#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 2.47 -0.46 1.61 0.15 -1.26 -5.09 113.70 111.12 2cqe s SER 423 Ca 0.00 -0.67 -0.41 0.00 0.70 0.00 0.00 55.95 55.57 2cqe s SER 423 Cb 0.00 -0.28 -0.18 0.00 -1.71 0.00 0.00 66.02 63.85 2cqe s SER 423 CO 0.00 -0.35 1.80 -1.54 1.20 0.00 0.00 173.24 174.35 2cqe n SER 424 N 5.25 0.82 0.00 5.45 3.41 -1.26 -4.65 113.62 122.65 2cqe n SER 424 Ca -0.07 0.77 0.00 0.00 -0.26 0.00 0.00 58.87 59.31 2cqe n SER 424 Cb 0.48 -0.82 0.00 0.00 -0.26 0.00 0.00 64.21 63.62 2cqe n SER 424 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2cqe n GLY 425 N 5.82 -1.63 3.06 5.00 0.00 -1.26 -5.13 105.19 111.06 2cqe n GLY 425 Ca 0.43 0.59 -0.49 0.00 0.00 0.00 0.00 46.02 46.55 2cqe n GLY 425 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2cqe n SER 426 N 0.00 -0.39 -4.48 1.61 7.64 -1.26 -4.89 113.62 111.84 2cqe n SER 426 Ca 0.00 1.02 -0.40 0.00 1.01 0.00 0.00 58.87 60.50 2cqe n SER 426 Cb 0.00 -0.82 -0.11 0.00 -1.01 0.00 0.00 64.21 62.27 2cqe n SER 426 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2cqe s SER 427 N -0.31 5.80 0.00 6.43 0.01 -1.26 -4.72 113.70 119.64 2cqe s SER 427 Ca 0.72 -0.51 0.00 0.00 1.31 0.00 0.00 55.95 57.47 2cqe s SER 427 Cb -1.02 -2.07 0.00 0.00 0.21 0.00 0.00 66.02 63.15 2cqe s SER 427 CO 0.50 -0.23 0.00 0.61 0.41 0.00 0.00 173.24 174.53 2cqe n GLY 428 N 5.04 -0.07 3.15 3.44 0.00 -1.26 -5.15 105.19 110.34 2cqe n GLY 428 Ca -0.13 -0.01 -0.32 0.00 0.00 0.00 0.00 46.02 45.55 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 0.00 2.94 0.08 1.61 8.01 -1.26 -5.12 118.70 124.95 2cqe s GLU 429 Ca 0.00 -0.82 0.02 0.00 0.01 0.00 0.00 54.97 54.18 2cqe s GLU 429 Cb 0.00 -2.40 -0.03 0.00 -4.31 0.00 0.00 34.13 27.39 2cqe s GLU 429 CO 0.00 -0.04 -0.08 -0.51 0.01 0.00 0.00 175.26 174.64 2cqe s LEU 430 N 0.88 2.39 -0.90 1.80 1.43 -1.26 -5.08 118.68 117.94 2cqe s LEU 430 Ca -0.06 -0.78 -0.25 0.00 -1.03 0.00 0.00 54.13 52.01 2cqe s LEU 430 Cb -0.15 -0.17 -0.05 0.00 0.03 0.00 0.00 46.19 45.85 2cqe s LEU 430 CO -0.03 -0.31 1.94 -2.16 0.23 0.00 0.00 176.35 176.02 2cqe s PRO 431 N -2.71 2.56 0.34 1.29 0.04 -1.26 -4.89 135.00 130.37 2cqe s PRO 431 Ca 0.02 -0.30 0.08 0.00 0.04 0.00 0.00 61.00 60.84 2cqe s PRO 431 Cb -0.03 -5.07 -0.03 0.00 0.04 0.00 0.00 34.50 29.42 2cqe s PRO 431 CO -0.02 -3.37 0.28 0.15 0.04 0.00 0.00 177.00 174.09 2cqe s LYS 432 N 6.99 1.80 -0.35 4.56 1.02 -1.26 -5.06 119.74 127.43 2cqe s LYS 432 Ca 0.70 -2.05 0.00 0.00 0.02 0.00 0.00 55.97 54.64 2cqe s LYS 432 Cb -0.07 0.30 0.11 0.00 -0.52 0.00 0.00 37.83 37.65 2cqe s LYS 432 CO -0.01 -0.66 0.14 0.15 -0.92 0.00 0.00 175.35 174.05 2cqe s LYS 433 N -3.41 0.91 -0.51 1.68 -0.14 0.11 -5.01 119.74 113.37 2cqe s LYS 433 Ca 0.40 -1.40 -0.06 0.00 -1.36 0.00 0.00 55.97 53.55 2cqe s LYS 433 Cb 0.02 -2.12 -0.15 0.00 -1.68 0.00 0.00 37.83 33.91 2cqe s LYS 433 CO 0.28 -1.05 2.70 0.54 -0.76 0.00 0.00 175.35 177.06 2cqe n ARG 434 N 4.39 2.04 -4.50 1.68 3.00 -1.26 -2.90 116.66 119.12 