#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cqe n SER 423 N 0.00 1.08 -3.92 1.61 7.64 -1.26 -4.91 113.62 113.87 2cqe n SER 423 Ca 0.00 1.05 -0.09 0.00 1.01 0.00 0.00 58.87 60.83 2cqe n SER 423 Cb 0.00 -0.87 -0.06 0.00 -1.01 0.00 0.00 64.21 62.28 2cqe n SER 423 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2cqe s SER 424 N 3.63 -0.06 0.00 6.43 1.04 -1.26 -5.13 113.70 118.35 2cqe s SER 424 Ca 1.06 -0.79 0.00 0.00 0.48 0.00 0.00 55.95 56.70 2cqe s SER 424 Cb -1.47 0.50 0.00 0.00 0.10 0.00 0.00 66.02 65.15 2cqe s SER 424 CO 0.77 -0.98 0.00 0.61 0.98 0.00 0.00 173.24 174.61 2cqe n GLY 425 N -0.28 1.82 3.66 7.32 0.00 -1.26 -5.14 105.19 111.32 2cqe n GLY 425 Ca -0.07 -0.11 -0.34 0.00 0.00 0.00 0.00 46.02 45.50 2cqe n GLY 425 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2cqe n SER 426 N 0.00 0.85 -3.61 1.61 2.88 -1.26 -5.04 113.62 109.05 2cqe n SER 426 Ca 0.00 0.62 -0.16 0.00 -1.33 0.00 0.00 58.87 58.00 2cqe n SER 426 Cb 0.00 -1.47 -0.07 0.00 -0.75 0.00 0.00 64.21 61.91 2cqe n SER 426 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2cqe s SER 427 N -1.92 -0.55 -0.29 -3.46 0.01 -1.26 -5.17 113.70 101.06 2cqe s SER 427 Ca 0.74 0.74 -0.16 0.00 1.31 0.00 0.00 55.95 58.58 2cqe s SER 427 Cb -0.31 0.71 0.12 0.00 0.21 0.00 0.00 66.02 66.75 2cqe s SER 427 CO 0.50 -0.45 0.86 -0.83 0.41 0.00 0.00 173.24 173.73 2cqe s GLY 428 N -0.76 -0.28 0.20 3.44 0.00 -1.26 -5.16 107.32 103.50 2cqe s GLY 428 Ca -0.08 2.84 -0.16 0.00 0.00 0.00 0.00 44.72 47.31 2cqe s GLY 428 CO 0.06 2.58 0.64 -0.54 0.00 0.00 0.00 173.10 175.84 2cqe s GLU 429 N 1.58 4.09 0.04 2.90 2.02 -1.26 -5.09 118.70 122.98 2cqe s GLU 429 Ca -0.09 0.66 0.01 0.00 0.02 0.00 0.00 54.97 55.57 2cqe s GLU 429 Cb -0.05 -2.84 -0.03 0.00 0.10 0.00 0.00 34.13 31.32 2cqe s GLU 429 CO -0.17 0.40 -0.06 -0.51 0.02 0.00 0.00 175.26 174.93 2cqe s LEU 430 N -2.13 2.29 0.00 1.80 1.43 -1.26 -5.02 118.68 115.79 2cqe s LEU 430 Ca 0.42 -0.60 0.15 0.00 -1.03 0.00 0.00 54.13 53.07 2cqe s LEU 430 Cb -0.15 -0.07 0.86 0.00 0.03 0.00 0.00 46.19 46.86 2cqe s LEU 430 CO 0.20 -0.27 1.37 -0.81 0.23 0.00 0.00 176.35 177.07 2cqe n PRO 431 N 1.28 0.37 -4.24 1.29 -0.04 -1.26 -4.72 135.00 127.69 2cqe n PRO 431 Ca -0.22 0.06 -0.24 0.00 -0.04 0.00 0.00 63.50 63.07 2cqe n PRO 431 Cb 0.56 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.45 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 -2.24 2.44 -0.05 0.54 -0.14 -1.26 -4.97 119.74 114.05 2cqe s LYS 432 Ca 0.19 -1.25 0.02 0.00 -1.36 0.00 0.00 55.97 53.57 2cqe s LYS 432 Cb 0.10 -2.29 0.01 0.00 -1.68 0.00 0.00 37.83 33.97 2cqe s LYS 432 CO 0.20 0.40 -0.09 0.15 -0.76 0.00 0.00 175.35 175.25 2cqe s LYS 433 N -3.46 1.28 -0.64 1.68 1.02 0.13 -5.04 119.74 114.70 2cqe s LYS 433 Ca 0.30 -0.31 0.00 0.00 0.02 0.00 0.00 55.97 55.99 2cqe s LYS 433 Cb -0.08 -1.13 0.41 0.00 -0.52 0.00 0.00 37.83 36.52 2cqe s LYS 433 CO 0.20 0.02 1.79 0.54 -0.92 0.00 0.00 175.35 176.99 2cqe n ARG 434 N 3.73 2.94 -4.26 1.68 3.00 -1.26 -3.62 116.66 118.87 