#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rpy n SER 405 N 0.00 0.36 -0.01 1.96 3.41 -1.26 -2.91 113.62 115.16 1rpy n SER 405 Ca 0.00 0.58 0.14 0.00 -0.26 0.00 0.00 58.87 59.32 1rpy n SER 405 Cb 0.00 -0.66 0.55 0.00 -0.26 0.00 0.00 64.21 63.84 1rpy n SER 405 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1rpy n ASP 406 N -1.88 0.16 -4.80 4.04 8.00 -1.26 -4.86 116.55 115.95 1rpy n ASP 406 Ca 0.03 0.16 -0.38 0.00 0.71 0.00 0.00 54.79 55.31 1rpy n ASP 406 Cb 0.23 -0.27 -0.06 0.00 -0.02 0.00 0.00 41.12 41.00 1rpy n ASP 406 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1rpy s TYR 407 N -2.91 3.70 0.49 1.24 2.02 -1.15 -4.98 117.35 115.76 1rpy s TYR 407 Ca 0.16 1.05 0.29 0.00 -0.37 0.00 0.00 57.07 58.20 1rpy s TYR 407 Cb 0.19 -2.41 1.63 0.00 -0.40 0.00 0.00 41.96 40.96 1rpy s TYR 407 CO 0.56 0.51 2.16 -1.35 -1.57 0.00 0.00 175.55 175.86 1rpy h PRO 408 N 5.15 0.00 -0.00 -1.71 0.11 -1.90 -2.20 132.00 131.45 1rpy h PRO 408 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1rpy h PRO 408 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1rpy h PRO 408 CO 0.65 0.07 -0.10 -2.67 -0.21 0.00 0.00 178.00 175.74 1rpy n TRP 409 N -3.72 0.00 -3.54 0.65 4.27 -1.26 -4.79 117.44 109.06 1rpy n TRP 409 Ca -0.02 0.00 -0.37 0.00 -3.89 0.00 0.00 57.50 53.22 1rpy n TRP 409 Cb 0.17 -0.14 -0.07 0.00 -1.36 0.00 0.00 31.31 29.90 1rpy n TRP 409 CO 0.00 0.00 0.00 0.12 -2.29 0.00 0.00 177.69 175.52 1rpy s PHE 410 N -2.39 3.42 -0.27 -2.67 5.36 -0.83 -1.10 117.98 119.51 1rpy s PHE 410 Ca 0.31 0.54 0.10 0.00 -0.96 0.00 0.00 56.93 56.92 1rpy s PHE 410 Cb 0.20 -2.35 0.46 0.00 -0.34 0.00 0.00 43.02 40.99 1rpy s PHE 410 CO 0.45 0.18 1.18 0.72 -1.46 0.00 0.00 175.22 176.29 1rpy n HIS 411 N 3.82 2.15 0.00 10.12 8.25 0.71 -4.91 115.22 135.35 1rpy n HIS 411 Ca -0.12 -2.08 0.00 0.00 -0.26 0.00 0.00 57.72 55.26 1rpy n HIS 411 Cb 0.52 -0.31 0.00 0.00 1.12 0.00 0.00 29.99 31.32 1rpy n HIS 411 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1rpy n GLY 412 N -0.72 1.21 0.00 -1.41 0.00 -1.26 -1.40 105.19 101.61 1rpy n GLY 412 Ca 0.35 0.28 0.04 0.00 0.00 0.00 0.00 46.02 46.69 1rpy n GLY 412 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1rpy n THR 413 N 0.00 0.00 -1.58 2.61 -2.24 -1.26 -0.21 114.28 111.59 1rpy n THR 413 Ca 0.00 0.00 -0.57 0.00 -2.27 0.00 0.00 64.05 61.21 1rpy n THR 413 Cb 0.00 -0.19 -0.07 0.00 -2.10 0.00 0.00 70.33 67.97 1rpy n THR 413 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1rpy n LEU 414 N -0.64 1.08 -4.80 3.22 7.94 -0.49 -4.89 117.00 118.41 1rpy n LEU 414 Ca 0.06 1.14 -0.31 0.00 -1.11 0.00 0.00 56.01 55.79 1rpy n LEU 414 Cb 0.03 -1.06 0.07 0.00 0.53 0.00 0.00 43.42 42.98 1rpy n LEU 414 CO 0.05 -1.28 0.71 -0.94 -1.11 0.00 0.00 177.39 174.82 1rpy s SER 415 N 0.86 5.05 