#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kdg s VAL 436 N 0.00 3.43 1.18 5.15 0.11 -1.26 -5.05 120.40 123.97 3kdg s VAL 436 Ca 0.00 1.24 -0.18 0.00 -2.93 0.00 0.00 61.98 60.11 3kdg s VAL 436 Cb 0.00 -3.79 0.28 0.00 -1.53 0.00 0.00 36.38 31.34 3kdg s VAL 436 CO 0.00 0.21 1.10 -2.84 -3.33 0.00 0.00 175.10 170.24 3kdg s PRO 437 N -0.47 -1.07 0.14 1.54 0.02 -1.26 -4.91 135.00 129.00 3kdg s PRO 437 Ca 0.52 0.03 -0.34 0.00 0.02 0.00 0.00 61.00 61.24 3kdg s PRO 437 Cb -0.34 -1.61 -0.16 0.00 0.02 0.00 0.00 34.50 32.41 3kdg s PRO 437 CO 0.39 -3.63 1.16 -0.89 -0.33 0.00 0.00 177.00 173.70 3kdg n ILE 438 N -4.72 0.71 -4.22 2.83 5.41 -1.26 -4.96 119.36 113.15 3kdg n ILE 438 Ca 0.12 -0.18 -0.34 0.00 1.00 0.00 0.00 62.75 63.35 3kdg n ILE 438 Cb 0.59 -0.74 -0.11 0.00 -0.71 0.00 0.00 39.64 38.67 3kdg n ILE 438 CO 0.00 0.00 0.00 -0.04 0.00 0.00 0.00 176.55 176.51 3kdg s MET 439 N -0.22 3.81 -0.20 0.38 -1.94 -1.26 -4.66 119.30 115.22 3kdg s MET 439 Ca 0.76 -0.43 -0.09 0.00 -1.71 0.00 0.00 55.69 54.22 3kdg s MET 439 Cb -0.91 -3.05 -0.04 0.00 2.01 0.00 0.00 34.83 32.84 3kdg s MET 439 CO 0.52 0.27 0.10 0.71 -0.01 0.00 0.00 175.02 176.60 3kdg s TYR 440 N 0.34 3.30 0.39 -0.03 2.02 0.04 -4.87 117.35 118.54 3kdg s TYR 440 Ca -0.01 0.14 -0.27 0.00 -0.37 0.00 0.00 57.07 56.57 3kdg s TYR 440 Cb -0.13 -2.14 -0.09 0.00 -0.40 0.00 0.00 41.96 39.19 3kdg s TYR 440 CO 0.02 0.15 1.38 -1.25 -1.57 0.00 0.00 175.55 174.28 3kdg s PRO 441 N 0.53 4.01 -0.21 -1.71 0.04 -1.26 -0.87 135.00 135.53 3kdg s PRO 441 Ca 0.05 2.33 0.02 0.00 0.04 0.00 0.00 61.00 63.44 3kdg s PRO 441 Cb -0.12 -2.85 -0.14 0.00 0.04 0.00 0.00 34.50 31.43 3kdg s PRO 441 CO 0.00 -0.52 -0.18 -0.89 0.04 0.00 0.00 177.00 175.45 3kdg n ILE 442 N 0.26 1.23 -3.76 0.56 5.41 0.11 -4.84 119.36 118.34 3kdg n ILE 442 Ca 0.03 -0.48 0.00 0.00 1.00 0.00 0.00 62.75 63.30 3kdg n ILE 442 Cb 0.42 -1.24 0.00 0.00 -0.71 0.00 0.00 39.64 38.11 3kdg n ILE 442 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3kdg n GLY 443 N 2.46 -0.87 3.32 7.39 0.00 -1.05 -5.01 105.19 111.42 3kdg n GLY 443 Ca -0.38 -1.05 -0.17 0.00 0.00 0.00 0.00 46.02 44.43 3kdg n GLY 443 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3kdg s GLN 444 N -1.51 1.31 -0.07 1.61 1.03 -1.26 -0.34 119.66 120.42 3kdg s GLN 444 Ca 0.00 -1.66 -0.07 0.00 0.04 0.00 0.00 55.36 53.67 3kdg s GLN 444 Cb 0.00 -0.56 0.02 0.00 0.03 0.00 0.00 33.01 32.50 3kdg s GLN 444 CO 0.00 -0.11 0.20 0.00 -2.54 0.00 0.00 175.29 172.85 3kdg s MET 445 N -3.87 0.28 -1.66 9.60 0.23 0.31 -4.91 119.30 119.27 3kdg s MET 445 Ca 0.28 0.21 0.00 0.00 -1.03 0.00 0.00 55.69 55.15 3kdg s MET 445 Cb 0.06 0.13 0.00 0.00 -1.53 0.00 0.00 34.83 33.49 3kdg s MET 445 CO 0.08 -0.04 0.00 0.72 -2.03 0.00 0.00 175.02 173.75 3kdg n HIS 446 N 2.78 0.00 -1.55 3.16 8.25 -1.26 -1.23 115.22 125.36 3kdg n HIS 446 Ca -0.14 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.14 3kdg n HIS 446 Cb 0.58 -3.10 -0.07 0.00 1.12 0.00 0.00 29.99 28.52 3kdg n HIS 446 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kdg n GLY 447 N -0.07 1.69 0.00 -1.41 0.00 -1.26 -4.78 105.19 99.36 3kdg n GLY 447 Ca -0.16 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.70 3kdg n GLY 447 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3kdg n THR 448 N -2.53 0.00 -5.18 2.61 -1.04 -0.37 -4.93 114.28 102.85 3kdg n THR 448 Ca -0.18 0.00 -0.29 0.00 -2.04 0.00 0.00 64.05 61.54 3kdg n THR 448 Cb 0.59 -0.30 -0.16 0.00 -1.82 0.00 0.00 70.33 68.65 3kdg n THR 448 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 3kdg s TYR 449 N -1.50 2.13 -0.14 -1.42 2.02 -0.73 -1.87 117.35 115.83 3kdg s TYR 449 Ca 0.00 -0.40 -0.05 0.00 -0.37 0.00 0.00 57.07 56.24 3kdg s TYR 449 Cb 0.00 -1.37 -0.04 0.00 -0.40 0.00 0.00 41.96 40.15 3kdg s TYR 449 CO 0.00 -0.03 0.05 0.42 -1.57 0.00 0.00 175.55 174.41 3kdg s ILE 450 N -0.56 4.67 -0.15 2.71 1.01 0.18 -0.53 121.20 128.52 3kdg s ILE 450 Ca 0.09 -0.09 -0.05 0.00 0.00 0.00 0.00 60.65 60.60 3kdg s ILE 450 Cb -0.09 -3.05 -0.04 0.00 0.01 0.00 0.00 42.46 39.30 3kdg s ILE 450 CO -0.01 0.53 0.03 -0.76 0.00 0.00 0.00 174.94 174.73 3kdg s LEU 451 N -0.20 3.65 0.16 2.97 1.43 0.53 -0.46 118.68 126.76 3kdg s LEU 451 Ca 0.07 0.07 -0.05 0.00 -1.03 0.00 0.00 54.13 53.19 3kdg s LEU 451 Cb -0.12 -1.89 -0.03 0.00 0.03 0.00 0.00 46.19 44.18 3kdg s LEU 451 CO 0.02 0.23 0.18 0.00 0.23 0.00 0.00 176.35 177.01 3kdg s ALA 452 N -0.01 0.49 0.03 4.21 0.00 -0.07 0.06 121.76 126.47 3kdg s ALA 452 Ca 0.04 -1.23 -0.11 0.00 0.00 0.00 0.00 51.96 50.66 3kdg s ALA 452 Cb -0.13 0.94 0.01 0.00 0.00 0.00 0.00 