkl n MET 413 Cb 0.57 -1.52 -0.02 0.00 -0.71 0.00 0.00 33.22 31.55 3hkl n MET 413 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 3hkl n GLU 414 N -1.54 2.49 -0.98 0.03 1.02 -1.16 -1.46 120.64 119.04 3hkl n GLU 414 Ca 0.06 0.89 0.00 0.00 -0.02 0.00 0.00 57.16 58.09 3hkl n GLU 414 Cb 0.32 -2.65 0.00 0.00 -0.02 0.00 0.00 31.44 29.10 3hkl n GLU 414 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3hkl n GLY 415 N 2.46 0.92 0.16 0.62 0.00 -1.26 -4.80 105.19 103.29 3hkl n GLY 415 Ca 0.11 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.16 3hkl n GLY 415 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3hkl n LYS 416 N -2.06 2.68 0.00 1.61 0.00 -0.54 -4.68 118.16 115.18 3hkl n LYS 416 Ca 0.00 -1.84 0.12 0.00 -0.00 0.00 0.00 58.31 56.59 3hkl n LYS 416 Cb 0.00 -1.17 0.62 0.00 -0.00 0.00 0.00 35.03 34.49 3hkl n LYS 416 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 3hkl n THR 417 N -0.49 0.20 0.24 0.58 -2.24 -1.21 -3.21 114.28 108.15 3hkl n THR 417 Ca 0.06 0.05 0.11 0.00 -2.27 0.00 0.00 64.05 62.00 3hkl n THR 417 Cb 0.38 -0.63 0.60 0.00 -2.10 0.00 0.00 70.33 68.57 3hkl n THR 417 CO 0.00 0.00 0.00 1.12 -0.57 0.00 0.00 175.07 175.62 3hkl h HIS 418 N 0.00 0.00 0.00 4.78 2.07 -1.92 -2.29 115.15 117.79 3hkl h HIS 418 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3hkl h HIS 418 Cb 0.25 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.23 3hkl h HIS 418 CO 0.00 0.18 0.00 0.54 -3.07 0.00 0.00 177.93 175.58 3hkl n ARG 419 N -3.57 0.28 0.00 5.12 3.00 -1.20 -4.92 116.66 115.37 3hkl n ARG 419 Ca -0.01 0.09 0.00 0.00 -0.01 0.00 0.00 57.85 57.92 3hkl n ARG 419 Cb 0.33 -1.50 0.00 0.00 0.00 0.00 0.00 32.46 31.29 3hkl n ARG 419 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3hkl n GLY 420 N 0.50 3.99 0.35 -0.13 0.00 -0.86 -4.73 105.19 104.32 3hkl n GLY 420 Ca 0.10 -1.25 0.01 0.00 0.00 0.00 0.00 46.02 44.87 3hkl n GLY 420 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3hkl h LEU 421 N 0.00 0.87 -0.82 0.99 3.38 -1.92 -1.02 115.31 116.79 3hkl h LEU 421 Ca 0.00 -0.02 -0.11 0.00 0.09 0.00 0.00 57.88 57.84 3hkl h LEU 421 Cb 0.00 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 3hkl h LEU 421 CO 0.00 0.63 -0.51 0.22 0.09 0.00 0.00 178.44 178.87 3hkl h TYR 422 N 1.03 0.00 -0.16 1.13 3.20 -1.93 -2.90 116.97 117.34 3hkl h TYR 422 Ca 0.28 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.15 3hkl h TYR 422 Cb -0.11 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.16 3hkl h TYR 422 CO -0.00 0.51 0.00 0.54 -1.64 0.00 0.00 178.16 177.57 3hkl n ARG 423 N -3.67 1.63 -2.57 1.82 1.74 -0.47 -4.37 116.66 110.77 3hkl n ARG 423 Ca -0.01 -0.94 -0.29 0.00 -0.77 0.00 0.00 57.85 55.84 3hkl n ARG 423 Cb 0.57 -1.36 -0.01 0.00 -1.02 0.00 0.00 32.46 30.64 3hkl n ARG 423 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 3hkl n SER 424 N 0.18 5.10 0.00 0.55 7.64 -0.70 -4.90 113.62 121.49 3hkl n SER 424 Ca 0.15 -3.72 0.00 0.00 1.01 0.00 0.00 58.87 56.31 3hkl n SER 424 Cb 0.28 -0.60 0.00 0.00 -1.01 0.00 0.00 64.21 62.89 3hkl n SER 424 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3hkl n GLY 425 N -0.39 1.28 0.00 0.23 0.00 -1.26 -3.02 105.19 102.02 3hkl n GLY 425 Ca 0.39 0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.81 3hkl n GLY 425 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3hkl n MET 426 N 0.00 0.03 0.17 1.61 1.56 -0.98 -4.85 117.12 114.65 3hkl n MET 426 Ca 0.00 -0.02 0.13 0.00 -0.27 0.00 0.00 57.70 57.55 3hkl n MET 426 Cb 0.00 -0.41 0.49 0.00 2.15 0.00 0.00 33.22 35.45 3hkl n MET 426 CO 0.00 0.00 0.00 0.45 -0.73 0.00 0.00 175.97 175.69 3hkl h HIS 427 N 0.00 0.00 0.00 1.12 -0.00 -1.72 -2.38 115.15 112.17 3hkl h HIS 427 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 3hkl h HIS 427 Cb 0.38 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.79 3hkl h HIS 427 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 177.93 178.20 3hkl h PHE 428 N 0.00 0.00 -3.99 2.45 -0.00 -1.85 -3.47 116.94 110.09 3hkl h PHE 428 Ca 0.00 0.00 -0.51 0.00 -0.00 0.00 0.00 57.97 57.46 3hkl h PHE 428 Cb 0.52 0.00 0.06 0.00 -0.00 0.00 0.00 35.95 36.54 3hkl h PHE 428 CO 0.00 0.00 0.50 -0.51 -0.00 0.00 0.00 178.31 178.30 3hkl s LEU 429 N -5.91 4.05 -1.27 2.10 1.43 -0.90 -4.89 118.68 113.29 3hkl s LEU 429 Ca 0.07 2.34 -0.12 0.00 -1.03 0.00 0.00 54.13 55.38 3hkl s LEU 429 Cb 0.07 -4.18 -0.06 0.00 0.03 0.00 0.00 46.19 42.04 3hkl s LEU 429 CO 0.64 -0.88 2.39 -0.81 0.23 0.00 0.00 176.35 177.92 3hkl n PRO 430 N -0.36 2.71 -3.86 1.29 -0.04 -1.26 -4.90 135.00 128.58 3hkl n PRO 430 Ca 0.07 -2.07 -0.33 0.00 -0.04 0.00 0.00 63.50 61.13 3hkl n PRO 430 Cb 0.47 -2.87 -0.05 0.00 -0.04 0.00 0.00 33.50 31.02 3hkl n PRO 430 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3hkl s VAL 431 N 3.23 5.38 0.70 0.52 -7.23 -1.26 -4.88 120.40 116.86 3hkl s VAL 431 Ca 0.54 -0.15 -0.12 0.00 -1.81 0.00 0.00 61.98 60.45 3hkl s VAL 431 Cb 0.14 -3.57 0.01 0.00 0.56 0.00 0.00 36.38 33.52 3hkl s VAL 431 CO -0.03 0.26 1.07 -2.16 -0.31 0.00 0.00 175.10 173.93 3hkl s PRO 432 N -2.11 2.79 -0.30 4.82 0.04 -1.26 -4.99 135.00 133.99 3hkl s PRO 432 Ca 0.30 1.10 -0.29 0.00 0.04 0.00 0.00 61.00 62.15 3hkl s PRO 432 Cb -0.13 -1.97 0.01 0.00 0.04 0.00 0.00 34.50 32.46 3hkl s PRO 432 CO 0.21 -1.22 1.08 -1.83 0.04 0.00 0.00 177.00 175.27 3hkl s GLU 433 N -4.75 4.11 0.50 4.56 1.03 -1.26 -4.94 118.70 117.96 3hkl s GLU 433 Ca 0.61 1.16 0.23 0.00 0.03 0.00 0.00 54.97 56.99 3hkl s GLU 433 Cb -0.16 -3.72 1.31 0.00 -0.80 0.00 0.00 34.13 30.76 3hkl s GLU 433 CO 0.51 -0.84 2.05 0.00 -1.33 0.00 0.00 175.26 175.65 3hkl h SER 435 N 0.00 0.56 -0.03 0.00 0.02 -1.94 -2.90 113.55 109.26 3hkl h SER 435 Ca -0.00 -0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.84 3hkl h SER 435 Cb 0.32 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.71 3hkl h SER 435 CO 0.02 0.62 0.00 0.29 -1.14 0.00 0.00 176.83 176.62 3hkl n LYS 436 N -4.27 1.23 -3.90 3.45 4.01 -0.91 -4.89 118.16 112.88 3hkl n LYS 436 Ca 0.02 -0.34 -0.32 0.00 -0.51 0.00 0.00 58.31 57.15 3hkl n LYS 436 Cb 0.25 -1.42 -0.04 0.00 -0.51 0.00 0.00 35.03 33.31 3hkl n LYS 436 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 3hkl s LEU 437 N -1.81 4.36 0.86 -0.35 1.43 -1.10 -5.08 118.68 117.00 3hkl s LEU 437 Ca 0.38 0.32 -0.11 0.00 -1.03 0.00 0.00 54.13 53.69 3hkl s LEU 437 Cb 0.18 -2.78 0.11 0.00 0.03 0.00 0.00 46.19 43.73 3hkl s LEU 437 CO 0.30 0.22 1.09 -2.16 0.23 0.00 0.00 176.35 176.03 3hkl s PRO 438 N -2.19 1.57 0.08 1.29 0.04 -1.26 -4.45 135.00 130.08 3hkl s PRO 438 Ca 0.31 0.95 -0.05 0.00 0.04 0.00 0.00 61.00 62.25 3hkl s PRO 438 Cb -0.13 -1.83 -0.05 0.00 0.04 0.00 0.00 34.50 32.53 3hkl s PRO 438 CO 0.23 -2.06 0.32 0.45 0.04 0.00 0.00 177.00 175.98 3hkl s SER 439 N -3.39 6.49 0.53 6.66 0.15 -1.26 -0.25 113.70 122.63 3hkl s SER 439 Ca 0.63 0.55 0.21 0.00 0.70 0.00 0.00 55.95 58.04 3hkl s SER 439 Cb -0.18 -2.08 1.42 0.00 -1.71 0.00 0.00 66.02 63.48 3hkl s SER 439 CO 0.57 0.14 2.15 -0.03 1.20 0.00 0.00 173.24 177.27 3hkl h MET 440 N 3.31 0.00 -0.02 5.44 4.05 -1.94 -2.92 114.93 122.85 3hkl h MET 440 Ca -0.47 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 58.95 3hkl h MET 440 Cb 1.18 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.98 3hkl h MET 440 CO 0.71 0.04 -0.32 0.72 0.23 0.00 0.00 176.91 178.29 3hkl n HIS 441 N -4.18 0.00 0.05 1.39 8.25 -1.26 -2.60 115.22 116.86 3hkl n HIS 441 Ca -0.03 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.21 3hkl n HIS 441 Cb 0.13 -0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.09 3hkl n HIS 441 CO 0.00 0.00 