#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cqe s SER 423 N 0.00 4.51 0.25 1.61 0.15 -1.26 -5.13 113.70 113.84 2cqe s SER 423 Ca 0.00 -0.06 0.05 0.00 0.70 0.00 0.00 55.95 56.64 2cqe s SER 423 Cb 0.00 -1.12 -0.03 0.00 -1.71 0.00 0.00 66.02 63.16 2cqe s SER 423 CO 0.00 0.35 0.37 -0.94 1.20 0.00 0.00 173.24 174.23 2cqe s SER 424 N -0.76 6.29 0.00 5.45 1.04 -1.26 -5.10 113.70 119.36 2cqe s SER 424 Ca 0.12 0.06 0.00 0.00 0.48 0.00 0.00 55.95 56.60 2cqe s SER 424 Cb -0.11 -1.81 0.00 0.00 0.10 0.00 0.00 66.02 64.20 2cqe s SER 424 CO 0.01 -0.11 0.00 0.61 0.98 0.00 0.00 173.24 174.73 2cqe n GLY 425 N -1.44 0.25 3.45 7.32 0.00 -1.26 -5.08 105.19 108.43 2cqe n GLY 425 Ca -0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.61 2cqe n GLY 425 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cqe s SER 426 N -0.47 3.98 -0.16 1.61 0.01 -1.26 -5.03 113.70 112.38 2cqe s SER 426 Ca 0.00 -0.23 -0.14 0.00 1.31 0.00 0.00 55.95 56.90 2cqe s SER 426 Cb 0.00 -0.92 -0.23 0.00 0.21 0.00 0.00 66.02 65.07 2cqe s SER 426 CO 0.00 0.32 0.32 -1.28 0.41 0.00 0.00 173.24 173.01 2cqe h SER 427 N 5.53 0.24 0.00 2.44 0.87 -2.07 -3.50 113.55 117.05 2cqe h SER 427 Ca -0.44 -0.75 0.00 0.00 -1.23 0.00 0.00 61.79 59.37 2cqe h SER 427 Cb 1.16 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 63.04 2cqe h SER 427 CO 0.51 1.69 0.00 0.61 -0.53 0.00 0.00 176.83 179.10 2cqe n GLY 428 N 1.73 2.69 3.61 5.77 0.00 -1.26 -5.17 105.19 112.56 2cqe n GLY 428 Ca -0.32 -0.45 -0.29 0.00 0.00 0.00 0.00 46.02 44.96 2cqe n GLY 428 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2cqe s GLU 429 N -1.98 2.22 0.17 1.61 8.01 -1.26 -5.14 118.70 122.33 2cqe s GLU 429 Ca 0.00 -1.04 0.07 0.00 0.01 0.00 0.00 54.97 54.01 2cqe s GLU 429 Cb 0.00 -2.33 -0.04 0.00 -4.31 0.00 0.00 34.13 27.45 2cqe s GLU 429 CO 0.00 0.49 0.03 -0.51 0.01 0.00 0.00 175.26 175.28 2cqe s LEU 430 N -2.42 3.43 0.00 1.80 1.02 -1.26 -5.00 118.68 116.25 2cqe s LEU 430 Ca 0.23 -0.32 0.16 0.00 0.02 0.00 0.00 54.13 54.22 2cqe s LEU 430 Cb -0.11 -2.07 0.92 0.00 0.02 0.00 0.00 46.19 44.95 2cqe s LEU 430 CO 0.15 0.09 1.35 -0.81 0.02 0.00 0.00 176.35 177.15 2cqe n PRO 431 N -0.12 0.47 -2.07 1.29 -0.04 -1.26 -4.77 135.00 128.51 2cqe n PRO 431 Ca -0.09 0.01 -0.27 0.00 -0.04 0.00 0.00 63.50 63.10 2cqe n PRO 431 Cb 0.55 -1.50 0.10 0.00 -0.04 0.00 0.00 33.50 32.60 2cqe n PRO 431 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2cqe s LYS 432 N -2.03 1.85 -0.05 0.54 1.02 -1.26 -5.01 119.74 114.80 2cqe s LYS 432 Ca 0.23 -0.19 0.06 0.00 0.02 0.00 0.00 55.97 56.09 2cqe s LYS 432 Cb 0.11 -2.05 -0.01 0.00 -0.52 0.00 0.00 37.83 35.36 2cqe s LYS 432 CO 0.18 -1.56 -0.25 0.15 -0.92 0.00 0.00 175.35 172.96 2cqe s LYS 433 N -5.46 2.36 -0.44 1.68 3.01 0.85 -5.02 119.74 116.72 2cqe s LYS 433 Ca 0.63 -0.88 -0.02 0.00 -1.01 0.00 0.00 55.97 54.69 2cqe s LYS 433 Cb -0.10 -2.07 0.26 0.00 -1.01 0.00 0.00 37.83 34.91 2cqe s LYS 433 CO 0.47 0.41 2.12 0.54 0.51 0.00 0.00 175.35 179.41 2cqe n ARG 434 N 2.83 2.14 -4.37 1.68 3.00 -1.26 -3.95 116.66 116.73 2cqe n ARG 434 Ca -0.17 -2.16 -0.26 0.00 -0.01 0.00 0.00 57.85 55.25 2cqe n ARG 434 Cb 0.52 -1.87 -0.12 0.00 0.00 0.00 0.00 32.46 30.98 2cqe n ARG 434 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 2cqe s GLU 435 N -2.38 1.36 -0.32 5.56 2.02 -1.26 -4.81 118.70 118.86 2cqe s GLU 435 Ca 0.44 -1.39 -0.29 0.00 0.02 0.00 0.00 54.97 53.75 2cqe s GLU 435 Cb 0.33 -1.65 0.01 0.00 0.10 0.00 0.00 34.13 32.93 2cqe s GLU 435 CO -0.05 0.37 1.14 -1.17 0.02 0.00 0.00 175.26 175.56 2cqe s LEU 436 N -2.39 3.91 0.08 1.80 2.96 -1.26 -2.71 118.68 121.07 2cqe s LEU 436 Ca 0.15 1.06 -0.37 0.00 -0.22 0.00 0.00 54.13 54.76 2cqe s LEU 436 Cb -0.08 -3.54 -0.17 0.00 0.50 0.00 0.00 46.19 42.89 2cqe s LEU 436 CO 0.07 -0.95 1.21 0.00 -1.32 0.00 0.00 176.35 175.36 2cqe n LYS 438 N 2.06 0.76 -0.08 0.00 4.01 -1.26 -3.50 118.16 120.14 2cqe n LYS 438 Ca 0.18 0.00 -0.18 0.00 -0.51 0.00 0.00 58.31 57.81 2cqe n LYS 438 Cb 0.17 -1.47 -0.06 0.00 -0.51 0.00 0.00 35.03 33.16 2cqe n LYS 438 CO 0.00 0.00 0.00 1.19 -1.11 0.00 0.00 177.40 177.48 2cqe n PHE 439 N -0.97 0.00 -0.28 2.13 3.72 -1.26 -4.55 117.46 116.25 2cqe n PHE 439 Ca 0.17 0.00 0.33 0.00 -0.05 0.00 0.00 57.45 57.90 2cqe n PHE 439 Cb 0.08 -0.59 0.74 0.00 -0.94 0.00 0.00 39.48 38.77 2cqe n PHE 439 CO 0.00 0.00 0.00 -0.92 -0.05 0.00 0.00 176.76 175.79 2cqe h TYR 440 N -0.59 0.01 -1.35 1.38 3.20 -1.79 0.32 116.97 118.14 2cqe h TYR 440 Ca -0.42 0.00 0.40 0.00 3.14 0.00 0.00 58.73 61.86 2cqe h TYR 440 Cb 1.36 -0.00 -0.10 0.00 1.54 0.00 0.00 36.73 39.53 2cqe h TYR 440 CO -0.06 0.00 0.91 0.82 -1.64 0.00 0.00 178.16 178.20 2cqe h ILE 441 N 0.00 0.24 0.00 1.81 2.04 -1.80 0.55 117.51 120.36 2cqe h ILE 441 Ca 0.52 -0.04 -0.27 0.00 1.00 0.00 0.00 64.86 66.07 2cqe h ILE 441 Cb 2.09 0.12 -0.05 0.00 -0.74 0.00 0.00 36.82 38.24 2cqe h ILE 441 CO -0.01 0.02 -2.09 0.35 0.00 0.00 0.00 178.15 176.42 2cqe n THR 442 N -4.44 1.03 0.00 -0.27 -2.24 0.08 -5.01 114.28 103.43 2cqe n THR 442 Ca 0.34 -0.67 0.00 0.00 -2.27 0.00 0.00 64.05 61.45 2cqe n THR 442 Cb 1.38 -0.51 0.00 0.00 -2.10 0.00 0.00 70.33 69.10 2cqe n THR 442 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2cqe n GLY 443 N 1.96 1.08 3.33 3.38 0.00 0.18 -5.06 105.19 110.05 2cqe n GLY 443 Ca -0.25 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.32 2cqe n GLY 443 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2cqe s PHE 444 N -2.00 3.21 -0.25 1.61 2.19 -1.25 -4.91 117.98 116.59 2cqe s PHE 444 Ca 0.00 -1.25 -0.03 0.00 0.33 0.00 0.00 56.93 55.98 2cqe s PHE 444 Cb 0.00 -3.86 0.08 0.00 -1.31 0.00 0.00 43.02 37.93 2cqe s PHE 444 CO 0.00 -1.09 0.08 0.00 1.83 0.00 0.00 175.22 176.04 2cqe h ALA 446 N 8.26 -0.47 -1.60 0.00 0.00 -2.00 -3.30 119.26 120.16 2cqe h ALA 446 Ca -0.16 0.09 -0.57 0.00 0.00 0.00 0.00 54.91 54.27 2cqe h ALA 446 Cb 1.07 1.29 -0.09 0.00 0.00 0.00 0.00 17.79 20.06 2cqe h ALA 446 CO 0.39 -0.81 0.87 1.03 0.00 0.00 0.00 179.25 180.74 2cqe s ARG 447 N -5.06 3.39 0.00 0.00 0.52 -1.26 -4.92 118.95 111.62 2cqe s ARG 447 Ca -0.10 -0.02 0.00 0.00 -0.52 0.00 0.00 55.73 55.09 2cqe s ARG 447 Cb 0.09 -4.06 0.00 0.00 0.52 0.00 