23.12 23.95 3kdg s ALA 452 CO 0.02 -0.59 0.23 1.14 0.00 0.00 0.00 175.76 176.56 3kdg s GLN 453 N -4.03 0.71 0.00 0.00 1.03 -0.05 -0.04 119.66 117.29 3kdg s GLN 453 Ca 0.23 -0.54 0.00 0.00 0.04 0.00 0.00 55.36 55.09 3kdg s GLN 453 Cb 0.05 0.30 0.00 0.00 0.03 0.00 0.00 33.01 33.39 3kdg s GLN 453 CO 0.03 -0.21 0.00 0.27 -2.54 0.00 0.00 175.29 172.84 3kdg n ASN 454 N 0.75 0.00 0.08 12.60 0.23 -0.89 -0.78 115.26 127.25 3kdg n ASN 454 Ca -0.19 -0.76 0.20 0.00 -0.53 0.00 0.00 54.58 53.29 3kdg n ASN 454 Cb 0.59 0.00 0.74 0.00 -2.08 0.00 0.00 39.78 39.02 3kdg n ASN 454 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 3kdg h GLU 455 N 0.00 0.00 0.00 -3.83 4.81 -2.00 -0.73 114.58 112.83 3kdg h GLU 455 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3kdg h GLU 455 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 3kdg h GLU 455 CO 0.00 0.00 -0.15 0.09 -0.73 0.00 0.00 179.01 178.22 3kdg n ASN 456 N -4.04 0.36 0.00 1.04 3.02 -1.26 -4.80 115.26 109.58 3kdg n ASN 456 Ca 0.07 0.36 0.00 0.00 -0.03 0.00 0.00 54.58 54.98 3kdg n ASN 456 Cb 0.55 -0.38 0.00 0.00 -0.61 0.00 0.00 39.78 39.33 3kdg n ASN 456 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kdg n GLY 457 N 1.43 0.41 3.74 7.41 0.00 -0.28 -1.65 105.19 116.25 3kdg n GLY 457 Ca 0.06 -1.76 -0.35 0.00 0.00 0.00 0.00 46.02 43.96 3kdg n GLY 457 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3kdg s LEU 458 N 0.00 3.97 -0.12 0.99 2.96 -0.17 -2.09 118.68 124.21 3kdg s LEU 458 Ca 0.00 0.24 0.03 0.00 -0.22 0.00 0.00 54.13 54.18 3kdg s LEU 458 Cb 0.00 -1.97 0.01 0.00 0.50 0.00 0.00 46.19 44.73 3kdg s LEU 458 CO 0.00 0.31 -0.21 -0.31 -1.32 0.00 0.00 176.35 174.83 3kdg s TYR 459 N -0.46 2.48 -0.23 5.38 1.51 0.95 -1.23 117.35 125.73 3kdg s TYR 459 Ca 0.10 -1.19 -0.04 0.00 -1.01 0.00 0.00 57.07 54.93 3kdg s TYR 459 Cb -0.12 -1.70 -0.01 0.00 -0.11 0.00 0.00 41.96 40.03 3kdg s TYR 459 CO 0.02 -0.54 -0.02 0.42 -1.11 0.00 0.00 175.55 174.32 3kdg s ILE 460 N 0.76 3.52 -0.14 2.71 1.01 0.38 -0.90 121.20 128.55 3kdg s ILE 460 Ca -0.09 -0.50 0.01 0.00 0.00 0.00 0.00 60.65 60.07 3kdg s ILE 460 Cb -0.16 -2.64 -0.00 0.00 0.01 0.00 0.00 42.46 39.67 3kdg s ILE 460 CO 0.00 0.37 -0.18 -0.63 0.00 0.00 0.00 174.94 174.50 3kdg s ILE 461 N 1.49 2.49 -0.45 2.92 1.01 0.39 -0.13 121.20 128.92 3kdg s ILE 461 Ca 0.05 -0.84 -0.29 0.00 0.00 0.00 0.00 60.65 59.57 3kdg s ILE 461 Cb -0.15 -2.02 0.02 0.00 0.01 0.00 0.00 42.46 40.32 3kdg s ILE 461 CO -0.02 0.53 1.19 -0.62 0.00 0.00 0.00 174.94 176.03 3kdg s ASP 462 N 0.67 6.60 0.24 3.58 -1.08 -0.60 -0.65 116.67 125.44 3kdg s ASP 462 Ca -0.09 0.60 -0.05 0.00 -0.52 0.00 0.00 52.55 52.50 3kdg s ASP 462 Cb -0.16 -2.55 0.39 0.00 -1.46 0.00 0.00 42.92 39.15 3kdg s ASP 462 CO 0.02 -1.26 1.80 1.56 0.52 0.00 0.00 175.17 177.81 3kdg h GLN 463 N 9.44 0.71 -0.41 4.34 4.20 -1.70 -1.68 115.11 130.01 3kdg h GLN 463 Ca -0.24 -0.04 -0.07 0.00 0.06 0.00 0.00 58.65 58.36 3kdg h GLN 463 Cb 1.07 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.67 3kdg h GLN 463 CO 1.11 0.47 -0.01 1.25 -0.67 0.00 0.00 178.83 180.99 3kdg h HIS 464 N 0.73 0.80 -0.50 2.96 2.76 -1.92 -1.41 115.15 118.58 3kdg h HIS 464 Ca 0.39 -0.14 -0.12 0.00 -2.20 0.00 0.00 60.37 58.29 3kdg h HIS 464 Cb 0.38 -0.21 -0.01 0.00 1.55 0.00 0.00 27.41 29.12 3kdg h HIS 464 CO -0.07 0.81 -0.18 0.00 -1.30 0.00 0.00 177.93 177.19 3kdg h ALA 465 N 0.89 0.69 -0.46 5.26 0.00 -1.87 -2.61 119.26 121.15 3kdg h ALA 465 Ca 0.12 -0.38 0.04 0.00 0.00 0.00 0.00 54.91 54.69 3kdg h ALA 465 Cb 0.49 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 3kdg h ALA 465 CO 0.02 0.65 0.24 0.00 0.00 0.00 0.00 179.25 180.16 3kdg h ALA 466 N 0.88 0.58 -0.07 0.00 0.00 -1.13 -1.80 119.26 117.73 3kdg h ALA 466 Ca 0.12 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 3kdg h ALA 466 Cb 0.75 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 3kdg h ALA 466 CO 0.06 -0.11 -0.14 1.96 0.00 0.00 0.00 179.25 181.02 3kdg h GLN 467 N 0.47 0.11 -0.00 0.00 4.20 -1.12 -1.19 115.11 117.58 3kdg h GLN 467 Ca 0.20 -0.02 -0.20 0.00 0.06 0.00 0.00 58.65 58.69 3kdg h GLN 467 Cb 0.10 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.86 3kdg h GLN 467 CO -0.14 0.25 -0.88 0.93 -0.67 0.00 0.00 178.83 178.33 3kdg h GLU 468 N 0.11 0.26 -0.55 1.46 5.08 -1.04 -1.86 114.58 118.03 3kdg h GLU 468 Ca 0.02 -0.27 -0.11 0.00 -1.00 0.00 0.00 59.36 58.00 3kdg h GLU 468 Cb 0.31 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 3kdg h GLU 468 CO 0.02 0.98 -0.08 -0.09 -1.00 0.00 0.00 179.01 178.84 3kdg h ARG 469 N 0.15 1.01 -0.51 2.33 9.65 -0.71 0.55 114.38 