#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rok n SER 424 N 0.00 0.28 0.07 1.61 7.64 -1.26 -4.87 113.62 117.10 2rok n SER 424 Ca 0.00 -1.14 0.10 0.00 1.01 0.00 0.00 58.87 58.85 2rok n SER 424 Cb 0.00 0.00 0.43 0.00 -1.01 0.00 0.00 64.21 63.63 2rok n SER 424 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2rok n SER 425 N -0.07 0.39 -1.84 6.43 3.41 -1.26 -4.95 113.62 115.73 2rok n SER 425 Ca 0.00 0.58 0.01 0.00 -0.26 0.00 0.00 58.87 59.20 2rok n SER 425 Cb 0.46 -0.67 0.00 0.00 -0.26 0.00 0.00 64.21 63.74 2rok n SER 425 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2rok n GLY 426 N 0.27 0.40 0.08 5.00 0.00 -1.26 -5.07 105.19 104.60 2rok n GLY 426 Ca 0.03 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.18 2rok n GLY 426 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2rok n SER 427 N -0.35 0.53 -4.06 1.61 3.41 -1.26 -5.05 113.62 108.46 2rok n SER 427 Ca 0.02 -1.46 -0.11 0.00 -0.26 0.00 0.00 58.87 57.06 2rok n SER 427 Cb 0.17 -0.05 -0.08 0.00 -0.26 0.00 0.00 64.21 63.99 2rok n SER 427 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2rok s SER 428 N -0.49 0.09 -0.21 4.04 1.04 -1.26 -5.11 113.70 111.79 2rok s SER 428 Ca 0.02 -1.19 0.08 0.00 0.48 0.00 0.00 55.95 55.34 2rok s SER 428 Cb 0.01 0.49 0.26 0.00 0.10 0.00 0.00 66.02 66.88 2rok s SER 428 CO 0.00 -1.00 1.30 0.61 0.98 0.00 0.00 173.24 175.14 2rok n GLY 429 N -0.34 1.40 2.58 7.32 0.00 -1.26 -5.02 105.19 109.86 2rok n GLY 429 Ca 0.00 -0.11 -0.11 0.00 0.00 0.00 0.00 46.02 45.81 2rok n GLY 429 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2rok n GLY 430 N -0.97 1.52 0.00 -0.02 0.00 -1.26 -5.01 105.19 99.44 2rok n GLY 430 Ca -0.20 -0.51 0.12 0.00 0.00 0.00 0.00 46.02 45.43 2rok n GLY 430 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2rok n PRO 431 N 0.22 0.59 -3.99 1.61 -0.04 -1.26 -4.85 135.00 127.29 2rok n PRO 431 Ca 0.10 0.03 -0.09 0.00 -0.04 0.00 0.00 63.50 63.50 2rok n PRO 431 Cb 0.71 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.56 2rok n PRO 431 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2rok s ASP 432 N -2.25 0.26 -1.33 3.54 2.15 -1.26 -5.08 116.67 112.70 2rok s ASP 432 Ca 0.31 -0.53 -0.09 0.00 0.43 0.00 0.00 52.55 52.67 2rok s ASP 432 Cb 0.17 0.11 -0.11 0.00 -0.30 0.00 0.00 42.92 42.79 2rok s ASP 432 CO 0.33 -0.32 2.93 0.18 -0.17 0.00 0.00 175.17 178.12 2rok n LEU 433 N 1.50 7.83 -4.64 -1.34 4.77 -1.26 -4.98 117.00 118.89 2rok n LEU 433 Ca -0.23 -4.02 -0.48 0.00 -0.03 0.00 0.00 56.01 51.25 2rok n LEU 433 Cb 0.55 -1.48 -0.04 0.00 -2.33 0.00 0.00 43.42 40.12 2rok n LEU 433 CO 0.21 1.84 1.04 1.67 -1.33 0.00 0.00 177.39 180.82 2rok n GLN 434 N 3.51 1.75 -1.50 3.23 7.27 -1.26 -4.98 117.38 125.40 2rok n GLN 434 Ca 0.70 0.63 -0.30 0.00 0.07 0.00 0.00 57.00 58.10 2rok n GLN 434 Cb 0.30 -2.32 0.10 0.00 2.41 0.00 0.00 30.24 30.73 2rok n GLN 434 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 2rok s PRO 435 N 0.50 1.94 0.16 3.69 0.04 -1.26 -5.11 135.00 134.96 2rok s PRO 435 Ca 0.79 0.67 -0.08 0.00 0.04 0.00 0.00 61.00 62.41 2rok s PRO 435 Cb -0.77 -1.90 -0.01 0.00 0.04 0.00 0.00 34.50 31.86 2rok s PRO 435 CO 0.43 -1.73 0.26 0.21 0.04 0.00 0.00 177.00 176.22 2rok s LYS 436 N -5.12 1.13 -0.09 4.56 2.20 -1.26 -5.11 119.74 116.06 2rok s LYS 436 Ca 0.61 -1.19 0.13 0.00 -0.36 0.00 0.00 55.97 55.16 2rok s LYS 436 Cb -0.15 0.37 0.26 0.00 -1.51 0.00 0.00 37.83 36.79 