0.00 34.95 31.49 2cqe s ARG 447 CO 0.51 -1.73 0.00 0.00 0.02 0.00 0.00 175.30 174.10 2cqe n ALA 448 N 8.34 0.00 1.90 2.13 0.00 -1.24 -3.35 120.51 128.29 2cqe n ALA 448 Ca 0.05 -0.01 0.12 0.00 0.00 0.00 0.00 53.44 53.60 2cqe n ALA 448 Cb 0.48 0.00 0.66 0.00 0.00 0.00 0.00 19.45 20.59 2cqe n ALA 448 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2cqe n GLU 449 N -1.31 1.10 0.00 0.00 2.13 -1.26 -2.93 120.64 118.38 2cqe n GLU 449 Ca 0.00 -0.15 0.08 0.00 0.66 0.00 0.00 57.16 57.75 2cqe n GLU 449 Cb 0.00 -1.37 -0.01 0.00 0.27 0.00 0.00 31.44 30.32 2cqe n GLU 449 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 2cqe n ASN 450 N -0.70 1.62 -4.61 4.31 3.02 -1.26 -4.93 115.26 112.71 2cqe n ASN 450 Ca 0.17 -1.31 -0.43 0.00 -0.03 0.00 0.00 54.58 52.99 2cqe n ASN 450 Cb 0.12 0.53 -0.02 0.00 -0.61 0.00 0.00 39.78 39.79 2cqe n ASN 450 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2cqe n PRO 452 N 7.98 0.49 -1.97 0.00 -0.04 -1.26 -4.74 135.00 135.45 2cqe n PRO 452 Ca 0.18 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.55 2cqe n PRO 452 Cb 0.47 -1.40 0.03 0.00 -0.04 0.00 0.00 33.50 32.56 2cqe n PRO 452 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2cqe n TYR 453 N -0.90 -2.61 -3.79 0.54 4.02 -1.26 -0.10 117.16 113.06 2cqe n TYR 453 Ca 0.09 -1.02 -0.36 0.00 -0.01 0.00 0.00 57.90 56.61 2cqe n TYR 453 Cb 0.04 -0.26 -0.06 0.00 -0.02 0.00 0.00 39.34 39.04 2cqe n TYR 453 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 176.86 174.21 2cqe s MET 454 N -3.26 3.56 0.00 -0.72 -1.94 -1.10 -4.88 119.30 110.96 2cqe s MET 454 Ca 0.29 -0.06 0.00 0.00 -1.71 0.00 0.00 55.69 54.21 2cqe s MET 454 Cb -0.02 -3.14 0.00 0.00 2.01 0.00 0.00 34.83 33.67 2cqe s MET 454 CO 0.18 0.71 0.00 0.72 -0.01 0.00 0.00 175.02 176.62 2cqe n HIS 455 N 1.53 0.00 -0.02 -0.03 8.25 -1.26 -3.44 115.22 120.26 2cqe n HIS 455 Ca -0.15 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.31 2cqe n HIS 455 Cb 0.54 0.01 -0.00 0.00 1.12 0.00 0.00 29.99 31.66 2cqe n HIS 455 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 2cqe h GLY 456 N 0.00 0.00 -0.65 -1.41 0.00 -1.95 -3.35 103.07 95.71 2cqe h GLY 456 Ca 0.00 0.00 0.24 0.00 0.00 0.00 0.00 47.33 47.57 2cqe h GLY 456 CO 0.00 0.00 0.22 1.22 0.00 0.00 0.00 176.54 177.98 2cqe n ASP 457 N -3.04 0.11 -4.62 0.19 9.92 -1.26 -3.66 116.55 114.19 2cqe n ASP 457 Ca -0.00 1.09 -0.55 0.00 -0.53 0.00 0.00 54.79 54.80 2cqe n ASP 457 Cb 0.01 -0.48 -0.07 0.00 -0.64 0.00 0.00 41.12 39.94 2cqe n ASP 457 CO 0.00 0.00 0.00 0.33 0.13 0.00 0.00 177.20 177.66 2cqe n PHE 458 N -4.62 1.56 -2.26 1.24 7.35 -1.26 -4.79 117.46 114.69 2cqe n PHE 458 Ca 0.21 0.68 -0.38 0.00 -0.76 0.00 0.00 57.45 57.21 2cqe n PHE 458 Cb 0.71 -2.33 -0.01 0.00 0.35 0.00 0.00 39.48 38.19 2cqe n PHE 458 CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 2cqe s PRO 459 N 1.35 3.92 0.39 -7.13 0.04 -1.26 -3.52 135.00 128.80 2cqe s PRO 459 Ca 0.90 1.84 -0.26 0.00 0.04 0.00 0.00 61.00 63.52 2cqe s PRO 459 Cb -1.05 -2.57 -0.09 0.00 0.04 0.00 0.00 34.50 30.84 2cqe s PRO 459 CO 0.55 -0.43 1.21 0.00 0.04 