0.13 1.96 1.04 -1.26 -4.65 113.70 116.83 1rpy s SER 415 Ca 0.90 1.65 -0.22 0.00 0.48 0.00 0.00 55.95 58.76 1rpy s SER 415 Cb -1.13 -2.47 -0.03 0.00 0.10 0.00 0.00 66.02 62.49 1rpy s SER 415 CO 0.56 -1.66 1.67 -0.09 0.98 0.00 0.00 173.24 174.70 1rpy h ARG 416 N -0.87 -0.19 -0.18 4.02 2.43 -1.92 0.10 114.38 117.77 1rpy h ARG 416 Ca -0.44 0.01 0.03 0.00 -0.81 0.00 0.00 59.98 58.77 1rpy h ARG 416 Cb 1.22 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.79 1rpy h ARG 416 CO 0.55 -0.12 0.01 0.28 -1.51 0.00 0.00 179.97 179.18 1rpy h VAL 417 N -0.19 0.88 0.00 0.20 2.07 -2.00 -1.32 116.25 115.89 1rpy h VAL 417 Ca 0.09 -0.02 -0.08 0.00 0.82 0.00 0.00 66.70 67.51 1rpy h VAL 417 Cb 0.32 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 1rpy h VAL 417 CO -0.22 0.01 -0.36 0.11 0.02 0.00 0.00 177.57 177.13 1rpy h LYS 418 N 0.07 0.00 -0.37 1.57 1.57 -1.87 -2.15 116.57 115.39 1rpy h LYS 418 Ca 0.08 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.71 1rpy h LYS 418 Cb 0.10 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 1rpy h LYS 418 CO -0.14 0.36 -0.36 0.00 -0.57 0.00 0.00 179.45 178.74 1rpy h ALA 419 N 1.64 0.54 -0.36 3.86 0.00 -0.37 -1.36 119.26 123.21 1rpy h ALA 419 Ca -0.00 -0.44 -0.03 0.00 0.00 0.00 0.00 54.91 54.43 1rpy h ALA 419 Cb 0.71 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1rpy h ALA 419 CO 0.05 0.62 0.09 0.00 0.00 0.00 0.00 179.25 180.01 1rpy h ALA 420 N 0.76 0.47 -0.82 0.00 0.00 -1.01 -1.70 119.26 116.97 1rpy h ALA 420 Ca 0.06 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1rpy h ALA 420 Cb 0.95 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.56 1rpy h ALA 420 CO 0.09 0.14 0.49 1.96 0.00 0.00 0.00 179.25 181.93 1rpy h GLN 421 N 0.43 1.12 -0.01 0.00 4.20 -1.32 -0.75 115.11 118.78 1rpy h GLN 421 Ca 0.11 -0.11 -0.00 0.00 0.06 0.00 0.00 58.65 58.72 1rpy h GLN 421 Cb 0.30 -0.23 -0.00 0.00 0.30 0.00 0.00 27.48 27.84 1rpy h GLN 421 CO 0.00 0.80 0.01 1.25 -0.67 0.00 0.00 178.83 180.22 1rpy h LEU 422 N 1.13 0.02 -0.51 1.46 6.46 -0.94 -2.19 115.31 120.74 1rpy h LEU 422 Ca 0.29 -0.04 0.00 0.00 -0.12 0.00 0.00 57.88 58.01 1rpy h LEU 422 Cb -0.03 -0.00 0.00 0.00 -0.73 0.00 0.00 40.66 39.90 1rpy h LEU 422 CO -0.05 0.06 0.00 -0.37 -0.62 0.00 0.00 178.44 177.45 1rpy h VAL 423 N -0.02 0.00 0.00 1.05 -1.51 -1.13 -3.07 116.25 111.56 1rpy h VAL 423 Ca 0.01 -0.55 0.00 0.00 -1.23 0.00 0.00 66.70 64.93 1rpy h VAL 423 Cb 0.04 1.48 0.00 0.00 -2.13 0.00 0.00 31.29 30.68 1rpy h VAL 423 CO -0.00 0.00 -0.49 0.18 -1.23 0.00 0.00 177.57 176.03 1rpy n LEU 424 N -2.64 0.49 -4.66 4.19 4.77 -0.30 -4.56 117.00 114.28 1rpy n LEU 424 Ca 0.03 0.03 -0.42 0.00 -0.03 0.00 0.00 56.01 55.62 1rpy n LEU 424 Cb 0.38 -0.26 -0.03 0.00 -2.33 0.00 0.00 43.42 41.18 1rpy n LEU 424 CO 0.28 0.11 