2cqe n ARG 434 Ca 0.02 -1.18 -0.21 0.00 -0.01 0.00 0.00 57.85 56.47 2cqe n ARG 434 Cb 0.39 -2.18 -0.15 0.00 0.00 0.00 0.00 32.46 30.52 2cqe n ARG 434 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.63 175.63 2cqe s GLU 435 N 2.07 0.99 -0.15 5.56 -6.30 -1.26 -4.92 118.70 114.70 2cqe s GLU 435 Ca 0.51 -0.40 -0.31 0.00 -2.50 0.00 0.00 54.97 52.28 2cqe s GLU 435 Cb 0.20 -0.94 -0.08 0.00 0.00 0.00 0.00 34.13 33.30 2cqe s GLU 435 CO -0.02 0.22 2.10 -0.11 0.02 0.00 0.00 175.26 177.46 2cqe n LEU 436 N 2.94 3.39 -4.55 2.70 7.94 -1.26 -2.32 117.00 125.83 2cqe n LEU 436 Ca -0.15 0.55 -0.46 0.00 -1.11 0.00 0.00 56.01 54.83 2cqe n LEU 436 Cb 0.55 -1.48 -0.03 0.00 0.53 0.00 0.00 43.42 43.00 2cqe n LEU 436 CO 0.25 -0.35 0.51 0.00 -1.11 0.00 0.00 177.39 176.68 2cqe n LYS 438 N 1.05 0.56 -0.06 0.00 4.01 -1.26 -3.66 118.16 118.79 2cqe n LYS 438 Ca 0.13 0.03 -0.14 0.00 -0.51 0.00 0.00 58.31 57.81 2cqe n LYS 438 Cb 0.29 -1.50 -0.05 0.00 -0.51 0.00 0.00 35.03 33.26 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 -1.17 0.00 -0.43 2.13 3.72 -1.26 -4.60 117.46 115.85 2cqe n PHE 439 Ca 0.16 0.00 0.35 0.00 -0.05 0.00 0.00 57.45 57.91 2cqe n PHE 439 Cb 0.16 -0.46 0.64 0.00 -0.94 0.00 0.00 39.48 38.87 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 -0.49 0.52 -1.25 1.38 3.20 -1.82 0.21 116.97 118.71 2cqe h TYR 440 Ca -0.31 0.02 0.46 0.00 3.14 0.00 0.00 58.73 62.04 2cqe h TYR 440 Cb 1.22 -0.13 -0.15 0.00 1.54 0.00 0.00 36.73 39.20 2cqe h TYR 440 CO -0.06 -0.16 0.77 -0.89 -1.64 0.00 0.00 178.16 176.18 2cqe n ILE 441 N -4.66 -0.31 -0.11 1.81 5.41 -1.24 -0.39 119.36 119.88 2cqe n ILE 441 Ca 0.35 1.88 -0.15 0.00 1.00 0.00 0.00 62.75 65.84 2cqe n ILE 441 Cb 1.36 -3.07 -0.14 0.00 -0.71 0.00 0.00 39.64 37.08 2cqe n ILE 441 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 2cqe n THR 442 N -4.90 1.47 0.00 1.39 -2.24 0.70 -5.01 114.28 105.69 2cqe n THR 442 Ca 0.40 -0.69 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 2cqe n THR 442 Cb 1.48 -1.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.64 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 2.04 1.42 3.36 3.38 0.00 0.48 -5.06 105.19 110.82 2cqe n GLY 443 Ca -0.40 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.16 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 3.65 -0.33 1.61 5.36 -1.25 -4.91 117.98 120.10 2cqe s PHE 444 Ca 0.00 -1.92 0.01 0.00 -0.96 0.00 0.00 56.93 54.06 2cqe s PHE 444 Cb 0.00 -3.95 0.10 0.00 -0.34 0.00 0.00 43.02 38.84 2cqe s PHE 444 CO 0.00 -1.12 0.09 0.00 -1.46 0.00 0.00 175.22 172.74 2cqe n ALA 446 N 4.59 -0.48 -2.44 0.00 0.00 -1.26 -3.72 120.51 117.20 2cqe n ALA 446 Ca 0.00 0.64 -0.42 0.00 0.00 0.00 0.00 53.44 53.66 2cqe n ALA 446 Cb 0.42 -0.01 -0.03 0.00 0.00 0.00 0.00 19.45 19.83 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 -4.98 3.35 0.00 0.00 0.52 -1.26 -4.90 118.95 111.67 2cqe s ARG 447 Ca -0.09 0.38 0.00 0.00 -0.52 0.00 0.00 55.73 55.50 2cqe s ARG 447 Cb 0.08 -4.10 0.00 0.00 