#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rok s SER 424 N 0.00 -0.12 0.00 1.61 0.15 -1.26 -5.09 113.70 108.99 2rok s SER 424 Ca 0.00 -0.64 0.00 0.00 0.70 0.00 0.00 55.95 56.01 2rok s SER 424 Cb 0.00 0.51 0.00 0.00 -1.71 0.00 0.00 66.02 64.82 2rok s SER 424 CO 0.00 -0.97 0.05 -1.20 1.20 0.00 0.00 173.24 172.32 2rok n SER 425 N -0.27 0.11 0.00 5.45 7.64 -1.26 -5.15 113.62 120.14 2rok n SER 425 Ca -0.09 -0.83 0.00 0.00 1.01 0.00 0.00 58.87 58.96 2rok n SER 425 Cb 0.63 0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.85 2rok n SER 425 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2rok n GLY 426 N 0.02 -0.21 0.00 0.23 0.00 -1.26 -5.06 105.19 98.92 2rok n GLY 426 Ca 0.00 -1.20 0.00 0.00 0.00 0.00 0.00 46.02 44.82 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 0.00 0.00 -4.73 1.61 3.41 -1.26 -5.12 113.62 107.53 2rok n SER 427 Ca 0.00 -0.98 -0.30 0.00 -0.26 0.00 0.00 58.87 57.33 2rok n SER 427 Cb 0.00 0.00 0.13 0.00 -0.26 0.00 0.00 64.21 64.08 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 0.00 3.56 0.00 4.04 1.04 -1.26 -4.91 113.70 116.18 2rok s SER 428 Ca 0.00 1.44 0.00 0.00 0.48 0.00 0.00 55.95 57.87 2rok s SER 428 Cb 0.00 -2.13 0.00 0.00 0.10 0.00 0.00 66.02 63.99 2rok s SER 428 CO 0.00 -2.58 0.00 0.61 0.98 0.00 0.00 173.24 172.25 2rok n GLY 429 N -1.26 0.32 0.00 7.32 0.00 -1.26 -5.16 105.19 105.14 2rok n GLY 429 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 0.00 -0.42 0.23 -0.02 0.00 -1.26 -5.03 105.19 98.69 2rok n GLY 430 Ca 0.00 -0.95 0.15 0.00 0.00 0.00 0.00 46.02 45.22 2rok n GLY 430 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2rok h PRO 431 N 0.00 0.00 -2.85 1.61 0.13 -2.02 -3.43 132.00 125.44 2rok h PRO 431 Ca 0.00 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.98 2rok h PRO 431 Cb 0.00 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 30.86 2rok h PRO 431 CO 0.00 0.00 -0.36 0.34 -0.23 0.00 0.00 178.00 177.75 2rok s ASP 432 N -5.45 -0.39 0.25 1.44 2.15 -1.26 -5.18 116.67 108.24 2rok s ASP 432 Ca 0.03 0.71 -0.05 0.00 0.43 0.00 0.00 52.55 53.68 2rok s ASP 432 Cb 0.09 0.64 -0.02 0.00 -0.30 0.00 0.00 42.92 43.33 2rok s ASP 432 CO 0.54 -0.16 0.32 -0.76 -0.17 0.00 0.00 175.17 174.94 2rok s LEU 433 N 0.92 0.89 0.02 -1.34 1.43 -1.26 -5.12 118.68 114.22 2rok s LEU 433 Ca -0.06 -1.28 -0.04 0.00 -1.03 0.00 0.00 54.13 51.72 2rok s LEU 433 Cb -0.07 1.05 -0.01 0.00 0.03 0.00 0.00 46.19 47.19 2rok s LEU 433 CO -0.07 -1.04 0.06 0.00 0.23 0.00 0.00 176.35 175.54 2rok s GLN 434 N -3.87 0.45 1.03 1.70 -2.07 -1.26 -5.17 119.66 110.46 2rok s GLN 434 Ca 0.32 -0.59 -0.12 0.00 -1.82 0.00 0.00 55.36 53.16 2rok s GLN 434 Cb 0.03 0.17 0.19 0.00 -1.09 0.00 0.00 33.01 32.32 2rok s GLN 434 CO 0.14 -0.10 1.00 -2.30 -1.32 0.00 0.00 175.29 172.71 2rok n PRO 435 N 1.30 -1.27 -0.80 9.60 -0.02 -1.26 -5.01 135.00 137.54 2rok n PRO 435 Ca -0.22 -0.32 0.03 0.00 -2.02 0.00 0.00 63.50 60.97 2rok n PRO 435 Cb 0.56 -2.24 0.05 0.00 -0.02 0.00 0.00 33.50 31.85 2rok n PRO 435 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2rok n LYS 436 N -4.28 0.32 -1.14 -0.52 5.02 -1.26 -4.89 118.16 111.41 2rok n LYS 436 Ca 0.08 -1.78 0.05 0.00 -2.02 0.00 0.00 58.31 54.63 2rok n LYS 436 Cb 0.53 -0.57 0.08 0.00 -0.02 0.00 0.00 35.03 35.06 2rok n LYS 436 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2rok n ARG 