0.00 0.00 177.00 178.36 2cqe h LYS 461 N 2.75 -0.02 -0.55 0.00 3.64 -1.94 -3.34 116.57 117.11 2cqe h LYS 461 Ca -0.49 0.00 0.08 0.00 -1.27 0.00 0.00 60.65 58.97 2cqe h LYS 461 Cb 1.24 0.00 -0.10 0.00 -0.41 0.00 0.00 32.23 32.96 2cqe h LYS 461 CO 0.63 -0.01 -0.48 -0.07 -2.27 0.00 0.00 179.45 177.24 2cqe h LEU 462 N -0.48 -1.65 -0.95 5.20 3.38 -1.94 0.71 115.31 119.58 2cqe h LEU 462 Ca -0.00 0.25 0.26 0.00 0.09 0.00 0.00 57.88 58.48 2cqe h LEU 462 Cb 0.02 0.72 -0.04 0.00 0.09 0.00 0.00 40.66 41.45 2cqe h LEU 462 CO 0.00 -0.35 1.17 0.22 0.09 0.00 0.00 178.44 179.57 2cqe h TYR 463 N -0.27 0.00 0.00 1.13 5.03 -1.75 0.60 116.97 121.71 2cqe h TYR 463 Ca 0.14 0.00 -0.34 0.00 2.58 0.00 0.00 58.73 61.11 2cqe h TYR 463 Cb 0.57 0.00 -0.05 0.00 1.55 0.00 0.00 36.73 38.79 2cqe h TYR 463 CO -0.73 0.00 -2.12 0.72 -1.32 0.00 0.00 178.16 174.70 2cqe n HIS 464 N -3.17 0.00 -0.20 -3.82 8.25 0.21 -1.91 115.22 114.58 2cqe n HIS 464 Ca 0.20 0.00 0.16 0.00 -0.26 0.00 0.00 57.72 57.82 2cqe n HIS 464 Cb 1.44 -0.85 0.30 0.00 1.12 0.00 0.00 29.99 32.00 2cqe n HIS 464 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 2cqe n THR 465 N -4.26 -0.26 0.00 1.59 -2.24 0.87 -2.77 114.28 107.20 2cqe n THR 465 Ca -0.43 1.28 0.00 0.00 -2.27 0.00 0.00 64.05 62.63 2cqe n THR 465 Cb 0.78 -2.00 0.00 0.00 -2.10 0.00 0.00 70.33 67.01 2cqe n THR 465 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2cqe n THR 466 N -4.52 0.00 0.00 4.28 -2.24 -1.01 -5.06 114.28 105.72 2cqe n THR 466 Ca 0.20 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.98 2cqe n THR 466 Cb 0.68 -0.40 0.00 0.00 -2.10 0.00 0.00 70.33 68.51 2cqe n THR 466 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2cqe n GLY 467 N 2.50 2.17 3.43 3.38 0.00 -0.80 -5.08 105.19 110.79 2cqe n GLY 467 Ca 0.00 -0.28 -0.31 0.00 0.00 0.00 0.00 46.02 45.43 2cqe n GLY 467 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2cqe s ASN 468 N -0.20 3.67 -0.43 1.61 2.47 -1.23 -4.63 114.94 116.20 2cqe s ASN 468 Ca 0.00 -0.42 -0.13 0.00 0.42 0.00 0.00 52.86 52.73 2cqe s ASN 468 Cb 0.00 -0.57 0.05 0.00 -1.45 0.00 0.00 41.25 39.28 2cqe s ASN 468 CO 0.00 0.28 0.31 0.00 -3.72 0.00 0.00 177.10 173.97 2cqe h ILE 470 N 5.80 0.03 0.27 0.00 6.09 -1.99 0.70 117.51 128.41 2cqe h ILE 470 Ca -0.27 -0.01 -0.00 0.00 -1.37 0.00 0.00 64.86 63.22 2cqe h ILE 470 Cb 1.11 0.01 -0.03 0.00 0.47 0.00 0.00 36.82 38.38 2cqe h ILE 470 CO 0.78 0.00 -0.43 0.78 -3.07 0.00 0.00 178.15 176.22 2cqe h ASN 471 N 0.02 -1.22 0.00 2.19 2.35 -2.01 -3.49 115.58 113.42 2cqe h ASN 471 Ca 0.87 0.11 0.00 0.00 -0.55 0.00 0.00 56.30 56.74 2cqe h ASN 471 Cb 2.80 0.43 0.00 0.00 0.05 0.00 0.00 38.32 41.59 2cqe h ASN 471 CO -0.46 -0.51 0.00 0.61 -1.65 0.00 0.00 177.43 175.42 2cqe n GLY 472 N -1.43 0.57 0.18 2.83 0.00 0.24 -4.40 105.19 103.18 2cqe n GLY 472 Ca -0.09 -1.75 0.00 0.00 0.00 0.00 0.00 46.02 44.18 2cqe n GLY 472 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2cqe n ASP 473 N 0.00 0.38 -0.04 1.61 8.00 -1.26 -3.01 116.55 122.24 2cqe n ASP 473 Ca 0.00 -2.00 0.00 0.00 0.71 0.00 0.00 54.79 53.50 2cqe n