#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 -3.99 0.32 1.61 7.64 -1.26 -4.88 113.62 113.06 2rok n SER 424 Ca 0.00 0.19 0.20 0.00 1.01 0.00 0.00 58.87 60.28 2rok n SER 424 Cb 0.00 -3.41 1.04 0.00 -1.01 0.00 0.00 64.21 60.82 2rok n SER 424 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2rok h SER 425 N 0.00 0.00 0.57 6.43 0.02 -2.09 -2.65 113.55 115.83 2rok h SER 425 Ca -0.30 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.58 2rok h SER 425 Cb 1.19 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.72 2rok h SER 425 CO 0.36 0.01 -0.32 1.23 -1.14 0.00 0.00 176.83 176.97 2rok h GLY 426 N 0.55 0.00 2.00 -3.77 0.00 -2.04 -3.19 103.07 96.62 2rok h GLY 426 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 2rok h GLY 426 CO 0.00 0.00 -0.05 1.76 0.00 0.00 0.00 176.54 178.25 2rok h SER 427 N 0.00 0.00 0.29 0.19 0.02 -1.87 -3.27 113.55 108.91 2rok h SER 427 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2rok h SER 427 Cb 0.70 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.24 2rok h SER 427 CO 0.04 0.05 0.00 -1.20 -1.14 0.00 0.00 176.83 174.58 2rok n SER 428 N -3.25 0.36 0.00 3.07 7.64 -1.21 -3.02 113.62 117.22 2rok n SER 428 Ca -0.01 0.63 0.00 0.00 1.01 0.00 0.00 58.87 60.50 2rok n SER 428 Cb 0.24 -0.69 0.00 0.00 -1.01 0.00 0.00 64.21 62.75 2rok n SER 428 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2rok n GLY 429 N -0.75 -0.40 4.17 0.23 0.00 -1.23 -4.70 105.19 102.51 2rok n GLY 429 Ca 0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.19 -0.42 3.65 -0.02 0.00 -1.17 -4.64 105.19 102.41 2rok n GLY 430 Ca 0.00 0.24 -0.29 0.00 0.00 0.00 0.00 46.02 45.97 2rok n GLY 430 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2rok s PRO 431 N -7.31 0.51 0.27 1.61 0.04 -1.26 -5.00 135.00 123.86 2rok s PRO 431 Ca 0.22 0.84 0.02 0.00 0.04 0.00 0.00 61.00 62.12 2rok s PRO 431 Cb -0.12 -1.72 -0.03 0.00 0.04 0.00 0.00 34.50 32.66 2rok s PRO 431 CO 0.95 -2.76 0.22 0.16 0.04 0.00 0.00 177.00 175.62 2rok s ASP 432 N -3.13 0.89 0.00 6.66 1.47 -1.26 -5.08 116.67 116.22 2rok s ASP 432 Ca 0.65 -1.55 0.19 0.00 1.18 0.00 0.00 52.55 53.02 2rok s ASP 432 Cb -0.20 0.48 0.87 0.00 -0.34 0.00 0.00 42.92 43.73 2rok s ASP 432 CO 0.59 -0.97 1.59 0.00 0.68 0.00 0.00 175.17 177.06 2rok n LEU 433 N -0.45 0.88 -4.71 2.11 -0.00 -1.26 -4.97 117.00 108.60 2rok n LEU 433 Ca 0.04 -0.37 -0.43 0.00 -0.00 0.00 0.00 56.01 55.25 2rok n LEU 433 Cb 0.64 -0.06 -0.03 0.00 -0.00 0.00 0.00 43.42 43.97 2rok n LEU 433 CO 0.32 0.19 1.28 0.00 -0.00 0.00 0.00 177.39 179.18 2rok n GLN 434 N -0.19 2.57 0.00 1.47 6.02 -1.26 -4.91 117.38 121.09 2rok n GLN 434 Ca 0.14 0.92 0.13 0.00 -0.01 0.00 0.00 57.00 58.19 2rok n GLN 434 Cb 0.20 -2.73 0.66 0.00 1.02 0.00 0.00 30.24 29.39 2rok n GLN 434 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 2rok n PRO 435 N 3.32 0.27 -4.09 -1.09 -0.04 -1.26 -4.86 135.00 127.25 2rok n PRO 435 Ca 0.14 0.03 -0.09 0.00 -0.04 0.00 0.00 63.50 63.54 2rok n PRO 435 Cb 0.34 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.19 2rok n PRO 435 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2rok s LYS 436 N -2.71 0.60 0.00 0.54 1.02 -1.26 -5.07 119.74 112.86 2rok s LYS 436 Ca 0.22 -1.07 0.00 0.00 0.02 0.00 0.00 55.97 55.14 2rok s LYS 436 Cb 0.18 0.01 0.00 0.00 -0.52 0.00 0.00 37.83 37.51 2rok s LYS 436 CO 0.45 -0.05 0.54 