#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 6.61 0.09 1.61 1.04 -1.26 -5.07 113.70 116.72 2cqe s SER 423 Ca 0.00 0.73 -0.23 0.00 0.48 0.00 0.00 55.95 56.93 2cqe s SER 423 Cb 0.00 -2.20 -0.07 0.00 0.10 0.00 0.00 66.02 63.85 2cqe s SER 423 CO 0.00 0.24 0.70 -0.55 0.98 0.00 0.00 173.24 174.60 2cqe s SER 424 N -0.43 7.21 -0.92 7.02 0.15 -1.26 -5.02 113.70 120.45 2cqe s SER 424 Ca 0.20 1.43 -0.11 0.00 0.70 0.00 0.00 55.95 58.18 2cqe s SER 424 Cb -0.15 -2.44 0.24 0.00 -1.71 0.00 0.00 66.02 61.96 2cqe s SER 424 CO 0.09 0.16 0.87 -0.83 1.20 0.00 0.00 173.24 174.73 2cqe s GLY 425 N -0.73 2.88 -0.09 9.45 0.00 -1.26 -4.90 107.32 112.67 2cqe s GLY 425 Ca 0.34 -3.54 -0.02 0.00 0.00 0.00 0.00 44.72 41.50 2cqe s GLY 425 CO 0.22 1.27 2.46 -1.14 0.00 0.00 0.00 173.10 175.92 2cqe n SER 426 N 3.38 5.61 -4.73 1.64 3.41 -1.26 -4.87 113.62 116.80 2cqe n SER 426 Ca 0.17 -2.60 -0.31 0.00 -0.26 0.00 0.00 58.87 55.87 2cqe n SER 426 Cb 0.43 -1.20 -0.07 0.00 -0.26 0.00 0.00 64.21 63.11 2cqe n SER 426 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2cqe s SER 427 N 1.55 5.28 0.00 4.04 0.01 -1.26 -4.99 113.70 118.33 2cqe s SER 427 Ca 0.26 -0.07 0.00 0.00 1.31 0.00 0.00 55.95 57.45 2cqe s SER 427 Cb 0.15 -1.36 0.00 0.00 0.21 0.00 0.00 66.02 65.03 2cqe s SER 427 CO -0.02 0.19 0.00 0.61 0.41 0.00 0.00 173.24 174.43 2cqe n GLY 428 N 0.65 -1.22 3.50 3.44 0.00 -1.26 -5.11 105.19 105.19 2cqe n GLY 428 Ca -0.10 0.39 -0.42 0.00 0.00 0.00 0.00 46.02 45.88 2cqe n GLY 428 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2cqe s GLU 429 N 0.00 3.19 0.08 1.61 2.12 -1.26 -5.02 118.70 119.42 2cqe s GLU 429 Ca 0.00 -0.50 0.01 0.00 0.36 0.00 0.00 54.97 54.84 2cqe s GLU 429 Cb 0.00 -4.18 -0.04 0.00 0.26 0.00 0.00 34.13 30.17 2cqe s GLU 429 CO 0.00 -1.89 0.19 -0.51 -0.54 0.00 0.00 175.26 172.51 2cqe s LEU 430 N 4.70 4.24 0.00 2.70 2.01 -1.26 -5.09 118.68 125.98 2cqe s LEU 430 Ca 0.29 0.20 0.00 0.00 0.01 0.00 0.00 54.13 54.62 2cqe s LEU 430 Cb -0.13 -2.85 0.00 0.00 0.01 0.00 0.00 46.19 43.22 2cqe s LEU 430 CO 0.14 0.15 0.00 -0.81 1.01 0.00 0.00 176.35 176.84 2cqe n PRO 431 N 0.20 0.00 -1.94 1.29 -0.04 -1.26 -4.95 135.00 128.30 2cqe n PRO 431 Ca -0.06 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.11 2cqe n PRO 431 Cb 0.52 -0.22 0.16 0.00 -0.04 0.00 0.00 33.50 33.92 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 0.00 1.00 0.03 0.54 -0.14 -1.26 -5.01 119.74 114.90 2cqe s LYS 432 Ca 0.00 -0.29 0.20 0.00 -1.36 0.00 0.00 55.97 54.52 2cqe s LYS 432 Cb 0.00 -1.88 -0.19 0.00 -1.68 0.00 0.00 37.83 34.08 2cqe s LYS 432 CO 0.00 -2.18 0.65 1.63 -0.76 0.00 0.00 175.35 174.69 2cqe n LYS 433 N -3.63 0.64 -3.68 1.68 4.76 0.09 -4.99 118.16 113.03 2cqe n LYS 433 Ca 0.13 0.02 -0.25 0.00 -2.87 0.00 0.00 58.31 55.35 2cqe n LYS 433 Cb 0.60 -1.67 0.06 0.00 -1.84 0.00 0.00 35.03 32.18 2cqe n LYS 433 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2cqe n ARG 434 N -2.60 -6.85 -4.06 1.97 5.12 -1.26 -4.99 116.66 103.99 2cqe n ARG 434 Ca -0.09 