437 N -0.12 0.52 0.32 1.97 1.74 -1.26 -4.86 116.66 114.97 2rok n ARG 437 Ca 0.06 -2.38 0.20 0.00 -0.77 0.00 0.00 57.85 54.96 2rok n ARG 437 Cb 0.85 -0.56 1.09 0.00 -1.02 0.00 0.00 32.46 32.82 2rok n ARG 437 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 2rok h ASP 438 N 0.93 0.00 -0.07 0.55 3.32 -2.02 -1.56 116.42 117.56 2rok h ASP 438 Ca -0.14 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.91 2rok h ASP 438 Cb 1.58 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.13 2rok h ASP 438 CO 0.06 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.58 2rok n HIS 439 N -3.40 0.10 -5.01 4.55 1.44 -1.26 -4.85 115.22 106.79 2rok n HIS 439 Ca -0.03 -0.05 -0.28 0.00 -2.01 0.00 0.00 57.72 55.36 2rok n HIS 439 Cb 0.09 0.00 -0.15 0.00 0.12 0.00 0.00 29.99 30.05 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 -1.90 1.72 0.34 0.61 1.01 -0.59 -1.77 120.40 119.81 2rok s VAL 440 Ca 0.16 -0.98 0.09 0.00 0.00 0.00 0.00 61.98 61.25 2rok s VAL 440 Cb 0.08 -1.44 -0.05 0.00 0.00 0.00 0.00 36.38 34.97 2rok s VAL 440 CO 0.12 0.44 0.03 -0.76 0.00 0.00 0.00 175.10 174.93 2rok s LEU 441 N -0.62 3.02 -0.01 3.92 1.43 0.17 -1.93 118.68 124.65 2rok s LEU 441 Ca 0.08 -0.95 0.07 0.00 -1.03 0.00 0.00 54.13 52.30 2rok s LEU 441 Cb -0.08 -1.41 -0.02 0.00 0.03 0.00 0.00 46.19 44.71 2rok s LEU 441 CO -0.00 -0.24 -0.22 -2.28 0.23 0.00 0.00 176.35 173.84 2rok s HIS 442 N -2.50 2.00 -0.01 0.29 5.65 0.30 -1.02 115.29 119.99 2rok s HIS 442 Ca 0.35 -0.38 0.02 0.00 0.25 0.00 0.00 55.06 55.30 2rok s HIS 442 Cb -0.01 -1.27 -0.00 0.00 -1.18 0.00 0.00 32.58 30.12 2rok s HIS 442 CO 0.20 -0.01 -0.08 0.08 -0.65 0.00 0.00 174.74 174.28 2rok s VAL 443 N -0.57 0.66 -0.02 0.89 1.01 -0.13 -1.24 120.40 121.00 2rok s VAL 443 Ca 0.09 -0.33 0.04 0.00 0.00 0.00 0.00 61.98 61.78 2rok s VAL 443 Cb -0.09 -0.58 -0.01 0.00 0.00 0.00 0.00 36.38 35.71 2rok s VAL 443 CO -0.00 0.20 -0.15 -0.89 0.00 0.00 0.00 175.10 174.26 2rok s THR 444 N -0.01 1.21 0.13 3.92 2.01 -0.30 -1.85 115.64 120.75 2rok s THR 444 Ca 0.00 -0.63 -0.23 0.00 0.31 0.00 0.00 61.69 61.15 2rok s THR 444 Cb -0.05 -1.02 0.06 0.00 0.01 0.00 0.00 72.50 71.50 2rok s THR 444 CO -0.00 0.35 0.57 0.72 -0.69 0.00 0.00 174.62 175.57 2rok s PHE 445 N -0.15 -0.49 0.40 4.92 -0.12 -0.45 -0.79 117.98 121.30 2rok s PHE 445 Ca 0.02 0.35 -0.25 0.00 -0.05 0.00 0.00 56.93 56.99 2rok s PHE 445 Cb -0.08 0.49 -0.11 0.00 -0.63 0.00 0.00 43.02 42.69 2rok s PHE 445 CO 0.00 -0.79 1.18 -2.30 -0.05 0.00 0.00 175.22 173.26 2rok n PRO 446 N -0.18 1.73 0.31 1.99 -0.02 -1.26 -4.59 135.00 132.98 2rok n PRO 446 Ca -0.17 0.62 0.19 0.00 -2.02 0.00 0.00 63.50 62.11 2rok n PRO 446 Cb 0.64 -2.24 1.00 0.00 -0.02 0.00 0.00 33.50 32.88 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 1.95 0.00 0.00 -0.52 2.10 -1.92 -1.49 116.57 116.69 2rok h LYS 447 Ca -0.46 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.19 2rok h LYS 447 Cb 1.31 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.64 2rok h LYS 447 CO 0.59 0.00 -0.02 0.93 -2.00 0.00 0.00 179.45 178.95 2rok h GLU 448 N 0.00 0.00 -7.13 0.07 5.08 -1.90 -3.45 114.58 107.25 2rok h GLU 448 Ca 0.02 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.85 2rok h GLU 448 Cb 0.33 0.00 0.13 0.00 0.50 0.00 0.00 28.75 29.71 2rok h GLU 448 CO -0.00 0.02 0.44 -1.58 -1.00 0.00 0.00 179.01 176.89 2rok s TRP 449 