1.51 0.00 -1.33 0.00 0.00 177.39 177.96 1rpy s ALA 425 N -3.01 3.61 0.00 -1.18 0.00 -0.85 -0.28 121.76 120.05 1rpy s ALA 425 Ca 0.11 1.19 0.00 0.00 0.00 0.00 0.00 51.96 53.26 1rpy s ALA 425 Cb 0.17 -3.80 0.00 0.00 0.00 0.00 0.00 23.12 19.49 1rpy s ALA 425 CO 0.69 -1.48 0.00 0.41 0.00 0.00 0.00 175.76 175.39 1rpy n GLY 426 N 4.37 0.57 7.00 0.00 0.00 -1.26 -4.67 105.19 111.20 1rpy n GLY 426 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1rpy n GLY 426 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rpy n GLY 427 N -1.29 1.29 0.43 -0.02 0.00 0.61 -2.55 105.19 103.65 1rpy n GLY 427 Ca 0.00 -0.56 0.23 0.00 0.00 0.00 0.00 46.02 45.70 1rpy n GLY 427 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1rpy h PRO 428 N 0.00 0.00 0.00 1.61 0.11 -1.85 0.47 132.00 132.34 1rpy h PRO 428 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1rpy h PRO 428 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1rpy h PRO 428 CO 0.00 0.00 0.00 0.54 -0.21 0.00 0.00 178.00 178.33 1rpy n ARG 429 N -3.78 0.20 -0.55 1.05 1.74 -1.06 -2.02 116.66 112.24 1rpy n ARG 429 Ca 0.12 0.43 0.07 0.00 -0.77 0.00 0.00 57.85 57.70 1rpy n ARG 429 Cb 0.82 -1.88 0.29 0.00 -1.02 0.00 0.00 32.46 30.66 1rpy n ARG 429 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1rpy n SER 430 N -2.26 4.05 -4.62 0.55 7.64 0.16 -4.96 113.62 114.18 1rpy n SER 430 Ca 0.02 -2.46 -0.56 0.00 1.01 0.00 0.00 58.87 56.88 1rpy n SER 430 Cb 0.23 -0.55 -0.07 0.00 -1.01 0.00 0.00 64.21 62.81 1rpy n SER 430 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 1rpy n HIS 431 N 0.70 1.51 0.00 1.43 -0.00 -0.86 -0.83 115.22 117.18 1rpy n HIS 431 Ca 0.20 0.73 0.00 0.00 -0.00 0.00 0.00 57.72 58.65 1rpy n HIS 431 Cb 0.80 -2.31 0.00 0.00 -0.00 0.00 0.00 29.99 28.48 1rpy n HIS 431 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1rpy n GLY 432 N 2.88 3.47 3.76 1.57 0.00 0.28 -5.00 105.19 112.16 1rpy n GLY 432 Ca 0.22 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.83 1rpy n GLY 432 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1rpy s LEU 433 N 0.00 4.35 0.25 0.99 2.96 -0.01 -4.75 118.68 122.47 1rpy s LEU 433 Ca 0.00 2.93 -0.10 0.00 -0.22 0.00 0.00 54.13 56.73 1rpy s LEU 433 Cb 0.00 -3.65 -0.01 0.00 0.50 0.00 0.00 46.19 43.03 1rpy s LEU 433 CO 0.00 -0.83 0.42 0.72 -1.32 0.00 0.00 176.35 175.35 1rpy s PHE 434 N -0.61 0.54 -0.03 5.38 -0.12 -1.26 -1.02 117.98 120.86 1rpy s PHE 434 Ca 0.57 -0.87 -0.18 0.00 -0.05 0.00 0.00 56.93 56.40 1rpy s PHE 434 Cb -0.46 0.06 0.03 0.00 -0.63 0.00 0.00 43.02 42.02 1rpy s PHE 434 CO 0.54 -0.95 0.39 0.14 -0.05 0.00 0.00 175.22 175.29 1rpy s VAL 435 N -3.96 0.04 -0.14 -2.49 -7.23 -0.15 -4.98 120.40 101.50 1rpy s VAL 435 Ca 0.26 -0.36 -0.02 0.00 -1.81 0.00 0.00 61.98 60.05 1rpy s VAL 435 Cb 0.01 -0.68 -0.02 