2cqe n ARG 434 Ca -0.22 -3.66 -0.28 0.00 -0.01 0.00 0.00 57.85 53.68 2cqe n ARG 434 Cb 0.52 -2.28 -0.10 0.00 0.00 0.00 0.00 32.46 30.61 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 -3.84 2.08 -0.14 5.56 2.02 -1.26 -4.80 118.70 118.32 2cqe s GLU 435 Ca 0.56 -1.15 -0.29 0.00 0.02 0.00 0.00 54.97 54.12 2cqe s GLU 435 Cb 0.46 -2.23 -0.05 0.00 0.10 0.00 0.00 34.13 32.40 2cqe s GLU 435 CO -0.16 0.47 1.95 -1.17 0.02 0.00 0.00 175.26 176.37 2cqe s LEU 436 N -2.52 3.89 0.24 1.80 2.96 -1.26 -1.66 118.68 122.12 2cqe s LEU 436 Ca 0.23 2.05 -0.31 0.00 -0.22 0.00 0.00 54.13 55.87 2cqe s LEU 436 Cb -0.10 -3.52 -0.12 0.00 0.50 0.00 0.00 46.19 42.95 2cqe s LEU 436 CO 0.14 -1.47 1.66 0.00 -1.32 0.00 0.00 176.35 175.37 2cqe n LYS 438 N 3.29 1.12 0.00 0.00 0.00 -1.26 -3.38 118.16 117.93 2cqe n LYS 438 Ca 0.13 -0.12 0.00 0.00 -0.00 0.00 0.00 58.31 58.32 2cqe n LYS 438 Cb 0.36 -1.30 0.00 0.00 -0.00 0.00 0.00 35.03 34.09 2cqe n LYS 438 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 2cqe n PHE 439 N -0.17 0.00 -0.02 5.58 3.72 -1.26 -4.72 117.46 120.58 2cqe n PHE 439 Ca 0.01 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.35 2cqe n PHE 439 Cb 0.17 0.00 0.14 0.00 -0.94 0.00 0.00 39.48 38.85 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 0.00 0.69 -1.47 1.38 3.20 -1.82 -2.02 116.97 116.92 2cqe h TYR 440 Ca 0.00 -0.16 0.45 0.00 3.14 0.00 0.00 58.73 62.15 2cqe h TYR 440 Cb 0.98 -0.16 -0.10 0.00 1.54 0.00 0.00 36.73 38.99 2cqe h TYR 440 CO 0.00 0.82 1.01 0.82 -1.64 0.00 0.00 178.16 179.17 2cqe h ILE 441 N 0.52 0.17 0.00 1.81 2.04 -1.84 0.08 117.51 120.29 2cqe h ILE 441 Ca 0.07 -0.02 -0.34 0.00 1.00 0.00 0.00 64.86 65.56 2cqe h ILE 441 Cb 0.76 0.10 -0.06 0.00 -0.74 0.00 0.00 36.82 36.87 2cqe h ILE 441 CO 0.06 0.01 -2.30 0.35 0.00 0.00 0.00 178.15 176.28 2cqe n THR 442 N -4.36 1.30 0.00 -0.27 -2.24 -1.12 -5.02 114.28 102.57 2cqe n THR 442 Ca 0.36 -0.60 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 2cqe n THR 442 Cb 1.53 -1.04 0.00 0.00 -2.10 0.00 0.00 70.33 68.72 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 2.21 1.51 3.34 3.38 0.00 0.01 -5.06 105.19 110.58 2cqe n GLY 443 Ca -0.37 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.19 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 -1.99 3.96 -0.25 1.61 5.36 -1.06 -4.91 117.98 120.70 2cqe s PHE 444 Ca 0.00 -2.27 0.02 0.00 -0.96 0.00 0.00 56.93 53.72 2cqe s PHE 444 Cb 0.00 -3.84 0.06 0.00 -0.34 0.00 0.00 43.02 38.89 2cqe s PHE 444 CO 0.00 -0.99 -0.10 0.00 -1.46 0.00 0.00 175.22 172.67 2cqe n ALA 446 N 4.49 -0.04 -2.52 0.00 0.00 -1.26 -3.90 120.51 117.28 2cqe n ALA 446 Ca -0.14 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.88 2cqe n ALA 446 Cb 0.43 0.46 -0.02 0.00 0.00 0.00 0.00 19.45 20.31 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 -2.96 3.55 0.00 0.00 0.52 -1.26 -4.92 118.95 113.88 2cqe s ARG 447 Ca 0.00 0.48 0.00 0.00 -0.52 0.00 0.00 55.73 55.69 2cqe s ARG 447 Cb 0.00 -4.00 0.00 0.00 0.52 0.00 0.00 34.95 31.47 2cqe s