N -3.92 2.31 0.30 4.33 0.52 -0.56 -5.08 118.94 116.83 2rok s TRP 449 Ca -0.02 1.54 0.02 0.00 0.02 0.00 0.00 56.10 57.67 2rok s TRP 449 Cb 0.11 -3.45 -0.05 0.00 -1.15 0.00 0.00 33.47 28.93 2rok s TRP 449 CO 0.50 -2.29 0.11 0.15 0.02 0.00 0.00 176.95 175.43 2rok s LYS 450 N -3.59 1.55 0.42 4.98 1.02 -1.26 -5.03 119.74 117.83 2rok s LYS 450 Ca 0.75 -1.87 0.19 0.00 0.02 0.00 0.00 55.97 55.07 2rok s LYS 450 Cb -0.29 -0.36 1.13 0.00 -0.52 0.00 0.00 37.83 37.79 2rok s LYS 450 CO 0.38 -0.33 1.82 1.15 -0.92 0.00 0.00 175.35 177.45 2rok h THR 451 N 2.24 0.60 -0.40 2.17 2.02 -1.99 -1.29 112.91 116.27 2rok h THR 451 Ca -0.37 -0.13 -0.03 0.00 0.77 0.00 0.00 66.41 66.65 2rok h THR 451 Cb 1.25 0.20 -0.02 0.00 -1.74 0.00 0.00 68.15 67.85 2rok h THR 451 CO 0.60 0.07 0.13 0.28 0.37 0.00 0.00 175.52 176.96 2rok h SER 452 N 0.37 0.58 0.17 4.18 0.02 -1.99 -0.18 113.55 116.70 2rok h SER 452 Ca 0.52 -0.20 -0.06 0.00 -0.84 0.00 0.00 61.79 61.21 2rok h SER 452 Cb 1.37 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 63.74 2rok h SER 452 CO -0.20 0.62 -0.23 0.44 -1.14 0.00 0.00 176.83 176.32 2rok h ASP 453 N 0.50 0.12 -0.10 3.07 3.32 -1.66 -1.10 116.42 120.58 2rok h ASP 453 Ca 0.13 -0.03 -0.08 0.00 0.02 0.00 0.00 57.03 57.06 2rok h ASP 453 Cb 0.25 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.77 2rok h ASP 453 CO -0.01 0.37 -0.27 -0.07 -1.72 0.00 0.00 179.24 177.54 2rok h LEU 454 N 0.12 0.40 -1.39 1.55 3.38 -1.14 -0.78 115.31 117.45 2rok h LEU 454 Ca 0.02 -0.59 0.03 0.00 0.09 0.00 0.00 57.88 57.42 2rok h LEU 454 Cb 0.48 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.08 2rok h LEU 454 CO 0.03 0.93 0.43 1.88 0.09 0.00 0.00 178.44 181.81 2rok h TYR 455 N -0.10 0.77 -0.45 1.13 -1.99 -0.90 -2.06 116.97 113.37 2rok h TYR 455 Ca -0.01 0.02 -0.13 0.00 2.00 0.00 0.00 58.73 60.61 2rok h TYR 455 Cb 0.88 -0.26 -0.01 0.00 2.00 0.00 0.00 36.73 39.34 2rok h TYR 455 CO 0.11 0.46 -0.24 0.37 -0.00 0.00 0.00 178.16 178.87 2rok h GLN 456 N 0.81 0.94 -0.58 4.88 5.75 -1.12 -1.80 115.11 123.99 2rok h GLN 456 Ca 0.26 -0.41 -0.09 0.00 -0.15 0.00 0.00 58.65 58.26 2rok h GLN 456 Cb 0.03 -0.03 -0.02 0.00 1.07 0.00 0.00 27.48 28.53 2rok h GLN 456 CO -0.07 1.07 0.02 1.25 -2.65 0.00 0.00 178.83 178.45 2rok h LEU 457 N 0.81 0.98 -2.67 -2.39 5.85 -0.70 -3.15 115.31 114.04 2rok h LEU 457 Ca 0.10 -0.30 0.00 0.00 0.84 0.00 0.00 57.88 58.53 2rok h LEU 457 Cb 0.80 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.57 2rok h LEU 457 CO 0.07 1.04 0.00 0.49 -0.34 0.00 0.00 178.44 179.70 2rok n PHE 458 N -4.24 0.95 -0.05 1.25 3.72 -0.81 -4.52 117.46 113.75 2rok n PHE 458 Ca 0.02 -0.48 0.18 0.00 -0.05 0.00 0.00 57.45 57.13 2rok n PHE 458 Cb 0.33 0.00 0.62 0.00 -0.94 0.00 0.00 39.48 39.49 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 4.30 0.14 0.00 4.37 0.87 -1.28 -2.10 113.55 119.84 2rok h SER 459 Ca 0.00 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 2rok h SER 459 Cb 0.98 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.92 2rok h SER 459 CO 0.00 0.08 0.05 0.00 -0.53 0.00 0.00 176.83 176.43 2rok n ALA 460 N -2.60 0.96 0.61 6.23 0.00 -1.26 -2.13 120.51 122.32 2rok n ALA 460 Ca 0.11 0.16 0.08 0.00 0.00 0.00 0.00 53.44 53.78 2rok n ALA 460 Cb 0.56 -1.17 0.08 0.00 0.00 0.00 0.00 19.45 18.92 2rok n ALA 460 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2rok