0.54 -0.92 0.00 0.00 175.35 175.91 2rok n ARG 437 N 0.55 0.51 0.28 1.68 5.12 -1.26 -4.87 116.66 118.66 2rok n ARG 437 Ca -0.17 -0.63 0.15 0.00 -1.93 0.00 0.00 57.85 55.27 2rok n ARG 437 Cb 0.59 -0.60 0.84 0.00 -1.16 0.00 0.00 32.46 32.13 2rok n ARG 437 CO 0.00 0.00 0.00 0.22 -1.93 0.00 0.00 177.63 175.92 2rok h ASP 438 N 0.00 0.00 -0.43 0.55 3.58 -2.01 -2.30 116.42 115.82 2rok h ASP 438 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2rok h ASP 438 Cb 0.84 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.89 2rok h ASP 438 CO 0.00 0.07 0.00 0.00 -2.88 0.00 0.00 179.24 176.43 2rok n HIS 439 N -3.56 1.26 -4.80 0.28 1.44 -1.26 -4.86 115.22 103.72 2rok n HIS 439 Ca -0.02 -0.46 -0.25 0.00 -2.01 0.00 0.00 57.72 54.97 2rok n HIS 439 Cb 0.19 -0.29 -0.16 0.00 0.12 0.00 0.00 29.99 29.84 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 -2.00 1.38 0.37 0.61 1.01 -0.87 -1.41 120.40 119.48 2rok s VAL 440 Ca 0.37 -0.69 0.07 0.00 0.00 0.00 0.00 61.98 61.73 2rok s VAL 440 Cb 0.26 -1.18 -0.01 0.00 0.00 0.00 0.00 36.38 35.45 2rok s VAL 440 CO 0.14 0.40 0.42 -0.76 0.00 0.00 0.00 175.10 175.30 2rok s LEU 441 N -0.00 3.69 -0.05 3.92 1.43 0.10 -1.97 118.68 125.80 2rok s LEU 441 Ca -0.03 -0.43 0.05 0.00 -1.03 0.00 0.00 54.13 52.70 2rok s LEU 441 Cb -0.11 -2.45 -0.01 0.00 0.03 0.00 0.00 46.19 43.66 2rok s LEU 441 CO 0.02 -0.51 -0.21 -2.28 0.23 0.00 0.00 176.35 173.59 2rok s HIS 442 N -2.30 2.07 -0.01 0.29 5.65 0.36 -1.03 115.29 120.32 2rok s HIS 442 Ca 0.46 -0.59 0.03 0.00 0.25 0.00 0.00 55.06 55.22 2rok s HIS 442 Cb -0.07 -1.37 -0.01 0.00 -1.18 0.00 0.00 32.58 29.95 2rok s HIS 442 CO 0.30 -0.18 -0.11 0.08 -0.65 0.00 0.00 174.74 174.17 2rok s VAL 443 N -0.10 0.89 -0.02 0.89 1.01 -0.08 -1.09 120.40 121.89 2rok s VAL 443 Ca -0.03 -0.49 0.03 0.00 0.00 0.00 0.00 61.98 61.49 2rok s VAL 443 Cb -0.12 -0.75 -0.00 0.00 0.00 0.00 0.00 36.38 35.51 2rok s VAL 443 CO 0.03 0.24 -0.11 -0.89 0.00 0.00 0.00 175.10 174.37 2rok s THR 444 N -0.28 0.89 0.13 3.92 2.01 -0.32 -1.77 115.64 120.22 2rok s THR 444 Ca 0.04 -0.43 -0.23 0.00 0.31 0.00 0.00 61.69 61.38 2rok s THR 444 Cb -0.04 -0.78 0.06 0.00 0.01 0.00 0.00 72.50 71.75 2rok s THR 444 CO -0.00 0.27 0.58 0.72 -0.69 0.00 0.00 174.62 175.49 2rok s PHE 445 N 0.08 -0.50 0.57 4.92 -0.12 -0.44 -1.05 117.98 121.43 2rok s PHE 445 Ca -0.02 0.35 -0.19 0.00 -0.05 0.00 0.00 56.93 57.02 2rok s PHE 445 Cb -0.08 0.49 -0.06 0.00 -0.63 0.00 0.00 43.02 42.74 2rok s PHE 445 CO 0.00 -0.79 0.90 -2.30 -0.05 0.00 0.00 175.22 172.98 2rok n PRO 446 N -0.19 0.91 0.00 1.99 -0.02 -1.26 -4.51 135.00 131.92 2rok n PRO 446 Ca -0.17 0.35 0.01 0.00 -2.02 0.00 0.00 63.50 61.66 2rok n PRO 446 Cb 0.64 -2.08 0.04 0.00 -0.02 0.00 0.00 33.50 32.08 2rok n PRO 446 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 2rok n LYS 447 N -0.67 0.00 0.04 -0.52 2.85 -1.26 -1.97 118.16 116.63 2rok n LYS 447 Ca 0.13 0.44 0.13 0.00 -1.05 0.00 0.00 58.31 57.95 2rok n LYS 447 Cb 0.46 -1.50 0.36 0.00 -0.65 0.00 0.00 35.03 33.70 2rok n LYS 447 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 2rok n GLU 448 N -1.47 0.13 -1.13 -1.58 1.02 -1.26 -4.94 120.64 111.41 2rok n GLU 448 Ca 0.00 0.06 -0.32 0.00 -0.02 0.00 0.00 57.16 56.89 2rok n GLU 448 Cb 0.02 -1.61 0.12 0.00 -0.02 0.00 0.00 31.44 29.95 2rok n GLU 448 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2rok