ARG 447 CO 0.00 -1.62 0.00 0.00 0.02 0.00 0.00 175.30 173.70 2cqe n ALA 448 N 8.52 -0.00 1.95 2.13 0.00 -1.25 -3.35 120.51 128.51 2cqe n ALA 448 Ca 0.11 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.67 2cqe n ALA 448 Cb 0.49 0.00 0.65 0.00 0.00 0.00 0.00 19.45 20.59 2cqe n ALA 448 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2cqe n GLU 449 N -1.20 1.05 -0.22 0.00 -0.58 -1.26 -2.95 120.64 115.47 2cqe n GLU 449 Ca 0.00 -0.08 0.07 0.00 -0.42 0.00 0.00 57.16 56.73 2cqe n GLU 449 Cb 0.00 -1.36 0.16 0.00 -0.57 0.00 0.00 31.44 29.68 2cqe n GLU 449 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 2cqe n ASN 450 N -0.77 3.00 -4.60 1.62 4.13 -1.26 -4.98 115.26 112.40 2cqe n ASN 450 Ca 0.17 -2.61 -0.43 0.00 1.68 0.00 0.00 54.58 53.39 2cqe n ASN 450 Cb 0.10 -0.35 -0.02 0.00 -1.54 0.00 0.00 39.78 37.96 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 7.60 0.44 -3.20 0.00 -0.04 -1.26 -4.75 135.00 133.79 2cqe n PRO 452 Ca 0.11 0.02 -0.21 0.00 -0.04 0.00 0.00 63.50 63.38 2cqe n PRO 452 Cb 0.49 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.50 2cqe n PRO 452 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2cqe s TYR 453 N -2.09 1.26 -0.13 0.54 1.51 -1.24 0.18 117.35 117.39 2cqe s TYR 453 Ca 0.22 -0.79 -0.07 0.00 -1.01 0.00 0.00 57.07 55.41 2cqe s TYR 453 Cb 0.11 -2.13 -0.04 0.00 -0.11 0.00 0.00 41.96 39.79 2cqe s TYR 453 CO 0.19 -1.12 0.14 -1.64 -1.11 0.00 0.00 175.55 172.00 2cqe s MET 454 N -4.64 3.49 0.00 -0.62 -1.94 -0.67 -4.91 119.30 110.03 2cqe s MET 454 Ca 0.57 -0.14 0.00 0.00 -1.71 0.00 0.00 55.69 54.41 2cqe s MET 454 Cb -0.05 -3.21 0.00 0.00 2.01 0.00 0.00 34.83 33.59 2cqe s MET 454 CO 0.36 0.75 0.00 0.72 -0.01 0.00 0.00 175.02 176.84 2cqe n HIS 455 N 2.09 0.00 -0.04 -0.03 8.25 -1.26 -3.13 115.22 121.10 2cqe n HIS 455 Ca -0.20 0.00 -0.00 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 31.66 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 -0.64 -1.41 0.00 -1.96 -3.36 103.07 95.71 2cqe h GLY 456 Ca 0.00 0.00 0.19 0.00 0.00 0.00 0.00 47.33 47.52 2cqe h GLY 456 CO 0.00 0.00 0.06 1.34 0.00 0.00 0.00 176.54 177.94 2cqe n ASP 457 N -3.91 -0.04 -4.65 0.19 -0.08 -1.26 -3.22 116.55 103.58 2cqe n ASP 457 Ca -0.01 1.08 -0.56 0.00 -1.51 0.00 0.00 54.79 53.79 2cqe n ASP 457 Cb 0.02 -0.41 -0.07 0.00 2.34 0.00 0.00 41.12 43.00 2cqe n ASP 457 CO 0.00 0.00 0.00 0.33 0.12 0.00 0.00 177.20 177.65 2cqe n PHE 458 N -4.78 1.73 -2.26 -0.67 7.35 -1.26 -4.63 117.46 112.94 2cqe n PHE 458 Ca 0.16 0.66 -0.37 0.00 -0.76 0.00 0.00 57.45 57.14 2cqe n PHE 458 Cb 0.53 -2.37 -0.01 0.00 0.35 0.00 0.00 39.48 37.98 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 2.09 3.81 0.46 -7.13 0.04 -1.26 -2.96 135.00 130.04 2cqe s PRO 459 Ca 0.93 1.79 -0.24 0.00 0.04 0.00 0.00 61.00 63.52 2cqe s PRO 459 Cb -1.07 -2.46 -0.07 0.00 0.04 0.00 0.00 34.50 30.94 2cqe s PRO 459 CO 0.59 -0.52 1.31 0.00 0.04 0.00 0.00 177.00 178.42 2cqe h LYS 461 N 2.18 -0.01 -0.55 0.00 3.64 -1.94 -3.34 116.57 116.55 2cqe h LYS 461 Ca -0.50 