ASP 473 Cb 0.00 -0.18 -0.11 0.00 -0.02 0.00 0.00 41.12 40.82 2cqe n ASP 473 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2cqe n ASP 474 N -0.31 1.68 -4.62 -2.24 8.00 -1.26 -5.00 116.55 112.80 2cqe n ASP 474 Ca 0.00 0.00 -0.59 0.00 0.71 0.00 0.00 54.79 54.91 2cqe n ASP 474 Cb 0.09 1.23 -0.08 0.00 -0.02 0.00 0.00 41.12 42.34 2cqe n ASP 474 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2cqe n MET 476 N 2.99 1.16 -4.35 0.00 0.00 -1.26 -4.81 117.12 110.85 2cqe n MET 476 Ca 0.23 -0.24 -0.20 0.00 0.00 0.00 0.00 57.70 57.49 2cqe n MET 476 Cb 0.08 -1.22 -0.10 0.00 0.00 0.00 0.00 33.22 31.97 2cqe n MET 476 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 175.97 175.91 2cqe s PHE 477 N -0.50 1.81 0.18 3.17 0.08 -1.26 -4.84 117.98 116.61 2cqe s PHE 477 Ca 0.04 -0.51 -0.30 0.00 0.12 0.00 0.00 56.93 56.29 2cqe s PHE 477 Cb 0.04 -0.86 -0.08 0.00 -0.57 0.00 0.00 43.02 41.55 2cqe s PHE 477 CO 0.01 0.39 0.94 -1.12 -0.10 0.00 0.00 175.22 175.34 2cqe s SER 478 N -3.08 7.58 -0.15 1.36 0.01 -1.23 -4.88 113.70 113.31 2cqe s SER 478 Ca 0.21 1.87 0.16 0.00 1.31 0.00 0.00 55.95 59.49 2cqe s SER 478 Cb -0.03 -2.60 0.55 0.00 0.21 0.00 0.00 66.02 64.15 2cqe s SER 478 CO 0.08 0.06 1.46 1.41 0.41 0.00 0.00 173.24 176.66 2cqe n HIS 479 N 2.05 1.08 -1.38 2.43 8.25 -1.26 -1.27 115.22 125.11 2cqe n HIS 479 Ca -0.00 -0.78 -0.35 0.00 -0.26 0.00 0.00 57.72 56.33 2cqe n HIS 479 Cb 0.48 -0.29 0.10 0.00 1.12 0.00 0.00 29.99 31.40 2cqe n HIS 479 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2cqe s ASP 480 N -1.54 4.02 -0.16 0.41 1.01 -1.26 -4.91 116.67 114.24 2cqe s ASP 480 Ca 0.42 2.48 -0.29 0.00 0.71 0.00 0.00 52.55 55.86 2cqe s ASP 480 Cb 0.32 -2.60 -0.03 0.00 1.01 0.00 0.00 42.92 41.61 2cqe s ASP 480 CO 0.12 -2.39 1.58 -2.16 0.21 0.00 0.00 175.17 172.53 2cqe s PRO 481 N -3.81 3.97 0.58 8.23 0.04 -1.26 -4.91 135.00 137.84 2cqe s PRO 481 Ca 0.77 1.81 -0.18 0.00 0.04 0.00 0.00 61.00 63.45 2cqe s PRO 481 Cb -0.33 -3.98 -0.15 0.00 0.04 0.00 0.00 34.50 30.09 2cqe s PRO 481 CO 0.46 -1.08 -0.24 1.28 0.04 0.00 0.00 177.00 177.46 2cqe n LEU 482 N 7.80 -3.99 -4.17 -3.56 4.77 -1.26 -5.00 117.00 111.59 2cqe n LEU 482 Ca 0.18 0.57 -0.10 0.00 -0.03 0.00 0.00 56.01 56.62 2cqe n LEU 482 Cb 0.44 -0.82 -0.10 0.00 -2.33 0.00 0.00 43.42 40.61 2cqe n LEU 482 CO 0.63 -4.91 -0.30 0.42 -1.33 0.00 0.00 177.39 171.90 2cqe s THR 483 N -1.96 0.18 0.40 -5.08 -4.23 -1.26 -4.86 115.64 98.82 2cqe s THR 483 Ca 0.53 -1.93 0.25 0.00 -1.18 0.00 0.00 61.69 59.37 2cqe s THR 483 Cb -0.44 -2.09 0.41 0.00 1.34 0.00 0.00 72.50 71.72 2cqe s THR 483 CO 0.68 -0.43 1.58 1.05 -0.54 0.00 0.00 174.62 176.96 2cqe h GLU 484 N 2.82 0.02 0.00 3.99 4.11 -1.98 0.73 114.58 124.26 2cqe h GLU 484 Ca -0.35 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.08 2cqe h GLU 484 Cb 1.20 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 2cqe h GLU 484 CO 0.59 0.01 0.00 0.39 0.07 0.00 0.00 179.01 180.07 2cqe n GLU 485 N -5.05 0.00 -0.33 1.06 4.71 -1.26 -3.93 120.64 115.84 2cqe n GLU 485 Ca 0.39 0.18 0.03 0.00 -0.01 0.00 0.00 57.16 57.75 2cqe