0.00 0.56 0.00 0.00 36.38 36.24 1rpy s VAL 435 CO 0.10 -0.20 -0.07 -0.63 -0.31 0.00 0.00 175.10 174.00 1rpy s ILE 436 N -1.20 3.60 0.14 -0.62 -1.09 -0.26 -0.98 121.20 120.80 1rpy s ILE 436 Ca -0.12 -0.47 -0.04 0.00 -2.23 0.00 0.00 60.65 57.79 1rpy s ILE 436 Cb -0.04 -2.55 -0.03 0.00 -1.58 0.00 0.00 42.46 38.26 1rpy s ILE 436 CO 0.05 0.51 0.13 0.00 -1.23 0.00 0.00 174.94 174.41 1rpy s ARG 437 N 0.24 1.02 0.20 2.79 1.70 -0.55 -0.21 118.95 124.13 1rpy s ARG 437 Ca -0.05 -1.36 -0.29 0.00 -0.47 0.00 0.00 55.73 53.56 1rpy s ARG 437 Cb -0.14 0.29 -0.08 0.00 -0.57 0.00 0.00 34.95 34.44 1rpy s ARG 437 CO 0.04 -0.32 0.92 -1.14 -1.08 0.00 0.00 175.30 173.72 1rpy s GLN 438 N -4.03 4.78 0.27 3.89 0.74 0.71 0.45 119.66 126.47 1rpy s GLN 438 Ca 0.23 1.43 -0.29 0.00 0.05 0.00 0.00 55.36 56.77 1rpy s GLN 438 Cb 0.06 -3.30 -0.10 0.00 1.10 0.00 0.00 33.01 30.77 1rpy s GLN 438 CO 0.02 0.45 1.31 0.45 -0.55 0.00 0.00 175.29 176.97 1rpy s SER 439 N -0.89 6.83 0.01 6.67 0.15 -0.00 -4.74 113.70 121.72 1rpy s SER 439 Ca 0.42 2.56 -0.14 0.00 0.70 0.00 0.00 55.95 59.49 1rpy s SER 439 Cb -0.25 -2.63 -0.34 0.00 -1.71 0.00 0.00 66.02 61.09 1rpy s SER 439 CO 0.31 -0.53 0.91 -0.33 1.20 0.00 0.00 173.24 174.80 1rpy h GLU 440 N 4.32 0.50 0.03 5.44 5.08 -1.90 -3.29 114.58 124.75 1rpy h GLU 440 Ca -0.47 -0.85 -0.24 0.00 -1.00 0.00 0.00 59.36 56.80 1rpy h GLU 440 Cb 1.22 0.32 -0.03 0.00 0.50 0.00 0.00 28.75 30.76 1rpy h GLU 440 CO 0.71 1.41 -1.21 1.79 -1.00 0.00 0.00 179.01 180.71 1rpy h THR 441 N 0.14 1.49 -2.98 1.13 1.35 -1.98 -3.39 112.91 108.66 1rpy h THR 441 Ca -0.28 -3.19 -0.62 0.00 -0.55 0.00 0.00 66.41 61.77 1rpy h THR 441 Cb 2.15 2.78 -0.41 0.00 -1.73 0.00 0.00 68.15 70.94 1rpy h THR 441 CO 0.25 0.87 -0.63 -0.13 -0.25 0.00 0.00 175.52 175.63 1rpy s ARG 442 N -2.67 2.23 0.42 4.72 0.52 -1.26 -4.98 118.95 117.92 1rpy s ARG 442 Ca -0.02 -3.16 0.26 0.00 -0.52 0.00 0.00 55.73 52.29 1rpy s ARG 442 Cb 0.09 -3.12 1.35 0.00 0.52 0.00 0.00 34.95 33.78 1rpy s ARG 442 CO 0.83 -1.30 1.64 -1.35 0.02 0.00 0.00 175.30 175.14 1rpy h PRO 443 N 5.44 0.13 0.00 3.54 0.11 -1.77 0.56 132.00 140.01 1rpy h PRO 443 Ca 0.16 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.27 1rpy h PRO 443 Cb 0.78 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.86 1rpy h PRO 443 CO 0.67 0.09 0.00 0.41 -0.21 0.00 0.00 178.00 178.95 1rpy n GLY 444 N -1.47 -0.87 3.56 -0.55 0.00 -1.26 -4.72 105.19 99.88 1rpy n GLY 444 Ca 0.35 -0.11 -0.26 0.00 0.00 0.00 0.00 46.02 46.01 1rpy n GLY 444 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1rpy s GLU 445 N -2.40 1.87 0.31 1.61 2.02 0.19 -5.03 118.70 117.26 1rpy s GLU 445 Ca 0.23 -2.08 0.10 0.00 0.02 0.00 0.00 54.97 53.24 1rpy s GLU 445 Cb 0.14 -1.25 -0.05 0.00 0.10 0.00 0.00 34.13 33.07 1rpy s GLU 445 