0.00 0.07 0.00 -1.27 0.00 0.00 60.65 58.95 2cqe h LYS 461 Cb 1.26 0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 32.99 2cqe h LYS 461 CO 0.60 -0.01 -0.54 -0.07 -2.27 0.00 0.00 179.45 177.17 2cqe h LEU 462 N -0.29 -1.83 -0.99 5.20 3.38 -1.94 0.72 115.31 119.57 2cqe h LEU 462 Ca -0.00 0.26 0.29 0.00 0.09 0.00 0.00 57.88 58.52 2cqe h LEU 462 Cb 0.01 0.78 -0.04 0.00 0.09 0.00 0.00 40.66 41.50 2cqe h LEU 462 CO 0.00 -0.36 1.20 0.00 0.09 0.00 0.00 178.44 179.37 2cqe n TYR 463 N -5.36 0.00 -0.13 1.13 4.19 -1.25 -0.41 117.16 115.33 2cqe n TYR 463 Ca -0.01 0.00 -0.26 0.00 3.31 0.00 0.00 57.90 60.93 2cqe n TYR 463 Cb 0.33 -0.25 -0.09 0.00 0.49 0.00 0.00 39.34 39.83 2cqe n TYR 463 CO 0.00 0.00 0.00 0.72 0.91 0.00 0.00 176.86 178.49 2cqe n HIS 464 N -3.19 0.01 -0.26 2.98 8.25 0.21 -1.76 115.22 121.47 2cqe n HIS 464 Ca 0.22 0.00 0.16 0.00 -0.26 0.00 0.00 57.72 57.85 2cqe n HIS 464 Cb 1.50 -0.92 0.31 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 -4.29 -0.33 0.00 1.59 -2.24 0.95 -2.89 114.28 107.08 2cqe n THR 465 Ca -0.48 1.67 0.00 0.00 -2.27 0.00 0.00 64.05 62.97 2cqe n THR 465 Cb 0.82 -2.53 0.00 0.00 -2.10 0.00 0.00 70.33 66.53 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 -4.98 0.00 0.00 4.28 -2.24 -0.91 -5.06 114.28 105.37 2cqe n THR 466 Ca 0.22 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.00 2cqe n THR 466 Cb 0.74 -0.62 0.00 0.00 -2.10 0.00 0.00 70.33 68.34 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 2.87 3.50 3.64 3.38 0.00 -0.72 -5.07 105.19 112.79 2cqe n GLY 467 Ca 0.00 -0.70 -0.31 0.00 0.00 0.00 0.00 46.02 45.02 2cqe n GLY 467 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2cqe s ASN 468 N -0.08 4.82 0.03 1.61 -0.87 -1.22 -4.55 114.94 114.68 2cqe s ASN 468 Ca 0.00 -0.18 0.00 0.00 -1.57 0.00 0.00 52.86 51.11 2cqe s ASN 468 Cb 0.00 -1.12 -0.04 0.00 -0.02 0.00 0.00 41.25 40.07 2cqe s ASN 468 CO 0.00 0.22 0.12 0.00 -2.57 0.00 0.00 177.10 174.87 2cqe h ILE 470 N 2.78 1.31 -0.12 0.00 6.09 -2.00 -3.27 117.51 122.31 2cqe h ILE 470 Ca -0.48 -1.56 0.05 0.00 -1.37 0.00 0.00 64.86 61.50 2cqe h ILE 470 Cb 1.17 1.69 -0.06 0.00 0.47 0.00 0.00 36.82 40.09 2cqe h ILE 470 CO 0.67 0.49 -0.30 -1.13 -3.07 0.00 0.00 178.15 174.81 2cqe h ASN 471 N 0.43 -0.94 0.00 2.19 -0.73 -1.97 -3.49 115.58 111.07 2cqe h ASN 471 Ca 0.03 0.14 0.00 0.00 1.87 0.00 0.00 56.30 58.34 2cqe h ASN 471 Cb 0.95 0.40 0.00 0.00 0.27 0.00 0.00 38.32 39.94 2cqe h ASN 471 CO 0.08 -0.35 0.00 0.61 -0.37 0.00 0.00 177.43 177.41 2cqe n GLY 472 N -1.40 0.40 0.23 1.57 0.00 -1.23 -4.67 105.19 100.08 2cqe n GLY 472 Ca -0.03 -2.10 0.14 0.00 0.00 0.00 0.00 46.02 44.03 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 0.00 -1.25 1.61 3.32 -1.94 -3.19 116.42 114.97 2cqe h ASP 473 Ca 0.00 0.00 -0.69 0.00 0.02 0.00 0.00 57.03 56.36 2cqe h ASP 473 Cb 0.00 0.00 -0.29 0.00 0.22 0.00 0.00 39.33 39.26 2cqe h ASP 473 CO 0.00 0.00 0.81 -0.90 -1.72 0.00 0.00 179.24 177.43 2cqe n ASP 474 N -2.96 7.47 -4.77 6.45 5.75 -1.26 -5.00 116.55 