126.85 3kdg h ARG 469 Ca -0.05 -0.35 -0.05 0.00 -1.10 0.00 0.00 59.98 58.42 3kdg h ARG 469 Cb 1.50 -0.07 -0.02 0.00 -1.39 0.00 0.00 29.97 29.98 3kdg h ARG 469 CO 0.14 1.04 0.10 0.82 2.80 0.00 0.00 179.97 184.87 3kdg h ILE 470 N 0.90 1.25 -0.40 1.20 2.04 -1.19 -2.00 117.51 119.32 3kdg h ILE 470 Ca 0.15 -0.89 -0.12 0.00 1.00 0.00 0.00 64.86 64.99 3kdg h ILE 470 Cb 0.64 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 37.55 3kdg h ILE 470 CO 0.04 0.32 -0.24 0.11 0.00 0.00 0.00 178.15 178.38 3kdg h LYS 471 N 0.71 0.80 -0.54 2.37 1.57 -1.17 -2.95 116.57 117.36 3kdg h LYS 471 Ca 0.16 -0.34 0.02 0.00 -1.87 0.00 0.00 60.65 58.62 3kdg h LYS 471 Cb 0.36 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.61 3kdg h LYS 471 CO 0.01 0.96 0.34 -0.92 -0.57 0.00 0.00 179.45 179.27 3kdg h TYR 472 N 0.70 0.64 -0.90 -1.35 3.20 -0.65 -0.53 116.97 118.07 3kdg h TYR 472 Ca 0.09 0.02 0.08 0.00 3.14 0.00 0.00 58.73 62.06 3kdg h TYR 472 Cb 0.76 -0.21 -0.06 0.00 1.54 0.00 0.00 36.73 38.76 3kdg h TYR 472 CO 0.04 0.38 0.58 0.93 -1.64 0.00 0.00 178.16 178.46 3kdg h GLU 473 N 0.68 0.94 0.38 1.82 4.39 -1.20 0.18 114.58 121.78 3kdg h GLU 473 Ca 0.21 -0.06 -0.02 0.00 0.34 0.00 0.00 59.36 59.84 3kdg h GLU 473 Cb -0.02 -0.21 0.00 0.00 -0.10 0.00 0.00 28.75 28.42 3kdg h GLU 473 CO -0.07 0.62 -0.18 -0.92 -1.16 0.00 0.00 179.01 177.29 3kdg h TYR 474 N 0.97 -0.48 -0.20 4.33 3.20 -1.34 -3.13 116.97 120.33 3kdg h TYR 474 Ca 0.40 -0.01 -0.08 0.00 3.14 0.00 0.00 58.73 62.19 3kdg h TYR 474 Cb 0.29 0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.71 3kdg h TYR 474 CO -0.00 -0.15 -0.21 0.74 -1.64 0.00 0.00 178.16 176.90 3kdg h PHE 475 N -0.85 0.38 -0.71 -3.82 0.04 -0.56 -1.60 116.94 109.83 3kdg h PHE 475 Ca -0.05 -0.07 -0.00 0.00 2.80 0.00 0.00 57.97 60.65 3kdg h PHE 475 Cb 0.54 -0.10 -0.03 0.00 2.20 0.00 0.00 35.95 38.56 3kdg h PHE 475 CO 0.02 0.54 0.43 -0.09 -0.60 0.00 0.00 178.31 178.60 3kdg h ARG 476 N 0.32 0.95 -0.08 1.51 9.65 -0.74 -1.07 114.38 124.92 3kdg h ARG 476 Ca 0.05 -0.08 -0.03 0.00 -1.10 0.00 0.00 59.98 58.83 3kdg h ARG 476 Cb 0.55 -0.20 -0.00 0.00 -1.39 0.00 0.00 29.97 28.92 3kdg h ARG 476 CO 0.04 0.67 -0.05 1.49 2.80 0.00 0.00 179.97 184.92 3kdg h GLU 477 N 0.97 0.18 -0.59 0.20 4.81 -1.26 -3.23 114.58 115.67 3kdg h GLU 477 Ca 0.25 -0.08 0.04 0.00 -0.13 0.00 0.00 59.36 59.45 3kdg h GLU 477 Cb -0.04 -0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.29 3kdg h GLU 477 CO -0.05 0.55 0.33 0.87 -0.73 0.00 0.00 179.01 179.98 3kdg h LYS 478 N -0.20 0.60 0.00 1.92 1.79 -0.98 -0.37 116.57 119.34 3kdg h LYS 478 Ca 0.02 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.45 3kdg h LYS 478 Cb 0.50 -0.14 0.00 0.00 -1.58 0.00 0.00 32.23 31.02 3kdg h LYS 478 CO 0.01 0.40 0.00 1.33 -1.08 0.00 0.00 179.45 180.11 3kdg n VAL 479 N -4.81 1.05 1.29 0.50 0.24 -0.44 -2.16 118.33 114.00 3kdg n VAL 479 Ca 0.06 0.30 0.14 0.00 -2.04 0.00 0.00 64.34 62.80 3kdg n VAL 479 Cb 0.13 -1.16 0.50 0.00 -1.47 0.00 0.00 33.84 31.85 3kdg n VAL 479 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3kdg n GLY 480 N -0.26 -0.91 3.73 7.63 0.00 -0.15 -4.72 105.19 110.52 3kdg n GLY 480 Ca 0.02 -0.31 -0.41 0.00 0.00 0.00 0.00 46.02 45.33 3kdg n GLY 480 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kdg s GLU 481 N -2.57 4.66 0.15 1.61 2.02 -0.92 -4.96 118.70 118.70 3kdg s GLU 481 Ca 0.25 1.40 -0.05 0.00 0.02 0.00 0.00 54.97 56.59 3kdg s GLU 481 Cb 0.19 -3.38 -0.00 0.00 0.10 0.00 0.00 34.13 31.04 3kdg s GLU 481 CO 0.51 0.19 1.40 0.28 0.02 0.00 0.00 175.26 177.67 3kdg h VAL 482 N 4.13 1.34 -2.74 2.63 2.07 -1.90 -3.38 116.25 118.39 3kdg h VAL 482 Ca -0.43 -2.05 -0.60 0.00 0.82 0.00 0.00 66.70 64.45 3kdg h VAL 482 Cb 1.21 2.03 -0.39 0.00 -1.52 0.00 0.00 31.29 32.61 3kdg h VAL 482 CO 0.72 0.63 -0.81 -1.83 0.02 0.00 0.00 177.57 176.30 3kdg s GLU 483 N -3.70 1.09 0.79 1.57 -1.05 -1.26 -5.07 118.70 111.07 3kdg s GLU 483 Ca -0.07 -1.95 -0.12 0.00 -0.15 0.00 0.00 54.97 52.69 3kdg s GLU 483 Cb 0.10 -1.93 0.06 0.00 -0.44 0.00 0.00 34.13 31.92 3kdg s GLU 483 CO 0.86 -1.23 1.11 -1.25 0.95 0.00 0.00 175.26 175.70 3kdg s PRO 484 N 0.34 2.18 0.17 -4.83 0.04 -1.26 -5.00 135.00 126.65 3kdg s PRO 484 Ca 0.22 0.48 -0.31 0.00 0.04 0.00 0.00 61.00 61.42 3kdg s PRO 484 Cb -0.16 -1.94 -0.09 0.00 0.04 0.00 0.00 34.50 32.34 3kdg s PRO 484 CO -0.05 -1.52 1.48 -2.00 0.04 0.00 0.00 177.00 174.95 3kdg s GLU 485 N -5.28 4.26 0.12 4.56 2.12 -1.26 -4.99 118.70 118.24 3kdg s GLU 485 Ca 0.61 2.26 0.07 0.00 0.36 0.00 0.00 54.97 58.26 3kdg s GLU 485 Cb -0.13 -3.17 -0.04 0.00 0.26 0.00 0.00 34.13 31.05 