s TRP 449 N -3.06 2.02 0.19 -0.32 0.52 -0.83 -5.08 118.94 112.37 2rok s TRP 449 Ca 0.10 1.67 0.04 0.00 0.02 0.00 0.00 56.10 57.93 2rok s TRP 449 Cb 0.16 -3.32 -0.05 0.00 -1.15 0.00 0.00 33.47 29.11 2rok s TRP 449 CO 0.64 -2.47 -0.05 0.15 0.02 0.00 0.00 176.95 175.25 2rok s LYS 450 N -4.42 1.20 0.39 4.98 -0.14 -1.26 -5.04 119.74 115.45 2rok s LYS 450 Ca 0.68 -1.56 0.14 0.00 -1.36 0.00 0.00 55.97 53.87 2rok s LYS 450 Cb -0.24 -0.60 0.97 0.00 -1.68 0.00 0.00 37.83 36.29 2rok s LYS 450 CO 0.52 -0.02 1.86 1.15 -0.76 0.00 0.00 175.35 178.10 2rok h THR 451 N 2.62 0.74 -0.51 2.17 2.02 -1.99 -1.86 112.91 116.10 2rok h THR 451 Ca -0.37 -0.18 -0.09 0.00 0.77 0.00 0.00 66.41 66.54 2rok h THR 451 Cb 1.21 0.17 -0.02 0.00 -1.74 0.00 0.00 68.15 67.77 2rok h THR 451 CO 0.64 0.09 -0.02 0.28 0.37 0.00 0.00 175.52 176.89 2rok h SER 452 N 0.52 0.90 0.20 4.18 0.02 -1.99 -0.47 113.55 116.91 2rok h SER 452 Ca 0.46 -0.31 -0.06 0.00 -0.84 0.00 0.00 61.79 61.04 2rok h SER 452 Cb 0.99 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 63.27 2rok h SER 452 CO -0.20 1.00 -0.24 0.44 -1.14 0.00 0.00 176.83 176.69 2rok h ASP 453 N 0.78 0.07 -0.09 3.07 3.32 -1.77 -0.83 116.42 120.98 2rok h ASP 453 Ca 0.14 -0.02 -0.05 0.00 0.02 0.00 0.00 57.03 57.13 2rok h ASP 453 Cb 0.54 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 40.07 2rok h ASP 453 CO 0.03 0.32 -0.13 -0.07 -1.72 0.00 0.00 179.24 177.67 2rok h LEU 454 N 0.07 0.27 -1.12 1.55 3.38 -1.03 -0.40 115.31 118.03 2rok h LEU 454 Ca 0.01 -0.53 0.04 0.00 0.09 0.00 0.00 57.88 57.50 2rok h LEU 454 Cb 0.47 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 41.09 2rok h LEU 454 CO 0.03 0.74 0.60 1.88 0.09 0.00 0.00 178.44 181.79 2rok h TYR 455 N -0.20 1.10 -0.59 1.13 0.05 -0.96 -2.33 116.97 115.17 2rok h TYR 455 Ca 0.01 0.03 -0.09 0.00 0.05 0.00 0.00 58.73 58.72 2rok h TYR 455 Cb 0.69 -0.37 -0.02 0.00 1.01 0.00 0.00 36.73 38.04 2rok h TYR 455 CO 0.10 0.62 0.01 0.37 -1.05 0.00 0.00 178.16 178.22 2rok h GLN 456 N 1.13 1.03 -0.33 4.88 4.15 -1.07 -1.13 115.11 123.76 2rok h GLN 456 Ca 0.37 -0.31 -0.03 0.00 0.77 0.00 0.00 58.65 59.45 2rok h GLN 456 Cb 0.06 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 27.63 2rok h GLN 456 CO -0.12 1.00 0.09 1.25 -1.93 0.00 0.00 178.83 179.11 2rok h LEU 457 N 0.94 0.43 -2.86 -2.39 5.85 -0.67 -3.21 115.31 113.41 2rok h LEU 457 Ca 0.17 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.84 2rok h LEU 457 Cb 0.53 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.45 2rok h LEU 457 CO 0.03 0.44 0.00 0.49 -0.34 0.00 0.00 178.44 179.05 2rok n PHE 458 N -4.36 0.45 0.30 1.25 3.72 -0.91 -4.57 117.46 113.33 2rok n PHE 458 Ca 0.02 -0.49 0.19 0.00 -0.05 0.00 0.00 57.45 57.12 2rok n PHE 458 Cb 0.17 -0.03 1.01 0.00 -0.94 0.00 0.00 39.48 39.70 2rok n PHE 458 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 2rok h SER 459 N 2.00 0.00 0.00 4.37 0.02 -1.20 -1.66 113.55 117.08 2rok h SER 459 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2rok h SER 459 Cb 0.72 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.26 2rok h SER 459 CO 0.00 0.00 0.04 0.00 -1.14 0.00 0.00 176.83 175.73 2rok h ALA 460 N 1.82 1.02 -0.11 3.77 0.00 -1.84 -2.66 119.26 121.27 2rok h ALA 460 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2rok h ALA 460 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2rok