122.23 2cqe n ASP 474 Ca 0.03 -3.80 -0.38 0.00 -0.01 0.00 0.00 54.79 50.63 2cqe n ASP 474 Cb 0.41 -0.96 -0.05 0.00 -1.03 0.00 0.00 41.12 39.49 2cqe n ASP 474 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2cqe n MET 476 N 0.61 1.18 -4.34 0.00 0.00 -1.26 -4.80 117.12 108.51 2cqe n MET 476 Ca 0.02 -0.15 -0.19 0.00 0.00 0.00 0.00 57.70 57.38 2cqe n MET 476 Cb 0.49 -1.50 -0.10 0.00 0.00 0.00 0.00 33.22 32.10 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 -1.14 1.72 -0.18 3.17 0.08 -1.26 -4.83 117.98 115.54 2cqe s PHE 477 Ca 0.03 -0.55 -0.29 0.00 0.12 0.00 0.00 56.93 56.24 2cqe s PHE 477 Cb 0.02 -0.81 -0.01 0.00 -0.57 0.00 0.00 43.02 41.65 2cqe s PHE 477 CO 0.01 0.34 1.20 -1.12 -0.10 0.00 0.00 175.22 175.55 2cqe s SER 478 N -3.12 6.99 -0.50 1.36 0.01 -1.16 -4.82 113.70 112.47 2cqe s SER 478 Ca 0.20 1.62 0.03 0.00 1.31 0.00 0.00 55.95 59.11 2cqe s SER 478 Cb -0.02 -2.54 0.60 0.00 0.21 0.00 0.00 66.02 64.27 2cqe s SER 478 CO 0.07 -0.73 1.92 1.41 0.41 0.00 0.00 173.24 176.32 2cqe n HIS 479 N 6.46 3.02 -1.73 2.43 8.25 -1.26 -1.42 115.22 130.97 2cqe n HIS 479 Ca 0.13 -2.15 -0.31 0.00 -0.26 0.00 0.00 57.72 55.14 2cqe n HIS 479 Cb 0.45 -1.05 0.04 0.00 1.12 0.00 0.00 29.99 30.55 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 -1.52 5.57 -0.17 0.41 1.01 -1.26 -4.98 116.67 115.73 2cqe s ASP 480 Ca 0.58 1.41 -0.29 0.00 0.71 0.00 0.00 52.55 54.96 2cqe s ASP 480 Cb 0.48 -2.32 -0.03 0.00 1.01 0.00 0.00 42.92 42.07 2cqe s ASP 480 CO 0.07 -1.29 1.57 -2.16 0.21 0.00 0.00 175.17 173.57 2cqe s PRO 481 N -5.17 3.96 0.55 8.23 0.04 -1.26 -4.95 135.00 136.40 2cqe s PRO 481 Ca 0.57 1.79 -0.18 0.00 0.04 0.00 0.00 61.00 63.23 2cqe s PRO 481 Cb -0.12 -3.98 -0.14 0.00 0.04 0.00 0.00 34.50 30.29 2cqe s PRO 481 CO 0.54 -1.10 -0.11 1.28 0.04 0.00 0.00 177.00 177.65 2cqe n LEU 482 N 7.84 -3.40 -4.17 -3.56 4.77 -1.26 -4.99 117.00 112.24 2cqe n LEU 482 Ca 0.18 0.62 -0.14 0.00 -0.03 0.00 0.00 56.01 56.64 2cqe n LEU 482 Cb 0.45 -0.88 -0.11 0.00 -2.33 0.00 0.00 43.42 40.55 2cqe n LEU 482 CO 0.63 -4.71 -0.42 0.42 -1.33 0.00 0.00 177.39 171.98 2cqe s THR 483 N -1.98 0.91 0.50 -5.08 -4.23 -1.26 -4.89 115.64 99.61 2cqe s THR 483 Ca 0.57 -1.60 0.40 0.00 -1.18 0.00 0.00 61.69 59.88 2cqe s THR 483 Cb -0.47 -1.31 0.61 0.00 1.34 0.00 0.00 72.50 72.68 2cqe s THR 483 CO 0.66 -0.55 1.59 1.05 -0.54 0.00 0.00 174.62 176.83 2cqe h GLU 484 N 3.63 0.01 0.00 3.99 4.11 -1.98 0.61 114.58 124.96 2cqe h GLU 484 Ca -0.37 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.06 2cqe h GLU 484 Cb 1.19 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 2cqe h GLU 484 CO 0.52 0.01 0.00 0.39 0.07 0.00 0.00 179.01 180.00 2cqe n GLU 485 N -4.37 0.00 -0.18 1.06 1.02 -1.26 -3.69 120.64 113.22 2cqe n GLU 485 Ca 0.42 0.26 -0.04 0.00 -0.02 0.00 0.00 57.16 57.78 2cqe n GLU 485 Cb 1.75 -0.76 0.02 0.00 -0.02 0.00 0.00 31.44 32.43 2cqe n GLU 485 CO 0.00 0.00 0.00 1.79 1.18 0.00 0.00 177.13 180.10 2cqe h THR 486 N 0.00 0.24 -0.98 2.62 1.35 -1.83 0.47 112.91 114.78 2cqe