2rok s LYS 436 CO 0.55 -0.41 1.12 0.54 -0.36 0.00 0.00 175.35 176.79 2rok n ARG 437 N -0.20 0.77 0.29 4.03 1.74 -1.26 -4.81 116.66 117.21 2rok n ARG 437 Ca -0.07 -2.18 0.17 0.00 -0.77 0.00 0.00 57.85 55.00 2rok n ARG 437 Cb 0.63 -0.99 0.90 0.00 -1.02 0.00 0.00 32.46 31.98 2rok n ARG 437 CO 0.00 0.00 0.00 0.22 -1.52 0.00 0.00 177.63 176.33 2rok h ASP 438 N 0.36 0.00 -0.34 0.55 3.58 -2.01 -2.32 116.42 116.24 2rok h ASP 438 Ca -0.04 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.41 2rok h ASP 438 Cb 1.26 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.31 2rok h ASP 438 CO 0.02 0.05 0.00 0.00 -2.88 0.00 0.00 179.24 176.42 2rok n HIS 439 N -3.44 0.82 -4.99 0.28 1.44 -1.26 -4.65 115.22 103.42 2rok n HIS 439 Ca -0.02 -0.32 -0.31 0.00 -2.01 0.00 0.00 57.72 55.06 2rok n HIS 439 Cb 0.17 -0.17 -0.14 0.00 0.12 0.00 0.00 29.99 29.97 2rok n HIS 439 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 2rok s VAL 440 N -1.72 2.50 0.31 0.61 1.01 -0.87 -1.58 120.40 120.66 2rok s VAL 440 Ca 0.27 -1.07 0.08 0.00 0.00 0.00 0.00 61.98 61.26 2rok s VAL 440 Cb 0.18 -1.96 -0.03 0.00 0.00 0.00 0.00 36.38 34.57 2rok s VAL 440 CO 0.13 0.50 0.21 -0.76 0.00 0.00 0.00 175.10 175.17 2rok s LEU 441 N -0.92 3.52 -0.05 3.92 1.43 0.10 -1.26 118.68 125.42 2rok s LEU 441 Ca 0.12 -0.53 0.06 0.00 -1.03 0.00 0.00 54.13 52.74 2rok s LEU 441 Cb -0.10 -2.07 -0.01 0.00 0.03 0.00 0.00 46.19 44.04 2rok s LEU 441 CO 0.01 -0.24 -0.22 -2.28 0.23 0.00 0.00 176.35 173.85 2rok s HIS 442 N -2.30 2.11 -0.01 0.29 5.65 0.26 -1.17 115.29 120.12 2rok s HIS 442 Ca 0.38 -0.58 0.03 0.00 0.25 0.00 0.00 55.06 55.13 2rok s HIS 442 Cb -0.05 -1.39 -0.00 0.00 -1.18 0.00 0.00 32.58 29.95 2rok s HIS 442 CO 0.25 -0.17 -0.10 0.08 -0.65 0.00 0.00 174.74 174.15 2rok s VAL 443 N -0.16 0.79 -0.03 0.89 1.01 -0.01 -1.25 120.40 121.64 2rok s VAL 443 Ca -0.01 -0.40 0.03 0.00 0.00 0.00 0.00 61.98 61.60 2rok s VAL 443 Cb -0.12 -0.67 -0.00 0.00 0.00 0.00 0.00 36.38 35.59 2rok s VAL 443 CO 0.02 0.23 -0.13 -0.89 0.00 0.00 0.00 175.10 174.34 2rok s THR 444 N -0.09 1.06 0.07 3.92 2.01 -0.32 -1.74 115.64 120.55 2rok s THR 444 Ca 0.02 -0.52 -0.25 0.00 0.31 0.00 0.00 61.69 61.25 2rok s THR 444 Cb -0.05 -0.92 0.06 0.00 0.01 0.00 0.00 72.50 71.60 2rok s THR 444 CO -0.00 0.32 0.59 0.72 -0.69 0.00 0.00 174.62 175.56 2rok s PHE 445 N 0.07 -0.53 0.48 4.92 -0.12 -0.39 -1.04 117.98 121.37 2rok s PHE 445 Ca -0.02 0.57 -0.23 0.00 -0.05 0.00 0.00 56.93 57.19 2rok s PHE 445 Cb -0.09 0.45 -0.08 0.00 -0.63 0.00 0.00 43.02 42.67 2rok s PHE 445 CO 0.01 -0.73 1.17 -2.30 -0.05 0.00 0.00 175.22 173.32 2rok n PRO 446 N 0.17 1.56 0.31 1.99 -0.02 -1.26 -4.53 135.00 133.23 2rok n PRO 446 Ca -0.18 0.57 0.21 0.00 -2.02 0.00 0.00 63.50 62.07 2rok n PRO 446 Cb 0.62 -2.30 1.10 0.00 -0.02 0.00 0.00 33.50 32.89 2rok n PRO 446 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 2rok h LYS 447 N 1.54 0.00 0.00 -0.52 2.10 -1.92 -1.57 116.57 116.19 2rok h LYS 447 Ca -0.48 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.17 2rok h LYS 447 Cb 1.32 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.65 2rok h LYS 447 CO 0.57 0.00 -0.03 0.93 -2.00 0.00 0.00 179.45 178.92 2rok h GLU 448 N 0.00 0.00 -7.12 0.07 3.07 -1.90 -3.44 114.58 105.25 2rok h GLU 448 Ca 0.00 0.00 -0.54 0.00 -0.50 0.00 0.00 59.36 58.32 2rok h GLU 448 Cb 0.04 0.00 0.13 0.00 -0.84 0.00 0.00 28.75 28.08 2rok h