#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wel s SER 406 N 0.00 5.07 -0.54 1.61 0.01 -1.26 -5.09 113.70 113.49 1wel s SER 406 Ca 0.00 -0.32 0.04 0.00 1.31 0.00 0.00 55.95 56.98 1wel s SER 406 Cb 0.00 -1.18 0.14 0.00 0.21 0.00 0.00 66.02 65.20 1wel s SER 406 CO 0.00 0.06 0.32 -0.55 0.41 0.00 0.00 173.24 173.48 1wel s SER 407 N -3.15 4.15 0.00 2.44 0.15 -1.26 -4.95 113.70 111.09 1wel s SER 407 Ca 0.29 -3.15 0.00 0.00 0.70 0.00 0.00 55.95 53.79 1wel s SER 407 Cb -0.09 -1.44 0.00 0.00 -1.71 0.00 0.00 66.02 62.78 1wel s SER 407 CO 0.21 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 175.06 1wel n GLY 408 N 2.89 -2.03 0.10 9.45 0.00 -1.26 -5.06 105.19 109.28 1wel n GLY 408 Ca 0.11 1.03 -0.10 0.00 0.00 0.00 0.00 46.02 47.06 1wel n GLY 408 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1wel h SER 409 N 0.00 -0.10 -1.47 1.61 0.87 -2.08 -3.40 113.55 108.98 1wel h SER 409 Ca 0.00 -0.48 -0.54 0.00 -1.23 0.00 0.00 61.79 59.54 1wel h SER 409 Cb 0.00 0.02 -0.08 0.00 -0.44 0.00 0.00 62.40 61.90 1wel h SER 409 CO 0.00 0.57 1.27 -0.44 -0.53 0.00 0.00 176.83 177.70 1wel s SER 410 N -5.70 6.15 0.22 6.23 0.01 -1.26 -4.96 113.70 114.39 1wel s SER 410 Ca -0.12 -0.95 -0.29 0.00 1.31 0.00 0.00 55.95 55.90 1wel s SER 410 Cb -0.01 -2.56 -0.16 0.00 0.21 0.00 0.00 66.02 63.50 1wel s SER 410 CO 0.47 -1.82 0.77 0.61 0.41 0.00 0.00 173.24 173.68 1wel n GLY 411 N 6.38 -1.00 3.63 3.44 0.00 -1.26 -4.77 105.19 111.60 1wel n GLY 411 Ca 0.25 0.37 -0.43 0.00 0.00 0.00 0.00 46.02 46.21 1wel n GLY 411 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wel s LYS 412 N -1.11 3.65 0.14 1.61 3.01 -1.26 -4.95 119.74 120.83 1wel s LYS 412 Ca 0.64 2.18 -0.28 0.00 -1.01 0.00 0.00 55.97 57.50 1wel s LYS 412 Cb -0.86 -4.23 -0.07 0.00 -1.01 0.00 0.00 37.83 31.67 1wel s LYS 412 CO 0.57 -1.51 0.87 -1.12 0.51 0.00 0.00 175.35 174.67 1wel s SER 413 N 6.01 7.45 -0.22 2.83 0.01 -1.26 -5.00 113.70 123.53 1wel s SER 413 Ca 0.90 1.73 -0.29 0.00 1.31 0.00 0.00 55.95 59.60 1wel s SER 413 Cb -0.35 -2.55 -0.03 0.00 0.21 0.00 0.00 66.02 63.31 1wel s SER 413 CO 0.36 0.08 1.62 -2.16 0.41 0.00 0.00 173.24 173.55 1wel s PRO 414 N -0.60 3.79 0.05 12.44 0.04 -1.26 -4.98 135.00 144.48 1wel s PRO 414 Ca 0.41 1.65 -0.12 0.00 0.04 0.00 0.00 61.00 62.99 1wel s PRO 414 Cb -0.23 -4.04 0.01 0.00 0.04 0.00 0.00 34.50 30.28 1wel s PRO 414 CO 0.28 -1.30 0.26 0.45 0.04 0.00 0.00 177.00 176.73 1wel s SER 415 N 4.24 -0.05 0.00 6.66 0.15 -1.26 -5.08 113.70 118.36 1wel s SER 415 Ca 0.71 -0.31 0.00 0.00 0.70 0.00 0.00 55.95 57.05 1wel s SER 415 Cb -0.25 0.34 0.00 0.00 -1.71 0.00 0.00 66.02 64.40 1wel s SER 415 CO 0.29 -0.63 0.00 0.61 1.20 0.00 0.00 173.24 174.72 1wel n GLY 416 N 0.48 0.92 2.67 9.45 0.00 -1.26 -5.14 105.19 112.30 1wel n GLY 416 Ca -0.18 -0.53 -0.27 0.00 0.00 0.00 0.00 46.02 45.04 1wel n GLY 416 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1wel s GLN 417 N 0.00 0.35 0.37 1.61 -1.52 -1.26 -5.13 119.66 114.08 1wel s GLN 417 Ca 0.00 -0.28 -0.28 0.00 -1.95 0.00 0.00 55.36 52.85 1wel s GLN 417 Cb 0.00 -1.93 -0.11 0.00 -0.22 0.00 0.00 33.01 30.75 1wel s GLN 417 CO 0.00 -0.68 1.45 -1.59 -0.25 0.00 0.00 175.29 174.22 1wel s LYS 418 N 2.00 4.15 -0.39 2.91 -2.85 -1.26 -4.90 119.74 119.39 1wel s LYS 418 Ca 0.01 2.51 0.01 0.00 -1.00 0.00 0.00 55.97 57.50 1wel s LYS 418 Cb -0.17 -2.98 0.43 0.00 -2.06 0.00 0.00 37.83 33.06 1wel s LYS 418 CO -0.10 -0.48 1.81 2.89 0.10 0.00 0.00 175.35 179.57 1wel n ARG 419 N 0.51 2.05 -3.61 1.78 1.85 -1.26 -4.94 116.66 113.04 1wel n ARG 419 Ca 0.01 -2.30 -0.26 0.00 -1.00 0.00 0.00 57.85 54.30 1wel n ARG 419 Cb 0.40 -1.90 -0.02 0.00 -1.05 0.00 0.00 32.46 29.88 1wel n ARG 419 CO 0.00 0.00 0.00 -1.12 -0.01 0.00 0.00 177.63 176.50 1wel s SER 420 N -0.75 6.36 -0.25 2.89 0.01 -1.26 -5.03 113.70 115.67 1wel s SER 420 Ca 0.44 0.41 0.05 0.00 1.31 0.00 0.00 55.95 58.16 1wel s SER 420 Cb 0.36 -2.01 -0.18 0.00 0.21 0.00 0.00 66.02 64.40 1wel s SER 420 CO 0.05 -0.13 -0.18 0.54 0.41 0.00 0.00 173.24 173.93 1wel n ARG 421 N -1.07 0.66 -3.66 12.44 3.00 -1.26 -4.98 116.66 121.78 1wel n ARG 421 Ca -0.05 0.12 -0.07 0.00 -0.01 0.00 0.00 57.85 57.84 1wel n ARG 421 Cb 0.55 -1.51 -0.08 0.00 0.00 0.00 0.00 32.46 31.41 1wel n ARG 421 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1wel s SER 422 N -6.30 -0.57 -0.94 0.55 0.15 -1.26 -5.10 113.70 100.23 1wel s SER 422 Ca -0.30 1.16 -0.12 0.00 0.70 0.00 0.00 55.95 57.38 1wel s SER 422 Cb 0.08 1.46 0.24 0.00 -1.71 0.00 0.00 66.02 66.09 1wel s SER 422 CO 0.63 -0.22 0.91 -0.60 1.20 0.00 0.00 173.24 175.16 1wel s ARG 423 N 2.35 3.82 -0.51 5.44 3.00 -1.26 -4.96 118.95 126.84 1wel s ARG 423 Ca -0.05 -2.71 0.04 0.00 -1.00 0.00 0.00 55.73 52.00 1wel s ARG 423 Cb -0.11 -4.50 0.13 0.00 0.00 0.00 0.00 34.95 30.48 1wel s ARG 423 CO -0.15 -1.29 0.26 -1.54 0.00 0.00 0.00 175.30 172.58 1wel s SER 424 N 1.91 4.14 0.15 -2.12 1.04 -1.26 -5.10 113.70 112.47 1wel s SER 424 Ca 0.23 -2.95 -0.31 0.00 0.48 0.00 0.00 55.95 53.41 1wel s SER 424 Cb -0.10 -1.47 -0.08 0.00 0.10 0.00 0.00 66.02 64.47 1wel s SER 424 CO -0.09 -0.23 1.33 -2.16 0.98 0.00 0.00 173.24 173.07 1wel s PRO 425 N -0.17 4.36 0.01 4.02 0.04 -1.26 -4.98 135.00 137.03 1wel s PRO 425 Ca 0.18 2.04 -0.06 0.00 0.04 0.00 0.00 61.00 63.19 1wel s PRO 425 Cb -0.25 -3.23 -0.04 0.00 0.04 0.00 0.00 34.50 31.03 1wel s PRO 425 CO -0.01 -0.33 1.10 1.25 0.04 0.00 0.00 177.00 179.05 1wel h HIS 426 N 6.08 -0.22 -2.02 0.56 2.76 -2.04 -3.46 115.15 116.81 1wel h HIS 426 Ca -0.43 -0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 57.72 1wel h HIS 426 Cb 1.21 0.07 -0.21 0.00 1.55 0.00 0.00 27.41 30.04 1wel h HIS 426 CO 0.64 -0.13 0.05 -2.00 -1.30 0.00 0.00 177.93 175.19 1wel s GLU 427 N -3.51 0.75 0.01 5.26 -6.30 -1.26 -5.17 118.70 108.48 1wel s GLU 427 Ca -0.03 1.13 -0.29 0.00 -2.50 0.00 0.00 54.97 53.27 1wel s GLU 427 Cb 0.00 0.24 0.10 0.00 0.00 0.00 0.00 34.13 34.48 1wel s GLU 427 CO 0.10 -0.13 1.06 0.00 0.02 0.00 0.00 175.26 176.31 1wel s ALA 428 N 1.14 -1.91 0.31 6.30 0.00 -1.26 -4.97 121.76 121.37 1wel s ALA 428 Ca -0.06 0.77 0.00 0.00 0.00 0.00 0.00 51.96 52.67 1wel s ALA 428 Cb -0.05 0.38 0.00 0.00 0.00 0.00 0.00 23.12 23.45 1wel s ALA 428 CO -0.12 -0.87 0.00 0.41 0.00 0.00 0.00 175.76 175.19 1wel n GLY 429 N -0.34 1.59 2.86 0.00 0.00 -1.26 -4.94 105.19 103.10 1wel n GLY 429 Ca -0.06 -1.76 -0.30 0.00 0.00 0.00 0.00 46.02 43.89 1wel n GLY 429 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1wel s PHE 430 N 2.10 2.41 0.28 1.61 0.08 -1.26 -4.56 117.98 118.63 1wel s PHE 430 Ca 0.00 -2.05 0.02 0.00 0.12 0.00 0.00 56.93 55.02 1wel s PHE 430 Cb 0.00 -1.98 -0.05 0.00 -0.57 0.00 0.00 43.02 40.41 1wel s PHE 430 CO 0.00 -0.86 0.09 0.00 -0.10 0.00 0.00 175.22 174.35 1wel s VAL 432 N -3.61 0.02 -0.37 0.00 -7.23 0.13 -3.50 120.40 105.84 1wel s VAL 432 Ca 0.37 0.12 -0.15 0.00 -1.81 0.00 0.00 61.98 60.51 1wel s VAL 432 Cb 0.08 -0.11 0.00 0.00 0.56 0.00 0.00 36.38 36.91 1wel s VAL 432 CO 0.14 0.08 0.34 -0.47 -0.31 0.00 0.00 175.10 174.88 1wel s TYR 433 N 0.74 3.21 -0.13 2.82 5.04 0.80 -1.96 117.35 127.86 1wel s TYR 433 Ca -0.06 -0.25 -0.07 0.00 -2.44 0.00 0.00 57.07 54.24 1wel s TYR 433 Cb -0.09 -2.66 -0.04 0.00 0.35 0.00 0.00 41.96 39.52 1wel s TYR 433 CO -0.02 -0.51 0.13 -0.51 -1.34 0.00 0.00 175.55 173.31 1wel s LEU 434 N 1.91 4.32 -0.05 6.97 1.43 -0.29 -1.59 118.68 131.37 1wel s LEU 434 Ca 0.09 0.42 -0.01 0.00 -1.03 0.00 0.00 54.13 53.61 1wel s LEU 434 Cb -0.17 -2.06 0.03 0.00 0.03 0.00 0.00 46.19 44.02 1wel s LEU 434 CO 0.12 0.38 -0.00 -0.54 0.23 0.00 0.00 176.35 176.53 1wel s LYS 435 N -0.85 0.52 0.00 1.70 1.02 -0.81 -1.04 119.74 120.29 1wel s LYS 435 Ca 0.14 0.09 0.00 0.00 0.02 0.00 0.00 55.97 56.22 1wel s LYS 435 Cb -0.12 -0.80 0.00 0.00 -0.52 0.00 0.00 37.83 36.39 1wel s LYS 435 CO 0.03 -0.23 0.00 0.41 -0.92 0.00 0.00 175.35 174.64 1wel n GLY 436 N 4.74 1.10 3.33 -3.33 0.00 -0.79 -0.58 105.19 109.67 1wel n GLY 436 Ca -0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.45 1wel n GLY 436 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wel n LEU 437 N 0.00 -2.39 -4.73 0.99 4.77 -1.26 -4.63 117.00 109.75 1wel n LEU 437 Ca 0.00 0.88 -0.30 0.00 -0.03 0.00 0.00 56.01 56.56 1wel