0.75 -0.10 0.00 -1.93 0.00 0.00 57.85 56.48 2cqe n ARG 434 Cb 0.72 -5.71 -0.11 0.00 -1.16 0.00 0.00 32.46 26.21 2cqe n ARG 434 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 2cqe s GLU 435 N -6.27 0.53 -0.60 5.56 2.02 -1.26 -4.93 118.70 113.75 2cqe s GLU 435 Ca 0.49 -0.93 -0.28 0.00 0.02 0.00 0.00 54.97 54.28 2cqe s GLU 435 Cb -0.23 -0.01 0.03 0.00 0.10 0.00 0.00 34.13 34.01 2cqe s GLU 435 CO 0.77 -0.04 1.23 -1.17 0.02 0.00 0.00 175.26 176.08 2cqe s LEU 436 N -2.14 3.40 -0.30 1.80 2.96 -1.26 -1.43 118.68 121.72 2cqe s LEU 436 Ca -0.04 0.05 -0.44 0.00 -0.22 0.00 0.00 54.13 53.48 2cqe s LEU 436 Cb -0.03 -3.06 -0.20 0.00 0.50 0.00 0.00 46.19 43.40 2cqe s LEU 436 CO -0.04 -1.57 1.41 0.00 -1.32 0.00 0.00 176.35 174.84 2cqe n LYS 438 N 3.14 0.32 -0.10 0.00 4.76 -1.26 -3.17 118.16 121.86 2cqe n LYS 438 Ca 0.27 0.08 -0.20 0.00 -2.87 0.00 0.00 58.31 55.59 2cqe n LYS 438 Cb 0.00 -1.50 -0.07 0.00 -1.84 0.00 0.00 35.03 31.63 2cqe n LYS 438 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 2cqe n PHE 439 N -1.16 0.00 -0.37 2.13 3.72 -1.26 -4.55 117.46 115.97 2cqe n PHE 439 Ca 0.09 0.00 0.29 0.00 -0.05 0.00 0.00 57.45 57.78 2cqe n PHE 439 Cb 0.09 -0.68 0.55 0.00 -0.94 0.00 0.00 39.48 38.50 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 -0.74 0.71 -1.34 1.38 3.20 -1.80 0.25 116.97 118.63 2cqe h TYR 440 Ca -0.45 0.03 0.46 0.00 3.14 0.00 0.00 58.73 61.91 2cqe h TYR 440 Cb 1.35 -0.19 -0.14 0.00 1.54 0.00 0.00 36.73 39.30 2cqe h TYR 440 CO -0.10 -0.14 0.85 0.82 -1.64 0.00 0.00 178.16 177.95 2cqe h ILE 441 N 0.24 0.06 0.00 1.81 2.04 -1.79 0.71 117.51 120.58 2cqe h ILE 441 Ca 0.74 -0.02 -0.36 0.00 1.00 0.00 0.00 64.86 66.23 2cqe h ILE 441 Cb 1.99 0.01 -0.07 0.00 -0.74 0.00 0.00 36.82 38.02 2cqe h ILE 441 CO -0.47 0.01 -2.35 0.35 0.00 0.00 0.00 178.15 175.69 2cqe n THR 442 N -4.74 1.35 0.00 -0.27 -2.24 0.81 -5.02 114.28 104.18 2cqe n THR 442 Ca 0.39 -0.67 0.00 0.00 -2.27 0.00 0.00 64.05 61.50 2cqe n THR 442 Cb 1.49 -0.95 0.00 0.00 -2.10 0.00 0.00 70.33 68.77 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 2.09 1.49 3.39 3.38 0.00 0.24 -5.05 105.19 110.73 2cqe n GLY 443 Ca -0.37 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.20 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 3.79 -0.24 1.61 5.36 -1.24 -4.90 117.98 120.36 2cqe s PHE 444 Ca 0.00 -2.22 0.01 0.00 -0.96 0.00 0.00 56.93 53.76 2cqe s PHE 444 Cb 0.00 -4.05 0.04 0.00 -0.34 0.00 0.00 43.02 38.67 2cqe s PHE 444 CO 0.00 -1.17 -0.11 0.00 -1.46 0.00 0.00 175.22 172.47 2cqe n ALA 446 N 4.55 -0.07 -2.60 0.00 0.00 -1.26 -4.03 120.51 117.10 2cqe n ALA 446 Ca -0.16 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.85 2cqe n ALA 446 Cb 0.45 0.35 -0.02 0.00 0.00 0.00 0.00 19.45 20.23 2cqe n ALA 446 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2cqe s ARG 447 N -2.49 3.68 0.00 0.00 0.52 -1.26 -4.93 118.95 114.48 2cqe s ARG 447 Ca 0.00 0.50 0.00 0.00 -0.52 0.00 0.00 55.73 55.71 2cqe s ARG 447 Cb 0.00 -3.93 0.00 0.00 0.52 0.00 0.00 