3kdg s GLU 485 CO 0.53 -0.50 -0.08 0.08 -0.54 0.00 0.00 175.26 174.75 3kdg s VAL 486 N 0.83 3.45 -0.07 3.70 1.01 -1.26 -1.45 120.40 126.61 3kdg s VAL 486 Ca 0.66 -1.32 0.01 0.00 0.00 0.00 0.00 61.98 61.32 3kdg s VAL 486 Cb -0.41 -2.65 0.02 0.00 0.00 0.00 0.00 36.38 33.34 3kdg s VAL 486 CO 0.34 0.05 -0.07 -1.58 0.00 0.00 0.00 175.10 173.84 3kdg s GLN 487 N -2.40 1.19 0.37 2.72 0.74 0.83 -4.70 119.66 118.41 3kdg s GLN 487 Ca 0.23 -0.19 -0.28 0.00 0.05 0.00 0.00 55.36 55.17 3kdg s GLN 487 Cb -0.11 -1.19 -0.10 0.00 1.10 0.00 0.00 33.01 32.72 3kdg s GLN 487 CO 0.15 -0.13 1.34 -2.00 -0.55 0.00 0.00 175.29 174.10 3kdg s GLU 488 N 1.19 4.16 0.30 1.67 2.12 -1.26 -1.74 118.70 125.14 3kdg s GLU 488 Ca -0.06 2.26 -0.27 0.00 0.36 0.00 0.00 54.97 57.26 3kdg s GLU 488 Cb -0.14 -2.93 -0.10 0.00 0.26 0.00 0.00 34.13 31.23 3kdg s GLU 488 CO -0.02 -0.37 0.96 -1.64 -0.54 0.00 0.00 175.26 173.66 3kdg s MET 489 N -2.02 4.64 0.04 4.30 -1.94 0.23 -4.93 119.30 119.62 3kdg s MET 489 Ca 0.53 1.43 -0.20 0.00 -1.71 0.00 0.00 55.69 55.74 3kdg s MET 489 Cb -0.40 -2.96 -0.15 0.00 2.01 0.00 0.00 34.83 33.32 3kdg s MET 489 CO 0.53 0.31 1.30 0.82 -0.01 0.00 0.00 175.02 177.98 3kdg h ILE 490 N 2.78 1.37 -3.50 2.53 1.08 -1.94 -3.41 117.51 116.42 3kdg h ILE 490 Ca -0.46 -1.48 -0.68 0.00 -0.39 0.00 0.00 64.86 61.85 3kdg h ILE 490 Cb 1.20 1.99 -0.37 0.00 -3.07 0.00 0.00 36.82 36.57 3kdg h ILE 490 CO 0.66 0.44 -0.49 -0.69 -0.69 0.00 0.00 178.15 177.38 3kdg s VAL 491 N -4.08 3.24 0.77 1.67 1.01 -1.26 -5.09 120.40 116.66 3kdg s VAL 491 Ca -0.14 -2.94 -0.15 0.00 0.00 0.00 0.00 61.98 58.76 3kdg s VAL 491 Cb 0.05 -3.17 0.04 0.00 0.00 0.00 0.00 36.38 33.30 3kdg s VAL 491 CO 0.77 -0.82 1.06 -2.65 0.00 0.00 0.00 175.10 173.47 3kdg n PRO 492 N 3.54 0.37 -4.20 2.72 -0.02 -1.26 -5.02 135.00 131.12 3kdg n PRO 492 Ca 0.06 0.19 -0.26 0.00 -2.02 0.00 0.00 63.50 61.47 3kdg n PRO 492 Cb 0.37 -2.32 -0.08 0.00 -0.02 0.00 0.00 33.50 31.45 3kdg n PRO 492 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3kdg s LEU 493 N -4.20 3.33 -0.02 2.45 1.43 -0.70 -4.95 118.68 116.02 3kdg s LEU 493 Ca 0.73 -0.40 0.08 0.00 -1.03 0.00 0.00 54.13 53.51 3kdg s LEU 493 Cb -0.32 -1.98 -0.02 0.00 0.03 0.00 0.00 46.19 43.91 3kdg s LEU 493 CO 0.51 0.08 -0.25 -0.89 0.23 0.00 0.00 176.35 176.03 3kdg s THR 494 N -1.77 1.98 -0.02 5.49 2.01 -1.26 -1.27 115.64 120.80 3kdg s THR 494 Ca 0.28 -1.07 0.03 0.00 0.31 0.00 0.00 61.69 61.24 3kdg s THR 494 Cb -0.09 -1.65 -0.00 0.00 0.01 0.00 0.00 72.50 70.77 3kdg s THR 494 CO 0.19 0.56 -0.11 -0.36 -0.69 0.00 0.00 174.62 174.21 3kdg s PHE 495 N -0.54 1.07 -0.02 4.92 0.08 0.56 -5.00 117.98 119.05 3kdg s PHE 495 Ca 0.08 -0.25 0.08 0.00 0.12 0.00 0.00 56.93 56.96 3kdg s PHE 495 Cb -0.10 -0.73 -0.02 0.00 -0.57 0.00 0.00 43.02 41.60 3kdg s PHE 495 CO -0.00 -0.08 -0.25 -1.01 -0.10 0.00 0.00 175.22 173.77 3kdg s HIS 496 N 0.03 2.26 0.18 0.36 3.76 -1.26 -1.05 115.29 119.56 3kdg s HIS 496 Ca -0.01 -0.43 0.02 0.00 -0.15 0.00 0.00 55.06 54.50 3kdg s HIS 496 Cb -0.08 -1.45 -0.05 0.00 1.11 0.00 0.00 32.58 32.11 3kdg s HIS 496 CO 0.00 -0.04 -0.01 0.71 -0.85 0.00 0.00 174.74 174.56 3kdg s TYR 497 N -0.59 1.25 0.83 1.40 2.02 0.21 -5.02 117.35 117.44 3kdg s TYR 497 Ca 0.10 -0.98 -0.11 0.00 -0.37 0.00 0.00 57.07 55.71 3kdg s TYR 497 Cb -0.10 -0.71 0.09 0.00 -0.40 0.00 0.00 41.96 40.84 3kdg s TYR 497 CO -0.01 -0.16 1.09 -1.54 -1.57 0.00 0.00 175.55 173.36 3kdg s SER 498 N -3.19 4.13 0.23 2.29 1.04 -1.26 -4.72 113.70 112.22 3kdg s SER 498 Ca 0.23 1.48 -0.06 0.00 0.48 0.00 0.00 55.95 58.08 3kdg s SER 498 Cb 0.06 -2.20 0.33 0.00 0.10 0.00 0.00 66.02 64.31 3kdg s SER 498 CO 0.04 -2.22 1.81 0.74 0.98 0.00 0.00 173.24 174.58 3kdg h THR 499 N -1.26 0.93 -0.12 2.02 2.02 -1.98 -0.78 112.91 113.75 3kdg h THR 499 Ca -0.47 -0.26 -0.17 0.00 0.77 0.00 0.00 66.41 66.29 3kdg h THR 499 Cb 1.27 0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 67.79 3kdg h THR 499 CO 0.56 0.14 -0.62 0.78 0.37 0.00 0.00 175.52 176.74 3kdg h ASN 500 N 0.75 0.50 -0.54 4.18 2.35 -2.00 -2.38 115.58 118.43 3kdg h ASN 500 Ca 0.35 -0.29 -0.05 0.00 -0.55 0.00 0.00 56.30 55.77 3kdg h ASN 500 Cb 0.28 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.48 3kdg h ASN 500 CO -0.22 0.99 0.16 -0.33 -1.65 0.00 0.00 177.43 176.38 3kdg h GLU 501 N 0.32 0.85 -0.52 0.81 5.08 -1.78 -2.53 114.58 116.82 3kdg h GLU 501 Ca -0.01 -0.19 -0.03 0.00 -1.00 0.00 0.00 59.36 58.12 3kdg h GLU 501 Cb 1.17 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.27 3kdg h GLU 501 CO 0.11 0.79 0.18 0.00 -1.00 0.00 0.00 179.01 179.09 3kdg h