CO 0.29 -0.17 -0.07 0.00 0.02 0.00 0.00 175.26 175.32 1rpy s VAL 447 N -2.49 1.23 -0.33 0.00 1.01 0.17 -1.10 120.40 118.88 1rpy s VAL 447 Ca 0.32 -0.88 -0.11 0.00 0.00 0.00 0.00 61.98 61.32 1rpy s VAL 447 Cb -0.03 -1.07 -0.00 0.00 0.00 0.00 0.00 36.38 35.29 1rpy s VAL 447 CO 0.18 0.18 0.19 -0.22 0.00 0.00 0.00 175.10 175.42 1rpy s LEU 448 N -0.81 4.37 -0.19 3.92 2.96 0.10 -1.49 118.68 127.54 1rpy s LEU 448 Ca 0.04 -0.62 -0.04 0.00 -0.22 0.00 0.00 54.13 53.29 1rpy s LEU 448 Cb -0.07 -2.04 -0.02 0.00 0.50 0.00 0.00 46.19 44.56 1rpy s LEU 448 CO 0.01 -0.26 -0.04 -0.89 -1.32 0.00 0.00 176.35 173.85 1rpy s THR 449 N 1.63 3.63 0.10 3.68 2.01 -0.15 0.25 115.64 126.79 1rpy s THR 449 Ca 0.04 -0.43 -0.02 0.00 0.31 0.00 0.00 61.69 61.60 1rpy s THR 449 Cb -0.18 -2.62 -0.03 0.00 0.01 0.00 0.00 72.50 69.68 1rpy s THR 449 CO 0.07 0.45 0.06 0.72 -0.69 0.00 0.00 174.62 175.23 1rpy s PHE 450 N 0.99 0.67 -0.30 4.92 -0.12 -0.19 -0.98 117.98 122.97 1rpy s PHE 450 Ca 0.00 -1.10 -0.17 0.00 -0.05 0.00 0.00 56.93 55.61 1rpy s PHE 450 Cb -0.15 -0.39 -0.02 0.00 -0.63 0.00 0.00 43.02 41.84 1rpy s PHE 450 CO 0.01 -0.49 0.48 1.21 -0.05 0.00 0.00 175.22 176.38 1rpy s ASN 451 N -2.99 6.35 -0.28 1.98 3.84 -0.19 -0.38 114.94 123.28 1rpy s ASN 451 Ca 0.17 0.27 0.03 0.00 0.21 0.00 0.00 52.86 53.54 1rpy s ASN 451 Cb 0.07 -2.26 0.07 0.00 -0.55 0.00 0.00 41.25 38.58 1rpy s ASN 451 CO -0.03 -0.34 -0.06 0.12 -2.79 0.00 0.00 177.10 174.01 1rpy s PHE 452 N 2.29 3.40 -1.61 0.43 5.36 0.40 -0.56 117.98 127.70 1rpy s PHE 452 Ca 0.19 -2.47 -0.14 0.00 -0.96 0.00 0.00 56.93 53.55 1rpy s PHE 452 Cb -0.16 -2.21 0.11 0.00 -0.34 0.00 0.00 43.02 40.43 1rpy s PHE 452 CO 0.11 -0.89 0.78 1.04 -1.46 0.00 0.00 175.22 174.79 1rpy n GLN 453 N 4.40 -3.81 -0.46 10.12 6.02 -1.26 -1.66 117.38 130.73 1rpy n GLN 453 Ca -0.09 0.44 0.00 0.00 -0.01 0.00 0.00 57.00 57.33 1rpy n GLN 453 Cb 0.42 -5.11 0.00 0.00 1.02 0.00 0.00 30.24 26.57 1rpy n GLN 453 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1rpy n GLY 454 N -1.57 0.74 3.27 1.08 0.00 -1.26 -4.67 105.19 102.78 1rpy n GLY 454 Ca -0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 1rpy n GLY 454 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rpy s LYS 455 N -0.54 1.70 -0.01 1.61 1.02 -0.67 -4.75 119.74 118.09 1rpy s LYS 455 Ca 0.00 -0.91 -0.25 0.00 0.02 0.00 0.00 55.97 54.84 1rpy s LYS 455 Cb 0.00 -1.73 -0.04 0.00 -0.52 0.00 0.00 37.83 35.53 1rpy s LYS 455 CO 0.00 0.46 0.76 0.00 -0.92 0.00 0.00 175.35 175.66 1rpy s ALA 456 N -0.66 3.33 0.11 5.17 0.00 -1.26 -0.45 121.76 128.00 1rpy s ALA 456 Ca 0.09 0.25 0.10 0.00 0.00 0.00 0.00 51.96 52.40 1rpy s ALA 456 Cb -0.09 -3.02 -0.04 0.00 0.00 0.00 0.00 23.12 19.97 1rpy s ALA 456 CO 0.00 -0.05 -0.26 0.15 0.00 0.00 0.00 175.76 175.60 1rpy s LYS 457 