0.52 0.00 0.00 34.95 31.45 2cqe s ARG 447 CO 0.46 -1.88 0.00 0.00 0.02 0.00 0.00 175.30 173.90 2cqe n ALA 448 N 9.30 0.00 1.71 2.13 0.00 -1.24 -3.41 120.51 128.99 2cqe n ALA 448 Ca 0.11 -0.01 0.06 0.00 0.00 0.00 0.00 53.44 53.60 2cqe n ALA 448 Cb 0.49 0.00 0.28 0.00 0.00 0.00 0.00 19.45 20.22 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 -1.14 1.23 -0.00 0.00 2.13 -1.26 -3.07 120.64 118.53 2cqe n GLU 449 Ca 0.00 -0.36 0.06 0.00 0.66 0.00 0.00 57.16 57.52 2cqe n GLU 449 Cb 0.00 -1.21 -0.08 0.00 0.27 0.00 0.00 31.44 30.42 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 -0.32 0.88 -4.61 4.31 4.13 -1.26 -4.94 115.26 113.44 2cqe n ASN 450 Ca 0.09 -0.65 -0.43 0.00 1.68 0.00 0.00 54.58 55.28 2cqe n ASN 450 Cb 0.12 1.13 -0.03 0.00 -1.54 0.00 0.00 39.78 39.46 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 8.20 0.49 -3.01 0.00 -0.04 -1.26 -4.75 135.00 134.64 2cqe n PRO 452 Ca 0.21 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.48 2cqe n PRO 452 Cb 0.46 -1.28 0.05 0.00 -0.04 0.00 0.00 33.50 32.70 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 -2.00 1.75 0.10 0.54 1.51 -1.26 0.10 117.35 118.09 2cqe s TYR 453 Ca 0.13 -0.62 -0.19 0.00 -1.01 0.00 0.00 57.07 55.37 2cqe s TYR 453 Cb 0.06 -2.29 -0.07 0.00 -0.11 0.00 0.00 41.96 39.55 2cqe s TYR 453 CO 0.10 -1.01 0.60 -1.64 -1.11 0.00 0.00 175.55 172.49 2cqe s MET 454 N -4.61 4.21 0.00 -0.62 -1.94 -0.98 -4.90 119.30 110.46 2cqe s MET 454 Ca 0.60 0.76 0.00 0.00 -1.71 0.00 0.00 55.69 55.34 2cqe s MET 454 Cb -0.07 -3.18 0.00 0.00 2.01 0.00 0.00 34.83 33.60 2cqe s MET 454 CO 0.38 0.60 0.00 0.72 -0.01 0.00 0.00 175.02 176.70 2cqe n HIS 455 N 1.52 0.00 -0.01 -0.03 8.25 -1.26 -3.13 115.22 120.56 2cqe n HIS 455 Ca -0.09 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.37 2cqe n HIS 455 Cb 0.51 0.03 -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 0.00 -0.50 -1.41 0.00 -1.94 -3.36 103.07 95.86 2cqe h GLY 456 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 47.33 47.43 2cqe h GLY 456 CO 0.00 0.00 -0.12 1.22 0.00 0.00 0.00 176.54 177.64 2cqe n ASP 457 N -2.57 -0.17 -4.56 0.19 8.00 -1.26 -3.19 116.55 112.99 2cqe n ASP 457 Ca -0.00 0.85 -0.59 0.00 0.71 0.00 0.00 54.79 55.76 2cqe n ASP 457 Cb 0.00 -0.26 -0.08 0.00 -0.02 0.00 0.00 41.12 40.76 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 -4.80 0.99 -2.26 1.24 7.35 -1.26 -4.68 117.46 114.04 2cqe n PHE 458 Ca 0.08 0.99 -0.35 0.00 -0.76 0.00 0.00 57.45 57.41 2cqe n PHE 458 Cb 0.25 -2.16 0.00 0.00 0.35 0.00 0.00 39.48 37.92 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 0.64 3.36 0.35 -7.13 0.04 -1.26 -3.11 135.00 127.88 2cqe s PRO 459 Ca 0.92 1.61 -0.27 0.00 0.04 0.00 0.00 61.00 63.30 2cqe s PRO 459 Cb -1.25 -2.01 -0.09 0.00 0.04 0.00 0.00 34.50 31.20 2cqe s PRO 459 CO 0.59 -0.84 1.14 0.00 0.04 0.00 0.00 177.00 177.93 2cqe h LYS 461 N 3.16 -0.07 -0.48 0.00 3.64 -1.94 -3.31 116.57 117.56 2cqe h LYS 461 Ca -0.48 0.01 0.07 0.00 -1.27 0.00 0.00 60.65 