n LEU 437 Cb 0.00 -0.91 0.13 0.00 -2.33 0.00 0.00 43.42 40.31 1wel n LEU 437 CO 0.00 -3.89 0.68 -2.16 -1.33 0.00 0.00 177.39 170.68 1wel s PRO 438 N -1.04 1.53 0.44 3.23 0.04 -1.26 -4.24 135.00 133.70 1wel s PRO 438 Ca 0.60 0.91 0.21 0.00 0.04 0.00 0.00 61.00 62.77 1wel s PRO 438 Cb -0.69 -1.83 1.01 0.00 0.04 0.00 0.00 34.50 33.03 1wel s PRO 438 CO 0.61 -2.08 1.89 0.74 0.04 0.00 0.00 177.00 178.21 1wel h PHE 439 N -1.44 0.00 -0.56 0.56 0.04 -1.91 -2.60 116.94 111.03 1wel h PHE 439 Ca -0.48 0.00 -0.22 0.00 2.80 0.00 0.00 57.97 60.07 1wel h PHE 439 Cb 1.27 0.00 -0.13 0.00 2.20 0.00 0.00 35.95 39.29 1wel h PHE 439 CO 0.47 0.26 0.17 -0.85 -0.60 0.00 0.00 178.31 177.75 1wel n GLU 440 N -3.67 2.62 -0.44 1.51 0.28 -1.26 -1.66 120.64 118.02 1wel n GLU 440 Ca -0.01 -3.06 -0.28 0.00 -0.16 0.00 0.00 57.16 53.64 1wel n GLU 440 Cb 0.37 -2.00 0.27 0.00 1.43 0.00 0.00 31.44 31.52 1wel n GLU 440 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1wel s ALA 441 N -3.11 -0.83 -0.01 -1.84 0.00 -0.98 -5.06 121.76 109.93 1wel s ALA 441 Ca 0.49 -0.23 -0.28 0.00 0.00 0.00 0.00 51.96 51.94 1wel s ALA 441 Cb 0.42 -3.21 0.09 0.00 0.00 0.00 0.00 23.12 20.41 1wel s ALA 441 CO 0.07 -4.15 0.77 -1.21 0.00 0.00 0.00 175.76 171.24 1wel s GLU 442 N -4.46 0.97 0.47 0.00 2.02 -1.26 -4.99 118.70 111.44 1wel s GLU 442 Ca 0.69 -0.09 0.38 0.00 0.02 0.00 0.00 54.97 55.96 1wel s GLU 442 Cb -0.24 0.45 1.55 0.00 0.10 0.00 0.00 34.13 35.98 1wel s GLU 442 CO 0.65 -0.37 1.54 0.09 0.02 0.00 0.00 175.26 177.19 1wel n ASN 443 N 0.26 0.14 -0.11 -0.19 4.13 -1.26 0.17 115.26 118.40 1wel n ASN 443 Ca -0.14 1.25 -0.10 0.00 1.68 0.00 0.00 54.58 57.27 1wel n ASN 443 Cb 0.60 -0.62 -0.02 0.00 -1.54 0.00 0.00 39.78 38.20 1wel n ASN 443 CO 0.00 0.00 0.00 0.07 0.28 0.00 0.00 177.26 177.61 1wel h LYS 444 N 0.00 0.56 -0.36 3.52 2.10 -2.00 -2.51 116.57 117.88 1wel h LYS 444 Ca 0.89 -0.15 0.06 0.00 -2.00 0.00 0.00 60.65 59.45 1wel h LYS 444 Cb 3.09 -0.06 -0.05 0.00 -0.90 0.00 0.00 32.23 34.30 1wel h LYS 444 CO -0.32 0.64 0.04 0.45 -2.00 0.00 0.00 179.45 178.26 1wel h HIS 445 N 0.39 0.05 -0.47 0.07 3.86 0.13 -0.77 115.15 118.41 1wel h HIS 445 Ca 0.10 0.02 0.03 0.00 -1.16 0.00 0.00 60.37 59.37 1wel h HIS 445 Cb 0.36 0.03 -0.04 0.00 1.06 0.00 0.00 27.41 28.82 1wel h HIS 445 CO 0.02 -0.02 0.26 0.28 0.86 0.00 0.00 177.93 179.33 1wel h VAL 446 N 0.15 1.01 0.53 2.45 2.07 -1.42 -2.37 116.25 118.67 1wel h VAL 446 Ca 0.18 -0.18 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 1wel h VAL 446 Cb 0.22 0.44 -0.00 0.00 -1.52 0.00 0.00 31.29 30.43 1wel h VAL 446 CO -0.26 0.09 -0.32 0.40 0.02 0.00 0.00 177.57 177.50 1wel h ILE 447 N 0.52 0.34 -1.05 4.57 2.04 -0.94 -1.98 117.51 121.00 1wel h ILE 447 Ca 0.20 0.00 0.29 0.00 1.00 0.00 0.00 64.86 66.35 1wel h ILE 447 Cb 0.06 0.34 -0.05 0.00 -0.74 0.00 0.00 36.82 36.43 1wel h ILE 447 CO -0.11 0.00 0.74 -0.78 0.00 0.00 0.00 178.15 177.99 1wel h ASP 448 N -0.81 0.10 -0.35 1.72 3.58 -1.01 0.31 116.42 119.95 1wel h ASP 448 Ca -0.06 0.02 -0.13 0.00 0.42 0.00 0.00 57.03 57.27 1wel h ASP 448 Cb 0.66 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.70 1wel h ASP 448 CO 0.07 0.02 -0.31 0.15 -2.88 0.00 0.00 179.24 176.29 1wel h PHE 449 N 0.09 0.98 -1.54 0.28 3.57 -0.83 -3.25 116.94 116.24 1wel h PHE 449 Ca 0.52 -0.28 -0.65 0.00 3.53 0.00 0.00 57.97 61.09 1wel h PHE 449 Cb 1.89 -0.21 -0.37 0.00 2.79 0.00 0.00 35.95 40.05 1wel h PHE 449 CO -0.00 1.07 -0.09 1.19 -2.23 0.00 0.00 178.31 178.25 1wel n PHE 450 N -4.18 3.19 -1.06 0.41 3.72 0.93 -5.05 117.46 115.42 1wel n PHE 450 Ca -0.03 -2.77 -0.29 0.00 -0.05 0.00 0.00 57.45 54.32 1wel n PHE 450 Cb 0.49 -0.54 0.18 0.00 -0.94 0.00 0.00 39.48 38.67 1wel n PHE 450 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1wel s LYS 451 N -3.73 0.49 -1.38 -1.08 -0.14 -0.30 -3.81 119.74 109.79 1wel s LYS 451 Ca 0.51 0.71 -0.02 0.00 -1.36 0.00 0.00 55.97 55.80 1wel s LYS 451 Cb 0.42 -1.73 0.00 0.00 -1.68 0.00 0.00 37.83 34.84 1wel s LYS 451 CO -0.22 -2.74 0.28 1.63 -0.76 0.00 0.00 175.35 173.54 1wel n LYS 452 N -4.21 -2.87 -3.00 1.68 4.01 -1.26 -4.98 118.16 107.54 