h ALA 460 CO -0.00 -0.02 0.00 1.19 0.00 0.00 0.00 179.25 180.42 2rok n PHE 461 N -2.30 0.13 0.00 0.00 3.72 -0.62 -5.04 117.46 113.35 2rok n PHE 461 Ca -0.01 -0.20 0.00 0.00 -0.05 0.00 0.00 57.45 57.18 2rok n PHE 461 Cb 0.07 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 38.60 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 0.36 1.23 3.36 1.37 0.00 -1.00 -4.73 105.19 105.77 2rok n GLY 462 Ca 0.06 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.44 0.30 1.61 3.84 -1.26 -4.98 114.94 114.01 2rok s ASN 463 Ca 0.00 0.68 -0.01 0.00 0.21 0.00 0.00 52.86 53.73 2rok s ASN 463 Cb 0.00 0.72 -0.01 0.00 -0.55 0.00 0.00 41.25 41.41 2rok s ASN 463 CO 0.00 -0.32 0.37 0.27 -2.79 0.00 0.00 177.10 174.64 2rok s ILE 464 N -0.42 0.00 0.02 -5.21 -4.36 -1.26 -3.35 121.20 106.62 2rok s ILE 464 Ca -0.06 -1.73 0.02 0.00 -0.26 0.00 0.00 60.65 58.62 2rok s ILE 464 Cb -0.03 -2.53 -0.01 0.00 1.25 0.00 0.00 42.46 41.14 2rok s ILE 464 CO 0.03 0.00 -0.06 -1.58 0.24 0.00 0.00 174.94 173.58 2rok s GLN 465 N -3.46 0.41 -0.05 0.37 2.00 -0.68 -5.00 119.66 113.24 2rok s GLN 465 Ca 0.33 -0.45 0.05 0.00 -2.00 0.00 0.00 55.36 53.29 2rok s GLN 465 Cb 0.01 -0.26 -0.00 0.00 0.80 0.00 0.00 33.01 33.56 2rok s GLN 465 CO 0.19 0.06 -0.20 0.42 -0.50 0.00 0.00 175.29 175.25 2rok s ILE 466 N -0.78 1.69 -0.33 -2.34 1.01 -1.26 -0.97 121.20 118.22 2rok s ILE 466 Ca -0.05 -0.85 -0.01 0.00 0.00 0.00 0.00 60.65 59.74 2rok s ILE 466 Cb -0.06 -1.45 0.11 0.00 0.01 0.00 0.00 42.46 41.08 2rok s ILE 466 CO -0.00 0.48 0.14 -0.44 0.00 0.00 0.00 174.94 175.12 2rok s SER 467 N 0.03 3.72 0.80 3.58 0.01 -0.25 -5.02 113.70 116.56 2rok s SER 467 Ca -0.06 -1.81 -0.14 0.00 1.31 0.00 0.00 55.95 55.25 2rok s SER 467 Cb -0.13 -0.72 0.03 0.00 0.21 0.00 0.00 66.02 65.41 2rok s SER 467 CO 0.03 -0.38 0.85 0.79 0.41 0.00 0.00 173.24 174.94 2rok n TRP 468 N 4.60 0.16 0.00 2.43 7.02 -1.26 -0.68 117.44 129.71 2rok n TRP 468 Ca 0.01 0.36 0.00 0.00 -1.02 0.00 0.00 57.50 56.85 2rok n TRP 468 Cb 0.40 -1.99 0.00 0.00 -2.42 0.00 0.00 31.31 27.30 2rok n TRP 468 CO 0.00 0.00 0.00 -0.89 -2.02 0.00 0.00 177.69 174.78 2rok n ILE 469 N -3.03 0.00 -3.47 -0.99 5.41 -0.60 -4.50 119.36 112.18 2rok n ILE 469 Ca 0.11 0.00 -0.03 0.00 1.00 0.00 0.00 62.75 63.83 2rok n ILE 469 Cb 0.51 -0.31 -0.00 0.00 -0.71 0.00 0.00 39.64 39.12 2rok n ILE 469 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 2rok n ASP 470 N -2.01 -0.44 0.25 4.38 -0.08 -0.85 -4.86 116.55 112.94 2rok n ASP 470 Ca 0.00 -1.44 0.17 0.00 -1.51 0.00 0.00 54.79 52.01 2rok n ASP 470 Cb 0.29 0.77 0.82 0.00 2.34 0.00 0.00 41.12 45.33 2rok n ASP 470 CO 0.00 0.00 0.00 0.44 0.12 0.00 0.00 177.20 177.76 2rok h ASP 471 N 0.49 0.00 0.00 1.67 5.19 -1.98 -3.27 116.42 118.51 2rok h ASP 471 Ca -0.07 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.34 2rok h ASP 471 Cb 0.30 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.81 2rok h ASP 471 CO 0.10 0.00 0.00 0.35 -3.12 0.00 0.00 179.24 176.57 2rok n THR 472 N -2.73 0.18 -3.65 0.35 -2.24 -1.26 -4.38 114.28 100.55 2rok n THR 472 Ca -0.01 -0.40 -0.13 0.00 -2.27 0.00 0.00 64.05 61.23 2rok n THR 472 Cb 0.14 1.17 -0.06 0.00 -2.10 0.00 0.00 70.33 69.48 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 -0.18 -0.32 0.00 3.42 1.04 -1.24 -1.33 113.70 115.09 2rok s SER 473 Ca 0.00 0.08 -0.18 0.00 0.48 0.00 