ALA 502 N 1.03 1.35 0.04 3.43 0.00 -1.06 0.09 119.26 124.13 3kdg h ALA 502 Ca 0.17 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.94 3kdg h ALA 502 Cb 0.30 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 3kdg h ALA 502 CO -0.00 0.48 -0.15 -0.07 0.00 0.00 0.00 179.25 179.50 3kdg h LEU 503 N 0.74 -0.44 -0.89 0.00 3.38 -1.20 0.14 115.31 117.05 3kdg h LEU 503 Ca 0.18 0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.24 3kdg h LEU 503 Cb 0.19 0.18 -0.05 0.00 0.09 0.00 0.00 40.66 41.06 3kdg h LEU 503 CO -0.01 -0.22 0.57 0.40 0.09 0.00 0.00 178.44 179.27 3kdg h ILE 504 N -0.28 1.15 -0.29 1.22 2.04 -0.97 -0.19 117.51 120.20 3kdg h ILE 504 Ca 0.04 -0.38 -0.01 0.00 1.00 0.00 0.00 64.86 65.50 3kdg h ILE 504 Cb 0.32 -0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.32 3kdg h ILE 504 CO -0.12 0.20 0.15 0.40 0.00 0.00 0.00 178.15 178.78 3kdg h ILE 505 N 1.12 1.14 -0.90 -0.67 2.04 -0.66 -2.34 117.51 117.23 3kdg h ILE 505 Ca 0.35 -0.38 -0.02 0.00 1.00 0.00 0.00 64.86 65.81 3kdg h ILE 505 Cb -0.01 0.87 -0.04 0.00 -0.74 0.00 0.00 36.82 36.90 3kdg h ILE 505 CO -0.11 0.14 0.48 -0.33 0.00 0.00 0.00 178.15 178.33 3kdg h GLU 506 N 0.34 1.26 -0.07 2.37 4.39 -0.57 -1.87 114.58 120.42 3kdg h GLU 506 Ca 0.10 -0.15 0.02 0.00 0.34 0.00 0.00 59.36 59.67 3kdg h GLU 506 Cb 0.09 -0.24 -0.00 0.00 -0.10 0.00 0.00 28.75 28.49 3kdg h GLU 506 CO -0.01 0.92 0.06 0.37 -1.16 0.00 0.00 179.01 179.18 3kdg h GLN 507 N 1.26 0.00 -0.44 2.33 4.15 -0.68 -2.86 115.11 118.87 3kdg h GLN 507 Ca 0.31 0.00 -0.19 0.00 0.77 0.00 0.00 58.65 59.55 3kdg h GLN 507 Cb 0.04 0.00 -0.11 0.00 0.21 0.00 0.00 27.48 27.61 3kdg h GLN 507 CO -0.05 0.00 0.06 0.72 -1.93 0.00 0.00 178.83 177.63 3kdg n HIS 508 N -4.39 1.40 -0.21 3.99 8.25 -0.73 -4.72 115.22 118.81 3kdg n HIS 508 Ca -0.01 -1.45 -0.00 0.00 -0.26 0.00 0.00 57.72 55.99 3kdg n HIS 508 Cb 0.16 -0.53 0.11 0.00 1.12 0.00 0.00 29.99 30.86 3kdg n HIS 508 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 3kdg h LYS 509 N 1.27 0.48 -0.27 -0.41 1.79 -1.26 -0.35 116.57 117.83 3kdg h LYS 509 Ca 0.23 -0.03 -0.03 0.00 -2.18 0.00 0.00 60.65 58.65 3kdg h LYS 509 Cb 1.82 -0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 32.35 3kdg h LYS 509 CO 0.47 0.32 0.06 1.96 -1.08 0.00 0.00 179.45 181.18 3kdg h GLN 510 N 0.49 0.43 -0.44 3.15 1.08 -1.87 -1.86 115.11 116.09 3kdg h GLN 510 Ca 0.31 -0.11 0.01 0.00 -1.45 0.00 0.00 58.65 57.42 3kdg h GLN 510 Cb 0.35 -0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 27.70 3kdg h GLN 510 CO -0.27 0.53 0.28 0.93 -0.95 0.00 0.00 178.83 179.34 3kdg h GLU 511 N 0.26 0.55 -0.41 1.46 3.07 -1.81 -1.56 114.58 116.13 3kdg h GLU 511 Ca 0.08 -0.03 -0.06 0.00 -0.50 0.00 0.00 59.36 58.85 3kdg h GLU 511 Cb 0.29 -0.12 -0.02 0.00 -0.84 0.00 0.00 28.75 28.06 3kdg h GLU 511 CO 0.00 0.36 0.02 -0.07 -1.40 0.00 0.00 179.01 177.92 3kdg h LEU 512 N 0.56 0.69 -1.54 1.33 3.38 -1.02 -2.58 115.31 116.14 3kdg h LEU 512 Ca 0.17 -0.30 -0.03 0.00 0.09 0.00 0.00 57.88 57.81 3kdg h LEU 512 Cb -0.03 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 3kdg h LEU 512 CO -0.05 0.82 -0.02 -0.33 0.09 0.00 0.00 178.44 178.94 3kdg h GLU 513 N 0.55 0.27 0.00 1.13 5.08 -1.23 -0.74 114.58 119.64 3kdg h GLU 513 Ca 0.12 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 3kdg h GLU 513 Cb 0.45 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.65 3kdg h GLU 513 CO 0.02 0.31 -0.04 0.66 -1.00 0.00 0.00 179.01 178.96 3kdg h SER 514 N 0.26 0.00 -0.40 1.42 4.64 -0.87 -2.13 113.55 116.47 3kdg h SER 514 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 3kdg h SER 514 Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 3kdg h SER 514 CO 0.01 0.04 0.00 1.33 -0.87 0.00 0.00 176.83 177.34 3kdg n VAL 515 N -3.22 1.28 -0.20 0.95 0.24 -0.89 -4.79 118.33 111.71 3kdg n VAL 515 Ca -0.01 -1.16 0.00 0.00 -2.04 0.00 0.00 64.34 61.13 3kdg n VAL 515 Cb 0.24 0.35 0.00 0.00 -1.47 0.00 0.00 33.84 32.95 3kdg n VAL 515 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3kdg n GLY 516 N 0.52 0.90 3.37 7.63 0.00 -0.80 -5.01 105.19 111.80 3kdg n GLY 516 Ca 0.16 -0.04 -0.45 0.00 0.00 0.00 0.00 46.02 45.69 3kdg n GLY 516 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kdg s VAL 517 N -2.00 5.18 -0.87 1.61 1.01 -0.33 -4.38 120.40 120.61 3kdg s VAL 517 Ca 0.00 -1.12 -0.09 0.00 0.00 0.00 0.00 61.98 60.78 3kdg s VAL 517 Cb 0.00 -4.21 0.22 0.00 0.00 0.00 0.00 36.38 32.39 3kdg s VAL 517 CO 0.00 -0.69 0.79 -0.36 0.00 0.00 0.00 175.10 174.84 3kdg s PHE 518 N 1.76 3.84 0.18 5.22 0.08 -1.26 -3.14 117.98 124.67 3kdg s PHE 518 Ca 0.05 -2.47 -0.29 0.00 0.12 0.00 0.00 56.93 54.34 3kdg s PHE 518 Cb -0.25 -3.61 -0.08 0.00 -0.57 0.00 0.00 43.02 38.51 3kdg s PHE 518 CO 0.06 -0.91 0.92 -0.51 -0.10 0.00 0.00 175.22 174.68 3kdg s LEU 519 N -0.47 4.59 -0.17 -0.37 1.43 -1.26 -4.46 118.68 117.96 3kdg s LEU 519 Ca 0.22 1.85 0.01 0.00 -1.03 0.00 0.00 54.13 55.18 3kdg s LEU 519 Cb -0.12 -3.55 0.03 0.00 0.03 0.00 0.00 46.19 42.58 3kdg s LEU 519 CO -0.08 0.09 -0.15 -1.61 0.23 0.00 0.00 176.35 174.83 3kdg s GLU 520 N -0.75 2.42 0.17 1.70 2.02 -0.51 -4.96 118.70 118.78 3kdg s GLU 520 Ca 0.42 -0.73 -0.31 0.00 0.02 0.00 0.00 54.97 54.38 3kdg s GLU 520 Cb -0.25 -2.33 -0.09 0.00 0.10 0.00 0.00 34.13 31.57 3kdg s GLU 520 CO 0.30 -0.29 1.40 0.45 0.02 0.00 0.00 175.26 177.15 3kdg s SER 521 N 1.40 6.78 -0.42 -0.19 0.15 -1.26 -1.07 113.70 119.08 3kdg s SER 521 Ca 0.03 2.46 0.03 0.00 0.70 0.00 0.00 55.95 59.16 3kdg s SER 521 Cb -0.14 -2.60 0.16 0.00 -1.71 0.00 0.00 66.02 61.73 3kdg s SER 521 CO -0.11 -0.65 0.30 0.72 1.20 0.00 0.00 173.24 174.70 3kdg s PHE 522 N 0.62 1.32 0.02 3.44 -0.12 -0.58 -4.93 117.98 117.76 3kdg s PHE 522 Ca 0.62 -2.22 0.00 0.00 -0.05 0.00 0.00 56.93 55.28 3kdg s PHE 522 Cb -0.39 -1.21 0.00 0.00 -0.63 0.00 0.00 43.02 40.79 3kdg s PHE 522 CO 0.35 -0.80 0.00 0.41 -0.05 0.00 0.00 175.22 175.13 3kdg n GLY 523 N 3.22 -1.83 3.48 1.99 0.00 -1.26 -4.47 105.19 106.33 3kdg n GLY 523 Ca 0.21 -1.32 -0.45 0.00 0.00 0.00 0.00 46.02 44.46 3kdg n GLY 523 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3kdg n SER 524 N -0.53 1.84 -0.61 1.61 7.64 -1.26 -2.43 113.62 119.88 3kdg n SER 524 Ca 0.00 0.13 -0.08 0.00 1.01 0.00 0.00 58.87 59.93 3kdg n SER 524 Cb 0.04 -1.28 -0.03 0.00 -1.01 0.00 0.00 64.21 61.92 3kdg n SER 524 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3kdg n ASN 525 N 11.57 -4.63 -4.26 6.43 3.02 -1.26 -4.90 115.26 121.23 3kdg n ASN 525 Ca 0.45 0.20 -0.26 0.00 -0.03 0.00 0.00 54.58 54.93 3kdg n ASN 525 Cb 0.28 -2.83 -0.14 0.00 -0.61 0.00 0.00 39.78 36.47 3kdg n ASN 525 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 3kdg s SER 526 N -2.55 2.56 0.03 6.41 0.01 -1.02 -0.62 113.70 118.53 3kdg s SER 526 Ca 0.00 -0.52 -0.00 0.00 1.31 0.00 0.00 55.95 56.74 3kdg s SER 526 Cb 0.00 -0.22 -0.03 0.00 0.21 0.00 0.00 66.02 65.98 3kdg s SER 526 CO 0.00 0.18 -0.03 -0.31 0.41 0.00 0.00 173.24 173.49 3kdg s TYR 527 N -0.77 0.39 0.16 2.43 1.51 -0.22 -1.52 117.35 119.32 3kdg s TYR 527 Ca 0.08 -0.72 0.10 0.00 -1.01 0.00 0.00 57.07 55.52 3kdg s TYR 527 Cb -0.09 -0.28 -0.04 0.00 -0.11 0.00 0.00 41.96 41.44 3kdg s TYR 527 CO 0.02 -0.25 -0.23 0.96 -1.11 0.00 0.00 175.55 174.94 3kdg s ILE 528 N -2.35 2.09 -0.15 2.71 -4.36 -0.23 -0.32 121.20 118.58 3kdg s ILE 528 Ca -0.07 -1.87 0.00 0.00 -0.26 0.00 0.00 60.65 58.45 3kdg s ILE 528 Cb -0.03 -1.93 -0.00 0.00 1.25 0.00 0.00 42.46 41.74 3kdg s ILE 528 CO -0.04 -0.12 -0.15 -0.69 0.24 0.00 0.00 174.94 174.18 3kdg s VAL 529 N -1.57 2.71 -0.36 8.37 1.01 -0.40 -1.43 120.40 128.74 3kdg s VAL 529 Ca 0.16 -0.76 0.05 0.00 0.00 0.00 0.00 61.98 61.43 3kdg s VAL 529 Cb -0.08 -2.14 -0.02 0.00 0.00 0.00 0.00 36.38 34.14 3kdg s VAL 529 CO 0.07 0.52 0.35 0.54 0.00 0.00 0.00 175.10 176.58 3kdg n ARG 530 N 3.98 3.53 -3.80 2.72 1.74 -1.26 -1.71 116.66 121.86 3kdg n ARG 530 Ca -0.19 -0.27 -0.07 0.00 -0.77 0.00 0.00 57.85 56.54 3kdg n ARG 530 Cb 0.52 -0.84 -0.02 0.00 -1.02 0.00 0.00 32.46 31.10 3kdg n ARG 530 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3kdg s HIS 532 N -3.86 -0.25 0.46 0.00 -3.43 -0.71 -4.56 115.29 102.96 3kdg s HIS 532 Ca 0.10 0.02 -0.25 0.00 -0.80 0.00 0.00 55.06 54.13 3kdg s HIS 532 Cb -0.05 0.59 -0.08 0.00 -1.43 0.00 0.00 32.58 31.61 3kdg s HIS 532 CO 0.04 -0.70 1.40 -2.30 -2.00 0.00 0.00 174.74 171.18 3kdg n PRO 533 N -0.36 2.12 0.29 -0.38 -0.02 -1.26 -0.12 135.00 135.27 3kdg n PRO 533 Ca -0.08 0.76 0.16 0.00 -2.02 0.00 0.00 63.50 62.32 3kdg n PRO 533 Cb 0.61 -2.59 0.91 0.00 -0.02 0.00 0.00 33.50 32.41 3kdg n PRO 533 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kdg h ALA 534 N 2.12 1.33 -0.12 3.55 0.00 -1.53 -2.64 119.26 121.97 3kdg h ALA 534 Ca -0.50 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.37 3kdg h ALA 534 Cb 1.28 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.06 3kdg h ALA 534 CO 0.60 0.05 0.00 -2.67 0.00 0.00 0.00 179.25 177.23 3kdg n TRP 535 N -3.61 0.14 -1.69 0.00 4.27 -1.26 -4.89 117.44 110.40 3kdg n TRP 535 Ca -0.02 -0.07 -0.41 0.00 -3.89 0.00 0.00 57.50 53.10 3kdg n TRP 535 Cb 0.13 0.00 0.01 0.00 -1.36 0.00 0.00 31.31 30.09 3kdg n TRP 535 CO 0.00 0.00 0.00 1.19 -2.29 0.00 0.00 