58.98 2cqe h LYS 461 Cb 1.22 0.02 -0.09 0.00 -0.41 0.00 0.00 32.23 32.96 2cqe h LYS 461 CO 0.64 -0.05 -0.48 -0.07 -2.27 0.00 0.00 179.45 177.23 2cqe h LEU 462 N -0.37 -1.60 -0.87 5.20 3.38 -1.94 0.70 115.31 119.81 2cqe h LEU 462 Ca -0.01 0.24 0.15 0.00 0.09 0.00 0.00 57.88 58.35 2cqe h LEU 462 Cb 0.06 0.69 -0.02 0.00 0.09 0.00 0.00 40.66 41.48 2cqe h LEU 462 CO 0.01 -0.37 0.99 0.22 0.09 0.00 0.00 178.44 179.39 2cqe h TYR 463 N -0.31 0.00 0.00 1.13 3.20 -1.74 0.11 116.97 119.37 2cqe h TYR 463 Ca 0.13 0.00 -0.44 0.00 3.14 0.00 0.00 58.73 61.56 2cqe h TYR 463 Cb 0.58 0.00 -0.07 0.00 1.54 0.00 0.00 36.73 38.78 2cqe h TYR 463 CO -0.69 0.00 -2.41 0.72 -1.64 0.00 0.00 178.16 174.14 2cqe n HIS 464 N -3.01 0.10 -0.18 -3.82 8.25 0.21 -1.99 115.22 114.78 2cqe n HIS 464 Ca 0.12 0.04 0.06 0.00 -0.26 0.00 0.00 57.72 57.68 2cqe n HIS 464 Cb 1.16 -1.00 0.12 0.00 1.12 0.00 0.00 29.99 31.39 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 -4.27 -0.22 0.00 1.59 -2.24 0.73 -2.82 114.28 107.05 2cqe n THR 465 Ca -0.52 1.17 0.00 0.00 -2.27 0.00 0.00 64.05 62.43 2cqe n THR 465 Cb 0.86 -1.68 0.00 0.00 -2.10 0.00 0.00 70.33 67.41 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 -4.71 0.00 0.00 4.28 -2.24 -1.13 -5.06 114.28 105.42 2cqe n THR 466 Ca 0.11 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.89 2cqe n THR 466 Cb 0.35 -0.58 0.00 0.00 -2.10 0.00 0.00 70.33 68.00 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 2.23 2.41 3.61 3.38 0.00 -0.84 -5.10 105.19 110.89 2cqe n GLY 467 Ca 0.00 -0.37 -0.32 0.00 0.00 0.00 0.00 46.02 45.34 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 -0.19 4.71 -0.26 1.61 2.47 -1.23 -4.61 114.94 117.44 2cqe s ASN 468 Ca 0.00 -0.15 -0.07 0.00 0.42 0.00 0.00 52.86 53.05 2cqe s ASN 468 Cb 0.00 -1.10 -0.02 0.00 -1.45 0.00 0.00 41.25 38.68 2cqe s ASN 468 CO 0.00 0.26 0.08 0.00 -3.72 0.00 0.00 177.10 173.72 2cqe h ILE 470 N 5.61 0.62 -0.48 0.00 6.09 -1.99 -0.87 117.51 126.49 2cqe h ILE 470 Ca -0.37 -0.19 0.10 0.00 -1.37 0.00 0.00 64.86 63.03 2cqe h ILE 470 Cb 1.16 0.02 -0.09 0.00 0.47 0.00 0.00 36.82 38.38 2cqe h ILE 470 CO 0.59 0.10 -0.14 0.78 -3.07 0.00 0.00 178.15 176.40 2cqe h ASN 471 N 0.55 -0.52 0.00 2.19 4.21 -1.96 -3.48 115.58 116.56 2cqe h ASN 471 Ca 0.57 0.15 0.00 0.00 1.21 0.00 0.00 56.30 58.24 2cqe h ASN 471 Cb 1.20 0.33 0.00 0.00 -1.12 0.00 0.00 38.32 38.72 2cqe h ASN 471 CO -0.33 -0.18 0.00 0.61 -1.29 0.00 0.00 177.43 176.24 2cqe n GLY 472 N -1.37 -0.27 0.15 2.83 0.00 -0.33 -4.40 105.19 101.80 2cqe n GLY 472 Ca 0.04 -1.96 0.00 0.00 0.00 0.00 0.00 46.02 44.10 2cqe n GLY 472 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2cqe n ASP 473 N 0.00 0.30 -1.39 1.61 5.68 -1.26 -3.28 116.55 118.21 2cqe n ASP 473 Ca 0.00 -2.00 -0.05 0.00 -0.50 0.00 0.00 54.79 52.24 2cqe n ASP 473 Cb 0.00 -0.15 0.11 0.00 -1.14 0.00 0.00 41.12 39.94 2cqe n ASP 473 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 2cqe n ASP 474 N -0.35 2.74 -4.75 -1.12 8.00 -1.26 -5.06 116.55 114.75 2cqe n ASP 474 Ca 0.00 -3.48 -0.40 0.00 0.71 0.00 0.00 54.79 51.62 2cqe n ASP 474 Cb 0.08 -0.43 -0.06 0.00 -0.02 0.00 0.00 41.12 40.68 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 1.57 1.18 -4.28 0.00 0.00 -1.26 -4.80 117.12 109.53 2cqe n MET 476 Ca -0.02 -0.17 -0.15 0.00 0.00 0.00 0.00 57.70 57.36 2cqe n MET 476 Cb 0.47 -1.43 -0.10 0.00 0.00 0.00 0.00 33.22 32.16 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 -0.87 1.39 -0.07 3.17 0.08 -1.26 -4.87 117.98 115.56 2cqe s PHE 477 Ca 0.03 -0.78 -0.30 0.00 0.12 0.00 0.00 56.93 56.00 2cqe s PHE 477 Cb 0.02 -0.73 -0.02 0.00 -0.57 0.00 0.00 43.02 41.72 2cqe s PHE 477 CO 0.01 0.08 0.99 -1.12 -0.10 0.00 0.00 175.22 175.08 2cqe s SER 478 N -3.22 7.29 -0.37 1.36 0.01 -1.18 -4.87 113.70 112.71 2cqe s SER 478 Ca 0.20 1.57 0.07 0.00 1.31 0.00 0.00 55.95 59.11 2cqe s SER 478 Cb 0.03 -2.56 0.71 0.00 0.21 0.00 0.00 66.02 64.41 2cqe s SER 478 CO 0.03 -0.38 1.85 1.41 0.41 0.00 0.00 173.24 176.57 2cqe n HIS 479 N 4.60 2.71 -1.77 2.43 8.25 -1.26 -1.70 115.22 128.48 2cqe n HIS 479 Ca 0.08 -1.46 -0.33 0.00 -0.26 0.00 0.00 57.72 55.75 2cqe n HIS 479 Cb 0.50 -0.80 0.05 0.00 1.12 0.00 0.00 29.99 30.86 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 -1.10 5.12 -0.08 0.41 1.47 -1.26 -4.96 116.67 116.27 2cqe s ASP 480 Ca 0.55 2.01 -0.30 0.00 1.18 0.00 0.00 52.55 56.00 2cqe s ASP 480 Cb 0.45 -2.55 -0.04 0.00 -0.34 0.00 0.00 42.92 40.44 2cqe s ASP 480 CO 0.12 -1.63 1.51 -2.16 0.68 0.00 0.00 175.17 173.70 2cqe s PRO 481 N -4.07 4.21 0.04 2.11 0.04 -1.26 -4.90 135.00 131.17 2cqe s PRO 481 Ca 0.67 2.01 -0.37 0.00 0.04 0.00 0.00 61.00 63.35 2cqe s PRO 481 Cb -0.21 -3.88 -0.19 0.00 0.04 0.00 0.00 34.50 30.27 2cqe s PRO 481 CO 0.41 -0.78 0.95 1.28 0.04 0.00 0.00 177.00 178.90 2cqe n LEU 482 N 6.79 -0.26 -4.85 -3.56 4.77 -1.26 -4.95 117.00 113.67 2cqe n LEU 482 Ca 0.16 1.14 -0.23 0.00 -0.03 0.00 0.00 56.01 57.05 2cqe n LEU 482 Cb 0.43 -0.92 -0.04 0.00 -2.33 0.00 0.00 43.42 40.57 2cqe n LEU 482 CO 0.60 -2.11 -0.03 0.42 -1.33 0.00 0.00 177.39 174.94 2cqe s THR 483 N -0.20 2.30 0.41 -5.08 -4.23 -1.26 -4.87 115.64 102.71 2cqe s THR 483 Ca 0.85 -1.47 0.19 0.00 -1.18 0.00 0.00 61.69 60.07 2cqe s THR 483 Cb -1.19 -2.78 0.40 0.00 1.34 0.00 0.00 72.50 70.27 2cqe s THR 483 CO 0.56 0.00 1.79 -0.08 -0.54 0.00 0.00 174.62 176.36 2cqe h GLU 484 N 1.06 0.37 0.00 3.99 4.81 -2.00 0.26 114.58 123.07 2cqe h GLU 484 Ca -0.40 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.80 2cqe h GLU 484 Cb 1.27 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.57 2cqe h GLU 484 CO 0.61 0.24 0.00 -1.91 -0.73 0.00 0.00 179.01 177.22 2cqe n GLU 485 N -4.57 0.00 -0.31 1.92 4.07 -1.26 -3.88 120.64 116.62 2cqe n GLU 485 Ca 0.24 0.23 0.02 0.00 -0.06 0.00 0.00 57.16 57.59 2cqe n GLU 485 Cb 0.85 -0.77 0.07 0.00 -0.06 0.00 0.00 31.44 31.53 2cqe n GLU 485 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 2cqe n THR 486 N -1.20 -0.40 -0.35 6.31 -2.24 -1.18 0.95 114.28 116.17 2cqe n THR 486 Ca 0.00 1.90 0.13 0.00 -2.27 0.00 0.00 64.05 63.82 2cqe n THR 486 Cb 0.00 -2.56 0.27 0.00 -2.10 0.00 0.00 70.33 65.94 2cqe n THR 486 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 2cqe n ARG 487 N -5.26 -0.08 -0.16 -0.78 0.00 0.07 0.92 116.66 111.38 2cqe n ARG 487 Ca 0.10 1.51 -0.08 0.00 -0.00 0.00 0.00 57.85 59.38 2cqe n ARG 487 Cb 0.36 -2.37 0.00 0.00 0.00 0.00 0.00 32.46 30.45 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 0.68 -0.05 -0.14 4.22 0.47 -3.12 114.58 116.65 2cqe h GLU 488 Ca 0.59 -0.12 0.01 0.00 0.08 0.00 0.00 59.36 59.92 2cqe h GLU 488 Cb 1.17 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 30.28 2cqe h GLU 488 CO -0.95 0.61 -0.24 -0.07 -2.18 0.00 0.00 179.01 176.18 2cqe h LEU 489 N 0.60 -0.74 -0.99 1.64 3.38 0.74 -2.34 115.31 117.59 2cqe h LEU 489 Ca 0.15 0.09 0.14 0.00 0.09 0.00 0.00 57.88 58.35 2cqe h LEU 489 Cb 0.18 0.29 -0.15 0.00 0.09 0.00 0.00 40.66 41.07 2cqe h LEU 489 CO -0.01 -0.21 -0.43 -0.07 0.09 0.00 0.00 178.44 177.80 2cqe h LEU 490 N -0.26 -1.58 -0.98 1.67 3.38 -1.47 0.81 115.31 116.89 2cqe h LEU 490 Ca 0.01 0.31 0.33 0.00 0.09 0.00 0.00 57.88 58.63 2cqe h LEU 490 Cb 0.30 0.80 -0.16 0.00 0.09 0.00 0.00 40.66 41.68 2cqe h LEU 490 CO -0.18 -0.28 0.43 0.44 0.09 0.00 0.00 178.44 178.94 2cqe h ASP 491 N -0.00 0.23 0.05 -0.43 5.19 -1.36 0.42 116.42 120.51 2cqe h ASP 491 Ca 0.31 0.23 -0.00 0.00 -0.62 0.00 0.00 57.03 56.94 2cqe h ASP 491 Cb 0.56 0.25 0.00 0.00 0.18 0.00 0.00 39.33 40.32 2cqe h ASP 491 CO -0.98 -0.26 -0.02 0.50 -3.12 0.00 0.00 179.24 175.35 2cqe h LYS 492 N 0.16 -0.07 0.04 3.56 3.11 0.84 -2.40 116.57 121.81 2cqe h LYS 492 Ca 0.72 0.00 0.02 0.00 -2.81 0.00 0.00 60.65 58.59 2cqe h LYS 492 Cb 1.70 0.02 -0.05 0.00 -1.00 0.00 0.00 32.23 32.89 2cqe h LYS 492 CO -0.71 0.52 -0.49 1.98 -2.81 0.00 0.00 179.45 177.94 2cqe h MET 493 N -0.91 -0.64 0.30 1.90 4.05 0.70 0.23 114.93 120.55 2cqe h MET 493 Ca -0.01 0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.46 2cqe h MET 493 Cb 0.62 0.15 -0.02 0.00 -0.80 0.00 0.00 31.60 31.55 2cqe h MET 493 CO 0.01 -0.43 -0.30 -0.07 0.23 0.00 0.00 176.91 176.36 2cqe h LEU 494 N -0.67 -0.80 -0.14 3.39 3.38 -0.41 -2.74 115.31 117.33 2cqe h LEU 494 Ca 0.02 0.07 0.03 0.00 0.09 0.00 0.00 57.88 58.09 2cqe h LEU 494 Cb 0.71 0.27 -0.06 0.00 0.09 0.00 0.00 40.66 41.67 2cqe h LEU 494 CO -0.32 -0.43 -0.54 0.00 0.09 0.00 0.00 178.44 177.24 2cqe h ALA 495 N -0.06 -0.89 -0.98 1.53 0.00 -1.16 0.26 119.26 117.95 2cqe h ALA 495 Ca -0.01 -0.06 0.34 0.00 0.00 0.00 0.00 54.91 55.18 2cqe h ALA 495 Cb 0.57 1.01 -0.17 0.00 0.00 0.00 0.00 17.79 19.20 2cqe h ALA 495 CO -0.06 -1.09 0.35 0.22 0.00 0.00 0.00 179.25 178.68 2cqe h ASP 496 N -0.57 0.06 0.07 0.00 3.58 -0.44 0.20 116.42 119.33 2cqe h ASP 496 Ca 0.03 0.25 -0.00 0.00 0.42 0.00 0.00 57.03 57.73 2cqe h ASP 496 Cb 0.67 0.32 0.00 0.00 1.72 0.00 0.00 39.33 42.04 2cqe h ASP 496 CO -0.43 -0.34 -0.03 0.44 -2.88 0.00 0.00 179.24 