GLU 448 CO 0.00 0.03 0.47 -1.58 -1.40 0.00 0.00 179.01 176.53 2rok s TRP 449 N -4.11 2.24 0.28 4.33 0.52 -0.59 -5.07 118.94 116.53 2rok s TRP 449 Ca -0.03 1.52 0.03 0.00 0.02 0.00 0.00 56.10 57.64 2rok s TRP 449 Cb 0.12 -3.54 -0.06 0.00 -1.15 0.00 0.00 33.47 28.85 2rok s TRP 449 CO 0.50 -2.49 0.06 0.15 0.02 0.00 0.00 176.95 175.18 2rok s LYS 450 N -3.48 1.51 0.43 4.98 1.02 -1.26 -5.03 119.74 117.92 2rok s LYS 450 Ca 0.78 -1.82 0.20 0.00 0.02 0.00 0.00 55.97 55.16 2rok s LYS 450 Cb -0.32 -0.62 1.16 0.00 -0.52 0.00 0.00 37.83 37.53 2rok s LYS 450 CO 0.38 -0.20 1.84 1.15 -0.92 0.00 0.00 175.35 177.59 2rok h THR 451 N 2.27 0.61 -0.61 2.17 2.02 -1.99 -1.45 112.91 115.94 2rok h THR 451 Ca -0.39 -0.11 -0.10 0.00 0.77 0.00 0.00 66.41 66.57 2rok h THR 451 Cb 1.24 0.25 -0.02 0.00 -1.74 0.00 0.00 68.15 67.88 2rok h THR 451 CO 0.66 0.06 0.00 0.28 0.37 0.00 0.00 175.52 176.89 2rok h SER 452 N 0.33 1.05 0.16 4.18 0.02 -1.99 0.46 113.55 117.77 2rok h SER 452 Ca 0.50 -0.31 -0.08 0.00 -0.84 0.00 0.00 61.79 61.07 2rok h SER 452 Cb 1.38 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 63.62 2rok h SER 452 CO -0.18 1.10 -0.29 0.44 -1.14 0.00 0.00 176.83 176.76 2rok h ASP 453 N 0.97 0.21 -0.29 3.07 3.32 -1.69 -0.90 116.42 121.10 2rok h ASP 453 Ca 0.17 -0.07 -0.15 0.00 0.02 0.00 0.00 57.03 57.01 2rok h ASP 453 Cb 0.56 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 40.05 2rok h ASP 453 CO 0.03 0.50 -0.41 -0.07 -1.72 0.00 0.00 179.24 177.57 2rok h LEU 454 N 0.19 0.86 -0.76 1.55 3.38 -1.05 -1.46 115.31 118.02 2rok h LEU 454 Ca 0.03 -0.50 0.00 0.00 0.09 0.00 0.00 57.88 57.49 2rok h LEU 454 Cb 0.61 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.08 2rok h LEU 454 CO 0.04 1.20 0.47 1.88 0.09 0.00 0.00 178.44 182.13 2rok h TYR 455 N 0.55 0.98 -0.38 1.13 0.05 -0.75 -1.49 116.97 117.07 2rok h TYR 455 Ca 0.03 0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.81 2rok h TYR 455 Cb 1.00 -0.33 -0.02 0.00 1.01 0.00 0.00 36.73 38.39 2rok h TYR 455 CO 0.07 0.64 0.20 0.37 -1.05 0.00 0.00 178.16 178.40 2rok h GLN 456 N 1.03 0.51 0.00 4.88 4.15 -1.02 0.63 115.11 125.29 2rok h GLN 456 Ca 0.27 -0.04 -0.15 0.00 0.77 0.00 0.00 58.65 59.50 2rok h GLN 456 Cb -0.07 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 27.49 2rok h GLN 456 CO -0.05 0.38 -0.70 1.25 -1.93 0.00 0.00 178.83 177.77 2rok h LEU 457 N 0.52 0.00 0.00 -2.39 5.85 -0.83 -3.42 115.31 115.03 2rok h LEU 457 Ca 0.13 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.85 2rok h LEU 457 Cb 0.02 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.05 2rok h LEU 457 CO -0.02 0.70 -0.42 0.49 -0.34 0.00 0.00 178.44 178.85 2rok n PHE 458 N -3.30 0.00 0.32 1.25 3.72 -0.60 -4.77 117.46 114.08 2rok n PHE 458 Ca 0.01 0.00 0.20 0.00 -0.05 0.00 0.00 57.45 57.61 2rok n PHE 458 Cb 0.81 0.00 1.08 0.00 -0.94 0.00 0.00 39.48 40.43 2rok n PHE 458 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 2rok h SER 459 N 0.00 0.00 -0.24 4.37 0.87 -1.08 -2.11 113.55 115.36 2rok h SER 459 Ca 0.00 0.00 0.07 0.00 -1.23 0.00 0.00 61.79 60.63 2rok h SER 459 Cb 0.00 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 2rok h SER 459 CO 0.00 0.01 0.34 0.00 -0.53 0.00 0.00 176.83 176.64 2rok h ALA 460 N 1.99 1.82 -0.00 6.23 0.00 -1.86 -1.35 119.26 126.09 2rok h ALA 460 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2rok h ALA 460 Cb 0.05 