n PHE 461 N -2.09 0.05 0.00 0.00 3.72 -0.79 -5.03 117.46 113.32 2rok n PHE 461 Ca -0.01 -0.04 0.00 0.00 -0.05 0.00 0.00 57.45 57.35 2rok n PHE 461 Cb 0.08 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.62 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 0.92 1.35 3.01 1.37 0.00 -0.90 -4.83 105.19 106.11 2rok n GLY 462 Ca 0.10 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.99 2rok n GLY 462 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2rok s ASN 463 N 0.00 -0.15 0.29 1.61 0.01 -1.26 -5.04 114.94 110.40 2rok s ASN 463 Ca 0.00 0.31 -0.04 0.00 -0.71 0.00 0.00 52.86 52.42 2rok s ASN 463 Cb 0.00 0.28 -0.01 0.00 0.41 0.00 0.00 41.25 41.93 2rok s ASN 463 CO 0.00 -0.07 0.39 0.27 -1.51 0.00 0.00 177.10 176.17 2rok s ILE 464 N 0.34 0.00 -0.00 0.60 -4.36 -1.26 -4.11 121.20 112.40 2rok s ILE 464 Ca -0.02 -1.67 -0.06 0.00 -0.26 0.00 0.00 60.65 58.64 2rok s ILE 464 Cb -0.03 -2.50 0.00 0.00 1.25 0.00 0.00 42.46 41.18 2rok s ILE 464 CO -0.01 0.00 0.11 -1.58 0.24 0.00 0.00 174.94 173.70 2rok s GLN 465 N -3.53 0.40 -0.03 0.37 2.00 -0.99 -4.99 119.66 112.88 2rok s GLN 465 Ca 0.31 -0.32 0.03 0.00 -2.00 0.00 0.00 55.36 53.38 2rok s GLN 465 Cb 0.01 0.16 0.00 0.00 0.80 0.00 0.00 33.01 33.99 2rok s GLN 465 CO 0.17 -0.09 -0.11 0.42 -0.50 0.00 0.00 175.29 175.18 2rok s ILE 466 N -1.12 0.92 -0.27 -2.34 1.01 -1.26 -0.85 121.20 117.29 2rok s ILE 466 Ca -0.12 -0.45 -0.02 0.00 0.00 0.00 0.00 60.65 60.06 2rok s ILE 466 Cb -0.07 -0.81 0.09 0.00 0.01 0.00 0.00 42.46 41.69 2rok s ILE 466 CO 0.01 0.28 0.09 -0.44 0.00 0.00 0.00 174.94 174.88 2rok s SER 467 N 0.10 3.57 0.66 3.58 0.01 -0.52 -5.02 113.70 116.08 2rok s SER 467 Ca -0.02 -1.31 -0.18 0.00 1.31 0.00 0.00 55.95 55.75 2rok s SER 467 Cb -0.09 -0.63 -0.01 0.00 0.21 0.00 0.00 66.02 65.50 2rok s SER 467 CO 0.01 -0.39 1.24 0.79 0.41 0.00 0.00 173.24 175.30 2rok n TRP 468 N 5.02 1.73 0.00 2.43 7.02 -1.26 -0.78 117.44 131.60 2rok n TRP 468 Ca -0.05 0.42 0.00 0.00 -1.02 0.00 0.00 57.50 56.85 2rok n TRP 468 Cb 0.43 -2.24 0.00 0.00 -2.42 0.00 0.00 31.31 27.09 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 -2.01 0.00 -3.99 -0.99 -5.35 -1.08 -4.85 119.36 101.09 2rok n ILE 469 Ca 0.16 0.00 -0.13 0.00 -0.27 0.00 0.00 62.75 62.51 2rok n ILE 469 Cb 0.48 0.08 -0.02 0.00 -1.74 0.00 0.00 39.64 38.45 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 -0.58 0.64 0.23 7.28 -1.08 -0.83 -4.99 116.67 117.33 2rok s ASP 470 Ca 0.00 -1.39 0.22 0.00 -0.52 0.00 0.00 52.55 50.86 2rok s ASP 470 Cb 0.00 0.74 0.95 0.00 -1.46 0.00 0.00 42.92 43.15 2rok s ASP 470 CO 0.00 -1.45 1.66 0.47 0.52 0.00 0.00 175.17 176.37 2rok n ASP 471 N -1.46 0.57 0.00 -0.34 8.00 -1.26 -3.70 116.55 118.36 2rok n ASP 471 Ca -0.02 0.66 0.00 0.00 0.71 0.00 0.00 54.79 56.14 2rok n ASP 471 Cb 0.61 -0.77 0.00 0.00 -0.02 0.00 0.00 41.12 40.94 2rok n ASP 471 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 2rok n THR 472 N -2.15 0.12 -3.63 -3.53 -2.24 -1.26 -4.36 114.28 97.24 2rok n THR 472 Ca 0.02 -0.24 -0.13 0.00 -2.27 0.00 0.00 64.05 61.43 2rok n THR 472 Cb 0.19 1.36 -0.06 0.00 -2.10 0.00 0.00 70.33 69.72 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 -0.12 -0.32 0.12 3.42 1.04 -1.24 -1.33 113.70 115.25 2rok s SER 473 Ca 0.00 -0.02 -0.16 0.00 0.48 0.00 0.00 55.95 56.25 2rok s SER 473 Cb 0.00 0.46 0.03 0.00 0.10 0.00 0.00 