34.95 31.54 2cqe s ARG 447 CO 0.00 -1.43 0.00 0.00 0.02 0.00 0.00 175.30 173.89 2cqe n ALA 448 N 7.93 0.00 1.15 2.13 0.00 -1.26 -3.17 120.51 127.30 2cqe n ALA 448 Ca 0.11 -0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.67 2cqe n ALA 448 Cb 0.49 0.00 0.61 0.00 0.00 0.00 0.00 19.45 20.55 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 -1.45 0.35 -0.49 0.00 2.13 -1.26 -2.64 120.64 117.28 2cqe n GLU 449 Ca 0.00 0.06 0.08 0.00 0.66 0.00 0.00 57.16 57.96 2cqe n GLU 449 Cb 0.00 -1.50 0.27 0.00 0.27 0.00 0.00 31.44 30.48 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 -1.28 3.94 -4.61 4.31 4.13 -1.26 -4.97 115.26 115.52 2cqe n ASN 450 Ca 0.12 -3.04 -0.43 0.00 1.68 0.00 0.00 54.58 52.90 2cqe n ASN 450 Cb 0.19 -0.56 -0.02 0.00 -1.54 0.00 0.00 39.78 37.85 2cqe n ASN 450 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2cqe n PRO 452 N 7.52 0.49 -2.65 0.00 -0.04 -1.26 -4.74 135.00 134.31 2cqe n PRO 452 Ca 0.11 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.43 2cqe n PRO 452 Cb 0.48 -1.43 0.02 0.00 -0.04 0.00 0.00 33.50 32.53 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 -0.93 -1.62 -3.94 0.54 4.02 -1.26 -0.73 117.16 113.25 2cqe n TYR 453 Ca 0.10 -1.40 -0.36 0.00 -0.01 0.00 0.00 57.90 56.22 2cqe n TYR 453 Cb 0.05 -0.31 -0.06 0.00 -0.02 0.00 0.00 39.34 38.99 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 -3.51 3.39 0.00 -0.72 -1.94 -0.51 -4.92 119.30 111.09 2cqe s MET 454 Ca 0.27 -0.18 0.00 0.00 -1.71 0.00 0.00 55.69 54.08 2cqe s MET 454 Cb -0.02 -3.14 0.00 0.00 2.01 0.00 0.00 34.83 33.68 2cqe s MET 454 CO 0.17 0.76 0.00 0.72 -0.01 0.00 0.00 175.02 176.67 2cqe n HIS 455 N 1.90 0.00 0.00 -0.03 8.25 -1.26 -3.63 115.22 120.45 2cqe n HIS 455 Ca -0.19 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.26 2cqe n HIS 455 Cb 0.55 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.65 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 -0.04 -0.65 -1.41 0.00 -1.96 -3.35 103.07 95.67 2cqe h GLY 456 Ca 0.00 0.01 0.21 0.00 0.00 0.00 0.00 47.33 47.55 2cqe h GLY 456 CO 0.00 -0.01 0.11 1.22 0.00 0.00 0.00 176.54 177.86 2cqe n ASP 457 N -2.77 0.01 -4.62 0.19 8.00 -1.26 -2.95 116.55 113.14 2cqe n ASP 457 Ca -0.00 1.10 -0.57 0.00 0.71 0.00 0.00 54.79 56.02 2cqe n ASP 457 Cb 0.01 -0.44 -0.07 0.00 -0.02 0.00 0.00 41.12 40.60 2cqe n ASP 457 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 2cqe n PHE 458 N -4.75 1.49 -2.25 1.24 7.35 -1.26 -4.68 117.46 114.60 2cqe n PHE 458 Ca 0.18 0.77 -0.39 0.00 -0.76 0.00 0.00 57.45 57.26 2cqe n PHE 458 Cb 0.60 -2.30 -0.02 0.00 0.35 0.00 0.00 39.48 38.11 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 1.47 4.07 0.42 -7.13 0.04 -1.26 -2.62 135.00 129.98 2cqe s PRO 459 Ca 0.92 1.90 -0.24 0.00 0.04 0.00 0.00 61.00 63.62 2cqe s PRO 459 Cb -1.12 -2.72 -0.08 0.00 0.04 0.00 0.00 34.50 30.62 2cqe s PRO 459 CO 0.58 -0.33 1.16 0.00 0.04 0.00 0.00 177.00 178.45 2cqe h LYS 461 N 2.43 -0.09 -0.54 0.00 3.64 -1.94 -3.33 116.57 116.73 2cqe h LYS 461 Ca -0.49 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 58.96 2cqe h LYS 461 Cb 1.24 0.02 -0.09 0.00 -0.41 0.00 0.00 32.23 32.98 2cqe h LYS 461 CO 0.62 -0.06 -0.55 -0.07 -2.27 0.00 0.00 179.45 177.12 2cqe h LEU 462 N -0.53 -1.86 -1.01 5.20 3.38 -1.94 0.70 115.31 119.25 2cqe h LEU 462 Ca -0.01 0.26 0.29 0.00 0.09 0.00 0.00 57.88 58.51 2cqe h LEU 462 Cb 0.07 0.79 -0.04 0.00 0.09 0.00 0.00 40.66 41.57 2cqe h LEU 462 CO 0.02 -0.37 1.20 0.00 0.09 0.00 0.00 178.44 179.38 2cqe n TYR 463 N -5.36 0.00 -0.12 1.13 9.36 -1.24 -0.54 117.16 120.39 2cqe n TYR 463 Ca -0.02 0.00 -0.22 0.00 3.32 0.00 0.00 57.90 60.99 2cqe n TYR 463 Cb 0.33 -0.25 -0.08 0.00 -0.63 0.00 0.00 39.34 38.71 2cqe n TYR 463 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 2cqe n HIS 464 N -3.20 0.11 -0.39 2.98 8.25 0.21 -1.26 115.22 121.92 2cqe n HIS 464 Ca 0.23 0.05 0.32 0.00 -0.26 0.00 0.00 57.72 58.06 2cqe n HIS 464 Cb 1.51 -0.84 0.52 0.00 1.12 0.00 0.00 29.99 32.30 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 -4.35 -0.13 0.00 1.59 -2.24 0.81 -2.86 114.28 107.10 2cqe n THR 465 Ca -0.38 1.25 0.00 0.00 -2.27 0.00 0.00 64.05 62.65 2cqe n THR 465 Cb 0.73 -2.06 0.00 0.00 -2.10 0.00 0.00 70.33 66.90 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 -3.94 0.00 0.00 4.28 -2.24 -0.95 -5.07 114.28 106.36 2cqe n THR 466 Ca 0.30 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.08 2cqe n THR 466 Cb 1.24 -0.20 0.00 0.00 -2.10 0.00 0.00 70.33 69.27 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 2.13 4.18 3.58 3.38 0.00 -0.39 -5.08 105.19 113.00 2cqe n GLY 467 Ca 0.00 -0.64 -0.28 0.00 0.00 0.00 0.00 46.02 45.09 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 0.00 4.35 -0.08 1.61 3.84 -1.19 -4.55 114.94 118.93 2cqe s ASN 468 Ca 0.00 -0.47 -0.04 0.00 0.21 0.00 0.00 52.86 52.56 2cqe s ASN 468 Cb 0.00 -0.80 -0.04 0.00 -0.55 0.00 0.00 41.25 39.87 2cqe s ASN 468 CO 0.00 0.14 0.11 0.00 -2.79 0.00 0.00 177.10 174.56 2cqe h ILE 470 N 3.73 1.03 -0.48 0.00 6.09 -2.00 -3.32 117.51 122.58 2cqe h ILE 470 Ca -0.52 -2.47 0.09 0.00 -1.37 0.00 0.00 64.86 60.59 2cqe h ILE 470 Cb 1.21 2.51 -0.09 0.00 0.47 0.00 0.00 36.82 40.92 2cqe h ILE 470 CO 0.59 0.59 -0.09 0.78 -3.07 0.00 0.00 178.15 176.96 2cqe h ASN 471 N 0.00 -0.38 -3.24 2.19 4.21 -1.98 -3.48 115.58 112.90 2cqe h ASN 471 Ca -0.01 0.13 0.00 0.00 1.21 0.00 0.00 56.30 57.63 2cqe h ASN 471 Cb 1.47 0.27 0.00 0.00 -1.12 0.00 0.00 38.32 38.94 2cqe h ASN 471 CO 0.08 -0.13 0.00 0.61 -1.29 0.00 0.00 177.43 176.69 2cqe n GLY 472 N -1.33 0.64 0.25 2.83 0.00 -1.25 -4.81 105.19 101.51 2cqe n GLY 472 Ca 0.04 -2.11 -0.05 0.00 0.00 0.00 0.00 46.02 43.90 2cqe n GLY 472 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2cqe h ASP 473 N 0.00 0.61 -2.22 1.61 3.32 -1.93 -3.21 116.42 114.59 2cqe h ASP 473 Ca 0.00 -0.21 -0.80 0.00 0.02 0.00 0.00 57.03 56.04 2cqe h ASP 473 Cb 0.00 -0.17 -0.27 0.00 0.22 0.00 0.00 39.33 39.11 2cqe h ASP 473 CO 0.00 0.83 1.00 -0.90 -1.72 0.00 0.00 179.24 178.45 2cqe n ASP 