1wel n LYS 452 Ca 0.06 0.80 -0.09 0.00 -0.51 0.00 0.00 58.31 58.56 1wel n LYS 452 Cb 0.56 -5.30 -0.03 0.00 -0.51 0.00 0.00 35.03 29.75 1wel n LYS 452 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 1wel n LEU 453 N -2.99 0.00 -4.05 -0.35 4.77 -1.25 -5.09 117.00 108.04 1wel n LEU 453 Ca -0.15 -1.58 -0.33 0.00 -0.03 0.00 0.00 56.01 53.92 1wel n LEU 453 Cb 0.63 1.12 -0.14 0.00 -2.33 0.00 0.00 43.42 42.70 1wel n LEU 453 CO 0.32 -0.31 -0.27 -1.81 -1.33 0.00 0.00 177.39 173.99 1wel s ASP 454 N -2.18 4.94 -0.09 -1.43 1.11 -1.26 -5.09 116.67 112.67 1wel s ASP 454 Ca 0.18 -2.12 0.03 0.00 0.18 0.00 0.00 52.55 50.82 1wel s ASP 454 Cb 0.00 -1.70 -0.01 0.00 1.07 0.00 0.00 42.92 42.28 1wel s ASP 454 CO 0.13 -0.44 -0.19 -0.63 1.18 0.00 0.00 175.17 175.22 1wel s ILE 455 N 0.98 2.56 -0.66 0.77 1.01 -1.26 -2.18 121.20 122.42 1wel s ILE 455 Ca 0.10 -0.86 -0.27 0.00 0.00 0.00 0.00 60.65 59.62 1wel s ILE 455 Cb -0.20 -2.01 -0.00 0.00 0.01 0.00 0.00 42.46 40.25 1wel s ILE 455 CO -0.07 0.55 1.68 -0.69 0.00 0.00 0.00 174.94 176.41 1wel s VAL 456 N 0.07 3.47 0.46 2.92 1.01 -1.20 -4.83 120.40 122.31 1wel s VAL 456 Ca -0.08 0.26 0.41 0.00 0.00 0.00 0.00 61.98 62.57 1wel s VAL 456 Cb -0.15 -4.26 0.61 0.00 0.00 0.00 0.00 36.38 32.58 1wel s VAL 456 CO 0.05 -1.22 1.34 -0.62 0.00 0.00 0.00 175.10 174.66 1wel n GLU 457 N 9.25 -0.00 -0.04 2.72 -0.58 -1.26 0.16 120.64 130.88 1wel n GLU 457 Ca 0.15 0.95 -0.14 0.00 -0.42 0.00 0.00 57.16 57.70 1wel n GLU 457 Cb 0.51 -2.15 -0.12 0.00 -0.57 0.00 0.00 31.44 29.12 1wel n GLU 457 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 1wel h ASP 458 N 0.00 0.01 -0.69 1.62 3.32 -1.99 -3.30 116.42 115.38 1wel h ASP 458 Ca 0.80 -0.76 0.14 0.00 0.02 0.00 0.00 57.03 57.23 1wel h ASP 458 Cb 3.15 -0.00 -0.10 0.00 0.22 0.00 0.00 39.33 42.60 1wel h ASP 458 CO -0.06 0.77 0.19 0.77 -1.72 0.00 0.00 179.24 179.19 1wel h SER 459 N -0.76 0.08 -0.46 6.45 4.64 0.12 -3.41 113.55 120.21 1wel h SER 459 Ca -0.00 0.12 -0.78 0.00 -0.47 0.00 0.00 61.79 60.67 1wel h SER 459 Cb 0.77 0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 62.99 1wel h SER 459 CO 0.00 0.02 1.18 -0.38 -0.87 0.00 0.00 176.83 176.78 1wel n ILE 460 N -5.10 0.05 -4.91 0.95 5.41 -0.89 -4.75 119.36 110.12 1wel n ILE 460 Ca 0.12 -0.04 -0.28 0.00 1.00 0.00 0.00 62.75 63.56 1wel n ILE 460 Cb 0.40 -0.71 -0.15 0.00 -0.71 0.00 0.00 39.64 38.47 1wel n ILE 460 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 176.55 176.08 1wel s TYR 461 N 5.40 1.97 -0.03 1.39 6.14 -0.34 -4.98 117.35 126.90 1wel s TYR 461 Ca 1.14 -0.38 -0.00 0.00 0.64 0.00 0.00 57.07 58.47 1wel s TYR 461 Cb -1.38 -1.22 0.03 0.00 0.42 0.00 0.00 41.96 39.80 1wel s TYR 461 CO 0.67 0.03 0.03 0.42 0.64 0.00 0.00 175.55 177.34 1wel s ILE 462 N -0.65 -0.02 -0.20 3.14 1.01 -1.26 -0.52 121.20 122.69 1wel s ILE 462 Ca 0.09 0.24 -0.27 0.00 0.00 0.00 0.00 60.65 60.71 1wel s ILE 462 Cb -0.09 -0.14 -0.00 0.00 0.01 0.00 0.00 42.46 42.24 1wel s ILE 462 CO 0.00 0.12 0.91 0.00 0.00 0.00 0.00 174.94 175.98 1wel s ALA 463 N 1.32 3.60 -0.21 9.38 0.00 -0.58 -5.02 121.76 130.25 1wel s ALA 463 Ca -0.06 0.07 -0.01 0.00 0.00 0.00 0.00 51.96 51.95 1wel s ALA 463 Cb -0.13 -3.37 0.01 0.00 0.00 0.00 0.00 23.12 19.63 1wel s ALA 463 CO -0.03 -0.85 -0.11 0.71 0.00 0.00 0.00 175.76 175.48 1wel s TYR 464 N 2.66 2.91 1.07 0.00 2.02 -1.26 -0.07 117.35 124.68 1wel s TYR 464 Ca 0.40 -1.36 -0.19 0.00 -0.37 0.00 0.00 57.07 55.55 1wel s TYR 464 Cb -0.16 -2.02 0.03 0.00 -0.40 0.00 0.00 41.96 39.41 1wel s TYR 464 CO 0.09 -0.69 -0.26 0.41 -1.57 0.00 0.00 175.55 173.54 1wel n GLY 465 N 4.70 -2.63 0.14 0.71 0.00 -0.02 -4.80 105.19 103.29 1wel n GLY 465 Ca -0.19 -0.66 0.12 0.00 0.00 0.00 0.00 46.02 45.29 1wel n GLY 465 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wel h PRO 466 N -1.76 0.00 -0.22 1.61 0.13 -1.96 -2.26 132.00 127.54 1wel h PRO 466 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1wel h PRO 466 Cb 1.35 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.48 1wel h PRO 466 CO 0.34 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.20 1wel n ASN 467 N -2.30 2.12 0.00 1.44 3.02 -1.26 -4.90 115.26 113.38 1wel n ASN 467 Ca 0.02 -1.79 0.00 0.00 -0.03 0.00 0.00 54.58 52.78 1wel n ASN 467 Cb 0.23 -0.14 0.00 0.00 -0.61 0.00 0.00 39.78 39.26 1wel n ASN 467 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1wel n GLY 468 N 1.22 0.44 3.23 7.41 0.00 -0.85 -5.04 105.19 111.60 1wel n GLY 468 Ca 0.17 -0.99 -0.34 0.00 0.00 0.00 0.00 46.02 44.85 1wel n GLY 468 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wel s LYS 469 N -1.81 3.20 -0.20 1.61 -0.14 -1.26 -4.89 119.74 116.25 1wel s LYS 469 Ca 0.00 -0.72 -0.43 0.00 -1.36 0.00 0.00 55.97 53.46 1wel s LYS 469 Cb 0.00 -2.78 -0.20 0.00 -1.68 0.00 0.00 37.83 33.17 1wel s LYS 469 CO 0.00 -0.17 1.33 0.00 -0.76 0.00 0.00 175.35 175.75 1wel n ALA 470 N 4.63 -2.39 0.30 5.17 0.00 -0.66 -0.84 120.51 126.72 1wel n ALA 470 Ca -0.19 0.54 0.18 0.00 0.00 0.00 0.00 53.44 53.97 1wel n ALA 470 Cb 0.51 -1.87 0.81 0.00 0.00 0.00 0.00 19.45 18.89 1wel n ALA 470 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1wel h THR 471 N 3.93 0.00 -0.20 0.00 1.35 -0.80 -3.41 112.91 113.77 1wel h THR 471 Ca -0.48 -0.31 0.00 0.00 -0.55 0.00 0.00 66.41 65.07 1wel h THR 471 Cb 1.39 1.25 0.00 0.00 -1.73 0.00 0.00 68.15 69.07 1wel h THR 471 CO 0.80 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.68 1wel n GLY 472 N -0.34 1.17 3.13 5.82 0.00 -1.26 -4.97 105.19 108.74 1wel n GLY 472 Ca -0.00 -0.29 -0.11 0.00 0.00 0.00 0.00 46.02 45.61 1wel n GLY 472 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wel s GLU 473 N -2.01 0.25 0.25 1.61 2.02 -1.26 -1.88 118.70 117.68 1wel s GLU 473 Ca 0.00 0.80 0.02 0.00 0.02 0.00 0.00 54.97 55.81 1wel s GLU 473 Cb 0.00 0.06 -0.05 0.00 0.10 0.00 0.00 34.13 34.23 1wel s GLU 473 CO 0.00 -0.23 0.06 0.20 0.02 0.00 0.00 175.26 175.31 1wel s GLY 474 N 2.11 1.70 -0.03 -1.39 0.00 -0.20 -1.53 107.32 107.98 1wel s GLY 474 Ca -0.03 -1.85 -0.05 0.00 0.00 0.00 0.00 44.72 42.79 1wel s GLY 474 CO -0.10 -1.63 0.12 -1.36 0.00 0.00 0.00 173.10 170.12 1wel s PHE 475 N -3.62 -0.07 -0.00 1.90 0.08 0.32 -1.14 117.98 115.46 1wel s PHE 475 Ca 0.34 0.16 -0.01 0.00 0.12 0.00 0.00 56.93 57.55 1wel s PHE 475 Cb 0.07 0.01 -0.00 0.00 -0.57 0.00 0.00 43.02 42.53 1wel s PHE 475 CO 0.12 -0.13 0.01 0.08 -0.10 0.00 0.00 175.22 175.20 1wel s VAL 476 N -0.40 0.03 -0.13 -0.44 1.01 -0.83 -1.20 120.40 118.43 1wel s VAL 476 Ca -0.05 -0.21 0.01 0.00 0.00 0.00 0.00 61.98 61.73 1wel s VAL 476 Cb -0.03 -0.10 0.02 0.00 0.00 0.00 0.00 36.38 36.27 1wel s VAL 476 CO 0.00 -0.12 -0.13 -0.70 0.00 0.00 0.00 175.10 174.16 1wel s GLU 477 N -0.34 2.14 -0.01 2.72 2.12 -1.26 0.21 118.70 124.28 1wel s GLU 477 Ca -0.04 -0.51 -0.20 0.00 0.36 0.00 0.00 54.97 54.59 1wel s GLU 477 Cb -0.02 -1.95 -0.05 0.00 0.26 0.00 0.00 34.13 32.36 1wel s GLU 477 CO -0.00 -0.19 0.57 -0.06 -0.54 0.00 0.00 175.26 175.03 1wel s PHE 478 N 1.38 3.68 0.11 5.30 0.08 -0.83 -3.25 117.98 124.45 1wel s PHE 478 Ca 0.02 1.16 -0.29 0.00 0.12 0.00 0.00 56.93 57.93 1wel s PHE 478 Cb -0.13 -2.57 -0.09 0.00 -0.57 0.00 0.00 43.02 39.65 1wel s PHE 478 CO -0.08 0.37 1.61 0.00 -0.10 0.00 0.00 175.22 177.02 1wel h ARG 479 N 5.62 -0.58 -7.22 0.44 2.47 -1.76 -3.43 114.38 109.92 1wel h ARG 479 Ca -0.45 0.04 -0.46 0.00 -1.26 0.00 0.00 59.98 57.85 1wel h ARG 479 Cb 1.20 0.13 0.09 0.00 -1.65 0.00 0.00 29.97 29.74 1wel h ARG 479 CO 0.69 -0.39 0.16 -0.80 0.56 0.00 0.00 179.97 180.20 1wel s ASN 480 N -4.73 4.41 -0.24 7.04 0.01 -1.26 -4.98 114.94 115.19 1wel s ASN 480 Ca -0.16 -0.02 0.05 0.00 -0.71 0.00 0.00 52.86 52.02 1wel s ASN 480 Cb 0.07 -0.45 -0.18 0.00 0.41 0.00 0.00 41.25 41.10 1wel s ASN 480 CO 0.64 -1.82 -0.17 1.21 -1.51 0.00 0.00 177.10 175.45 1wel n GLU 481 N -2.92 0.66 -0.27 -0.60 0.00 -1.26 -3.87 120.64 112.37 1wel n GLU 481 Ca 0.12 0.12 0.05 0.00 0.00 0.00 0.00 57.16 57.45 1wel n GLU 481 Cb 0.60 -1.51 0.19 0.00 0.00 0.00 0.00 31.44 30.72 1wel n GLU 481 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1wel h ALA 482 N 0.19 1.15 0.00 4.31 0.00 -1.98 0.26 119.26 123.17 1wel h ALA 482 Ca -0.56 0.08 -0.14 0.00 0.00 0.00 0.00 54.91 54.29 1wel h ALA 482 Cb 1.95 