n GLU 485 Cb 1.38 -0.67 0.10 0.00 -1.01 0.00 0.00 31.44 31.24 2cqe n GLU 485 CO 0.00 0.00 0.00 1.79 0.09 0.00 0.00 177.13 179.01 2cqe h THR 486 N 0.00 0.07 -0.97 2.62 1.35 -1.89 0.38 112.91 114.47 2cqe h THR 486 Ca 0.00 0.00 0.31 0.00 -0.55 0.00 0.00 66.41 66.17 2cqe h THR 486 Cb 0.00 0.07 -0.18 0.00 -1.73 0.00 0.00 68.15 66.31 2cqe h THR 486 CO 0.00 0.00 0.19 -1.14 -0.25 0.00 0.00 175.52 174.32 2cqe n ARG 487 N -5.56 -0.07 -0.37 4.72 3.00 0.25 0.19 116.66 118.82 2cqe n ARG 487 Ca 0.13 1.42 0.01 0.00 -0.00 0.00 0.00 57.85 59.41 2cqe n ARG 487 Cb 0.45 -2.34 0.15 0.00 0.00 0.00 0.00 32.46 30.72 2cqe n ARG 487 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.63 179.12 2cqe h GLU 488 N 0.00 1.20 -0.06 -0.14 4.81 -0.35 -3.10 114.58 116.93 2cqe h GLU 488 Ca 0.67 -0.07 0.01 0.00 -0.13 0.00 0.00 59.36 59.83 2cqe h GLU 488 Cb 1.54 -0.27 -0.01 0.00 0.63 0.00 0.00 28.75 30.64 2cqe h GLU 488 CO -0.86 0.79 -0.10 -0.07 -0.73 0.00 0.00 179.01 178.04 2cqe h LEU 489 N 1.23 -0.34 -0.96 1.64 3.38 0.21 -2.29 115.31 118.17 2cqe h LEU 489 Ca 0.41 0.04 0.11 0.00 0.09 0.00 0.00 57.88 58.54 2cqe h LEU 489 Cb 0.06 0.14 -0.13 0.00 0.09 0.00 0.00 40.66 40.82 2cqe h LEU 489 CO -0.14 -0.08 -0.50 -0.07 0.09 0.00 0.00 178.44 177.73 2cqe h LEU 490 N -0.08 -1.85 -1.39 1.67 3.38 -1.55 1.02 115.31 116.51 2cqe h LEU 490 Ca 0.01 0.32 0.42 0.00 0.09 0.00 0.00 57.88 58.72 2cqe h LEU 490 Cb 0.12 0.86 -0.13 0.00 0.09 0.00 0.00 40.66 41.60 2cqe h LEU 490 CO -0.10 -0.26 0.83 0.44 0.09 0.00 0.00 178.44 179.43 2cqe h ASP 491 N -0.02 0.26 0.37 -0.43 5.19 -1.41 0.96 116.42 121.34 2cqe h ASP 491 Ca 0.23 0.14 -0.32 0.00 -0.62 0.00 0.00 57.03 56.46 2cqe h ASP 491 Cb 0.49 0.12 0.03 0.00 0.18 0.00 0.00 39.33 40.15 2cqe h ASP 491 CO -0.94 -0.17 -1.42 0.50 -3.12 0.00 0.00 179.24 174.09 2cqe h LYS 492 N 0.11 0.46 0.42 3.56 3.64 0.15 -3.24 116.57 121.66 2cqe h LYS 492 Ca 0.80 -0.79 -0.02 0.00 -1.27 0.00 0.00 60.65 59.38 2cqe h LYS 492 Cb 2.49 0.29 0.00 0.00 -0.41 0.00 0.00 32.23 34.60 2cqe h LYS 492 CO -0.42 1.38 -0.20 1.98 -2.27 0.00 0.00 179.45 179.92 2cqe h MET 493 N 0.13 -0.54 -0.99 1.90 4.05 0.24 -0.98 114.93 118.74 2cqe h MET 493 Ca -0.22 0.04 0.22 0.00 -0.28 0.00 0.00 59.70 59.45 2cqe h MET 493 Cb 2.12 0.12 -0.19 0.00 -0.80 0.00 0.00 31.60 32.85 2cqe h MET 493 CO 0.25 -0.36 -0.18 1.28 0.23 0.00 0.00 176.91 178.13 2cqe n LEU 494 N -4.41 -0.30 -0.14 3.39 7.99 0.12 0.66 117.00 124.31 2cqe n LEU 494 Ca -0.07 1.71 -0.11 0.00 -0.01 0.00 0.00 56.01 57.53 2cqe n LEU 494 Cb 0.22 -0.54 -0.01 0.00 -0.11 0.00 0.00 43.42 42.98 2cqe n LEU 494 CO 0.17 -1.66 0.74 0.00 -1.51 0.00 0.00 177.39 175.13 2cqe h ALA 495 N 1.99 0.55 -0.95 -1.18 0.00 -1.61 -2.96 119.26 115.09 2cqe h ALA 495 Ca 0.51 -0.30 0.24 0.00 0.00 0.00 0.00 54.91 55.36 2cqe h ALA 495 Cb 0.85 -0.15 -0.13 0.00 0.00 0.00 0.00 17.79 18.37 2cqe h ALA 495 CO -1.00 0.40 0.49 0.22 0.00 0.00 0.00 179.25 179.36 2cqe h ASP 496 N 0.58 0.49 0.21 0.00 1.82 0.17 0.33 116.42 120.01 2cqe h ASP 496 Ca 0.11 0.15 -0.01 0.00 -0.39 0.00 0.00 57.03 56.89 2cqe h ASP 496 Cb 0.58 0.09 0.00 0.00 