66.02 66.61 2rok s SER 473 CO 0.00 -0.72 0.40 0.00 0.98 0.00 0.00 173.24 173.89 2rok s ALA 474 N -2.76 -0.92 0.25 5.32 0.00 -0.77 -1.97 121.76 120.90 2rok s ALA 474 Ca -0.03 -0.03 -0.11 0.00 0.00 0.00 0.00 51.96 51.79 2rok s ALA 474 Cb -0.00 0.66 -0.08 0.00 0.00 0.00 0.00 23.12 23.70 2rok s ALA 474 CO -0.04 -0.62 0.59 -0.06 0.00 0.00 0.00 175.76 175.62 2rok s PHE 475 N -3.68 3.42 -0.05 0.00 0.08 0.04 -0.96 117.98 116.82 2rok s PHE 475 Ca 0.02 0.94 -0.01 0.00 0.12 0.00 0.00 56.93 58.00 2rok s PHE 475 Cb 0.02 -2.31 0.03 0.00 -0.57 0.00 0.00 43.02 40.18 2rok s PHE 475 CO -0.11 0.23 0.03 0.08 -0.10 0.00 0.00 175.22 175.34 2rok s VAL 476 N -1.86 0.13 0.12 -0.44 1.01 -0.19 -1.44 120.40 117.73 2rok s VAL 476 Ca 0.49 0.25 -0.18 0.00 0.00 0.00 0.00 61.98 62.55 2rok s VAL 476 Cb -0.11 -0.33 -0.07 0.00 0.00 0.00 0.00 36.38 35.87 2rok s VAL 476 CO 0.21 0.21 0.58 -0.44 0.00 0.00 0.00 175.10 175.66 2rok s SER 477 N 1.93 6.98 0.17 3.32 0.01 -0.03 -0.66 113.70 125.41 2rok s SER 477 Ca 0.03 1.22 0.08 0.00 1.31 0.00 0.00 55.95 58.59 2rok s SER 477 Cb -0.12 -2.34 -0.04 0.00 0.21 0.00 0.00 66.02 63.72 2rok s SER 477 CO -0.04 0.18 -0.17 -0.76 0.41 0.00 0.00 173.24 172.86 2rok s LEU 478 N -1.53 2.45 0.47 2.44 1.43 -0.73 -2.36 118.68 120.86 2rok s LEU 478 Ca 0.34 -0.87 0.25 0.00 -1.03 0.00 0.00 54.13 52.82 2rok s LEU 478 Cb -0.18 -0.79 1.13 0.00 0.03 0.00 0.00 46.19 46.39 2rok s LEU 478 CO 0.19 -0.06 1.92 0.28 0.23 0.00 0.00 176.35 178.92 2rok h SER 479 N 3.19 0.00 -5.08 2.29 0.02 -1.87 -3.46 113.55 108.65 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 1.21 0.00 -0.18 0.00 0.14 0.00 0.00 62.40 63.57 2rok h SER 479 CO 0.52 0.19 -0.47 -1.10 -1.14 0.00 0.00 176.83 174.83 2rok s GLN 480 N -3.86 0.62 0.51 3.45 -1.52 -1.26 -5.06 119.66 112.54 2rok s GLN 480 Ca -0.01 -0.70 0.30 0.00 -1.95 0.00 0.00 55.36 53.00 2rok s GLN 480 Cb 0.11 0.25 1.16 0.00 -0.22 0.00 0.00 33.01 34.31 2rok s GLN 480 CO 0.62 -0.17 1.91 -1.00 -0.25 0.00 0.00 175.29 176.40 2rok h PRO 481 N 3.60 0.00 -0.81 2.91 0.13 -1.88 -2.46 132.00 133.49 2rok h PRO 481 Ca -0.32 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.78 2rok h PRO 481 Cb 1.19 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.28 2rok h PRO 481 CO 0.49 0.08 0.39 1.49 -0.23 0.00 0.00 178.00 180.23 2rok h GLU 482 N 0.00 1.16 -0.60 0.86 4.57 -1.97 -0.95 114.58 117.65 2rok h GLU 482 Ca -0.00 -0.17 -0.10 0.00 -1.18 0.00 0.00 59.36 57.91 2rok h GLU 482 Cb 0.62 -0.21 -0.02 0.00 -0.16 0.00 0.00 28.75 28.98 2rok h GLU 482 CO 0.01 0.89 -0.03 1.96 -1.18 0.00 0.00 179.01 180.67 2rok h GLN 483 N 1.14 1.07 -0.26 1.92 4.20 -1.87 -0.62 115.11 120.69 2rok h GLN 483 Ca 0.28 -0.35 0.01 0.00 0.06 0.00 0.00 58.65 58.65 2rok h GLN 483 Cb 0.11 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.78 2rok h GLN 483 CO -0.04 1.06 0.14 0.28 -0.67 0.00 0.00 178.83 179.60 2rok h VAL 484 N 0.97 1.01 -0.82 -0.54 2.07 -1.38 -1.53 116.25 116.02 2rok h VAL 484 Ca 0.17 -0.10 -0.03 0.00 0.82 0.00 0.00 66.70 67.56 2rok h VAL 484 Cb 0.59 0.69 -0.04 0.00 -1.52 0.00 0.00 31.29 31.01 2rok h VAL 484 CO 0.04 0.05 0.39 -0.61 0.02 0.00 0.00 177.57 177.46 2rok h GLN 485 N 0.29 1.18 -0.32 1.57 5.75 -0.90 -1.44 115.11 121.24 2rok h GLN 485 Ca 0.11 -0.17 -0.02 0.00 -0.15 0.00 0.00 58.65 58.42 2rok h GLN 485 Cb 0.02 -0.21 -0.01 0.00 1.07 0.00 0.00 27.48 28.34 