0.00 1.96 0.64 0.00 0.00 176.34 178.94 3hkl h GLN 442 N 3.18 0.33 -0.77 -0.41 4.20 -1.92 -3.46 115.11 116.26 3hkl h GLN 442 Ca 0.00 -0.57 0.08 0.00 0.06 0.00 0.00 58.65 58.22 3hkl h GLN 442 Cb 0.84 0.21 -0.20 0.00 0.30 0.00 0.00 27.48 28.63 3hkl h GLN 442 CO 0.00 1.27 -0.27 0.34 -0.67 0.00 0.00 178.83 179.50 3hkl s ASP 443 N -7.18 -1.27 0.18 1.46 -1.08 -1.17 -5.05 116.67 102.56 3hkl s ASP 443 Ca -0.17 0.13 0.16 0.00 -0.52 0.00 0.00 52.55 52.15 3hkl s ASP 443 Cb 0.05 1.80 0.76 0.00 -1.46 0.00 0.00 42.92 44.07 3hkl s ASP 443 CO 0.82 -0.23 1.49 -0.81 0.52 0.00 0.00 175.17 176.96 3hkl n PRO 444 N 5.30 0.10 0.00 4.34 -0.04 -1.07 -1.84 135.00 141.79 3hkl n PRO 444 Ca 0.06 0.49 0.10 0.00 -0.04 0.00 0.00 63.50 64.12 3hkl n PRO 444 Cb 0.55 -1.76 -0.11 0.00 -0.04 0.00 0.00 33.50 32.15 3hkl n PRO 444 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3hkl n THR 445 N -1.96 0.00 1.22 0.52 -2.24 -1.26 -4.42 114.28 106.15 3hkl n THR 445 Ca 0.01 -0.03 0.13 0.00 -2.27 0.00 0.00 64.05 61.88 3hkl n THR 445 Cb 0.09 1.03 0.40 0.00 -2.10 0.00 0.00 70.33 69.75 3hkl n THR 445 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hkl n ALA 446 N -1.33 3.09 -2.55 6.98 0.00 -0.77 -4.94 120.51 120.99 3hkl n ALA 446 Ca 0.05 -0.37 -0.09 0.00 0.00 0.00 0.00 53.44 53.03 3hkl n ALA 446 Cb 0.34 -1.17 -0.08 0.00 0.00 0.00 0.00 19.45 18.55 3hkl n ALA 446 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hkl s THR 448 N -3.94 5.12 0.47 0.00 2.01 -0.07 -4.77 115.64 114.45 3hkl s THR 448 Ca 0.13 1.13 -0.05 0.00 0.31 0.00 0.00 61.69 63.21 3hkl s THR 448 Cb 0.05 -3.90 -0.04 0.00 0.01 0.00 0.00 72.50 68.62 3hkl s THR 448 CO -0.04 0.26 0.77 -0.13 -0.69 0.00 0.00 174.62 174.79 3hkl s ARG 449 N 0.95 3.56 -0.13 4.92 0.52 -1.26 -1.34 118.95 126.18 3hkl s ARG 449 Ca 0.29 0.20 -0.32 0.00 -0.52 0.00 0.00 55.73 55.38 3hkl s ARG 449 Cb -0.16 -2.39 -0.10 0.00 0.52 0.00 0.00 34.95 32.82 3hkl s ARG 449 CO 0.12 -0.17 2.02 -0.11 0.02 0.00 0.00 175.30 177.18 3hkl n LEU 450 N -2.15 3.36 -4.95 2.53 7.94 -1.26 -4.98 117.00 117.50 3hkl n LEU 450 Ca 0.00 0.72 -0.26 0.00 -1.11 0.00 0.00 56.01 55.36 3hkl n LEU 450 Cb 0.55 -1.42 0.11 0.00 0.53 0.00 0.00 43.42 43.18 3hkl n LEU 450 CO 0.53 -0.23 0.66 -2.16 -1.11 0.00 0.00 177.39 175.07 3hkl s PRO 451 N 4.94 1.71 0.15 1.96 0.04 -1.26 -5.00 135.00 137.54 3hkl s PRO 451 Ca 0.96 -0.50 -0.32 0.00 0.04 0.00 0.00 61.00 61.18 3hkl s PRO 451 Cb -0.59 -2.14 -0.11 0.00 0.04 0.00 0.00 34.50 31.70 3hkl s PRO 451 CO 0.46 -1.56 1.80 2.48 0.04 0.00 0.00 177.00 