474 N -4.12 7.31 -4.79 6.45 5.68 -1.26 -5.02 116.55 120.80 2cqe n ASP 474 Ca -0.00 -3.71 -0.35 0.00 -0.50 0.00 0.00 54.79 50.23 2cqe n ASP 474 Cb 0.42 -1.14 -0.03 0.00 -1.14 0.00 0.00 41.12 39.22 2cqe n ASP 474 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2cqe n MET 476 N -0.78 0.83 -4.31 0.00 0.00 -1.26 -4.75 117.12 106.84 2cqe n MET 476 Ca 0.08 0.00 -0.21 0.00 0.00 0.00 0.00 57.70 57.57 2cqe n MET 476 Cb 0.52 -1.17 -0.11 0.00 0.00 0.00 0.00 33.22 32.45 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 -2.00 1.75 0.26 3.17 0.08 -1.26 -4.79 117.98 115.19 2cqe s PHE 477 Ca 0.14 -0.48 -0.28 0.00 0.12 0.00 0.00 56.93 56.42 2cqe s PHE 477 Cb 0.06 -0.88 -0.09 0.00 -0.57 0.00 0.00 43.02 41.54 2cqe s PHE 477 CO 0.10 0.29 0.93 -1.12 -0.10 0.00 0.00 175.22 175.32 2cqe s SER 478 N -2.57 7.53 -0.28 1.36 0.01 -1.08 -4.81 113.70 113.85 2cqe s SER 478 Ca 0.14 1.89 0.10 0.00 1.31 0.00 0.00 55.95 59.39 2cqe s SER 478 Cb -0.06 -2.59 0.55 0.00 0.21 0.00 0.00 66.02 64.13 2cqe s SER 478 CO 0.06 0.09 1.53 1.41 0.41 0.00 0.00 173.24 176.73 2cqe n HIS 479 N 1.19 1.36 -1.61 2.43 8.25 -1.26 -0.20 115.22 125.38 2cqe n HIS 479 Ca -0.01 -1.43 -0.34 0.00 -0.26 0.00 0.00 57.72 55.68 2cqe n HIS 479 Cb 0.48 -0.51 0.07 0.00 1.12 0.00 0.00 29.99 31.15 2cqe n HIS 479 CO 0.00 0.00 0.00 0.16 0.64 0.00 0.00 176.34 177.14 2cqe s ASP 480 N -2.16 4.60 -0.35 0.41 -4.77 -1.26 -4.92 116.67 108.22 2cqe s ASP 480 Ca 0.46 2.26 -0.28 0.00 -3.30 0.00 0.00 52.55 51.68 2cqe s ASP 480 Cb 0.40 -2.58 -0.01 0.00 -1.09 0.00 0.00 42.92 39.64 2cqe s ASP 480 CO 0.04 -1.98 1.71 -2.16 0.70 0.00 0.00 175.17 173.48 2cqe s PRO 481 N -3.87 3.38 0.61 2.11 0.04 -1.26 -4.91 135.00 131.10 2cqe s PRO 481 Ca 0.73 1.29 -0.18 0.00 0.04 0.00 0.00 61.00 62.88 2cqe s PRO 481 Cb -0.27 -4.16 -0.15 0.00 0.04 0.00 0.00 34.50 29.96 2cqe s PRO 481 CO 0.42 -1.80 -0.28 1.28 0.04 0.00 0.00 177.00 176.66 2cqe n LEU 482 N 9.98 -4.17 -4.12 -3.56 4.77 -1.26 -5.00 117.00 113.64 2cqe n LEU 482 Ca 0.21 0.54 -0.10 0.00 -0.03 0.00 0.00 56.01 56.63 2cqe n LEU 482 Cb 0.47 -0.82 -0.10 0.00 -2.33 0.00 0.00 43.42 40.64 2cqe n LEU 482 CO 0.69 -5.02 -0.38 0.42 -1.33 0.00 0.00 177.39 171.77 2cqe s THR 483 N -1.97 0.49 0.53 -5.08 -4.23 -1.26 -4.91 115.64 99.21 2cqe s THR 483 Ca 0.52 -1.76 0.48 0.00 -1.18 0.00 0.00 61.69 59.76 2cqe s THR 483 Cb -0.42 -1.45 0.71 0.00 1.34 0.00 0.00 72.50 72.68 2cqe s THR 483 CO 0.69 -0.85 1.49 -1.84 -0.54 0.00 0.00 174.62 173.57 2cqe n GLU 484 N 0.24 -0.00 0.00 3.99 0.28 -1.26 0.35 120.64 124.24 2cqe n GLU 484 Ca -0.14 1.03 0.00 0.00 -0.16 0.00 0.00 57.16 57.89 2cqe n GLU 484 Cb 0.60 -2.39 0.00 0.00 1.43 0.00 0.00 31.44 31.08 2cqe n GLU 484 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 2cqe n GLU 485 N -3.83 0.00 -0.26 3.44 -0.58 -1.26 -3.99 120.64 114.16 2cqe n GLU 485 Ca 0.43 0.25 0.05 0.00 -0.42 0.00 0.00 57.16 57.47 2cqe n GLU 485 Cb 1.93 -0.73 0.16 0.00 -0.57 0.00 0.00 31.44 32.23 2cqe n GLU 485 CO 0.00 0.00 0.00 1.79 -0.48 0.00 0.00 177.13 178.44 