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2rok h ALA 460 CO 0.00 -0.46 -0.00 1.19 0.00 0.00 0.00 179.25 179.98 2rok n PHE 461 N -3.54 0.00 0.00 0.00 3.72 -0.79 -4.96 117.46 111.89 2rok n PHE 461 Ca 0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.43 2rok n PHE 461 Cb 0.47 -0.06 0.00 0.00 -0.94 0.00 0.00 39.48 38.94 2rok n PHE 461 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2rok n GLY 462 N 1.07 3.00 3.34 1.37 0.00 -0.51 -4.71 105.19 108.75 2rok n GLY 462 Ca 0.22 -0.81 -0.12 0.00 0.00 0.00 0.00 46.02 45.30 2rok n GLY 462 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2rok s ASN 463 N 0.00 -0.51 0.24 1.61 2.47 -1.26 -5.06 114.94 112.43 2rok s ASN 463 Ca 0.00 0.94 -0.04 0.00 0.42 0.00 0.00 52.86 54.18 2rok s ASN 463 Cb 0.00 0.91 -0.02 0.00 -1.45 0.00 0.00 41.25 40.69 2rok s ASN 463 CO 0.00 -0.17 0.29 0.27 -3.72 0.00 0.00 177.10 173.76 2rok s ILE 464 N 0.61 0.00 -0.02 -5.21 -4.36 -1.26 -3.38 121.20 107.57 2rok s ILE 464 Ca -0.03 -1.78 -0.06 0.00 -0.26 0.00 0.00 60.65 58.53 2rok s ILE 464 Cb -0.05 -2.43 0.00 0.00 1.25 0.00 0.00 42.46 41.24 2rok s ILE 464 CO -0.04 0.00 0.12 -1.58 0.24 0.00 0.00 174.94 173.68 2rok s GLN 465 N -3.93 0.33 -0.08 0.37 0.74 -1.01 -4.98 119.66 111.11 2rok s GLN 465 Ca 0.33 -0.18 0.02 0.00 0.05 0.00 0.00 55.36 55.59 2rok s GLN 465 Cb 0.03 0.14 0.01 0.00 1.10 0.00 0.00 33.01 34.30 2rok s GLN 465 CO 0.13 -0.07 -0.14 0.42 -0.55 0.00 0.00 175.29 175.09 2rok s ILE 466 N -0.79 1.30 -0.30 -2.34 1.01 -1.26 -0.98 121.20 117.84 2rok s ILE 466 Ca -0.09 -0.56 -0.02 0.00 0.00 0.00 0.00 60.65 59.98 2rok s ILE 466 Cb -0.05 -1.18 0.10 0.00 0.01 0.00 0.00 42.46 41.34 2rok s ILE 466 CO 0.01 0.39 0.12 -0.44 0.00 0.00 0.00 174.94 175.02 2rok s SER 467 N 0.73 3.74 0.67 3.58 0.01 -0.40 -5.02 113.70 117.02 2rok s SER 467 Ca -0.13 -1.51 -0.17 0.00 1.31 0.00 0.00 55.95 55.45 2rok s SER 467 Cb -0.16 -0.60 -0.00 0.00 0.21 0.00 0.00 66.02 65.47 2rok s SER 467 CO 0.03 -0.42 1.17 0.79 0.41 0.00 0.00 173.24 175.22 2rok n TRP 468 N 4.99 1.44 0.00 2.43 7.02 -1.26 -0.69 117.44 131.36 2rok n TRP 468 Ca -0.03 0.42 0.00 0.00 -1.02 0.00 0.00 57.50 56.87 2rok n TRP 468 Cb 0.42 -2.19 0.00 0.00 -2.42 0.00 0.00 31.31 27.11 2rok n TRP 468 CO 0.00 0.00 0.00 0.44 -2.02 0.00 0.00 177.69 176.11 2rok n ILE 469 N -2.13 0.00 -4.00 -0.99 -5.35 -0.94 -4.83 119.36 101.12 2rok n ILE 469 Ca 0.15 -0.00 -0.13 0.00 -0.27 0.00 0.00 62.75 62.50 2rok n ILE 469 Cb 0.48 0.17 -0.02 0.00 -1.74 0.00 0.00 39.64 38.54 2rok n ILE 469 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 2rok s ASP 470 N -0.64 0.59 0.28 7.28 -1.08 -0.66 -4.98 116.67 117.46 2rok s ASP 470 Ca 0.00 -1.35 0.23 0.00 -0.52 0.00 0.00 52.55 50.90 2rok s ASP 470 Cb 0.00 0.72 1.04 0.00 -1.46 0.00 0.00 42.92 43.22 2rok s ASP 470 CO 0.00 -1.42 1.69 -0.67 0.52 0.00 0.00 175.17 175.29 2rok n ASP 471 N -1.37 0.62 0.00 -0.34 2.03 -1.26 -3.48 116.55 112.76 2rok n ASP 471 Ca -0.02 0.70 0.00 0.00 0.52 0.00 0.00 54.79 55.99 2rok n ASP 471 Cb 0.61 -0.81 0.00 0.00 -0.72 0.00 0.00 41.12 40.20 2rok n ASP 471 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 2rok n THR 472 N -2.24 0.13 -3.61 5.18 -2.24 -1.26 -4.29 114.28 105.95 2rok n THR 472 Ca 0.01 -0.20 -0.13 0.00 -2.27 0.00 0.00 64.05 61.45 2rok n THR 472 Cb 0.15 1.30 -0.06 0.00 -2.10 0.00 0.00 70.33 69.62 2rok n THR 472 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2rok s SER 473 N -0.13 -0.37 0.14 3.42 1.04 -1.23 -1.26 113.70 115.30 2rok s SER 473 Ca 0.00 0.09 -0.16 0.00 0.48 0.00 0.00 55.95 56.37 2rok s SER 473 Cb 0.00 0.47 0.03 0.00 0.10 0.00 0.00 66.02 66.61 2rok s SER 473 CO 0.00 -0.70 0.41 0.00 0.98 0.00 0.00 173.24 173.93 2rok s ALA 474 N -2.50 -0.83 0.17 5.32 0.00 -0.71 -1.66 121.76 121.55 2rok s ALA 474 Ca -0.05 -0.18 -0.07 0.00 0.00 0.00 0.00 51.96 51.66 2rok s ALA 474 Cb -0.01 0.74 -0.06 0.00 0.00 0.00 0.00 23.12 23.79 2rok s ALA 474 CO -0.02 -0.68 0.45 -0.06 0.00 0.00 0.00 175.76 175.45 2rok s PHE 475 N -3.84 3.46 -0.12 0.00 0.08 0.13 -0.83 117.98 116.88 2rok s PHE 475 Ca 0.06 0.70 -0.03 0.00 0.12 0.00 0.00 56.93 57.78 2rok s PHE 475 Cb 0.01 -2.12 0.04 0.00 -0.57 0.00 0.00 43.02 40.39 2rok s PHE 475 CO -0.09 0.37 0.06 0.08 -0.10 0.00 0.00 175.22 175.54 2rok s VAL 476 N -1.71 0.09 0.28 -0.44 1.01 -0.31 -1.27 120.40 118.05 2rok s VAL 476 Ca 0.43 0.01 -0.29 0.00 0.00 0.00 0.00 61.98 62.13 2rok s VAL 476 Cb -0.12 -0.51 -0.09 0.00 0.00 0.00 0.00 36.38 35.66 2rok s VAL 476 CO 0.23 -0.03 1.00 -0.44 0.00 0.00 0.00 175.10 175.86 2rok s SER 477 N 2.07 7.39 0.34 3.32 0.01 -0.15 -0.72 113.70 125.97 2rok s SER 477 Ca 0.03 2.05 0.09 0.00 1.31 0.00 0.00 55.95 59.43 2rok s SER 477 Cb -0.14 -2.61 -0.07 0.00 0.21 0.00 0.00 66.02 63.41 2rok s SER 477 CO -0.06 -0.04 -0.07 -0.76 0.41 0.00 0.00 173.24 172.71 2rok s LEU 478 N -1.54 2.70 0.45 2.44 1.43 -0.61 -2.40 118.68 121.16 2rok s LEU 478 Ca 0.45 -1.22 0.15 0.00 -1.03 0.00 0.00 54.13 52.48 2rok s LEU 478 Cb -0.27 -0.92 1.03 0.00 0.03 0.00 0.00 46.19 46.07 2rok s LEU 478 CO 0.33 -0.26 2.00 0.28 0.23 0.00 0.00 176.35 178.93 2rok h SER 479 N 2.04 0.00 -5.03 2.29 0.02 -1.83 -3.46 113.55 107.58 2rok h SER 479 Ca -0.42 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.41 2rok h SER 479 Cb 1.25 0.00 -0.19 0.00 0.14 0.00 0.00 62.40 63.60 2rok h SER 479 CO 0.71 0.18 -0.41 -1.10 -1.14 0.00 0.00 176.83 175.07 2rok s GLN 480 N -4.61 0.62 0.41 3.45 -0.21 -1.26 -5.05 119.66 113.00 2rok s GLN 480 Ca -0.04 -0.48 0.29 0.00 0.02 0.00 0.00 55.36 55.15 2rok s GLN 480 Cb 0.16 0.26 1.22 0.00 1.00 0.00 0.00 33.01 35.64 2rok s GLN 480 CO 0.69 -0.17 1.86 -1.00 -2.12 0.00 0.00 175.29 174.55 2rok h PRO 481 N 3.80 0.00 -0.45 2.91 0.13 -1.87 -2.40 132.00 134.11 2rok h PRO 481 Ca -0.31 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.78 2rok h PRO 481 Cb 1.19 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 2rok h PRO 481 CO 0.44 0.00 0.11 0.93 -0.23 0.00 0.00 178.00 179.25 2rok h GLU 482 N 0.00 0.68 -0.00 0.86 3.07 -1.96 -2.94 114.58 114.28 2rok h GLU 482 Ca 0.00 -0.12 -0.16 0.00 -0.50 0.00 0.00 59.36 58.57 2rok h GLU 482 Cb 0.40 -0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 28.18 2rok h GLU 482 CO 0.00 0.62 -0.76 1.96 -1.40 0.00 0.00 179.01 179.43 2rok h GLN 483 N 0.66 0.04 -0.58 2.33 4.20 -1.86 -3.11 115.11 116.80 2rok h GLN 483 Ca 0.15 -0.04 0.05 0.00 0.06 0.00 0.00 58.65 58.87 2rok h GLN 483 Cb 0.25 0.01 -0.05 0.00 0.30 0.00 0.00 27.48 27.99 2rok h GLN 483 CO -0.00 0.78 0.31 0.28 -0.67 0.00 0.00 178.83 179.53 2rok h VAL 484 N 0.03 0.96 -0.84 -0.54 2.07 -1.46 -1.48 116.25 114.99 2rok h VAL 484 Ca -0.01 -0.20 -0.00 0.00 0.82 0.00 0.00 66.70 67.30 2rok h VAL 484 Cb 1.34 0.32 -0.04 0.00 -1.52 0.00 0.00 31.29 31.39 2rok h VAL 484 CO 0.10 0.11 0.51 -0.61 0.02 0.00 0.00 177.57 177.70 2rok h GLN 485 N 0.59 1.13 0.06 1.57 