2rok h GLN 485 CO -0.06 0.90 0.14 0.82 -2.65 0.00 0.00 178.83 177.98 2rok h ILE 486 N 1.17 1.17 -0.74 2.39 2.04 -0.94 -0.58 117.51 122.03 2rok h ILE 486 Ca 0.28 -0.51 -0.03 0.00 1.00 0.00 0.00 64.86 65.61 2rok h ILE 486 Cb 0.11 0.92 -0.03 0.00 -0.74 0.00 0.00 36.82 37.08 2rok h ILE 486 CO -0.04 0.18 0.35 0.00 0.00 0.00 0.00 178.15 178.64 2rok h ALA 487 N 0.99 1.21 -0.43 1.87 0.00 -1.02 -0.72 119.26 121.16 2rok h ALA 487 Ca 0.11 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 2rok h ALA 487 Cb 0.15 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 2rok h ALA 487 CO -0.01 0.60 -0.12 0.28 0.00 0.00 0.00 179.25 180.00 2rok h VAL 488 N 1.05 1.26 -0.03 0.00 2.07 -1.15 -2.26 116.25 117.19 2rok h VAL 488 Ca 0.26 -1.18 -0.12 0.00 0.82 0.00 0.00 66.70 66.47 2rok h VAL 488 Cb 0.12 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 2rok h VAL 488 CO -0.03 0.40 -0.56 -1.13 0.02 0.00 0.00 177.57 176.27 2rok h ASN 489 N 0.70 0.10 0.79 0.57 -1.24 -0.60 -3.32 115.58 112.58 2rok h ASN 489 Ca 0.12 -0.05 0.00 0.00 0.71 0.00 0.00 56.30 57.07 2rok h ASN 489 Cb 0.60 -0.03 0.00 0.00 0.73 0.00 0.00 38.32 39.62 2rok h ASN 489 CO 0.04 0.64 -1.09 0.35 -1.29 0.00 0.00 177.43 176.08 2rok n THR 490 N -3.89 0.46 0.28 -3.57 -2.24 -0.32 -4.20 114.28 100.80 2rok n THR 490 Ca -0.02 -0.48 0.16 0.00 -2.27 0.00 0.00 64.05 61.45 2rok n THR 490 Cb 0.57 -0.21 0.76 0.00 -2.10 0.00 0.00 70.33 69.36 2rok n THR 490 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 2rok h SER 491 N 0.00 0.00 0.12 3.42 4.64 -1.50 -3.13 113.55 117.09 2rok h SER 491 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2rok h SER 491 Cb 0.94 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.03 2rok h SER 491 CO 0.00 0.06 0.00 2.29 -0.87 0.00 0.00 176.83 178.31 2rok n LYS 492 N -3.25 0.10 -1.07 4.77 2.85 -1.26 -2.10 118.16 118.19 2rok n LYS 492 Ca -0.01 0.55 0.04 0.00 -1.05 0.00 0.00 58.31 57.84 2rok n LYS 492 Cb 0.27 -1.78 0.06 0.00 -0.65 0.00 0.00 35.03 32.93 2rok n LYS 492 CO 0.00 0.00 0.00 2.48 -0.05 0.00 0.00 177.40 179.83 2rok n TYR 493 N -1.98 0.00 -1.59 5.58 0.18 -1.18 -5.12 117.16 113.04 2rok n TYR 493 Ca -0.00 -0.67 -0.37 0.00 1.88 0.00 0.00 57.90 58.73 2rok n TYR 493 Cb 0.05 -0.16 0.06 0.00 -0.38 0.00 0.00 39.34 38.92 2rok n TYR 493 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2rok n ALA 494 N -0.04 0.05 -0.01 -3.48 0.00 -0.89 -4.97 120.51 111.18 2rok n ALA 494 Ca 0.08 -0.02 -0.12 0.00 0.00 0.00 0.00 53.44 53.38 2rok n ALA 494 Cb 0.95 -2.09 0.00 0.00 0.00 0.00 0.00 19.45 18.31 2rok n ALA 494 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2rok h GLU 495 N 0.35 0.65 0.00 0.00 4.57 -1.94 -3.45 114.58 114.75 2rok h GLU 495 Ca -0.48 -0.46 0.00 0.00 -1.18 0.00 0.00 59.36 57.24 2rok h GLU 495 Cb 1.37 0.07 0.00 0.00 -0.16 0.00 0.00 28.75 30.03 2rok h GLU 495 CO 0.50 1.08 0.00 0.45 -1.18 0.00 0.00 179.01 179.86 2rok n SER 496 N -3.94 0.00 -4.18 1.04 2.88 -1.26 -5.14 113.62 103.02 2rok n SER 496 Ca -0.05 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.21 2rok n SER 496 Cb 0.66 0.00 0.26 0.00 -0.75 0.00 0.00 64.21 64.38 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 -1.00 0.83 0.01 0.66 1.13 -1.26 -4.82 117.35 112.89 2rok s TYR 497 Ca 0.00 0.93 -0.04 0.00 -1.41 0.00 0.00 57.07 56.54 2rok s TYR 497 Cb 0.00 -3.08 -0.01 0.00 -1.10 0.00 0.00 41.96 37.78 2rok