h THR 486 Ca 0.00 0.00 0.30 0.00 -0.55 0.00 0.00 66.41 66.16 2cqe h THR 486 Cb 0.00 0.24 -0.18 0.00 -1.73 0.00 0.00 68.15 66.49 2cqe h THR 486 CO 0.00 0.00 0.19 -0.09 -0.25 0.00 0.00 175.52 175.37 2cqe h ARG 487 N -0.14 0.03 -0.84 4.72 1.12 0.01 1.30 114.38 120.58 2cqe h ARG 487 Ca 0.24 -0.00 0.02 0.00 -1.11 0.00 0.00 59.98 59.12 2cqe h ARG 487 Cb 0.52 -0.01 -0.04 0.00 -0.01 0.00 0.00 29.97 30.43 2cqe h ARG 487 CO -0.63 0.02 0.56 1.49 -3.11 0.00 0.00 179.97 178.30 2cqe h GLU 488 N 0.04 1.08 0.10 0.20 4.22 -0.98 -3.06 114.58 116.19 2cqe h GLU 488 Ca 0.66 -0.07 0.00 0.00 0.08 0.00 0.00 59.36 60.04 2cqe h GLU 488 Cb 1.48 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 30.47 2cqe h GLU 488 CO -0.85 0.72 -0.24 -0.07 -2.18 0.00 0.00 179.01 176.39 2cqe h LEU 489 N 1.12 -0.69 -0.80 1.64 3.38 0.18 -2.73 115.31 117.40 2cqe h LEU 489 Ca 0.32 0.07 0.10 0.00 0.09 0.00 0.00 57.88 58.45 2cqe h LEU 489 Cb -0.08 0.25 -0.12 0.00 0.09 0.00 0.00 40.66 40.79 2cqe h LEU 489 CO -0.08 -0.27 -0.49 -0.07 0.09 0.00 0.00 178.44 177.62 2cqe h LEU 490 N -0.37 -1.76 -0.99 1.67 3.38 -1.46 0.49 115.31 116.27 2cqe h LEU 490 Ca -0.01 0.29 0.37 0.00 0.09 0.00 0.00 57.88 58.62 2cqe h LEU 490 Cb 0.36 0.80 -0.18 0.00 0.09 0.00 0.00 40.66 41.73 2cqe h LEU 490 CO -0.10 -0.30 0.36 0.47 0.09 0.00 0.00 178.44 178.96 2cqe n ASP 491 N -5.36 0.18 -0.03 -0.43 8.00 -1.10 -0.03 116.55 117.78 2cqe n ASP 491 Ca 0.03 1.66 -0.16 0.00 0.71 0.00 0.00 54.79 57.04 2cqe n ASP 491 Cb 0.33 -0.74 -0.13 0.00 -0.02 0.00 0.00 41.12 40.56 2cqe n ASP 491 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 2cqe h LYS 492 N 0.00 0.10 0.09 -1.24 3.64 0.10 -3.31 116.57 115.95 2cqe h LYS 492 Ca 0.76 -0.15 0.02 0.00 -1.27 0.00 0.00 60.65 60.00 2cqe h LYS 492 Cb 1.89 0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 33.71 2cqe h LYS 492 CO -0.83 1.05 -0.48 1.98 -2.27 0.00 0.00 179.45 178.91 2cqe h MET 493 N -0.78 -0.66 -0.96 1.90 4.05 0.26 -0.64 114.93 118.09 2cqe h MET 493 Ca -0.04 0.05 0.23 0.00 -0.28 0.00 0.00 59.70 59.66 2cqe h MET 493 Cb 1.17 0.15 -0.18 0.00 -0.80 0.00 0.00 31.60 31.94 2cqe h MET 493 CO 0.05 -0.44 -0.08 -0.07 0.23 0.00 0.00 176.91 176.60 2cqe h LEU 494 N -0.69 -0.63 -0.47 3.39 3.38 -0.61 0.68 115.31 120.36 2cqe h LEU 494 Ca 0.01 0.28 -0.05 0.00 0.09 0.00 0.00 57.88 58.21 2cqe h LEU 494 Cb 0.72 0.52 -0.02 0.00 0.09 0.00 0.00 40.66 41.97 2cqe h LEU 494 CO -0.29 -0.33 0.11 0.00 0.09 0.00 0.00 178.44 178.02 2cqe h ALA 495 N 1.95 0.62 -0.62 1.53 0.00 -1.43 -1.79 119.26 119.53 2cqe h ALA 495 Ca 0.53 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.24 2cqe h ALA 495 Cb 0.99 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 2cqe h ALA 495 CO -0.93 0.32 0.40 0.22 0.00 0.00 0.00 179.25 179.26 2cqe h ASP 496 N 0.64 0.72 0.51 0.00 1.82 0.17 0.42 116.42 120.71 2cqe h ASP 496 Ca 0.15 -0.03 -0.03 0.00 -0.39 0.00 0.00 57.03 56.73 2cqe h ASP 496 Cb 0.34 -0.18 0.01 0.00 0.68 0.00 0.00 39.33 40.17 2cqe h ASP 496 CO 0.00 0.54 -0.25 -0.78 -1.61 0.00 0.00 