175.99 2cqe h ASP 497 N 0.07 -0.08 -0.91 2.28 5.19 -0.78 -2.07 116.42 120.13 2cqe h ASP 497 Ca 0.72 0.00 0.30 0.00 -0.62 0.00 0.00 57.03 57.44 2cqe h ASP 497 Cb 1.73 0.02 -0.17 0.00 0.18 0.00 0.00 39.33 41.09 2cqe h ASP 497 CO -0.78 0.04 0.20 0.00 -3.12 0.00 0.00 179.24 175.57 2cqe n ALA 498 N -2.20 0.65 0.16 3.45 0.00 0.73 -0.14 120.51 123.15 2cqe n ALA 498 Ca -0.01 0.96 -0.13 0.00 0.00 0.00 0.00 53.44 54.26 2cqe n ALA 498 Cb 0.04 -0.80 -0.08 0.00 0.00 0.00 0.00 19.45 18.62 2cqe n ALA 498 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2cqe h GLU 499 N 0.00 -0.42 -0.90 0.00 4.81 -0.72 -3.30 114.58 114.06 2cqe h GLU 499 Ca 0.64 0.03 0.09 0.00 -0.13 0.00 0.00 59.36 59.99 2cqe h GLU 499 Cb 1.49 0.09 -0.11 0.00 0.63 0.00 0.00 28.75 30.85 2cqe h GLU 499 CO -0.80 -0.09 -0.50 0.00 -0.73 0.00 0.00 179.01 176.90 2cqe n ALA 500 N -2.53 -0.50 -3.64 2.92 0.00 0.80 -4.63 120.51 112.93 2cqe n ALA 500 Ca -0.09 0.78 -0.05 0.00 0.00 0.00 0.00 53.44 54.08 2cqe n ALA 500 Cb 0.27 -0.17 -0.07 0.00 0.00 0.00 0.00 19.45 19.49 2cqe n ALA 500 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2cqe s GLY 501 N -2.70 -0.31 0.31 0.00 0.00 -0.90 -5.11 107.32 98.62 2cqe s GLY 501 Ca -0.11 2.78 -0.06 0.00 0.00 0.00 0.00 44.72 47.33 2cqe s GLY 501 CO 0.57 2.46 0.60 0.00 0.00 0.00 0.00 173.10 176.73 2cqe s ALA 502 N 1.42 3.57 -0.08 3.20 0.00 -1.25 -4.64 121.76 123.97 2cqe s ALA 502 Ca -0.09 -0.49 -0.30 0.00 0.00 0.00 0.00 51.96 51.08 2cqe s ALA 502 Cb -0.04 -2.38 0.10 0.00 0.00 0.00 0.00 23.12 20.79 2cqe s ALA 502 CO -0.17 0.19 0.83 -2.00 0.00 0.00 0.00 175.76 174.62 2cqe s GLU 503 N -3.62 0.85 -1.18 0.00 2.12 -1.26 -4.97 118.70 110.63 2cqe s GLU 503 Ca 0.45 0.12 -0.04 0.00 0.36 0.00 0.00 54.97 55.86 2cqe s GLU 503 Cb -0.11 0.40 0.00 0.00 0.26 0.00 0.00 34.13 34.69 2cqe s GLU 503 CO 0.30 -0.28 1.01 -0.25 -0.54 0.00 0.00 175.26 175.50 2cqe n ASP 504 N 0.65 -3.97 -2.30 -1.70 9.92 -1.26 -4.91 116.55 112.99 2cqe n ASP 504 Ca -0.14 -0.54 -0.33 0.00 -0.53 0.00 0.00 54.79 53.25 2cqe n ASP 504 Cb 0.58 -4.75 0.07 0.00 -0.64 0.00 0.00 41.12 36.38 2cqe n ASP 504 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2cqe n GLU 505 N -4.28 2.85 -3.66 -1.24 1.02 -1.26 -4.92 120.64 109.15 2cqe n GLU 505 Ca -0.14 -3.45 -0.14 0.00 -0.02 0.00 0.00 57.16 53.42 2cqe n GLU 505 Cb 0.61 -2.29 -0.08 0.00 -0.02 0.00 0.00 31.44 29.66 2cqe n GLU 505 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2cqe s LYS 506 N -3.80 0.75 -0.14 3.49 1.02 -1.26 -5.14 119.74 114.65 2cqe s LYS 506 Ca 0.62 0.79 -0.25 0.00 0.02 0.00 0.00 55.97 57.15 2cqe s LYS 506 Cb 0.49 0.36 -0.02 0.00 -0.52 0.00 0.00 37.83 38.14 2cqe s LYS 506 CO -0.01 -0.11 0.79 -1.83 -0.92 0.00 0.00 175.35 173.27 2cqe s GLU 507 N 0.17 4.33 -1.19 1.68 1.03 -1.26 -4.97 118.70 118.48 2cqe s GLU 507 Ca -0.01 0.97 -0.21 0.00 0.03 0.00 0.00 54.97 55.75 2cqe s GLU 507 Cb -0.04 -3.55 -0.02 0.00 -0.80 0.00 0.00 34.13 29.73 2cqe s GLU 507 CO 0.02 -0.23 1.83 0.08 -1.33 0.00 0.00 