0.68 0.00 0.00 39.33 40.69 2cqe h ASP 496 CO 0.03 0.03 -0.10 -0.78 -1.61 0.00 0.00 179.24 176.81 2cqe h ASP 497 N 0.47 -0.24 -0.09 2.28 3.58 -1.22 0.30 116.42 121.50 2cqe h ASP 497 Ca 0.61 0.01 0.02 0.00 0.42 0.00 0.00 57.03 58.10 2cqe h ASP 497 Cb 1.20 0.06 -0.05 0.00 1.72 0.00 0.00 39.33 42.26 2cqe h ASP 497 CO -0.52 -0.09 -0.44 0.00 -2.88 0.00 0.00 179.24 175.31 2cqe h ALA 498 N -1.71 -0.82 -0.03 -0.78 0.00 -1.32 -2.62 119.26 111.98 2cqe h ALA 498 Ca -0.03 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.84 2cqe h ALA 498 Cb 0.22 0.92 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 2cqe h ALA 498 CO 0.05 -0.98 -0.02 0.93 0.00 0.00 0.00 179.25 179.23 2cqe h GLU 499 N -0.49 -0.02 -6.66 0.00 5.08 -0.50 -3.45 114.58 108.54 2cqe h GLU 499 Ca 0.02 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 57.84 2cqe h GLU 499 Cb 0.56 0.01 -0.30 0.00 0.50 0.00 0.00 28.75 29.51 2cqe h GLU 499 CO -0.35 -0.02 -0.79 0.00 -1.00 0.00 0.00 179.01 176.85 2cqe n ALA 500 N -2.17 -1.21 0.00 3.43 0.00 0.11 -4.63 120.51 116.03 2cqe n ALA 500 Ca -0.06 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.16 2cqe n ALA 500 Cb 0.06 -1.86 0.00 0.00 0.00 0.00 0.00 19.45 17.66 2cqe n ALA 500 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2cqe n GLY 501 N -1.27 0.00 2.79 0.00 0.00 -1.26 -5.08 105.19 100.37 2cqe n GLY 501 Ca 0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.76 2cqe n GLY 501 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cqe n ALA 502 N 0.00 3.43 -3.82 4.61 0.00 -1.26 -4.99 120.51 118.47 2cqe n ALA 502 Ca 0.00 -4.41 -0.28 0.00 0.00 0.00 0.00 53.44 48.75 2cqe n ALA 502 Cb 0.00 -0.99 -0.12 0.00 0.00 0.00 0.00 19.45 18.34 2cqe n ALA 502 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2cqe s GLU 503 N -1.44 2.10 -0.70 0.00 2.02 -1.26 -5.04 118.70 114.38 2cqe s GLU 503 Ca 0.27 -2.99 -0.15 0.00 0.02 0.00 0.00 54.97 52.13 2cqe s GLU 503 Cb -0.01 -3.06 0.18 0.00 0.10 0.00 0.00 34.13 31.34 2cqe s GLU 503 CO -0.16 -1.27 0.65 0.16 0.02 0.00 0.00 175.26 174.67 2cqe s ASP 504 N -0.96 6.51 -0.27 -0.19 -4.77 -1.26 -5.02 116.67 110.70 2cqe s ASP 504 Ca 0.24 -2.29 -0.39 0.00 -3.30 0.00 0.00 52.55 46.81 2cqe s ASP 504 Cb -0.08 -2.21 -0.15 0.00 -1.09 0.00 0.00 42.92 39.39 2cqe s ASP 504 CO -0.14 -0.70 1.81 1.21 0.70 0.00 0.00 175.17 178.05 2cqe n GLU 505 N 4.54 1.25 -2.54 2.11 0.00 -1.26 -4.87 120.64 119.86 2cqe n GLU 505 Ca 0.01 0.45 -0.43 0.00 0.00 0.00 0.00 57.16 57.19 2cqe n GLU 505 Cb 0.44 -2.19 -0.02 0.00 0.00 0.00 0.00 31.44 29.67 2cqe n GLU 505 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.13 177.34 2cqe s LYS 506 N 3.89 3.97 -0.35 5.31 2.47 -1.26 -4.94 119.74 128.84 2cqe s LYS 506 Ca 0.99 1.10 -0.32 0.00 -1.56 0.00 0.00 55.97 56.17 2cqe s LYS 506 Cb -1.02 -3.81 -0.10 0.00 -1.46 0.00 0.00 37.83 31.44 2cqe s LYS 506 CO 0.63 -1.04 2.24 -1.91 0.16 0.00 0.00 175.35 175.42 2cqe n GLU 507 N 7.16 1.28 -2.59 4.03 2.13 -1.26 -4.86 120.64 126.52 2cqe n GLU 507 Ca 0.13 0.32 -0.41 0.00 0.66 0.00 0.00 57.16 57.86 2cqe n GLU 507 Cb 0.47 -2.72 -0.03 0.00 0.27 0.00 