4.15 -1.46 -1.69 115.11 119.46 2rok h GLN 485 Ca 0.26 -0.10 -0.00 0.00 0.77 0.00 0.00 58.65 59.58 2rok h GLN 485 Cb 0.15 -0.24 0.00 0.00 0.21 0.00 0.00 27.48 27.61 2rok h GLN 485 CO -0.17 0.79 -0.03 0.82 -1.93 0.00 0.00 178.83 178.32 2rok h ILE 486 N 1.15 0.99 -0.54 2.39 2.04 -1.40 -1.66 117.51 120.48 2rok h ILE 486 Ca 0.30 -0.16 -0.04 0.00 1.00 0.00 0.00 64.86 65.96 2rok h ILE 486 Cb -0.05 1.10 -0.03 0.00 -0.74 0.00 0.00 36.82 37.10 2rok h ILE 486 CO -0.06 0.04 0.19 0.00 0.00 0.00 0.00 178.15 178.32 2rok h ALA 487 N 0.78 1.31 -0.57 1.87 0.00 -1.08 -0.87 119.26 120.70 2rok h ALA 487 Ca -0.01 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.66 2rok h ALA 487 Cb 0.13 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 2rok h ALA 487 CO 0.01 0.50 0.04 0.28 0.00 0.00 0.00 179.25 180.09 2rok h VAL 488 N 0.78 1.26 -0.50 0.00 2.07 -1.26 -2.75 116.25 115.85 2rok h VAL 488 Ca 0.18 -1.06 -0.03 0.00 0.82 0.00 0.00 66.70 66.61 2rok h VAL 488 Cb 0.20 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 30.78 2rok h VAL 488 CO -0.01 0.38 0.20 -1.13 0.02 0.00 0.00 177.57 177.03 2rok h ASN 489 N 0.87 0.69 0.54 0.57 -1.24 -0.63 -3.11 115.58 113.26 2rok h ASN 489 Ca 0.17 -0.17 -0.07 0.00 0.71 0.00 0.00 56.30 56.94 2rok h ASN 489 Cb 0.49 -0.18 -0.01 0.00 0.73 0.00 0.00 38.32 39.35 2rok h ASN 489 CO 0.02 0.67 -0.35 0.71 -1.29 0.00 0.00 177.43 177.19 2rok h THR 490 N 0.66 1.03 0.00 -3.57 1.35 -1.18 -2.79 112.91 108.42 2rok h THR 490 Ca 0.17 -1.28 0.00 0.00 -0.55 0.00 0.00 66.41 64.74 2rok h THR 490 Cb 0.19 1.74 0.00 0.00 -1.73 0.00 0.00 68.15 68.35 2rok h THR 490 CO -0.01 0.34 0.00 -1.28 -0.25 0.00 0.00 175.52 174.32 2rok h SER 491 N 0.00 0.00 0.02 5.36 0.87 -1.41 -3.04 113.55 115.34 2rok h SER 491 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2rok h SER 491 Cb 0.71 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.67 2rok h SER 491 CO 0.05 0.00 0.00 0.29 -0.53 0.00 0.00 176.83 176.64 2rok n LYS 492 N -2.81 0.13 -0.09 2.24 5.02 -1.05 -2.45 118.16 119.15 2rok n LYS 492 Ca -0.01 0.62 0.02 0.00 -2.02 0.00 0.00 58.31 56.92 2rok n LYS 492 Cb 0.18 -1.91 0.03 0.00 -0.02 0.00 0.00 35.03 33.30 2rok n LYS 492 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 2rok n TYR 493 N -2.18 0.00 -1.05 2.13 4.01 -1.15 -5.09 117.16 113.82 2rok n TYR 493 Ca -0.01 -0.37 -0.31 0.00 -0.16 0.00 0.00 57.90 57.05 2rok n TYR 493 Cb 0.04 -0.05 0.12 0.00 -0.31 0.00 0.00 39.34 39.13 2rok n TYR 493 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2rok s ALA 494 N -0.89 1.91 0.00 -0.72 0.00 -1.02 -5.01 121.76 116.02 2rok s ALA 494 Ca 0.06 0.48 0.00 0.00 0.00 0.00 0.00 51.96 52.50 2rok s ALA 494 Cb 0.05 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.80 2rok s ALA 494 CO 0.01 -2.19 0.04 -0.85 0.00 0.00 0.00 175.76 172.77 2rok n GLU 495 N -3.71 -0.02 0.00 0.00 0.28 -1.26 -4.88 120.64 111.05 2rok n GLU 495 Ca 0.11 -0.04 0.00 0.00 -0.16 0.00 0.00 57.16 57.06 2rok n GLU 495 Cb 0.52 -0.50 0.00 0.00 1.43 0.00 0.00 31.44 32.89 2rok n GLU 495 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 2rok n SER 496 N -0.01 0.00 -3.36 -1.84 2.88 -1.26 -5.14 113.62 104.89 2rok n SER 496 Ca 0.00 -1.00 -0.08 0.00 -1.33 0.00 0.00 58.87 56.46 2rok n SER 496 Cb 0.20 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.66 2rok n SER 496 CO 0.00 0.00 0.00 -0.72 -1.23 0.00 0.00 175.04 173.09 2rok s TYR 497 N 0.00 0.03 -0.01 0.66 1.13 -1.26 -4.25 117.35 113.65 2rok s TYR 497 Ca 0.00 -0.60 -0.07 0.00 -1.41 0.00 0.00 57.07 54.99 2rok s TYR 497 Cb 0.00 0.73 0.01 0.00 -1.10 0.00 0.00 41.96 41.60 2rok s TYR 497 CO 0.00 -1.40 0.15 0.50 -2.51 0.00 0.00 175.55 172.29 2rok s ARG 498 N -3.06 0.43 0.00 -3.49 3.52 -0.20 -4.79 118.95 111.36 2rok s ARG 498 Ca 0.14 -0.25 0.05 0.00 -0.13 0.00 0.00 55.73 55.54 2rok s ARG 498 Cb -0.05 0.18 -0.01 0.00 -1.56 0.00 0.00 34.95 33.51 2rok s ARG 498 CO 0.10 -0.10 -0.14 0.42 -0.81 0.00 0.00 175.30 174.76 2rok s ILE 499 N -1.07 1.14 0.16 4.11 1.01 -1.26 -1.17 121.20 124.12 2rok s ILE 499 Ca -0.12 -0.72 -0.06 0.00 0.00 0.00 0.00 60.65 59.76 2rok s ILE 499 Cb -0.06 -0.97 -0.02 0.00 0.01 0.00 0.00 42.46 41.42 2rok s ILE 499 CO 0.01 0.24 0.20 0.00 0.00 0.00 0.00 174.94 175.40 2rok s GLN 500 N -0.54 1.11 0.80 2.79 -2.07 -0.38 -4.83 119.66 116.53 2rok s GLN 500 Ca 0.05 -1.31 -0.11 0.00 -1.82 0.00 0.00 55.36 52.16 2rok s GLN 500 Cb -0.06 0.33 0.07 0.00 -1.09 0.00 0.00 33.01 32.25 2rok s GLN 500 CO -0.00 -0.38 1.09 0.95 -1.32 0.00 0.00 175.29 175.63 2rok s THR 501 N -4.02 3.23 0.29 3.63 -4.23 -1.26 -0.57 115.64 112.71 2rok s THR 501 Ca 0.22 0.40 -0.00 0.00 -1.18 0.00 0.00 61.69 61.13 2rok s THR 501 Cb 0.05 -2.99 0.28 0.00 1.34 0.00 0.00 72.50 71.18 2rok s THR 501 CO 0.02 -0.52 1.89 0.22 -0.54 0.00 0.00 174.62 175.70 2rok h TYR 502 N -1.16 1.11 -0.49 3.99 3.20 -1.44 -2.10 116.97 120.08 2rok h TYR 502 Ca -0.46 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.37 2rok h TYR 502 Cb 1.25 -0.36 -0.02 0.00 1.54 0.00 0.00 36.73 39.13 2rok h TYR 502 CO 0.52 0.56 0.04 0.00 -1.64 0.00 0.00 178.16 177.64 2rok h ALA 503 N 1.49 1.14 -0.49 1.82 0.00 -1.87 -0.97 119.26 120.39 2rok h ALA 503 Ca 0.42 -0.25 -0.11 0.00 0.00 0.00 0.00 54.91 54.97 2rok h ALA 503 Cb 0.22 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2rok h ALA 503 CO -0.17 0.56 -0.11 0.93 0.00 0.00 0.00 179.25 180.46 2rok h GLU 504 N 0.75 0.94 -0.11 0.00 4.39 -1.85 -0.11 114.58 118.60 2rok h GLU 504 Ca 0.15 -0.36 0.01 0.00 0.34 0.00 0.00 59.36 59.50 2rok h GLU 504 Cb 0.40 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.99 2rok h GLU 504 CO 0.01 1.02 0.05 -0.92 -1.16 0.00 0.00 179.01 178.02 2rok h TYR 505 N 0.80 0.10 -0.57 4.33 3.20 -1.17 -1.88 116.97 121.78 2rok h TYR 505 Ca 0.13 0.00 0.05 0.00 3.14 0.00 0.00 58.73 62.05 2rok h TYR 505 Cb 0.67 -0.03 -0.05 0.00 1.54 0.00 0.00 36.73 38.86 2rok h TYR 505 CO 0.05 0.06 0.29 0.28 -1.64 0.00 0.00 178.16 177.20 2rok h VAL 506 N 0.12 0.94 -0.76 1.81 2.07 -1.12 -1.96 116.25 117.34 2rok h VAL 506 Ca 0.04 -0.19 -0.05 0.00 0.82 0.00 0.00 66.70 67.33 2rok h VAL 506 Cb 0.01 0.35 -0.03 0.00 -1.52 0.00 0.00 31.29 30.09 2rok h VAL 506 CO -0.03 0.10 0.30 1.23 0.02 0.00 0.00 177.57 179.19 2rok h GLY 507 N 0.55 1.22 2.00 2.17 0.00 -0.78 -2.15 103.07 106.07 2rok h GLY 507 Ca 0.26 -0.67 -0.07 0.00 0.00 0.00 0.00 47.33 46.84 2rok h GLY 507 CO -0.18 0.63 -0.35 0.50 0.00 0.00 0.00 176.54 177.13 2rok h LYS 508 N 1.09 0.00 0.00 4.80 1.57 -1.20 -3.16 116.57 119.67 2rok h LYS 508 Ca 0.25 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 2rok h LYS 508 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.53 2rok h LYS 508 CO -0.02 0.35 0.00 -0.22 -0.57 0.00 0.00 179.45 179.00 2rok h LYS 509 N 0.00 0.00 -7.12 3.15 3.64 -0.69 -3.46 116.57 112.08 2rok h LYS 509 Ca -0.00 0.00 -0.55 0.00 -1.27 