177.69 176.59 3kdg n PHE 536 N 0.46 2.07 -1.68 -2.67 3.01 -1.00 -4.85 117.46 112.81 3kdg n PHE 536 Ca 0.17 0.52 -0.46 0.00 1.01 0.00 0.00 57.45 58.70 3kdg n PHE 536 Cb 0.39 -2.37 -0.04 0.00 -0.01 0.00 0.00 39.48 37.45 3kdg n PHE 536 CO 0.00 0.00 0.00 -2.30 1.01 0.00 0.00 176.76 175.47 3kdg n PRO 537 N 0.19 2.38 -1.72 -1.08 -0.02 -1.26 -4.85 135.00 128.65 3kdg n PRO 537 Ca 0.06 0.87 -0.42 0.00 -2.02 0.00 0.00 63.50 61.99 3kdg n PRO 537 Cb 0.39 -2.73 -0.03 0.00 -0.02 0.00 0.00 33.50 31.11 3kdg n PRO 537 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 3kdg n LYS 538 N 5.97 2.68 -0.49 -0.52 4.81 -1.26 -2.36 118.16 126.99 3kdg n LYS 538 Ca 0.20 0.96 0.00 0.00 -0.87 0.00 0.00 58.31 58.61 3kdg n LYS 538 Cb 0.32 -2.78 0.00 0.00 0.02 0.00 0.00 35.03 32.59 3kdg n LYS 538 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3kdg n GLY 539 N 3.40 1.52 0.26 3.14 0.00 -1.26 -4.83 105.19 107.42 3kdg n GLY 539 Ca 0.14 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.23 3kdg n GLY 539 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kdg n GLU 540 N -2.00 0.93 -0.13 1.61 1.02 -0.99 -4.80 120.64 116.28 3kdg n GLU 540 Ca 0.00 -2.20 -0.09 0.00 -0.02 0.00 0.00 57.16 54.85 3kdg n GLU 540 Cb 0.00 -1.21 -0.01 0.00 -0.02 0.00 0.00 31.44 30.20 3kdg n GLU 540 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 3kdg h GLU 541 N 0.09 0.58 -0.22 3.49 3.07 -1.88 -1.96 114.58 117.76 3kdg h GLU 541 Ca -0.01 -0.11 0.02 0.00 -0.50 0.00 0.00 59.36 58.76 3kdg h GLU 541 Cb 1.13 -0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 28.93 3kdg h GLU 541 CO 0.00 0.56 0.08 0.00 -1.40 0.00 0.00 179.01 178.25 3kdg h ALA 542 N 0.99 0.24 -0.50 3.43 0.00 -1.94 -0.29 119.26 121.18 3kdg h ALA 542 Ca 0.13 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 3kdg h ALA 542 Cb 0.20 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3kdg h ALA 542 CO -0.01 -0.34 0.03 0.93 0.00 0.00 0.00 179.25 179.86 3kdg h GLU 543 N 0.18 0.87 -0.41 0.00 3.07 -1.92 -2.68 114.58 113.69 3kdg h GLU 543 Ca 0.09 -0.26 -0.02 0.00 -0.50 0.00 0.00 59.36 58.67 3kdg h GLU 543 Cb 0.06 -0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 27.86 3kdg h GLU 543 CO -0.09 0.89 0.18 1.25 -1.40 0.00 0.00 179.01 179.84 3kdg h LEU 544 N 0.74 0.54 -0.59 1.33 5.85 -0.99 -0.49 115.31 121.70 3kdg h LEU 544 Ca 0.15 -0.14 -0.03 0.00 0.84 0.00 0.00 57.88 58.70 3kdg h LEU 544 Cb 0.48 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.34 3kdg h LEU 544 CO 0.02 0.53 0.27 0.40 -0.34 0.00 0.00 178.44 179.32 3kdg h ILE 545 N 0.52 1.22 -0.72 4.05 2.04 -1.05 0.70 117.51 124.27 3kdg h ILE 545 Ca 0.14 -0.64 -0.06 0.00 1.00 0.00 0.00 64.86 65.29 3kdg h ILE 545 Cb 0.14 0.54 -0.03 0.00 -0.74 0.00 0.00 36.82 36.74 3kdg h ILE 545 CO -0.02 0.26 0.20 -0.08 0.00 0.00 0.00 178.15 178.51 3kdg h GLU 546 N 0.81 1.13 -0.51 2.37 4.81 -1.34 -1.14 114.58 120.71 3kdg h GLU 546 Ca 0.20 -0.25 -0.09 0.00 -0.13 0.00 0.00 59.36 59.09 3kdg h GLU 546 Cb 0.15 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 3kdg h GLU 546 CO -0.02 0.98 -0.03 1.49 -0.73 0.00 0.00 179.01 180.70 3kdg h GLU 547 N 1.08 0.92 -0.30 1.92 4.81 -0.49 -1.75 114.58 120.77 3kdg h GLU 547 Ca 0.23 -0.31 -0.04 0.00 -0.13 0.00 0.00 59.36 59.11 3kdg h GLU 547 Cb 0.34 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.63 3kdg h GLU 547 CO -0.00 0.96 0.02 0.82 -0.73 0.00 0.00 179.01 180.08 3kdg h ILE 548 N 0.79 1.25 -0.86 2.32 2.04 -0.57 -2.11 117.51 120.36 3kdg h ILE 548 Ca 0.14 -0.87 0.01 0.00 1.00 0.00 0.00 64.86 65.14 3kdg h ILE 548 Cb 0.56 1.23 -0.04 0.00 -0.74 0.00 0.00 36.82 37.83 3kdg h ILE 548 CO 0.03 0.28 0.57 0.40 0.00 0.00 0.00 178.15 179.44 3kdg h ILE 549 N 0.32 1.21 -0.03 -0.67 2.04 -1.16 -2.30 117.51 116.93 3kdg h ILE 549 Ca 0.09 -0.40 -0.09 0.00 1.00 0.00 0.00 64.86 65.46 3kdg h ILE 549 Cb 0.39 -0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.41 3kdg h ILE 549 CO 0.01 0.21 -0.42 -0.61 0.00 0.00 0.00 178.15 177.34 3kdg h GLN 550 N 1.16 0.07 -0.70 2.37 5.75 -1.05 -1.04 115.11 121.66 3kdg h GLN 550 Ca 0.32 -0.03 -0.06 0.00 -0.15 0.00 0.00 58.65 58.73 3kdg h GLN 550 Cb -0.12 -0.00 -0.03 0.00 1.07 0.00 0.00 27.48 28.40 3kdg h GLN 550 CO -0.07 0.48 0.20 0.37 -2.65 0.00 0.00 178.83 177.16 3kdg h GLN 551 N 0.06 1.10 -0.35 1.69 5.75 -0.83 -0.65 115.11 121.88 3kdg h GLN 551 Ca 0.00 -0.24 -0.06 0.00 -0.15 0.00 0.00 58.65 58.21 3kdg h GLN 551 Cb 0.77 -0.16 -0.01 0.00 1.07 0.00 0.00 27.48 29.15 3kdg h GLN 551 CO 0.06 0.94 -0.01 0.28 -2.65 0.00 0.00 178.83 177.45 3kdg h VAL 552 N 1.05 1.26 -0.93 2.39 2.07 -1.00 -1.84 116.25 119.25 3kdg