0.00 31.44 29.43 2cqe n GLU 507 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 2cqe s VAL 508 N 8.05 3.93 0.46 6.31 1.01 -1.26 -4.98 120.40 133.92 2cqe s VAL 508 Ca 1.07 -0.51 0.08 0.00 0.00 0.00 0.00 61.98 62.63 2cqe s VAL 508 Cb -0.68 -5.00 0.02 0.00 0.00 0.00 0.00 36.38 30.73 2cqe s VAL 508 CO 0.43 -1.88 0.56 -0.70 0.00 0.00 0.00 175.10 173.51 2cqe s GLU 509 N 5.00 2.60 0.13 2.72 2.12 -1.26 -5.13 118.70 124.88 2cqe s GLU 509 Ca 0.42 -1.46 0.08 0.00 0.36 0.00 0.00 54.97 54.37 2cqe s GLU 509 Cb -0.03 -2.59 -0.04 0.00 0.26 0.00 0.00 34.13 31.73 2cqe s GLU 509 CO -0.03 -0.40 -0.12 -1.21 -0.54 0.00 0.00 175.26 172.96 2cqe s GLU 510 N -4.36 2.01 0.39 4.30 2.02 -1.26 -5.13 118.70 116.67 2cqe s GLU 510 Ca 0.53 -1.15 -0.06 0.00 0.02 0.00 0.00 54.97 54.32 2cqe s GLU 510 Cb -0.07 -2.20 0.09 0.00 0.10 0.00 0.00 34.13 32.05 2cqe s GLU 510 CO 0.32 0.48 0.20 1.28 0.02 0.00 0.00 175.26 177.56 2cqe n LEU 511 N 0.50 0.00 -2.08 1.80 4.32 -1.26 -4.67 117.00 115.61 2cqe n LEU 511 Ca -0.13 -0.20 -0.08 0.00 -0.02 0.00 0.00 56.01 55.58 2cqe n LEU 511 Cb 0.53 -0.28 -0.11 0.00 -1.62 0.00 0.00 43.42 41.94 2cqe n LEU 511 CO 0.33 -1.76 1.27 0.29 -1.22 0.00 0.00 177.39 176.30 2cqe n LYS 512 N -1.98 1.40 -1.56 3.23 5.02 -1.26 -4.92 118.16 118.10 2cqe n LYS 512 Ca 0.03 -0.66 -0.53 0.00 -2.02 0.00 0.00 58.31 55.13 2cqe n LYS 512 Cb 0.14 -1.80 -0.06 0.00 -0.02 0.00 0.00 35.03 33.29 2cqe n LYS 512 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 2cqe n LYS 513 N 2.53 0.81 -3.57 1.97 2.85 -1.26 -4.95 118.16 116.55 2cqe n LYS 513 Ca 0.29 0.29 -0.07 0.00 -1.05 0.00 0.00 58.31 57.77 2cqe n LYS 513 Cb 0.65 -1.83 -0.02 0.00 -0.65 0.00 0.00 35.03 33.18 2cqe n LYS 513 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 177.40 176.23 2cqe s SER 514 N 0.16 -0.32 -0.23 -5.58 0.01 -1.26 -5.15 113.70 101.33 2cqe s SER 514 Ca 0.82 -0.10 -0.00 0.00 1.31 0.00 0.00 55.95 57.97 2cqe s SER 514 Cb -1.00 0.41 0.03 0.00 0.21 0.00 0.00 66.02 65.67 2cqe s SER 514 CO 0.51 -0.70 -0.10 -0.83 0.41 0.00 0.00 173.24 172.54 2cqe s GLY 515 N -2.61 1.58 0.61 3.44 0.00 -1.26 -5.11 107.32 103.97 2cqe s GLY 515 Ca 0.07 -1.44 -0.17 0.00 0.00 0.00 0.00 44.72 43.19 2cqe s GLY 515 CO -0.06 0.47 1.12 2.56 0.00 0.00 0.00 173.10 177.19 2cqe s PRO 516 N 1.29 3.02 0.24 2.90 0.04 -1.26 -5.07 135.00 136.16 2cqe s PRO 516 Ca 0.00 1.47 0.10 0.00 0.04 0.00 0.00 61.00 62.62 2cqe s PRO 516 Cb -0.16 -1.97 -0.05 0.00 0.04 0.00 0.00 34.50 32.36 2cqe s PRO 516 CO -0.06 -1.09 -0.18 0.45 0.04 0.00 0.00 177.00 176.15 2cqe s SER 517 N -2.27 3.15 0.46 6.66 0.15 -1.26 -5.16 113.70 115.43 2cqe s SER 517 Ca 0.69 -0.99 0.06 0.00 0.70 0.00 0.00 55.95 56.41 2cqe s SER 517 Cb -0.22 -0.23 -0.01 0.00 -1.71 0.00 0.00 66.02 63.85 2cqe s SER 517 CO 0.36 -0.03 0.28 -0.44 1.20 0.00 0.00 173.24 174.61 2cqe s SER 518 N -3.28 4.61 0.00 5.45 0.01 -1.26 -5.36 113.70 113.86 2cqe s SER 518 Ca 0.25 -1.10 0.00 0.00 1.31 0.00 0.00 55.95 56.41 2cqe s SER 518 Cb -0.04 -0.15 0.00 0.00 0.21 0.00 0.00 66.02 66.04 2cqe s SER 518 CO 0.11 -0.77 0.09 0.61 0.41 0.00 0.00 173.24 173.69