N 0.47 1.43 -0.13 0.00 -0.14 0.49 -4.96 119.74 116.91 1rpy s LYS 457 Ca 0.40 -1.29 -0.00 0.00 -1.36 0.00 0.00 55.97 53.72 1rpy s LYS 457 Cb -0.19 -1.85 0.03 0.00 -1.68 0.00 0.00 37.83 34.13 1rpy s LYS 457 CO 0.21 0.45 -0.08 -1.01 -0.76 0.00 0.00 175.35 174.16 1rpy s HIS 458 N -1.02 1.62 -0.20 3.18 3.76 -1.26 -1.02 115.29 120.34 1rpy s HIS 458 Ca 0.13 -0.86 -0.02 0.00 -0.15 0.00 0.00 55.06 54.15 1rpy s HIS 458 Cb -0.10 -1.30 -0.00 0.00 1.11 0.00 0.00 32.58 32.29 1rpy s HIS 458 CO 0.05 -0.55 -0.09 -1.17 -0.85 0.00 0.00 174.74 172.13 1rpy s LEU 459 N 1.67 2.71 0.17 0.89 0.20 0.14 -4.93 118.68 119.52 1rpy s LEU 459 Ca 0.04 -0.44 -0.30 0.00 0.69 0.00 0.00 54.13 54.12 1rpy s LEU 459 Cb -0.13 -1.67 -0.08 0.00 -0.43 0.00 0.00 46.19 43.88 1rpy s LEU 459 CO -0.09 0.00 1.30 -0.13 -0.29 0.00 0.00 176.35 177.15 1rpy s ARG 460 N 1.32 4.39 -0.45 1.98 0.52 -1.26 0.00 118.95 125.45 1rpy s ARG 460 Ca 0.04 2.01 0.01 0.00 -0.52 0.00 0.00 55.73 57.28 1rpy s ARG 460 Cb -0.14 -3.22 0.12 0.00 0.52 0.00 0.00 34.95 32.23 1rpy s ARG 460 CO -0.05 -0.27 0.21 -0.51 0.02 0.00 0.00 175.30 174.70 1rpy s LEU 461 N 0.20 4.83 -0.70 2.53 1.43 -0.26 -4.90 118.68 121.80 1rpy s LEU 461 Ca 0.58 -2.48 0.00 0.00 -1.03 0.00 0.00 54.13 51.20 1rpy s LEU 461 Cb -0.35 -1.71 0.17 0.00 0.03 0.00 0.00 46.19 44.33 1rpy s LEU 461 CO 0.36 -0.37 0.52 -0.94 0.23 0.00 0.00 176.35 176.14 1rpy s SER 462 N 0.74 5.19 -0.33 2.29 1.04 -1.26 -2.97 113.70 118.40 1rpy s SER 462 Ca 0.13 -3.35 -0.03 0.00 0.48 0.00 0.00 55.95 53.17 1rpy s SER 462 Cb -0.22 -1.78 0.06 0.00 0.10 0.00 0.00 66.02 64.17 1rpy s SER 462 CO -0.04 -0.23 2.64 0.61 0.98 0.00 0.00 173.24 177.20 1rpy n GLY 467 N 2.75 4.00 1.42 7.32 0.00 -1.26 -5.03 105.19 114.39 1rpy n GLY 467 Ca 0.14 -1.47 0.03 0.00 0.00 0.00 0.00 46.02 44.72 1rpy n GLY 467 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1rpy n GLN 468 N 0.98 0.59 -0.30 1.61 6.02 -1.26 -4.87 117.38 120.15 1rpy n GLN 468 Ca 0.40 -2.47 -0.01 0.00 -0.01 0.00 0.00 57.00 54.91 1rpy n GLN 468 Cb 0.61 -0.55 0.17 0.00 1.02 0.00 0.00 30.24 31.48 1rpy n GLN 468 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1rpy h HIS 470 N 1.19 -0.08 -0.67 0.00 -0.00 -2.00 -0.92 115.15 112.68 1rpy h HIS 470 Ca 0.32 -0.00 0.03 0.00 -0.00 0.00 0.00 60.37 60.72 1rpy h HIS 470 Cb -0.10 0.03 -0.04 0.00 -0.00 0.00 0.00 27.41 27.30 1rpy h HIS 470 CO 0.00 0.07 0.44 0.28 -0.00 0.00 0.00 177.93 178.72 1rpy h VAL 471 N -0.22 1.10 -0.74 5.26 2.07 -1.89 -0.17 116.25 121.65 1rpy h VAL 471 Ca -0.01 -0.28 -0.04 0.00 0.82 0.00 0.00 66.70 67.19 1rpy h VAL 471 Cb 0.19 0.22 -0.03 0.00 -1.52 0.00 0.00 31.29 30.15 1rpy h VAL 471 CO 0.02 0.15 0.29 -0.61 0.02 0.00 0.00 177.57 177.43 1rpy h GLN 472 N 0.81 1.10 -0.70 1.57 4.15 -0.68 -1.35 115.11 120.00 1rpy h GLN 472 Ca 