0.00 55.95 56.33 2rok s SER 473 Cb 0.00 0.43 0.03 0.00 0.10 0.00 0.00 66.02 66.58 2rok s SER 473 CO 0.00 -0.65 0.39 0.00 0.98 0.00 0.00 173.24 173.96 2rok s ALA 474 N -2.27 -0.96 0.18 5.32 0.00 -0.73 -1.56 121.76 121.74 2rok s ALA 474 Ca -0.07 0.42 -0.14 0.00 0.00 0.00 0.00 51.96 52.17 2rok s ALA 474 Cb -0.01 0.16 -0.07 0.00 0.00 0.00 0.00 23.12 23.20 2rok s ALA 474 CO -0.01 -0.34 0.58 -0.06 0.00 0.00 0.00 175.76 175.93 2rok s PHE 475 N -1.73 3.57 -0.16 0.00 0.08 0.15 -0.90 117.98 118.99 2rok s PHE 475 Ca -0.10 1.08 -0.04 0.00 0.12 0.00 0.00 56.93 57.99 2rok s PHE 475 Cb -0.03 -2.39 0.06 0.00 -0.57 0.00 0.00 43.02 40.09 2rok s PHE 475 CO 0.03 0.38 0.06 0.08 -0.10 0.00 0.00 175.22 175.67 2rok s VAL 476 N -1.55 0.15 0.23 -0.44 1.01 -0.20 -1.10 120.40 118.51 2rok s VAL 476 Ca 0.41 -0.24 -0.30 0.00 0.00 0.00 0.00 61.98 61.85 2rok s VAL 476 Cb -0.14 -0.70 -0.09 0.00 0.00 0.00 0.00 36.38 35.45 2rok s VAL 476 CO 0.20 -0.19 1.07 -0.44 0.00 0.00 0.00 175.10 175.73 2rok s SER 477 N 2.04 7.34 0.32 3.32 0.01 -0.14 -0.72 113.70 125.86 2rok s SER 477 Ca 0.01 2.14 0.09 0.00 1.31 0.00 0.00 55.95 59.50 2rok s SER 477 Cb -0.16 -2.61 -0.04 0.00 0.21 0.00 0.00 66.02 63.41 2rok s SER 477 CO -0.08 -0.12 0.08 -0.76 0.41 0.00 0.00 173.24 172.77 2rok s LEU 478 N -0.97 3.21 0.34 2.44 1.43 -0.50 -1.68 118.68 122.95 2rok s LEU 478 Ca 0.46 -0.76 0.05 0.00 -1.03 0.00 0.00 54.13 52.85 2rok s LEU 478 Cb -0.30 -1.68 0.61 0.00 0.03 0.00 0.00 46.19 44.85 2rok s LEU 478 CO 0.37 -0.19 1.87 -1.28 0.23 0.00 0.00 176.35 177.34 2rok h SER 479 N 1.69 0.44 -4.92 2.29 0.87 -1.84 -3.45 113.55 108.63 2rok h SER 479 Ca -0.44 -0.09 -0.17 0.00 -1.23 0.00 0.00 61.79 59.86 2rok h SER 479 Cb 1.25 -0.12 -0.21 0.00 -0.44 0.00 0.00 62.40 62.88 2rok h SER 479 CO 0.63 0.55 -0.65 -1.10 -0.53 0.00 0.00 176.83 175.72 2rok s GLN 480 N -4.88 0.34 0.44 2.24 -0.21 -1.26 -5.07 119.66 111.25 2rok s GLN 480 Ca -0.07 -0.53 0.23 0.00 0.02 0.00 0.00 55.36 55.01 2rok s GLN 480 Cb 0.15 0.13 0.95 0.00 1.00 0.00 0.00 33.01 35.24 2rok s GLN 480 CO 0.76 -0.06 1.85 -1.00 -2.12 0.00 0.00 175.29 174.72 2rok h PRO 481 N 4.64 0.00 0.00 2.91 0.13 -1.89 -2.81 132.00 134.98 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 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 2rok h PRO 481 CO 0.41 0.24 -0.19 1.05 -0.23 0.00 0.00 178.00 179.28 2rok h GLU 482 N 0.00 0.00 0.00 0.86 4.11 -1.98 -2.83 114.58 114.74 2rok h GLU 482 Ca -0.00 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.38 2rok h GLU 482 Cb 0.71 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 2rok h GLU 482 CO 0.03 0.19 -0.23 1.96 0.07 0.00 0.00 179.01 181.04 2rok h GLN 483 N 0.00 0.00 -0.41 1.06 4.20 -1.93 -2.87 115.11 115.15 2rok h GLN 483 Ca -0.00 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 2rok h GLN 483 Cb 0.43 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.19 2rok h GLN 483 CO 0.03 0.23 0.22 0.28 -0.67 0.00 0.00 178.83 178.91 2rok h VAL 484 N 0.00 1.16 -0.65 -0.54 2.07 -1.64 -1.29 116.25 115.35 2rok h VAL 484 Ca -0.00 -0.42 -0.08 0.00 0.82 0.00 0.00 66.70 67.02 2rok h VAL 484 Cb 0.55 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 30.97 2rok h VAL 484 CO 0.03 0.17 0.09 1.56 0.02 0.00 0.00 177.57 179.44 2rok h GLN 485 N 0.53 1.08 -0.03 1.57 4.20 -1.64 -2.18 115.11 118.65 2rok h GLN 485 Ca 0.15 -0.29 -0.00 0.00 