s TYR 497 CO 0.00 -4.13 0.08 0.50 -2.51 0.00 0.00 175.55 169.48 2rok s ARG 498 N -4.73 0.40 -0.00 -3.49 3.52 0.03 -4.77 118.95 109.90 2rok s ARG 498 Ca 0.68 -0.44 0.03 0.00 -0.13 0.00 0.00 55.73 55.87 2rok s ARG 498 Cb -0.20 0.16 -0.01 0.00 -1.56 0.00 0.00 34.95 33.34 2rok s ARG 498 CO 0.62 -0.08 -0.09 0.42 -0.81 0.00 0.00 175.30 175.36 2rok s ILE 499 N -1.31 0.68 0.17 4.11 1.01 -1.26 -1.15 121.20 123.44 2rok s ILE 499 Ca -0.14 -0.43 -0.07 0.00 0.00 0.00 0.00 60.65 60.02 2rok s ILE 499 Cb -0.08 -0.58 -0.02 0.00 0.01 0.00 0.00 42.46 41.79 2rok s ILE 499 CO 0.01 0.15 0.23 0.00 0.00 0.00 0.00 174.94 175.32 2rok s GLN 500 N -0.31 1.14 0.84 2.79 -2.07 -0.37 -4.90 119.66 116.77 2rok s GLN 500 Ca 0.02 -1.29 -0.11 0.00 -1.82 0.00 0.00 55.36 52.16 2rok s GLN 500 Cb -0.04 0.34 0.09 0.00 -1.09 0.00 0.00 33.01 32.32 2rok s GLN 500 CO -0.00 -0.40 1.09 0.95 -1.32 0.00 0.00 175.29 175.61 2rok s THR 501 N -4.01 2.98 0.27 3.63 -4.23 -1.26 -0.54 115.64 112.48 2rok s THR 501 Ca 0.22 0.32 -0.01 0.00 -1.18 0.00 0.00 61.69 61.04 2rok s THR 501 Cb 0.04 -2.87 0.25 0.00 1.34 0.00 0.00 72.50 71.27 2rok s THR 501 CO 0.02 -0.42 1.82 0.22 -0.54 0.00 0.00 174.62 175.72 2rok h TYR 502 N -1.31 1.00 -0.56 3.99 3.20 -1.65 -2.21 116.97 119.42 2rok h TYR 502 Ca -0.47 0.03 -0.10 0.00 3.14 0.00 0.00 58.73 61.33 2rok h TYR 502 Cb 1.26 -0.31 -0.02 0.00 1.54 0.00 0.00 36.73 39.20 2rok h TYR 502 CO 0.48 0.38 -0.03 0.00 -1.64 0.00 0.00 178.16 177.35 2rok h ALA 503 N 1.51 0.88 -0.28 1.82 0.00 -1.89 -1.24 119.26 120.07 2rok h ALA 503 Ca 0.46 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 2rok h ALA 503 Cb 0.48 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 2rok h ALA 503 CO -0.27 0.65 -0.10 0.93 0.00 0.00 0.00 179.25 180.45 2rok h GLU 504 N 0.91 0.46 -0.10 0.00 5.08 -1.84 -0.91 114.58 118.18 2rok h GLU 504 Ca 0.16 -0.12 -0.04 0.00 -1.00 0.00 0.00 59.36 58.36 2rok h GLU 504 Cb 0.57 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.76 2rok h GLU 504 CO 0.03 0.57 -0.10 -0.92 -1.00 0.00 0.00 179.01 177.60 2rok h TYR 505 N 0.43 0.29 -0.99 4.33 3.20 -1.24 -3.25 116.97 119.74 2rok h TYR 505 Ca 0.08 -0.09 0.13 0.00 3.14 0.00 0.00 58.73 62.00 2rok h TYR 505 Cb 0.45 -0.06 -0.09 0.00 1.54 0.00 0.00 36.73 38.57 2rok h TYR 505 CO 0.01 0.66 0.62 0.28 -1.64 0.00 0.00 178.16 178.09 2rok h VAL 506 N -0.17 0.87 0.00 1.81 2.07 -1.07 -1.47 116.25 118.29 2rok h VAL 506 Ca 0.02 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.22 2rok h VAL 506 Cb 0.61 -0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.24 2rok h VAL 506 CO 0.02 0.17 0.00 1.23 0.02 0.00 0.00 177.57 179.01 2rok h GLY 507 N 0.93 0.00 1.01 2.17 0.00 -1.20 -2.20 103.07 103.79 2rok h GLY 507 Ca 0.51 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.84 2rok h GLY 507 CO -0.29 0.00 -0.97 0.50 0.00 0.00 0.00 176.54 175.78 2rok h LYS 508 N 0.00 0.00 0.00 4.80 1.57 -1.31 -3.32 116.57 118.31 2rok h LYS 508 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2rok h LYS 508 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.55 2rok h LYS 508 CO 0.00 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.51 2rok n LYS 509 N -2.63 0.63 0.29 3.15 5.02 -0.83 -4.34 118.16 119.45 2rok n LYS 509 Ca 0.00 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.42 2rok n LYS 509 Cb 0.54 -1.39 0.66 0.00 -0.02 0.00 0.00 