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.72 1wel h ALA 482 CO -0.07 -0.10 -0.68 0.38 0.00 0.00 0.00 179.25 178.78 1wel h ASP 483 N 0.58 0.00 -0.36 0.00 2.03 -1.99 -3.26 116.42 113.42 1wel h ASP 483 Ca 0.42 0.00 -0.03 0.00 -0.73 0.00 0.00 57.03 56.69 1wel h ASP 483 Cb 0.57 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.05 1wel h ASP 483 CO -0.35 0.68 0.11 0.22 -1.03 0.00 0.00 179.24 178.88 1wel h TYR 484 N 0.00 0.58 -0.52 4.15 3.20 -1.11 -2.63 116.97 120.63 1wel h TYR 484 Ca -0.01 -0.06 0.05 0.00 3.14 0.00 0.00 58.73 61.86 1wel h TYR 484 Cb 1.34 -0.17 -0.03 0.00 1.54 0.00 0.00 36.73 39.41 1wel h TYR 484 CO 0.00 0.56 0.35 0.87 -1.64 0.00 0.00 178.16 178.30 1wel h LYS 485 N 0.43 0.49 -0.47 1.82 1.57 -1.27 -1.24 116.57 117.90 1wel h LYS 485 Ca 0.12 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.80 1wel h LYS 485 Cb 0.25 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 1wel h LYS 485 CO -0.00 0.32 0.03 0.00 -0.57 0.00 0.00 179.45 179.23 1wel h ALA 486 N 1.71 1.17 -0.61 3.86 0.00 -1.53 -2.97 119.26 120.89 1wel h ALA 486 Ca 0.22 -0.24 0.12 0.00 0.00 0.00 0.00 54.91 55.01 1wel h ALA 486 Cb 0.24 -0.19 -0.10 0.00 0.00 0.00 0.00 17.79 17.74 1wel h ALA 486 CO -0.06 0.55 0.06 0.00 0.00 0.00 0.00 179.25 179.79 1wel h ALA 487 N 1.31 0.66 -0.91 0.00 0.00 -1.06 -0.08 119.26 119.19 1wel h ALA 487 Ca 0.15 0.16 0.15 0.00 0.00 0.00 0.00 54.91 55.37 1wel h ALA 487 Cb 0.40 0.26 -0.10 0.00 0.00 0.00 0.00 17.79 18.36 1wel h ALA 487 CO 0.01 -0.36 0.50 -0.07 0.00 0.00 0.00 179.25 179.34 1wel h LEU 488 N 0.17 0.64 -2.06 0.00 -0.00 -1.58 0.30 115.31 112.79 1wel h LEU 488 Ca 0.32 0.09 0.05 0.00 -0.00 0.00 0.00 57.88 58.33 1wel h LEU 488 Cb 0.51 -0.02 -0.01 0.00 -0.00 0.00 0.00 40.66 41.14 1wel h LEU 488 CO -0.47 0.27 0.34 0.00 -0.00 0.00 0.00 178.44 178.58 1wel n ARG 490 N -3.28 3.87 -2.88 0.00 1.74 0.11 -4.97 116.66 111.25 1wel n ARG 490 Ca 0.01 -3.45 -0.20 0.00 -0.77 0.00 0.00 57.85 53.45 1wel n ARG 490 Cb 0.44 -2.40 0.02 0.00 -1.02 0.00 0.00 32.46 29.50 1wel n ARG 490 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 1wel s HIS 491 N -2.57 2.90 -1.57 -1.55 2.46 -0.93 -4.39 115.29 109.65 1wel s HIS 491 Ca 0.52 -0.15 -0.19 0.00 0.47 0.00 0.00 55.06 55.70 1wel s HIS 491 Cb 0.29 -2.51 0.19 0.00 -0.13 0.00 0.00 32.58 30.42 1wel s HIS 491 CO -0.20 -0.58 0.52 0.36 -2.47 0.00 0.00 174.74 172.37 1wel n LYS 492 N -2.07 -1.32 -3.62 2.88 2.85 -1.25 -4.89 118.16 110.72 1wel n LYS 492 Ca 0.07 0.15 -0.29 0.00 -1.05 0.00 0.00 58.31 57.18 1wel n LYS 492 Cb 0.59 -4.73 -0.04 0.00 -0.65 0.00 0.00 35.03 30.20 1wel n LYS 492 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 177.40 176.70 1wel s GLN 493 N -6.84 3.59 -0.29 -1.58 -1.52 -1.10 -4.93 119.66 106.98 1wel s GLN 493 Ca 0.69 -0.16 -0.12 0.00 -1.95 0.00 0.00 55.36 53.82 1wel s GLN 493 Cb -0.40 -2.81 -0.04 0.00 -0.22 0.00 0.00 33.01 29.54 1wel s GLN 493 CO 0.85 0.40 0.22 0.71 -0.25 0.00 0.00 175.29 177.21 1wel s TYR 494 N -1.81 3.22 -1.11 0.91 1.51 -1.26 -1.34 117.35 117.48 1wel s TYR 494 Ca 0.41 0.10 -0.21 0.00 -1.01 0.00 0.00 57.07 56.35 1wel s TYR 494 Cb -0.11 -2.41 0.05 0.00 -0.11 0.00 0.00 41.96 39.37 1wel s TYR 494 CO 0.27 -0.19 1.58 1.41 -1.11 0.00 0.00 175.55 177.50 1wel s MET 495 N 1.79 3.64 0.26 -0.62 -2.45 0.16 -4.72 119.30 117.37 1wel s MET 495 Ca 0.08 -1.36 0.00 0.00 -1.25 0.00 0.00 55.69 53.16 1wel s MET 495 Cb -0.16 -5.40 0.00 0.00 1.25 0.00 0.00 34.83 30.52 1wel s MET 495 CO 0.11 -2.32 0.00 0.41 1.05 0.00 0.00 175.02 174.27 1wel n GLY 496 N 6.39 1.65 0.00 2.11 0.00 -1.26 -2.00 105.19 112.08 1wel n GLY 496 Ca 0.39 0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.70 1wel n GLY 496 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1wel n ASN 497 N 3.72 0.21 -4.88 1.61 4.13 -1.26 -5.07 115.26 113.72 1wel n ASN 497 Ca 0.00 -0.55 -0.24 0.00 1.68 0.00 0.00 54.58 55.48 1wel n ASN 497 Cb 0.00 0.49 -0.02 0.00 -1.54 0.00 0.00 39.78 38.71 1wel n ASN 497 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 1wel s ARG 498 N -0.49 2.35 -0.10 3.52 1.81 -0.85 -5.13 118.95 120.07 1wel s ARG 498 Ca 0.00 -1.81 