0.06 0.00 0.00 58.65 58.56 2rok h GLN 485 Cb 0.07 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 27.72 2rok h GLN 485 CO -0.02 1.00 0.02 0.82 -0.67 0.00 0.00 178.83 179.98 2rok h ILE 486 N 1.01 1.05 -0.76 2.54 2.04 -1.38 -1.74 117.51 120.27 2rok h ILE 486 Ca 0.20 -0.13 -0.04 0.00 1.00 0.00 0.00 64.86 65.89 2rok h ILE 486 Cb 0.46 1.08 -0.03 0.00 -0.74 0.00 0.00 36.82 37.58 2rok h ILE 486 CO 0.02 0.04 0.32 0.00 0.00 0.00 0.00 178.15 178.53 2rok h ALA 487 N 0.96 1.13 -0.73 1.87 0.00 -1.12 -0.68 119.26 120.70 2rok h ALA 487 Ca 0.01 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 2rok h ALA 487 Cb 0.04 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 2rok h ALA 487 CO -0.00 0.63 0.26 0.28 0.00 0.00 0.00 179.25 180.42 2rok h VAL 488 N 1.10 1.26 -0.37 0.00 2.07 -1.34 -1.97 116.25 117.00 2rok h VAL 488 Ca 0.26 -0.85 -0.03 0.00 0.82 0.00 0.00 66.70 66.90 2rok h VAL 488 Cb 0.18 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 30.37 2rok h VAL 488 CO -0.03 0.34 0.11 -1.13 0.02 0.00 0.00 177.57 176.89 2rok h ASN 489 N 1.06 0.53 0.81 0.57 -1.24 -0.72 -3.24 115.58 113.36 2rok h ASN 489 Ca 0.24 -0.21 -0.10 0.00 0.71 0.00 0.00 56.30 56.94 2rok h ASN 489 Cb 0.26 -0.14 -0.01 0.00 0.73 0.00 0.00 38.32 39.16 2rok h ASN 489 CO -0.01 0.60 -0.48 0.71 -1.29 0.00 0.00 177.43 176.95 2rok h THR 490 N 0.44 1.10 0.00 -3.57 1.35 -1.07 -3.21 112.91 107.95 2rok h THR 490 Ca 0.12 -1.82 0.00 0.00 -0.55 0.00 0.00 66.41 64.16 2rok h THR 490 Cb 0.26 2.06 0.00 0.00 -1.73 0.00 0.00 68.15 68.73 2rok h THR 490 CO -0.00 0.47 0.00 0.77 -0.25 0.00 0.00 175.52 176.51 2rok h SER 491 N 0.00 0.00 0.00 5.36 4.64 -1.37 -2.30 113.55 119.88 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 1.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 2rok h SER 491 CO 0.06 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.31 2rok n LYS 492 N -3.04 0.08 -0.02 4.77 5.02 -1.21 -2.28 118.16 121.47 2rok n LYS 492 Ca -0.02 0.57 0.02 0.00 -2.02 0.00 0.00 58.31 56.86 2rok n LYS 492 Cb 0.13 -1.75 0.03 0.00 -0.02 0.00 0.00 35.03 33.42 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 -1.91 0.00 -0.82 2.13 4.01 -0.86 -5.06 117.16 114.65 2rok n TYR 493 Ca -0.01 -0.57 -0.30 0.00 -0.16 0.00 0.00 57.90 56.86 2rok n TYR 493 Cb 0.02 -0.07 0.18 0.00 -0.31 0.00 0.00 39.34 39.16 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 -1.32 0.90 0.00 -0.72 0.00 -0.97 -5.02 121.76 114.63 2rok s ALA 494 Ca 0.06 0.16 0.00 0.00 0.00 0.00 0.00 51.96 52.19 2rok s ALA 494 Cb 0.06 -3.30 0.00 0.00 0.00 0.00 0.00 23.12 19.87 2rok s ALA 494 CO 0.01 -2.95 0.00 -1.91 0.00 0.00 0.00 175.76 170.90 2rok n GLU 495 N -4.33 2.94 0.00 0.00 2.13 -1.26 -4.91 120.64 115.21 2rok n GLU 495 Ca 0.07 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.89 2rok n GLU 495 Cb 0.54 -0.34 0.00 0.00 0.27 0.00 0.00 31.44 31.90 2rok n GLU 495 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 2rok n SER 496 N -0.41 0.00 -3.37 4.31 3.41 -1.26 -5.13 113.62 111.17 2rok n SER 496 Ca 0.00 -1.00 -0.09 0.00 -0.26 0.00 0.00 58.87 57.52 2rok n SER 496 Cb 0.00 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 63.94 2rok n SER 496 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 2rok s TYR 497 N 0.00 0.16 -0.01 7.33 1.13 -1.26 -4.34 117.35 120.37 2rok s TYR 497 Ca 0.00 -0.68 -0.10 0.00 -1.41 0.00 0.00 57.07 54.88 