35.03 34.82 2rok n LYS 509 CO 0.00 0.00 0.00 -0.56 -0.52 0.00 0.00 177.40 176.32 2rok h GLN 510 N 0.00 0.00 -0.23 1.97 3.07 -1.67 -1.75 115.11 116.50 2rok h GLN 510 Ca 0.00 0.00 0.07 0.00 0.09 0.00 0.00 58.65 58.81 2rok h GLN 510 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.55 2rok h GLN 510 CO 0.00 0.00 0.26 0.87 0.09 0.00 0.00 178.83 180.05 2rok h LYS 511 N 0.00 0.00 0.00 0.06 1.79 -1.92 -1.94 116.57 114.56 2rok h LYS 511 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2rok h LYS 511 Cb 0.73 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.38 2rok h LYS 511 CO 0.00 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 178.78 2rok n GLY 512 N -1.42 -1.31 0.28 3.86 0.00 -0.66 -4.08 105.19 101.86 2rok n GLY 512 Ca 0.03 -0.10 0.19 0.00 0.00 0.00 0.00 46.02 46.13 2rok n GLY 512 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2rok h LYS 513 N 0.00 0.00 -1.81 1.61 3.64 -1.57 -3.32 116.57 115.12 2rok h LYS 513 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2rok h LYS 513 Cb 0.37 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.19 2rok h LYS 513 CO 0.00 0.00 0.00 0.94 -2.27 0.00 0.00 179.45 178.12 2rok n GLN 514 N -2.87 0.63 0.20 1.90 7.27 -1.26 -4.52 117.38 118.73 2rok n GLN 514 Ca -0.01 0.00 0.18 0.00 0.07 0.00 0.00 57.00 57.24 2rok n GLN 514 Cb 0.14 -1.18 0.83 0.00 2.41 0.00 0.00 30.24 32.43 2rok n GLN 514 CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 2rok h VAL 515 N 1.07 0.35 0.00 1.69 2.07 -1.94 -2.19 116.25 117.30 2rok h VAL 515 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2rok h VAL 515 Cb 0.63 0.78 0.00 0.00 -1.52 0.00 0.00 31.29 31.18 2rok h VAL 515 CO 0.00 0.00 0.07 2.29 0.02 0.00 0.00 177.57 179.95 2rok n LYS 516 N -3.61 0.04 -3.98 1.57 2.85 -1.26 -4.76 118.16 109.02 2rok n LYS 516 Ca 0.02 0.50 -0.09 0.00 -1.05 0.00 0.00 58.31 57.70 2rok n LYS 516 Cb 0.39 -1.71 -0.10 0.00 -0.65 0.00 0.00 35.03 32.97 2rok n LYS 516 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 2rok s SER 517 N -3.21 0.27 0.00 -5.58 0.15 -0.83 -4.77 113.70 99.73 2rok s SER 517 Ca -0.01 -0.68 0.00 0.00 0.70 0.00 0.00 55.95 55.97 2rok s SER 517 Cb 0.02 0.21 0.00 0.00 -1.71 0.00 0.00 66.02 64.54 2rok s SER 517 CO 0.06 -0.53 0.00 0.61 1.20 0.00 0.00 173.24 174.58 2rok n GLY 518 N 0.60 -2.34 0.24 9.45 0.00 -1.26 -4.87 105.19 107.01 2rok n GLY 518 Ca -0.18 -1.24 0.11 0.00 0.00 0.00 0.00 46.02 44.71 2rok n GLY 518 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2rok h PRO 519 N 0.00 0.00 0.00 1.61 0.11 -2.02 -0.65 132.00 131.05 2rok h PRO 519 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2rok h PRO 519 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 2rok h PRO 519 CO 0.00 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 176.66 2rok n SER 520 N -2.44 1.18 0.00 -2.05 3.41 -1.26 -4.82 113.62 107.64 2rok n SER 520 Ca -0.01 -1.49 0.00 0.00 -0.26 0.00 0.00 58.87 57.10 2rok n SER 520 Cb 0.35 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.30 2rok n SER 520 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2rok n SER 521 N -0.25 0.00 0.00 4.04 3.41 -0.77 -5.16 113.62 114.89 2rok n SER 521 Ca 0.00 -0.92 0.00 0.00 -0.26 0.00 0.00 58.87 57.69 2rok n SER 521 Cb 0.26 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.21 2rok n SER 521 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49