2cqe h THR 486 N 0.00 0.33 -0.96 2.62 1.35 -1.75 0.22 112.91 114.72 2cqe h THR 486 Ca 0.00 -0.04 0.25 0.00 -0.55 0.00 0.00 66.41 66.08 2cqe h THR 486 Cb 0.00 0.22 -0.18 0.00 -1.73 0.00 0.00 68.15 66.46 2cqe h THR 486 CO 0.00 0.02 -0.02 -1.14 -0.25 0.00 0.00 175.52 174.13 2cqe n ARG 487 N -5.35 -0.08 -0.32 4.72 0.00 0.16 0.17 116.66 115.95 2cqe n ARG 487 Ca 0.14 1.44 0.01 0.00 -0.00 0.00 0.00 57.85 59.44 2cqe n ARG 487 Cb 0.48 -2.27 0.15 0.00 0.00 0.00 0.00 32.46 30.82 2cqe n ARG 487 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 2cqe h GLU 488 N 0.00 0.97 -0.15 -0.14 4.39 -1.07 -2.96 114.58 115.62 2cqe h GLU 488 Ca 0.56 -0.06 0.02 0.00 0.34 0.00 0.00 59.36 60.23 2cqe h GLU 488 Cb 1.13 -0.22 -0.05 0.00 -0.10 0.00 0.00 28.75 29.51 2cqe h GLU 488 CO -0.91 0.64 -0.38 -0.07 -1.16 0.00 0.00 179.01 177.14 2cqe h LEU 489 N 1.00 -1.22 -0.99 1.33 3.38 0.16 -2.39 115.31 116.58 2cqe h LEU 489 Ca 0.39 0.15 0.09 0.00 0.09 0.00 0.00 57.88 58.60 2cqe h LEU 489 Cb 0.19 0.48 -0.12 0.00 0.09 0.00 0.00 40.66 41.30 2cqe h LEU 489 CO -0.18 -0.31 -0.58 0.18 0.09 0.00 0.00 178.44 177.63 2cqe n LEU 490 N -4.53 -1.05 -0.34 1.67 4.77 -1.12 0.37 117.00 116.77 2cqe n LEU 490 Ca -0.04 1.77 0.16 0.00 -0.03 0.00 0.00 56.01 57.87 2cqe n LEU 490 Cb 0.25 -0.23 0.32 0.00 -2.33 0.00 0.00 43.42 41.43 2cqe n LEU 490 CO 0.04 -1.44 0.83 0.44 -1.33 0.00 0.00 177.39 175.93 2cqe h ASP 491 N 0.00 -0.41 -0.02 -1.43 3.32 -1.44 0.26 116.42 116.69 2cqe h ASP 491 Ca 0.16 0.28 -0.02 0.00 0.02 0.00 0.00 57.03 57.47 2cqe h ASP 491 Cb 0.41 0.47 0.00 0.00 0.22 0.00 0.00 39.33 40.43 2cqe h ASP 491 CO -0.93 -0.37 -0.06 0.50 -1.72 0.00 0.00 179.24 176.66 2cqe h LYS 492 N 0.01 0.07 -0.20 3.56 3.64 0.22 -3.17 116.57 120.70 2cqe h LYS 492 Ca 0.62 -0.05 0.04 0.00 -1.27 0.00 0.00 60.65 59.99 2cqe h LYS 492 Cb 1.33 0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 33.09 2cqe h LYS 492 CO -0.91 0.68 -0.52 1.98 -2.27 0.00 0.00 179.45 178.41 2cqe h MET 493 N -0.51 -0.50 -0.80 1.90 4.05 0.26 0.38 114.93 119.71 2cqe h MET 493 Ca -0.00 0.03 0.19 0.00 -0.28 0.00 0.00 59.70 59.64 2cqe h MET 493 Cb 0.68 0.11 -0.14 0.00 -0.80 0.00 0.00 31.60 31.46 2cqe h MET 493 CO 0.01 -0.33 0.04 -0.07 0.23 0.00 0.00 176.91 176.79 2cqe h LEU 494 N -0.52 -0.30 0.29 3.39 -0.00 -1.01 -1.14 115.31 116.02 2cqe h LEU 494 Ca 0.06 0.20 -0.01 0.00 -0.00 0.00 0.00 57.88 58.12 2cqe h LEU 494 Cb 0.65 0.34 0.00 0.00 -0.00 0.00 0.00 40.66 41.66 2cqe h LEU 494 CO -0.47 -0.19 -0.14 0.00 -0.00 0.00 0.00 178.44 177.64 2cqe h ALA 495 N 1.74 -0.76 -0.72 1.53 0.00 -1.17 -3.25 119.26 116.63 2cqe h ALA 495 Ca 0.45 -0.09 0.17 0.00 0.00 0.00 0.00 54.91 55.44 2cqe h ALA 495 Cb 0.82 0.15 -0.14 0.00 0.00 0.00 0.00 17.79 18.63 2cqe h ALA 495 CO -0.68 -0.73 -0.10 -0.25 0.00 0.00 0.00 179.25 177.48 2cqe n ASP 496 N -3.47 -0.19 -0.32 0.00 9.92 0.12 -0.14 116.55 122.47 2cqe n ASP 496 Ca -0.05 1.24 -0.09 0.00 -0.53 0.00 0.00 54.79 55.36 2cqe n ASP 496 Cb 0.15 -0.41 -0.08 0.00 -0.64 0.00 0.00 41.12 40.15 2cqe n