0.03 0.00 -1.72 0.00 0.00 55.73 52.23 1wel s ARG 498 Cb 0.00 -2.21 -0.01 0.00 -0.45 0.00 0.00 34.95 32.28 1wel s ARG 498 CO 0.00 -0.42 -0.19 0.12 -0.68 0.00 0.00 175.30 174.12 1wel s PHE 499 N -2.64 2.64 -0.01 -0.53 5.36 -1.26 0.40 117.98 121.93 1wel s PHE 499 Ca 0.41 -0.75 0.03 0.00 -0.96 0.00 0.00 56.93 55.66 1wel s PHE 499 Cb -0.02 -1.73 -0.00 0.00 -0.34 0.00 0.00 43.02 40.93 1wel s PHE 499 CO 0.25 -0.25 -0.09 0.42 -1.46 0.00 0.00 175.22 174.09 1wel s ILE 500 N 0.14 0.73 0.00 3.12 1.09 -0.45 -4.38 121.20 121.45 1wel s ILE 500 Ca -0.10 -0.37 -0.01 0.00 -1.10 0.00 0.00 60.65 59.07 1wel s ILE 500 Cb -0.16 -0.63 -0.04 0.00 -1.06 0.00 0.00 42.46 40.58 1wel s ILE 500 CO 0.06 0.22 0.11 -1.10 -0.10 0.00 0.00 174.94 174.12 1wel s GLN 501 N -0.06 3.14 -0.12 2.79 -0.21 0.26 -2.72 119.66 122.74 1wel s GLN 501 Ca 0.01 -0.47 -0.01 0.00 0.02 0.00 0.00 55.36 54.91 1wel s GLN 501 Cb -0.05 -2.91 -0.03 0.00 1.00 0.00 0.00 33.01 31.02 1wel s GLN 501 CO -0.00 0.64 -0.07 0.08 -2.12 0.00 0.00 175.29 173.83 1wel s VAL 502 N -1.25 3.65 -0.03 1.09 1.01 -1.26 -1.92 120.40 121.69 1wel s VAL 502 Ca 0.25 -0.46 -0.01 0.00 0.00 0.00 0.00 61.98 61.75 1wel s VAL 502 Cb -0.12 -2.55 0.03 0.00 0.00 0.00 0.00 36.38 33.74 1wel s VAL 502 CO 0.16 0.54 0.07 -1.00 0.00 0.00 0.00 175.10 174.86 1wel s HIS 503 N -0.05 -0.03 0.02 5.22 3.76 -0.62 -4.85 115.29 118.73 1wel s HIS 503 Ca 0.00 0.23 -0.30 0.00 -0.15 0.00 0.00 55.06 54.84 1wel s HIS 503 Cb -0.13 -0.17 -0.06 0.00 1.11 0.00 0.00 32.58 33.32 1wel s HIS 503 CO 0.03 -0.11 1.43 -1.25 -0.85 0.00 0.00 174.74 173.99 1wel s PRO 504 N 1.02 4.28 0.06 8.40 0.04 -1.26 -0.14 135.00 147.39 1wel s PRO 504 Ca -0.08 2.02 0.03 0.00 0.04 0.00 0.00 61.00 63.01 1wel s PRO 504 Cb -0.12 -3.54 -0.03 0.00 0.04 0.00 0.00 34.50 30.86 1wel s PRO 504 CO -0.04 -0.58 -0.09 -1.50 0.04 0.00 0.00 177.00 174.84 1wel s ILE 505 N 2.28 0.70 0.11 0.56 2.07 -1.23 -4.89 121.20 120.80 1wel s ILE 505 Ca 0.65 -1.31 -0.26 0.00 -1.41 0.00 0.00 60.65 58.33 1wel s ILE 505 Cb -0.33 -0.92 -0.07 0.00 0.13 0.00 0.00 42.46 41.27 1wel s ILE 505 CO 0.28 -0.45 0.80 0.42 -1.91 0.00 0.00 174.94 174.08 1wel s THR 506 N -1.81 4.52 0.20 4.00 -4.23 -1.26 -3.60 115.64 113.47 1wel s THR 506 Ca -0.04 1.73 -0.08 0.00 -1.18 0.00 0.00 61.69 62.12 1wel s THR 506 Cb -0.07 -4.16 0.30 0.00 1.34 0.00 0.00 72.50 69.91 1wel s THR 506 CO -0.00 0.43 1.17 1.17 -0.54 0.00 0.00 174.62 176.85 1wel n LYS 507 N 2.24 -0.10 0.27 3.99 0.00 -1.26 0.30 118.16 123.60 1wel n LYS 507 Ca -0.03 1.17 -0.17 0.00 0.00 0.00 0.00 58.31 59.28 1wel n LYS 507 Cb 0.49 -1.74 -0.08 0.00 0.00 0.00 0.00 35.03 33.69 1wel n LYS 507 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.40 177.18 1wel h LYS 508 N 0.00 -0.83 -0.62 1.64 3.64 -1.93 -2.12 116.57 116.35 1wel h LYS 508 Ca 0.33 0.06 0.12 0.00 -1.27 0.00 0.00 60.65 59.89 1wel h LYS 508 Cb 0.52 0.19 -0.04 0.00 -0.41 0.00 0.00 32.23 32.49 1wel h LYS 508 CO -0.77 -0.55 0.42 0.78 -2.27 0.00 0.00 179.45 177.06 1wel h GLY 509 N -0.86 0.51 0.97 5.01 0.00 -0.53 -1.79 103.07 106.37 1wel h GLY 509 Ca -0.04 -0.14 -0.00 0.00 0.00 0.00 0.00 47.33 47.15 1wel h GLY 509 CO -0.04 0.07 0.06 1.98 0.00 0.00 0.00 176.54 178.61 1wel h MET 510 N 0.33 0.14 -0.58 4.80 1.85 -0.05 -2.90 114.93 118.52 1wel h MET 510 Ca 0.30 -0.01 -0.05 0.00 -0.61 0.00 0.00 59.70 59.32 1wel h MET 510 Cb 0.71 -0.03 -0.02 0.00 0.43 0.00 0.00 31.60 32.69 1wel h MET 510 CO -0.08 0.13 0.16 -0.07 -0.40 0.00 0.00 176.91 176.65 1wel h LEU 511 N 0.11 0.86 -1.00 3.39 3.38 -0.86 -3.08 115.31 118.11 1wel h LEU 511 Ca 0.04 -0.22 0.15 0.00 0.09 0.00 0.00 57.88 57.94 1wel h LEU 511 Cb 0.02 -0.23 -0.16 0.00 0.09 0.00 0.00 40.66 40.39 1wel h LEU 511 CO -0.01 0.85 -0.41 -0.33 0.09 0.00 0.00 178.44 178.63 1wel h GLU 512 N 0.82 -0.00 0.47 1.13 4.39 -1.17 0.06 114.58 120.28 1wel h GLU 512 Ca 0.18 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.86 1wel h GLU 512 Cb 0.31 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.97 1wel h GLU 512 CO -0.00 -0.00 -0.22 0.87 -1.16 0.00 0.00 179.01 178.49 1wel h LYS 513 N -0.00 -0.60 -1.13 2.33 1.57 -1.52 -2.33 