175.26 175.62 2cqe s VAL 508 N 1.82 3.77 -0.72 1.83 1.01 -1.26 -4.90 120.40 121.96 2cqe s VAL 508 Ca 0.38 -1.23 -0.17 0.00 0.00 0.00 0.00 61.98 60.96 2cqe s VAL 508 Cb -0.17 -4.79 0.15 0.00 0.00 0.00 0.00 36.38 31.57 2cqe s VAL 508 CO 0.14 -1.44 0.77 -0.70 0.00 0.00 0.00 175.10 173.87 2cqe s GLU 509 N 5.59 3.31 0.63 2.72 2.12 -1.26 -5.04 118.70 126.76 2cqe s GLU 509 Ca 0.62 -1.81 -0.18 0.00 0.36 0.00 0.00 54.97 53.96 2cqe s GLU 509 Cb 0.01 -4.44 -0.03 0.00 0.26 0.00 0.00 34.13 29.93 2cqe s GLU 509 CO 0.09 -1.47 1.03 0.39 -0.54 0.00 0.00 175.26 174.75 2cqe n GLU 510 N 5.48 0.88 -0.13 4.30 1.02 -1.26 -4.97 120.64 125.96 2cqe n GLU 510 Ca 0.03 0.35 -0.06 0.00 -0.02 0.00 0.00 57.16 57.45 2cqe n GLU 510 Cb 0.45 -2.25 0.06 0.00 -0.02 0.00 0.00 31.44 29.68 2cqe n GLU 510 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2cqe n LEU 511 N -1.13 0.00 -2.09 -4.62 4.77 -1.26 -4.65 117.00 108.01 2cqe n LEU 511 Ca 0.14 -0.18 -0.08 0.00 -0.03 0.00 0.00 56.01 55.86 2cqe n LEU 511 Cb 0.48 -0.26 -0.11 0.00 -2.33 0.00 0.00 43.42 41.19 2cqe n LEU 511 CO 0.48 -1.72 1.27 2.29 -1.33 0.00 0.00 177.39 178.39 2cqe n LYS 512 N -1.76 1.41 -1.48 3.23 2.85 -1.26 -4.92 118.16 116.22 2cqe n LYS 512 Ca 0.03 -0.67 -0.58 0.00 -1.05 0.00 0.00 58.31 56.04 2cqe n LYS 512 Cb 0.13 -1.81 -0.08 0.00 -0.65 0.00 0.00 35.03 32.62 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 2.55 0.00 -3.59 -1.58 0.00 -1.26 -4.92 118.16 109.36 2cqe n LYS 513 Ca 0.29 0.00 -0.09 0.00 0.00 0.00 0.00 58.31 58.51 2cqe n LYS 513 Cb 0.65 -1.39 -0.02 0.00 0.00 0.00 0.00 35.03 34.27 2cqe n LYS 513 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 2cqe s SER 514 N 1.16 -0.41 -0.27 3.14 0.01 -1.26 -5.18 113.70 110.89 2cqe s SER 514 Ca 0.90 -0.21 -0.22 0.00 1.31 0.00 0.00 55.95 57.73 2cqe s SER 514 Cb -1.26 0.58 0.08 0.00 0.21 0.00 0.00 66.02 65.62 2cqe s SER 514 CO 0.62 -1.00 0.73 -0.83 0.41 0.00 0.00 173.24 173.18 2cqe s GLY 515 N -2.77 -0.54 0.61 3.44 0.00 -1.26 -5.17 107.32 101.63 2cqe s GLY 515 Ca 0.06 2.20 -0.10 0.00 0.00 0.00 0.00 44.72 46.88 2cqe s GLY 515 CO -0.05 1.96 0.54 -1.55 0.00 0.00 0.00 173.10 174.00 2cqe n PRO 516 N 3.16 -2.07 -4.52 2.90 -0.04 -1.26 -5.08 135.00 128.08 2cqe n PRO 516 Ca -0.16 -0.87 -0.25 0.00 -0.04 0.00 0.00 63.50 62.19 2cqe n PRO 516 Cb 0.56 -0.81 -0.14 0.00 -0.04 0.00 0.00 33.50 33.08 2cqe n PRO 516 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2cqe s SER 517 N -2.97 2.52 0.33 3.54 0.15 -1.26 -5.15 113.70 110.85 2cqe s SER 517 Ca 0.35 -0.58 0.09 0.00 0.70 0.00 0.00 55.95 56.51 2cqe s SER 517 Cb -0.03 -0.18 -0.05 0.00 -1.71 0.00 0.00 66.02 64.04 2cqe s SER 517 CO 0.27 0.13 0.03 -0.55 1.20 0.00 0.00 173.24 174.32 2cqe s SER 518 N -1.44 4.32 0.00 5.45 0.15 -1.26 -5.39 113.70 115.53 2cqe s SER 518 Ca 0.07 -0.89 0.00 0.00 0.70 0.00 0.00 55.95 55.83 2cqe s SER 518 Cb -0.09 -0.61 0.00 0.00 -1.71 0.00 0.00 66.02 63.61 2cqe s SER 518 CO 0.03 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 174.87