0.00 0.00 60.65 58.82 2rok h LYS 509 Cb 0.71 0.00 0.17 0.00 -0.41 0.00 0.00 32.23 32.70 2rok h LYS 509 CO 0.05 0.00 0.44 1.04 -2.27 0.00 0.00 179.45 178.71 2rok n GLN 510 N -2.65 0.83 -0.55 1.90 6.02 -1.07 -5.00 117.38 116.87 2rok n GLN 510 Ca 0.03 0.34 0.00 0.00 -0.01 0.00 0.00 57.00 57.37 2rok n GLN 510 Cb 0.36 -2.49 -0.00 0.00 1.02 0.00 0.00 30.24 29.13 2rok n GLN 510 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 177.06 176.41 2rok n LYS 511 N -2.28 0.00 -3.14 -1.09 2.85 -1.26 -5.09 118.16 108.15 2rok n LYS 511 Ca 0.15 -0.78 -0.31 0.00 -1.05 0.00 0.00 58.31 56.32 2rok n LYS 511 Cb 0.49 -0.33 -0.05 0.00 -0.65 0.00 0.00 35.03 34.49 2rok n LYS 511 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 2rok s GLY 512 N -0.78 2.13 -0.03 2.58 0.00 -1.26 -5.03 107.32 104.93 2rok s GLY 512 Ca 0.01 -0.20 -0.28 0.00 0.00 0.00 0.00 44.72 44.25 2rok s GLY 512 CO -0.01 -0.03 0.62 1.25 0.00 0.00 0.00 173.10 174.94 2rok s LYS 513 N -3.31 1.03 0.36 2.90 2.20 -1.26 -5.08 119.74 116.58 2rok s LYS 513 Ca 0.50 0.14 0.07 0.00 -0.36 0.00 0.00 55.97 56.32 2rok s LYS 513 Cb -0.11 0.48 0.76 0.00 -1.51 0.00 0.00 37.83 37.45 2rok s LYS 513 CO 0.25 -0.33 1.92 0.37 -0.36 0.00 0.00 175.35 177.20 2rok h GLN 514 N 3.03 0.72 0.00 4.03 4.15 -1.99 -1.55 115.11 123.50 2rok h GLN 514 Ca -0.28 -0.04 -0.00 0.00 0.77 0.00 0.00 58.65 59.09 2rok h GLN 514 Cb 1.16 -0.16 -0.00 0.00 0.21 0.00 0.00 27.48 28.68 2rok h GLN 514 CO 0.39 0.48 -0.01 -0.24 -1.93 0.00 0.00 178.83 177.52 2rok h VAL 515 N 0.75 0.08 -0.01 2.39 3.04 -2.04 -2.37 116.25 118.08 2rok h VAL 515 Ca 0.36 -0.23 0.00 0.00 -1.01 0.00 0.00 66.70 65.82 2rok h VAL 515 Cb 0.42 1.21 0.00 0.00 -2.01 0.00 0.00 31.29 30.91 2rok h VAL 515 CO -0.14 0.01 -0.02 0.29 -1.01 0.00 0.00 177.57 176.70 2rok n LYS 516 N -3.17 1.57 0.00 4.17 5.02 -0.58 -4.98 118.16 120.19 2rok n LYS 516 Ca -0.02 -0.90 0.00 0.00 -2.02 0.00 0.00 58.31 55.37 2rok n LYS 516 Cb 0.17 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.70 2rok n LYS 516 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 2rok n SER 517 N 0.07 0.00 0.00 4.39 7.64 -0.89 -3.95 113.62 120.88 2rok n SER 517 Ca 0.18 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.06 2rok n SER 517 Cb 0.35 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.55 2rok n SER 517 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2rok n GLY 518 N 0.00 -0.54 0.19 0.23 0.00 -1.26 -5.05 105.19 98.76 2rok n GLY 518 Ca 0.00 0.22 0.04 0.00 0.00 0.00 0.00 46.02 46.28 2rok n GLY 518 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2rok h PRO 519 N 0.00 0.00 0.00 1.61 0.13 -1.90 -3.02 132.00 128.82 2rok h PRO 519 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2rok h PRO 519 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2rok h PRO 519 CO 0.00 0.35 0.00 0.43 -0.23 0.00 0.00 178.00 178.55 2rok n SER 520 N -3.98 0.51 0.03 1.44 7.64 -1.26 -3.77 113.62 114.23 2rok n SER 520 Ca -0.02 0.60 0.09 0.00 1.01 0.00 0.00 58.87 60.56 2rok n SER 520 Cb 0.40 -0.72 0.40 0.00 -1.01 0.00 0.00 64.21 63.28 2rok n SER 520 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2rok n SER 521 N -2.04 0.18 0.00 6.43 7.64 -1.14 -5.20 113.62 119.48 2rok n SER 521 Ca 0.03 0.54 0.00 0.00 1.01 0.00 0.00 58.87 60.45 2rok n SER 521 Cb 0.26 -0.58 0.00 0.00 -1.01 0.00 0.00 64.21 62.89 2rok n SER 521 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64