2rok s TYR 497 Cb 0.00 0.62 0.01 0.00 -1.10 0.00 0.00 41.96 41.49 2rok s TYR 497 CO 0.00 -1.36 0.20 0.50 -2.51 0.00 0.00 175.55 172.38 2rok s ARG 498 N -3.08 0.54 0.03 -3.49 3.52 -0.22 -4.81 118.95 111.44 2rok s ARG 498 Ca 0.17 -0.31 0.03 0.00 -0.13 0.00 0.00 55.73 55.49 2rok s ARG 498 Cb -0.04 0.23 -0.02 0.00 -1.56 0.00 0.00 34.95 33.56 2rok s ARG 498 CO 0.11 -0.14 -0.09 0.42 -0.81 0.00 0.00 175.30 174.79 2rok s ILE 499 N -1.32 0.71 0.24 4.11 1.01 -1.26 -1.17 121.20 123.51 2rok s ILE 499 Ca -0.14 -0.81 -0.10 0.00 0.00 0.00 0.00 60.65 59.60 2rok s ILE 499 Cb -0.07 -0.68 -0.01 0.00 0.01 0.00 0.00 42.46 41.72 2rok s ILE 499 CO 0.02 -0.10 0.42 0.00 0.00 0.00 0.00 174.94 175.28 2rok s GLN 500 N -1.01 1.51 0.84 2.79 -2.07 -0.25 -4.86 119.66 116.60 2rok s GLN 500 Ca -0.03 -1.34 -0.11 0.00 -1.82 0.00 0.00 55.36 52.06 2rok s GLN 500 Cb -0.07 0.44 0.10 0.00 -1.09 0.00 0.00 33.01 32.38 2rok s GLN 500 CO 0.01 -0.61 1.09 0.95 -1.32 0.00 0.00 175.29 175.41 2rok s THR 501 N -3.99 2.90 0.25 3.63 -4.23 -1.26 -0.49 115.64 112.45 2rok s THR 501 Ca 0.26 0.29 -0.03 0.00 -1.18 0.00 0.00 61.69 61.02 2rok s THR 501 Cb 0.01 -2.89 0.23 0.00 1.34 0.00 0.00 72.50 71.18 2rok s THR 501 CO 0.10 -0.38 1.82 0.22 -0.54 0.00 0.00 174.62 175.84 2rok h TYR 502 N -1.31 0.94 -0.34 3.99 5.03 -1.65 -2.20 116.97 121.43 2rok h TYR 502 Ca -0.48 0.03 -0.14 0.00 2.58 0.00 0.00 58.73 60.72 2rok h TYR 502 Cb 1.27 -0.29 -0.01 0.00 1.55 0.00 0.00 36.73 39.25 2rok h TYR 502 CO 0.45 0.39 -0.37 0.00 -1.32 0.00 0.00 178.16 177.32 2rok h ALA 503 N 1.47 0.72 -0.80 1.82 0.00 -1.89 -2.22 119.26 118.36 2rok h ALA 503 Ca 0.42 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2rok h ALA 503 Cb 0.36 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 2rok h ALA 503 CO -0.24 0.66 0.45 0.93 0.00 0.00 0.00 179.25 181.05 2rok h GLU 504 N 0.65 1.11 0.21 0.00 4.39 -1.88 -0.93 114.58 118.13 2rok h GLU 504 Ca 0.06 -0.12 -0.01 0.00 0.34 0.00 0.00 59.36 59.63 2rok h GLU 504 Cb 0.92 -0.22 0.00 0.00 -0.10 0.00 0.00 28.75 29.35 2rok h GLU 504 CO 0.08 0.81 -0.10 -0.92 -1.16 0.00 0.00 179.01 177.72 2rok h TYR 505 N 1.10 -0.26 -0.70 4.33 3.20 -1.31 -3.05 116.97 120.29 2rok h TYR 505 Ca 0.28 -0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.24 2rok h TYR 505 Cb 0.02 0.09 -0.07 0.00 1.54 0.00 0.00 36.73 38.30 2rok h TYR 505 CO 0.00 -0.12 0.34 0.28 -1.64 0.00 0.00 178.16 177.02 2rok h VAL 506 N -0.33 0.85 0.00 1.81 2.07 -1.22 -1.05 116.25 118.38 2rok h VAL 506 Ca -0.03 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.29 2rok h VAL 506 Cb 0.26 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 30.24 2rok h VAL 506 CO 0.05 0.11 0.00 0.61 0.02 0.00 0.00 177.57 178.36 2rok n GLY 507 N -1.30 -0.95 0.00 2.17 0.00 -0.37 -2.70 105.19 102.03 2rok n GLY 507 Ca 0.11 -0.05 0.03 0.00 0.00 0.00 0.00 46.02 46.10 2rok n GLY 507 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2rok n LYS 508 N -1.46 3.76 -0.34 1.61 5.02 -0.75 -4.20 118.16 121.81 2rok n LYS 508 Ca 0.04 -0.01 0.01 0.00 -2.02 0.00 0.00 58.31 56.33 2rok n LYS 508 Cb 0.16 -0.87 0.18 0.00 -0.02 0.00 0.00 35.03 34.47 2rok n LYS 508 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 2rok h LYS 509 N 0.00 1.16 0.00 1.97 3.64 -1.01 -3.42 116.57 118.91 2rok h LYS 509 Ca 0.00 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 2rok h LYS 509 Cb 