0.26 -0.20 -0.07 0.00 0.77 0.00 0.00 58.65 59.42 1rpy h GLN 472 Cb 0.05 -0.18 -0.03 0.00 0.21 0.00 0.00 27.48 27.53 1rpy h GLN 472 CO -0.07 0.90 0.17 0.45 -1.93 0.00 0.00 178.83 178.35 1rpy h HIS 473 N 1.07 1.17 -0.82 3.99 3.86 0.32 -1.67 115.15 123.08 1rpy h HIS 473 Ca 0.25 -0.14 0.00 0.00 -1.16 0.00 0.00 60.37 59.32 1rpy h HIS 473 Cb 0.21 -0.33 -0.04 0.00 1.06 0.00 0.00 27.41 28.31 1rpy h HIS 473 CO 0.02 0.95 0.51 -0.07 0.86 0.00 0.00 177.93 180.20 1rpy h LEU 474 N 1.06 0.97 0.23 2.43 3.38 -0.55 0.64 115.31 123.47 1rpy h LEU 474 Ca 0.22 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 1rpy h LEU 474 Cb 0.37 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1rpy h LEU 474 CO 0.00 0.73 -0.11 -0.25 0.09 0.00 0.00 178.44 178.90 1rpy h TRP 475 N 1.12 -0.29 -0.56 1.13 2.91 -0.77 -0.70 115.95 118.78 1rpy h TRP 475 Ca 0.30 -0.01 -0.00 0.00 1.13 0.00 0.00 58.89 60.31 1rpy h TRP 475 Cb -0.07 0.10 -0.03 0.00 -0.51 0.00 0.00 29.16 28.64 1rpy h TRP 475 CO -0.01 -0.11 0.34 0.74 -1.03 0.00 0.00 178.44 178.37 1rpy h PHE 476 N -0.41 0.73 -0.71 2.65 0.04 -1.02 -1.14 116.94 117.08 1rpy h PHE 476 Ca -0.03 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.69 1rpy h PHE 476 Cb 0.31 -0.24 -0.03 0.00 2.20 0.00 0.00 35.95 38.19 1rpy h PHE 476 CO -0.03 0.49 0.22 0.37 -0.60 0.00 0.00 178.31 178.75 1rpy h GLN 477 N 0.77 1.10 -0.47 1.51 5.75 -0.64 0.28 115.11 123.41 1rpy h GLN 477 Ca 0.20 -0.23 -0.06 0.00 -0.15 0.00 0.00 58.65 58.41 1rpy h GLN 477 Cb -0.03 -0.16 -0.02 0.00 1.07 0.00 0.00 27.48 28.34 1rpy h GLN 477 CO -0.04 0.94 0.05 0.77 -2.65 0.00 0.00 178.83 177.90 1rpy h SER 478 N 1.06 0.77 -0.54 -0.69 0.02 0.02 0.12 113.55 114.30 1rpy h SER 478 Ca 0.23 -0.28 -0.04 0.00 -0.84 0.00 0.00 61.79 60.86 1rpy h SER 478 Cb 0.30 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.61 1rpy h SER 478 CO -0.01 0.86 0.19 0.58 -1.14 0.00 0.00 176.83 177.31 1rpy h VAL 479 N 0.66 1.23 -0.97 2.27 2.07 -0.97 -2.49 116.25 118.05 1rpy h VAL 479 Ca 0.14 -0.75 0.02 0.00 0.82 0.00 0.00 66.70 66.92 1rpy h VAL 479 Cb 0.44 0.70 -0.05 0.00 -1.52 0.00 0.00 31.29 30.86 1rpy h VAL 479 CO 0.02 0.28 0.64 0.15 0.02 0.00 0.00 177.57 178.68 1rpy h PHE 480 N 0.75 1.22 0.00 1.57 3.57 -0.60 -2.81 116.94 120.64 1rpy h PHE 480 Ca 0.18 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.71 1rpy h PHE 480 Cb 0.25 -0.41 0.00 0.00 2.79 0.00 0.00 35.95 38.58 1rpy h PHE 480 CO 0.01 0.75 0.00 -0.25 -2.23 0.00 0.00 178.31 176.60 1rpy n ASP 481 N -4.40 0.00 0.00 0.41 8.00 -0.00 -0.85 116.55 119.71 1rpy n ASP 481 Ca 0.12 -0.08 0.00 0.00 0.71 0.00 0.00 54.79 55.54 1rpy n ASP 481 Cb 0.03 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.13 1rpy n ASP 481 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1rpy n LEU 483 N 1.02 0.00 -0.30 