179.24 177.14 2cqe h ASP 497 N 0.84 -0.58 -0.17 2.28 3.58 -0.47 -1.21 116.42 120.69 2cqe h ASP 497 Ca 0.23 0.02 0.05 0.00 0.42 0.00 0.00 57.03 57.75 2cqe h ASP 497 Cb -0.08 0.15 -0.07 0.00 1.72 0.00 0.00 39.33 41.06 2cqe h ASP 497 CO -0.05 -0.37 -0.38 0.00 -2.88 0.00 0.00 179.24 175.56 2cqe h ALA 498 N -1.58 -0.49 -0.19 -0.78 0.00 -1.33 -0.60 119.26 114.30 2cqe h ALA 498 Ca -0.07 0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.90 2cqe h ALA 498 Cb 0.53 0.73 -0.07 0.00 0.00 0.00 0.00 17.79 18.98 2cqe h ALA 498 CO 0.12 -0.87 -0.46 1.49 0.00 0.00 0.00 179.25 179.53 2cqe h GLU 499 N -0.44 -0.47 -0.42 0.00 4.81 -0.98 -2.04 114.58 115.05 2cqe h GLU 499 Ca 0.09 0.03 0.09 0.00 -0.13 0.00 0.00 59.36 59.44 2cqe h GLU 499 Cb 0.59 0.11 -0.09 0.00 0.63 0.00 0.00 28.75 29.99 2cqe h GLU 499 CO -0.40 -0.31 -0.23 0.00 -0.73 0.00 0.00 179.01 177.33 2cqe h ALA 500 N 0.05 0.05 0.00 2.92 0.00 -0.78 -3.47 119.26 118.03 2cqe h ALA 500 Ca 0.07 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2cqe h ALA 500 Cb 0.64 0.54 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2cqe h ALA 500 CO -0.45 -0.60 0.00 0.41 0.00 0.00 0.00 179.25 178.62 2cqe n GLY 501 N -1.39 1.49 3.35 0.00 0.00 -0.27 -4.94 105.19 103.42 2cqe n GLY 501 Ca 0.02 -0.61 -0.20 0.00 0.00 0.00 0.00 46.02 45.24 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 -1.00 2.05 0.52 4.61 0.00 -1.26 -4.90 121.76 121.78 2cqe s ALA 502 Ca 0.00 -1.74 -0.22 0.00 0.00 0.00 0.00 51.96 50.01 2cqe s ALA 502 Cb 0.00 1.15 -0.07 0.00 0.00 0.00 0.00 23.12 24.20 2cqe s ALA 502 CO 0.00 -0.51 1.14 0.39 0.00 0.00 0.00 175.76 176.79 2cqe n GLU 503 N -0.62 1.39 -4.02 0.00 4.71 -1.26 -5.02 120.64 115.81 2cqe n GLU 503 Ca 0.01 0.51 -0.08 0.00 -0.01 0.00 0.00 57.16 57.59 2cqe n GLU 503 Cb 0.65 -2.31 -0.10 0.00 -1.01 0.00 0.00 31.44 28.67 2cqe n GLU 503 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 2cqe s ASP 504 N -0.94 0.35 0.16 1.62 1.01 -1.26 -5.13 116.67 112.48 2cqe s ASP 504 Ca 0.70 -0.75 -0.31 0.00 0.71 0.00 0.00 52.55 52.90 2cqe s ASP 504 Cb -0.46 0.17 -0.10 0.00 1.01 0.00 0.00 42.92 43.54 2cqe s ASP 504 CO 0.51 -0.48 1.59 -1.83 0.21 0.00 0.00 175.17 175.17 2cqe s GLU 505 N -2.85 4.21 -0.00 8.23 -1.05 -1.26 -4.88 118.70 121.09 2cqe s GLU 505 Ca -0.03 2.38 -0.00 0.00 -0.15 0.00 0.00 54.97 57.17 2cqe s GLU 505 Cb 0.00 -3.20 -0.00 0.00 -0.44 0.00 0.00 34.13 30.49 2cqe s GLU 505 CO -0.06 -0.63 -0.00 0.36 0.95 0.00 0.00 175.26 175.88 2cqe n LYS 506 N 4.17 0.00 -3.73 -4.83 2.85 -1.26 -4.96 118.16 110.40 2cqe n LYS 506 Ca 0.14 0.00 -0.30 0.00 -1.05 0.00 0.00 58.31 57.11 2cqe n LYS 506 Cb 0.38 -0.71 -0.13 0.00 -0.65 0.00 0.00 35.03 33.92 2cqe n LYS 506 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 177.40 175.35 2cqe s GLU 507 N -2.00 1.21 -0.03 -1.58 2.12 -1.26 -4.94 118.70 112.22 2cqe s GLU 507 Ca -0.00 -1.85 0.06 0.00 0.36 0.00 0.00 54.97 53.54 2cqe s GLU 507 Cb 0.00 -2.34 0.24 0.00 0.26 0.00 0.00 34.13 32.29 2cqe s GLU 507 CO 0.00 -1.12 1.08 1.33 -0.54 0.00 0.00 175.26 