ASP 496 CO 0.00 0.00 0.00 0.44 0.13 0.00 0.00 177.20 177.77 2cqe h ASP 497 N 0.00 -1.69 0.16 -2.24 5.19 -1.25 0.23 116.42 116.82 2cqe h ASP 497 Ca 0.39 0.26 -0.01 0.00 -0.62 0.00 0.00 57.03 57.04 2cqe h ASP 497 Cb 0.68 0.75 0.00 0.00 0.18 0.00 0.00 39.33 40.94 2cqe h ASP 497 CO -0.72 -0.19 -0.08 0.00 -3.12 0.00 0.00 179.24 175.14 2cqe h ALA 498 N 0.15 -0.22 -0.84 3.45 0.00 -0.64 -3.28 119.26 117.89 2cqe h ALA 498 Ca 0.12 -0.21 0.31 0.00 0.00 0.00 0.00 54.91 55.13 2cqe h ALA 498 Cb 0.33 0.08 -0.15 0.00 0.00 0.00 0.00 17.79 18.05 2cqe h ALA 498 CO -0.73 -0.26 0.29 -1.91 0.00 0.00 0.00 179.25 176.64 2cqe n GLU 499 N -4.91 -0.06 -1.51 0.00 0.00 0.11 -4.30 120.64 109.99 2cqe n GLU 499 Ca -0.07 1.19 -0.38 0.00 0.00 0.00 0.00 57.16 57.91 2cqe n GLU 499 Cb 0.24 -2.05 -0.15 0.00 0.00 0.00 0.00 31.44 29.48 2cqe n GLU 499 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2cqe n ALA 500 N -2.69 0.43 -0.06 4.31 0.00 0.80 -4.68 120.51 118.61 2cqe n ALA 500 Ca 0.27 -0.42 -0.12 0.00 0.00 0.00 0.00 53.44 53.17 2cqe n ALA 500 Cb 0.92 -2.39 -0.05 0.00 0.00 0.00 0.00 19.45 17.93 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 6.34 -0.20 3.61 0.00 0.00 -1.26 -5.02 105.19 108.66 2cqe n GLY 501 Ca 0.63 -0.07 -0.34 0.00 0.00 0.00 0.00 46.02 46.24 2cqe n GLY 501 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cqe s ALA 502 N -2.24 3.07 0.00 4.61 0.00 -1.26 -4.98 121.76 120.96 2cqe s ALA 502 Ca -0.18 -0.89 0.00 0.00 0.00 0.00 0.00 51.96 50.90 2cqe s ALA 502 Cb 0.06 -1.28 0.00 0.00 0.00 0.00 0.00 23.12 21.90 2cqe s ALA 502 CO 0.24 0.58 0.00 -0.85 0.00 0.00 0.00 175.76 175.74 2cqe n GLU 503 N 2.10 0.64 -2.50 0.00 0.00 -1.26 -5.03 120.64 114.58 2cqe n GLU 503 Ca -0.18 0.00 -0.43 0.00 0.00 0.00 0.00 57.16 56.55 2cqe n GLU 503 Cb 0.53 -0.63 -0.02 0.00 0.00 0.00 0.00 31.44 31.32 2cqe n GLU 503 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 2cqe s ASP 504 N -2.24 6.54 -0.08 -1.84 2.15 -1.26 -5.01 116.67 114.93 2cqe s ASP 504 Ca 0.00 0.65 -0.00 0.00 0.43 0.00 0.00 52.55 53.63 2cqe s ASP 504 Cb 0.00 -2.55 -0.03 0.00 -0.30 0.00 0.00 42.92 40.04 2cqe s ASP 504 CO 0.00 -1.30 -0.06 -1.83 -0.17 0.00 0.00 175.17 171.82 2cqe s GLU 505 N 4.59 2.93 -0.22 4.34 -1.05 -1.26 -5.10 118.70 122.92 2cqe s GLU 505 Ca 0.53 -0.53 -0.03 0.00 -0.15 0.00 0.00 54.97 54.80 2cqe s GLU 505 Cb -0.10 -2.67 0.07 0.00 -0.44 0.00 0.00 34.13 31.00 2cqe s GLU 505 CO 0.31 0.60 0.06 0.15 0.95 0.00 0.00 175.26 177.33 2cqe s LYS 506 N -0.63 0.59 -0.28 -4.83 -0.14 -1.26 -5.11 119.74 108.08 2cqe s LYS 506 Ca 0.10 -0.54 -0.19 0.00 -1.36 0.00 0.00 55.97 53.98 2cqe s LYS 506 Cb -0.12 -1.98 0.11 0.00 -1.68 0.00 0.00 37.83 34.16 2cqe s LYS 506 CO 0.02 -0.75 0.85 -2.00 -0.76 0.00 0.00 175.35 172.71 2cqe s GLU 507 N 1.85 0.59 -0.21 1.68 2.56 -1.26 -5.15 118.70 118.76 2cqe s GLU 507 Ca 0.02 0.89 -0.03 0.00 0.00 0.00 0.00 54.97 55.85 2cqe s GLU 507 Cb -0.17 0.19 -0.01 0.00 2.00 0.00 0.00 34.13 36.14 2cqe s GLU 507 CO -0.14 -0.10 -0.06 0.54 -0.56 0.00 0.00 175.26 