0.64 4.77 -1.06 -2.07 117.00 120.00 1rpy n LEU 483 Ca 0.00 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 56.03 1rpy n LEU 483 Cb 0.00 0.00 0.25 0.00 -2.33 0.00 0.00 43.42 41.34 1rpy n LEU 483 CO 0.00 0.00 1.25 -0.09 -1.33 0.00 0.00 177.39 177.22 1rpy h ARG 484 N 0.00 0.97 -0.90 3.23 2.43 -1.29 -1.12 114.38 117.70 1rpy h ARG 484 Ca 0.00 -0.06 0.02 0.00 -0.81 0.00 0.00 59.98 59.13 1rpy h ARG 484 Cb 0.00 -0.22 -0.05 0.00 -0.42 0.00 0.00 29.97 29.28 1rpy h ARG 484 CO 0.00 0.64 0.59 1.25 -1.51 0.00 0.00 179.97 180.94 1rpy h HIS 485 N 1.00 1.11 -0.29 2.20 2.76 -1.66 -0.32 115.15 119.95 1rpy h HIS 485 Ca 0.39 0.03 -0.08 0.00 -2.20 0.00 0.00 60.37 58.51 1rpy h HIS 485 Cb 0.24 -0.38 -0.02 0.00 1.55 0.00 0.00 27.41 28.81 1rpy h HIS 485 CO -0.00 0.68 -0.16 0.74 -1.30 0.00 0.00 177.93 177.90 1rpy h PHE 486 N 1.18 0.56 -0.31 5.26 -1.00 -1.50 0.11 116.94 121.24 1rpy h PHE 486 Ca 0.34 -0.10 -0.09 0.00 2.81 0.00 0.00 57.97 60.93 1rpy h PHE 486 Cb -0.09 -0.15 -0.05 0.00 3.61 0.00 0.00 35.95 39.27 1rpy h PHE 486 CO -0.00 0.65 0.11 0.72 -1.61 0.00 0.00 178.31 178.18 1rpy n HIS 487 N -4.18 1.04 0.00 -0.55 8.25 -0.17 -2.85 115.22 116.76 1rpy n HIS 487 Ca 0.00 -0.61 0.00 0.00 -0.26 0.00 0.00 57.72 56.85 1rpy n HIS 487 Cb 0.35 -0.38 0.00 0.00 1.12 0.00 0.00 29.99 31.07 1rpy n HIS 487 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1rpy n THR 488 N 0.08 0.00 -2.98 1.59 -2.24 -0.94 -4.90 114.28 104.89 1rpy n THR 488 Ca 0.17 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.70 1rpy n THR 488 Cb 0.79 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.98 1rpy n THR 488 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1rpy n HIS 489 N -0.68 3.09 -1.33 4.78 8.25 0.36 -5.09 115.22 124.60 1rpy n HIS 489 Ca 0.00 -3.91 -0.35 0.00 -0.26 0.00 0.00 57.72 53.20 1rpy n HIS 489 Cb 0.00 -0.46 0.10 0.00 1.12 0.00 0.00 29.99 30.76 1rpy n HIS 489 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1rpy n PRO 490 N -0.13 0.51 -2.38 -0.41 -0.04 -1.13 -4.70 135.00 126.72 1rpy n PRO 490 Ca 0.30 0.24 -0.43 0.00 -0.04 0.00 0.00 63.50 63.57 1rpy n PRO 490 Cb 0.47 -2.43 -0.02 0.00 -0.04 0.00 0.00 33.50 31.47 1rpy n PRO 490 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 1rpy s ILE 491 N -1.85 4.15 0.56 0.52 1.10 -1.26 -4.97 121.20 119.45 1rpy s ILE 491 Ca 0.76 1.44 -0.21 0.00 -0.51 0.00 0.00 60.65 62.13 1rpy s ILE 491 Cb -0.33 -3.93 -0.04 0.00 0.15 0.00 0.00 42.46 38.32 1rpy s ILE 491 CO 0.48 -0.08 1.34 -0.81 -2.11 0.00 0.00 174.94 173.76 1rpy n PRO 492 N 6.10 1.58 0.00 3.50 -0.04 -1.26 -5.25 135.00 139.63 1rpy n PRO 492 Ca 0.13 0.59 0.14 0.00 -0.04 0.00 0.00 63.50 64.32 1rpy n PRO 492 Cb 0.45 -2.56 0.47 0.00 -0.04 0.00 0.00 33.50 31.82 1rpy n PRO 492 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35