116.57 114.89 1wel h LYS 513 Ca 0.33 0.04 0.33 0.00 -1.87 0.00 0.00 60.65 59.48 1wel h LYS 513 Cb 0.58 0.14 -0.05 0.00 0.08 0.00 0.00 32.23 32.98 1wel h LYS 513 CO -0.99 -0.37 1.17 0.82 -0.57 0.00 0.00 179.45 179.51 1wel h ILE 514 N -0.69 0.05 0.05 1.86 2.04 -0.93 0.57 117.51 120.46 1wel h ILE 514 Ca -0.06 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.79 1wel h ILE 514 Cb 0.51 0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.68 1wel h ILE 514 CO 0.11 0.00 -0.02 -0.78 0.00 0.00 0.00 178.15 177.45 1wel h ASP 515 N 0.00 -0.06 0.01 1.72 1.82 -0.76 -2.54 116.42 116.62 1wel h ASP 515 Ca 0.53 -0.61 -0.00 0.00 -0.39 0.00 0.00 57.03 56.57 1wel h ASP 515 Cb 2.86 0.01 -0.00 0.00 0.68 0.00 0.00 39.33 42.89 1wel h ASP 515 CO -0.01 0.65 -0.01 0.00 -1.61 0.00 0.00 179.24 178.27 1wel h MET 516 N -0.84 0.00 -0.00 0.28 -0.00 0.15 -2.31 114.93 112.21 1wel h MET 516 Ca -0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.69 1wel h MET 516 Cb 0.66 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.26 1wel h MET 516 CO 0.01 0.01 -0.02 0.82 -0.00 0.00 0.00 176.91 177.73 1wel h ILE 517 N 0.00 1.51 0.50 -0.10 2.04 -1.28 -3.23 117.51 116.96 1wel h ILE 517 Ca -0.00 -1.54 -0.01 0.00 1.00 0.00 0.00 64.86 64.31 1wel h ILE 517 Cb 0.01 2.55 -0.02 0.00 -0.74 0.00 0.00 36.82 38.62 1wel h ILE 517 CO 0.00 0.40 -0.50 0.03 0.00 0.00 0.00 178.15 178.09 1wel h ARG 518 N -0.62 -0.96 -0.90 2.37 3.08 -1.07 -2.83 114.38 113.46 1wel h ARG 518 Ca -0.00 0.07 0.13 0.00 0.07 0.00 0.00 59.98 60.24 1wel h ARG 518 Cb 0.67 0.22 -0.14 0.00 0.08 0.00 0.00 29.97 30.80 1wel h ARG 518 CO 0.00 -0.64 -0.38 1.63 -1.07 0.00 0.00 179.97 179.51 1wel n LYS 519 N -5.56 -0.24 -0.32 0.04 4.76 -0.90 0.40 118.16 116.33 1wel n LYS 519 Ca -0.12 1.38 0.03 0.00 -2.87 0.00 0.00 58.31 56.72 1wel n LYS 519 Cb 0.46 -2.04 0.10 0.00 -1.84 0.00 0.00 35.03 31.71 1wel n LYS 519 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1wel h ARG 520 N 0.00 -0.01 0.08 1.97 3.08 -1.51 -1.01 114.38 116.98 1wel h ARG 520 Ca 0.28 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.33 1wel h ARG 520 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.56 1wel h ARG 520 CO -0.88 -0.01 -0.04 -0.07 -1.07 0.00 0.00 179.97 177.90 1wel h LEU 521 N -0.01 -0.10 -8.88 3.04 3.38 -0.04 -3.43 115.31 109.27 1wel h LEU 521 Ca 0.40 -0.44 -0.62 0.00 0.09 0.00 0.00 57.88 57.31 1wel h LEU 521 Cb 0.64 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.41 1wel h LEU 521 CO -0.92 0.43 1.40 0.00 0.09 0.00 0.00 178.44 179.44 1wel n GLN 522 N -4.89 1.72 -3.88 1.13 1.13 0.34 -4.92 117.38 108.01 1wel n GLN 522 Ca -0.08 0.51 -0.33 0.00 -1.94 0.00 0.00 57.00 55.16 1wel n GLN 522 Cb 0.27 -2.87 -0.13 0.00 0.11 0.00 0.00 30.24 27.62 1wel n GLN 522 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 1wel s SER 523 N 7.23 4.73 0.00 1.08 1.04 -1.26 -4.81 113.70 121.72 1wel s SER 523 Ca 1.02 -2.74 0.00 0.00 0.48 0.00 0.00 55.95 54.72 1wel s SER 523 Cb -0.57 -1.72 0.00 0.00 0.10 0.00 0.00 66.02 63.83 1wel s SER 523 CO 0.43 -0.32 0.00 0.61 0.98 0.00 0.00 173.24 174.93 1wel n GLY 524 N 3.54 -0.16 3.57 7.32 0.00 -1.26 -5.00 105.19 113.20 1wel n GLY 524 Ca 0.05 -0.73 -0.40 0.00 0.00 0.00 0.00 46.02 44.94 1wel n GLY 524 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wel s PRO 525 N -0.10 2.91 0.47 1.61 0.04 -1.26 -4.97 135.00 133.69 1wel s PRO 525 Ca 0.00 0.86 -0.24 0.00 0.04 0.00 0.00 61.00 61.67 1wel s PRO 525 Cb 0.00 -4.30 -0.07 0.00 0.04 0.00 0.00 34.50 30.17 1wel s PRO 525 CO 0.00 -2.39 1.27 0.45 0.04 0.00 0.00 177.00 176.38 1wel s SER 526 N 7.16 5.95 0.16 6.66 0.15 -1.26 -4.95 113.70 127.58 1wel s SER 526 Ca 0.70 2.57 0.00 0.00 0.70 0.00 0.00 55.95 59.92 1wel s SER 526 Cb -0.15 -2.63 0.00 0.00 -1.71 0.00 0.00 66.02 61.53 1wel s SER 526 CO 0.25 -1.09 0.00 -0.24 1.20 0.00 0.00 173.24 173.37 1wel n SER 527 N -0.42 0.42 0.00 5.45 2.88 -1.26 -5.28 113.62 115.40 1wel n SER 527 Ca 0.07 0.27 0.00 0.00 -1.33 0.00 0.00 58.87 57.87 1wel n SER 527 Cb 0.45 0.02 0.00 0.00 -0.75 0.00 0.00 64.21 63.94 1wel n SER 527 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42