176.01 2cqe n VAL 508 N 3.79 0.57 -3.81 3.70 0.24 -1.26 -4.78 118.33 116.78 2cqe n VAL 508 Ca 0.06 -0.39 -0.14 0.00 -2.04 0.00 0.00 64.34 61.84 2cqe n VAL 508 Cb 0.36 -0.07 -0.15 0.00 -1.47 0.00 0.00 33.84 32.51 2cqe n VAL 508 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 2cqe s GLU 509 N -1.64 -0.02 0.42 7.34 0.41 -1.26 -5.16 118.70 118.79 2cqe s GLU 509 Ca 0.17 0.12 0.04 0.00 -0.41 0.00 0.00 54.97 54.89 2cqe s GLU 509 Cb 0.11 -0.14 0.00 0.00 -1.78 0.00 0.00 34.13 32.32 2cqe s GLU 509 CO 0.09 -0.10 0.60 -1.21 -0.49 0.00 0.00 175.26 174.15 2cqe s GLU 510 N 0.64 2.95 0.00 1.61 2.02 -1.26 -5.05 118.70 119.62 2cqe s GLU 510 Ca -0.05 -0.86 0.00 0.00 0.02 0.00 0.00 54.97 54.08 2cqe s GLU 510 Cb -0.08 -2.68 0.00 0.00 0.10 0.00 0.00 34.13 31.48 2cqe s GLU 510 CO -0.02 -0.22 0.00 1.47 0.02 0.00 0.00 175.26 176.51 2cqe n LEU 511 N -1.92 2.00 -1.88 1.80 -0.00 -1.26 -4.75 117.00 110.98 2cqe n LEU 511 Ca 0.03 0.00 -0.12 0.00 -0.00 0.00 0.00 56.01 55.92 2cqe n LEU 511 Cb 0.58 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.98 2cqe n LEU 511 CO 0.44 0.32 1.28 2.29 -0.00 0.00 0.00 177.39 181.71 2cqe n LYS 512 N -2.48 1.68 -1.45 1.47 2.85 -1.26 -4.93 118.16 114.05 2cqe n LYS 512 Ca 0.00 -1.10 -0.47 0.00 -1.05 0.00 0.00 58.31 55.69 2cqe n LYS 512 Cb 0.43 -1.57 -0.10 0.00 -0.65 0.00 0.00 35.03 33.13 2cqe n LYS 512 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 2cqe n LYS 513 N 1.17 0.54 -2.54 -1.58 0.00 -1.26 -4.87 118.16 109.63 2cqe n LYS 513 Ca 0.26 0.09 -0.42 0.00 0.00 0.00 0.00 58.31 58.24 2cqe n LYS 513 Cb 0.61 -2.17 -0.03 0.00 0.00 0.00 0.00 35.03 33.44 2cqe n LYS 513 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 2cqe s SER 514 N 8.51 7.19 0.00 3.14 0.15 -1.26 -5.02 113.70 126.41 2cqe s SER 514 Ca 1.18 1.84 0.00 0.00 0.70 0.00 0.00 55.95 59.67 2cqe s SER 514 Cb -0.97 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 60.76 2cqe s SER 514 CO 0.48 -0.40 0.00 0.61 1.20 0.00 0.00 173.24 175.13 2cqe n GLY 515 N 3.11 5.40 3.73 9.45 0.00 -1.26 -5.16 105.19 120.46 2cqe n GLY 515 Ca 0.08 -1.68 -0.30 0.00 0.00 0.00 0.00 46.02 44.12 2cqe n GLY 515 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cqe s PRO 516 N 0.05 1.49 -0.25 1.61 0.04 -1.26 -5.00 135.00 131.68 2cqe s PRO 516 Ca 0.00 0.90 0.13 0.00 0.04 0.00 0.00 61.00 62.07 2cqe s PRO 516 Cb 0.00 -1.83 0.47 0.00 0.04 0.00 0.00 34.50 33.18 2cqe s PRO 516 CO 0.00 -2.10 1.17 -1.13 0.04 0.00 0.00 177.00 174.98 2cqe n SER 517 N -3.80 3.33 -4.34 6.66 3.41 -1.26 -5.09 113.62 112.53 2cqe n SER 517 Ca 0.07 -3.18 -0.29 0.00 -0.26 0.00 0.00 58.87 55.21 2cqe n SER 517 Cb 0.55 -0.40 0.25 0.00 -0.26 0.00 0.00 64.21 64.35 2cqe n SER 517 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2cqe n SER 518 N -0.65 -2.18 0.00 4.04 3.41 -1.26 -5.38 113.62 111.60 2cqe n SER 518 Ca 0.28 -0.25 0.00 0.00 -0.26 0.00 0.00 58.87 58.64 2cqe n SER 518 Cb 0.90 -1.17 0.00 0.00 -0.26 0.00 0.00 64.21 63.68 2cqe n SER 518 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49