174.94 2cqe s VAL 508 N 1.05 3.26 -0.16 3.70 0.11 -1.26 -5.10 120.40 122.00 2cqe s VAL 508 Ca -0.05 -0.53 -0.08 0.00 -2.93 0.00 0.00 61.98 58.38 2cqe s VAL 508 Cb -0.05 -2.47 -0.04 0.00 -1.53 0.00 0.00 36.38 32.29 2cqe s VAL 508 CO -0.12 0.44 0.12 -1.83 -3.33 0.00 0.00 175.10 170.38 2cqe s GLU 509 N 1.42 3.78 0.10 1.54 -1.05 -1.26 -5.10 118.70 118.14 2cqe s GLU 509 Ca 0.05 -0.20 0.01 0.00 -0.15 0.00 0.00 54.97 54.68 2cqe s GLU 509 Cb -0.14 -3.27 -0.04 0.00 -0.44 0.00 0.00 34.13 30.24 2cqe s GLU 509 CO -0.04 0.53 0.25 -1.21 0.95 0.00 0.00 175.26 175.74 2cqe s GLU 510 N -0.31 3.45 -0.50 -4.83 2.02 -1.26 -5.02 118.70 112.24 2cqe s GLU 510 Ca 0.11 -0.48 0.03 0.00 0.02 0.00 0.00 54.97 54.64 2cqe s GLU 510 Cb -0.12 -3.00 0.44 0.00 0.10 0.00 0.00 34.13 31.56 2cqe s GLU 510 CO 0.01 0.56 1.58 1.47 0.02 0.00 0.00 175.26 178.91 2cqe n LEU 511 N -0.07 6.21 -2.70 1.80 -0.00 -1.26 -4.87 117.00 116.10 2cqe n LEU 511 Ca -0.06 -4.63 -0.16 0.00 -0.00 0.00 0.00 56.01 51.16 2cqe n LEU 511 Cb 0.52 -0.66 0.06 0.00 -0.00 0.00 0.00 43.42 43.34 2cqe n LEU 511 CO 0.50 1.85 0.16 1.17 -0.00 0.00 0.00 177.39 181.07 2cqe n LYS 512 N -0.75 -5.53 -0.70 1.47 3.00 -1.26 -4.97 118.16 109.42 2cqe n LYS 512 Ca 0.52 0.59 -0.32 0.00 -0.00 0.00 0.00 58.31 59.10 2cqe n LYS 512 Cb 0.75 -4.90 0.16 0.00 0.00 0.00 0.00 35.03 31.04 2cqe n LYS 512 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 2cqe n LYS 513 N -3.63 -1.06 -3.11 1.64 4.81 -1.26 -3.82 118.16 111.73 2cqe n LYS 513 Ca -0.03 -0.27 -0.14 0.00 -0.87 0.00 0.00 58.31 57.00 2cqe n LYS 513 Cb 0.55 -1.90 0.06 0.00 0.02 0.00 0.00 35.03 33.77 2cqe n LYS 513 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 2cqe n SER 514 N -2.22 -3.50 -4.69 3.14 7.64 -1.26 -4.98 113.62 107.76 2cqe n SER 514 Ca 0.05 -0.40 -0.33 0.00 1.01 0.00 0.00 58.87 59.20 2cqe n SER 514 Cb 0.57 -3.64 0.14 0.00 -1.01 0.00 0.00 64.21 60.27 2cqe n SER 514 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2cqe s GLY 515 N -3.58 2.05 0.23 0.23 0.00 -1.25 -4.94 107.32 100.06 2cqe s GLY 515 Ca 0.20 0.80 -0.30 0.00 0.00 0.00 0.00 44.72 45.42 2cqe s GLY 515 CO 0.50 1.22 1.28 2.56 0.00 0.00 0.00 173.10 178.65 2cqe s PRO 516 N -4.25 4.42 -0.30 2.90 0.04 -1.26 -5.02 135.00 131.52 2cqe s PRO 516 Ca 0.72 2.05 -0.02 0.00 0.04 0.00 0.00 61.00 63.79 2cqe s PRO 516 Cb -0.27 -3.17 0.05 0.00 0.04 0.00 0.00 34.50 31.14 2cqe s PRO 516 CO 0.52 -0.17 0.00 -1.12 0.04 0.00 0.00 177.00 176.27 2cqe s SER 517 N 0.01 4.89 -0.05 6.66 0.01 -1.26 -5.00 113.70 118.96 2cqe s SER 517 Ca 0.53 -1.28 -0.12 0.00 1.31 0.00 0.00 55.95 56.39 2cqe s SER 517 Cb -0.36 -1.71 -0.07 0.00 0.21 0.00 0.00 66.02 64.08 2cqe s SER 517 CO 0.41 -0.26 0.49 -1.28 0.41 0.00 0.00 173.24 173.02 2cqe h SER 518 N 8.00 -0.33 0.00 2.44 0.87 -2.06 -3.57 113.55 118.89 2cqe h SER 518 Ca -0.21 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.33 2cqe h SER 518 Cb 1.06 0.09 0.00 0.00 -0.44 0.00 0.00 62.40 63.11 2cqe h SER 518 CO 0.53 0.13 0.00 0.61 -0.53 0.00 0.00 176.83 177.57