0.17 -0.26 0.00 0.00 -0.41 0.00 0.00 32.23 31.73 2rok h LYS 509 CO 0.00 0.76 0.00 1.04 -2.27 0.00 0.00 179.45 178.98 2rok n GLN 510 N -4.45 0.00 -3.89 1.90 1.13 -1.26 -5.12 117.38 105.69 2rok n GLN 510 Ca 0.13 0.00 -0.08 0.00 -1.94 0.00 0.00 57.00 55.11 2rok n GLN 510 Cb 0.11 -0.04 -0.03 0.00 0.11 0.00 0.00 30.24 30.39 2rok n GLN 510 CO 0.00 0.00 0.00 -1.59 -1.44 0.00 0.00 177.06 174.03 2rok s LYS 511 N -1.88 1.68 0.18 -1.09 -2.85 -1.26 -5.18 119.74 109.34 2rok s LYS 511 Ca 0.00 -1.06 -0.23 0.00 -1.00 0.00 0.00 55.97 53.68 2rok s LYS 511 Cb 0.00 0.56 0.08 0.00 -2.06 0.00 0.00 37.83 36.40 2rok s LYS 511 CO 0.00 -0.74 1.03 0.20 0.10 0.00 0.00 175.35 175.94 2rok s GLY 512 N -2.95 0.06 1.01 0.59 0.00 -1.26 -4.49 107.32 100.28 2rok s GLY 512 Ca 0.15 -0.25 -0.12 0.00 0.00 0.00 0.00 44.72 44.49 2rok s GLY 512 CO 0.07 2.04 1.08 0.54 0.00 0.00 0.00 173.10 176.82 2rok s LYS 513 N -2.33 0.33 0.09 2.90 1.02 -1.26 -5.10 119.74 115.39 2rok s LYS 513 Ca 0.20 0.80 0.03 0.00 0.02 0.00 0.00 55.97 57.03 2rok s LYS 513 Cb -0.02 -1.70 -0.03 0.00 -0.52 0.00 0.00 37.83 35.55 2rok s LYS 513 CO 0.05 -2.87 -0.09 -0.65 -0.92 0.00 0.00 175.35 170.87 2rok s GLN 514 N -4.78 0.78 0.36 1.68 -0.21 -1.26 -5.08 119.66 111.15 2rok s GLN 514 Ca 0.66 -1.12 0.27 0.00 0.02 0.00 0.00 55.36 55.19 2rok s GLN 514 Cb -0.21 -0.41 0.98 0.00 1.00 0.00 0.00 33.01 34.37 2rok s GLN 514 CO 0.59 0.05 1.79 -0.39 -2.12 0.00 0.00 175.29 175.22 2rok h VAL 515 N 3.61 0.00 -2.93 1.09 -1.51 -2.11 -3.45 116.25 110.96 2rok h VAL 515 Ca -0.37 -0.46 -0.11 0.00 -1.23 0.00 0.00 66.70 64.53 2rok h VAL 515 Cb 1.19 1.36 -0.20 0.00 -2.13 0.00 0.00 31.29 31.50 2rok h VAL 515 CO 0.53 0.00 -0.23 -0.75 -1.23 0.00 0.00 177.57 175.89 2rok s LYS 516 N -3.36 0.70 0.15 5.19 2.47 -1.26 -5.19 119.74 118.45 2rok s LYS 516 Ca 0.05 -0.13 -0.03 0.00 -1.56 0.00 0.00 55.97 54.30 2rok s LYS 516 Cb 0.09 0.31 -0.03 0.00 -1.46 0.00 0.00 37.83 36.75 2rok s LYS 516 CO 0.51 -0.19 0.13 -1.12 0.16 0.00 0.00 175.35 174.84 2rok s SER 517 N -1.28 0.21 -0.01 1.43 0.01 -1.26 -5.20 113.70 107.61 2rok s SER 517 Ca -0.13 -1.15 -0.30 0.00 1.31 0.00 0.00 55.95 55.69 2rok s SER 517 Cb -0.05 0.35 0.11 0.00 0.21 0.00 0.00 66.02 66.65 2rok s SER 517 CO 0.05 -0.80 1.28 -0.83 0.41 0.00 0.00 173.24 173.35 2rok s GLY 518 N -3.04 -0.35 0.47 3.44 0.00 -1.26 -5.05 107.32 101.52 2rok s GLY 518 Ca 0.25 0.55 0.27 0.00 0.00 0.00 0.00 44.72 45.78 2rok s GLY 518 CO 0.03 1.15 1.76 -0.56 0.00 0.00 0.00 173.10 175.47 2rok h PRO 519 N 2.00 0.00 -3.22 2.90 0.13 -2.08 -3.47 132.00 128.27 2rok h PRO 519 Ca -0.29 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.86 2rok h PRO 519 Cb 1.20 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.26 2rok h PRO 519 CO 0.29 0.05 0.11 -1.54 -0.23 0.00 0.00 178.00 176.69 2rok s SER 520 N -6.03 -0.22 0.00 1.44 1.04 -1.26 -5.09 113.70 103.58 2rok s SER 520 Ca 0.04 -0.68 0.00 0.00 0.48 0.00 0.00 55.95 55.79 2rok s SER 520 Cb 0.07 0.67 0.00 0.00 0.10 0.00 0.00 66.02 66.86 2rok s SER 520 CO 0.63 -1.26 0.64 -1.20 0.98 0.00 0.00 173.24 173.03 2rok n SER 521 N -0.43 0.68 0.00 7.02 7.64 -1.26 -5.16 113.62 122.11 2rok n SER 521 Ca -0.04 -1.33 0.00 0.00 1.01 0.00 0.00 58.87 58.51 2rok n SER 521 Cb 0.60 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.80 2rok n SER 521 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64