180.22 3hkl n TYR 452 N -3.09 2.66 -4.03 0.56 4.11 -1.26 -4.98 117.16 111.12 3hkl n TYR 452 Ca 0.11 -0.08 -0.34 0.00 -0.00 0.00 0.00 57.90 57.59 3hkl n TYR 452 Cb 0.60 -2.71 -0.10 0.00 -0.00 0.00 0.00 39.34 37.13 3hkl n TYR 452 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.86 176.35 3hkl s LEU 453 N 2.19 3.78 -0.48 -3.48 1.43 -1.26 -5.03 118.68 115.82 3hkl s LEU 453 Ca 0.80 0.07 -0.19 0.00 -1.03 0.00 0.00 54.13 53.77 3hkl s LEU 453 Cb -0.50 -1.95 0.05 0.00 0.03 0.00 0.00 46.19 43.82 3hkl s LEU 453 CO 0.36 0.17 0.62 -0.62 0.23 0.00 0.00 176.35 177.11 3hkl s ASP 454 N 0.38 6.24 -0.38 2.29 2.15 -1.26 -5.02 116.67 121.08 3hkl s ASP 454 Ca 0.03 -0.75 -0.11 0.00 0.43 0.00 0.00 52.55 52.15 3hkl s ASP 454 Cb -0.12 -2.29 0.03 0.00 -0.30 0.00 0.00 42.92 40.23 3hkl s ASP 454 CO 0.00 -0.85 0.21 -0.31 -0.17 0.00 0.00 175.17 174.06 3hkl s TYR 455 N 2.66 3.25 -0.40 -5.34 1.51 -1.26 -4.91 117.35 112.86 3hkl s TYR 455 Ca 0.17 -0.97 0.11 0.00 -1.01 0.00 0.00 57.07 55.36 3hkl s TYR 455 Cb -0.18 -2.44 0.37 0.00 -0.11 0.00 0.00 41.96 39.60 3hkl s TYR 455 CO 0.14 -0.65 1.02 1.63 -1.11 0.00 0.00 175.55 176.58 3hkl n LYS 456 N 5.00 1.06 0.11 -0.62 5.02 -1.26 -5.26 118.16 122.22 3hkl n LYS 456 Ca -0.12 -2.57 0.00 0.00 -2.02 0.00 0.00 58.31 53.60 3hkl n LYS 456 Cb 0.46 -1.06 0.00 0.00 -0.02 0.00 0.00 35.03 34.40 3hkl n LYS 456 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3hkl n THR 462 N 0.06 0.07 -4.71 -0.18 -2.24 -1.26 -5.25 114.28 100.78 3hkl n THR 462 Ca 0.10 0.02 -0.25 0.00 -2.27 0.00 0.00 64.05 61.66 3hkl n THR 462 Cb 0.74 -0.57 -0.16 0.00 -2.10 0.00 0.00 70.33 68.24 3hkl n THR 462 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 3hkl s PHE 463 N -2.00 1.51 0.41 4.78 0.40 -1.26 -4.94 117.98 116.88 3hkl s PHE 463 Ca 0.00 -0.43 -0.25 0.00 -0.60 0.00 0.00 56.93 55.65 3hkl s PHE 463 Cb 0.00 -1.03 -0.08 0.00 0.51 0.00 0.00 43.02 42.41 3hkl s PHE 463 CO 0.00 -0.16 1.21 -1.25 0.70 0.00 0.00 175.22 175.72 3hkl s PRO 464 N 0.12 3.97 -0.05 0.24 0.04 -1.26 -5.03 135.00 133.02 3hkl s PRO 464 Ca -0.04 1.93 0.05 0.00 0.04 0.00 0.00 61.00 62.98 3hkl s PRO 464 Cb -0.11 -2.66 -0.02 0.00 0.04 0.00 0.00 34.50 31.75 3hkl s PRO 464 CO 0.02 -0.42 -0.21 0.45 0.04 0.00 0.00 177.00 176.88 3hkl s SER 465 N -1.04 3.42 0.00 6.66 0.15 -1.26 -5.08 113.70 116.55 3hkl s SER 465 Ca 0.58 -0.39 0.10 0.00 0.70 0.00 0.00 55.95 56.94 3hkl s SER 465 Cb -0.33 -0.77 0.08 0.00 -1.71 0.00 0.00 66.02 63.29 3hkl s SER 465 CO 0.41 0.29 0.81 2.30 1.20 0.00 0.00 173.24 178.25