h VAL 552 Ca 0.23 -0.99 -0.01 0.00 0.82 0.00 0.00 66.70 66.75 3kdg h VAL 552 Cb 0.32 1.21 -0.04 0.00 -1.52 0.00 0.00 31.29 31.25 3kdg h VAL 552 CO -0.00 0.33 0.55 -0.07 0.02 0.00 0.00 177.57 178.39 3kdg h LEU 553 N 0.43 1.12 -0.48 2.57 3.38 -1.00 -1.21 115.31 120.12 3kdg h LEU 553 Ca 0.10 -0.07 -0.17 0.00 0.09 0.00 0.00 57.88 57.82 3kdg h LEU 553 Cb 0.47 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 3kdg h LEU 553 CO 0.02 0.87 -0.66 0.44 0.09 0.00 0.00 178.44 179.20 3kdg h ASP 554 N 1.28 0.47 1.29 -0.43 3.32 -1.02 -3.11 116.42 118.22 3kdg h ASP 554 Ca 0.33 -0.29 -0.10 0.00 0.02 0.00 0.00 57.03 56.99 3kdg h ASP 554 Cb -0.04 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.36 3kdg h ASP 554 CO -0.06 1.00 -0.47 0.28 -1.72 0.00 0.00 179.24 178.27 3kdg h SER 555 N 0.29 0.00 0.00 6.45 0.02 -1.14 -3.47 113.55 115.71 3kdg h SER 555 Ca -0.02 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 3kdg h SER 555 Cb 1.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.75 3kdg h SER 555 CO 0.11 0.47 0.00 0.29 -1.14 0.00 0.00 176.83 176.57 3kdg n LYS 556 N -3.31 0.00 -3.67 3.45 5.02 -0.47 -4.69 118.16 114.48 3kdg n LYS 556 Ca 0.01 0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.15 3kdg n LYS 556 Cb 0.67 -0.27 -0.15 0.00 -0.02 0.00 0.00 35.03 35.27 3kdg n LYS 556 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 3kdg s ASN 557 N 0.00 0.50 -0.06 4.39 3.84 -1.26 -4.98 114.94 117.37 3kdg s ASN 557 Ca 0.00 0.44 -0.09 0.00 0.21 0.00 0.00 52.86 53.42 3kdg s ASN 557 Cb 0.00 0.43 0.02 0.00 -0.55 0.00 0.00 41.25 41.15 3kdg s ASN 557 CO 0.00 -0.23 0.22 -0.51 -2.79 0.00 0.00 177.10 173.78 3kdg s ILE 558 N 2.22 0.03 0.48 -5.21 2.07 -1.26 -5.15 121.20 114.37 3kdg s ILE 558 Ca 0.01 -0.21 0.06 0.00 -1.41 0.00 0.00 60.65 59.10 3kdg s ILE 558 Cb -0.12 -0.38 0.03 0.00 0.13 0.00 0.00 42.46 42.12 3kdg s ILE 558 CO -0.07 -0.11 0.66 1.51 -1.91 0.00 0.00 174.94 175.01 3kdg s ASP 559 N -0.38 5.47 0.14 4.50 -4.77 -1.26 -4.94 116.67 115.43 3kdg s ASP 559 Ca -0.05 -0.35 -0.18 0.00 -3.30 0.00 0.00 52.55 48.67 3kdg s ASP 559 Cb -0.03 -0.61 0.02 0.00 -1.09 0.00 0.00 42.92 41.21 3kdg s ASP 559 CO 0.01 -0.95 1.74 0.40 0.70 0.00 0.00 175.17 177.07 3kdg h ILE 560 N 0.41 0.88 -0.34 2.11 2.04 -1.97 -1.73 117.51 118.90 3kdg h ILE 560 Ca -0.39 -0.06 0.03 0.00 1.00 0.00 0.00 64.86 65.44 3kdg h ILE 560 Cb 1.28 0.69 -0.03 0.00 -0.74 0.00 0.00 36.82 38.02 3kdg h ILE 560 CO 0.46 0.03 0.13 0.50 0.00 0.00 0.00 178.15 179.28 3kdg h LYS 561 N 0.17 0.28 -0.35 2.37 3.64 -1.99 0.58 116.57 121.27 3kdg h LYS 561 Ca 0.13 -0.02 -0.13 0.00 -1.27 0.00 0.00 60.65 59.37 3kdg h LYS 561 Cb 0.13 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.87 3kdg h LYS 561 CO -0.17 0.18 -0.29 -0.22 -2.27 0.00 0.00 179.45 176.69 3kdg h LYS 562 N 0.29 0.74 -0.42 1.90 3.64 -1.92 -2.71 116.57 118.09 3kdg h LYS 562 Ca 0.15 -0.33 -0.13 0.00 -1.27 0.00 0.00 60.65 59.07 3kdg h LYS 562 Cb 0.11 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 3kdg h LYS 562 CO -0.14 0.94 -0.26 1.25 -2.27 0.00 0.00 179.45 178.97 3kdg h LEU 563 N 0.63 0.92 -0.55 5.20 5.85 -0.87 -1.65 115.31 124.84 3kdg h LEU 563 Ca 0.08 -0.36 0.06 0.00 0.84 0.00 0.00 57.88 58.49 3kdg h LEU 563 Cb 0.81 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 41.53 3kdg h LEU 563 CO 0.07 1.12 0.26 0.03 -0.34 0.00 0.00 178.44 179.58 3kdg h ARG 564 N 0.76 0.48 0.16 1.25 3.08 -0.85 0.99 114.38 120.25 3kdg h ARG 564 Ca 0.09 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.11 3kdg h ARG 564 Cb 0.82 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.76 3kdg h ARG 564 CO 0.07 0.32 -0.08 1.49 -1.07 0.00 0.00 179.97 180.70 3kdg h GLU 565 N 0.50 -0.20 -0.78 0.04 4.57 -1.29 -1.25 114.58 116.17 3kdg h GLU 565 Ca 0.25 0.01 0.01 0.00 -1.18 0.00 0.00 59.36 58.45 3kdg h GLU 565 Cb 0.20 0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 28.80 3kdg h GLU 565 CO -0.20 -0.11 0.51 0.93 -1.18 0.00 0.00 179.01 178.97 3kdg h GLU 566 N -0.24 1.02 -0.51 1.92 3.07 -1.07 -2.02 114.58 116.76 3kdg h GLU 566 Ca -0.02 -0.06 -0.09 0.00 -0.50 0.00 0.00 59.36 58.69 3kdg h GLU 566 Cb 0.19 -0.23 -0.02 0.00 -0.84 0.00 0.00 28.75 27.85 3kdg h GLU 566 CO 0.04 0.68 -0.02 0.00 -1.40 0.00 0.00 179.01 178.30 3kdg h ALA 567 N 1.28 0.69 -0.59 3.43 0.00 -0.68 -1.70 119.26 121.69 3kdg h ALA 567 Ca 0.28 -0.30 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 3kdg h ALA 567 Cb -0.12 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 3kdg h ALA 567 CO -0.06 0.52 0.08 0.00 0.00 0.00 0.00 179.25 179.79 3kdg h ALA 568 N 0.93 1.02 -0.50 0.00 0.00 -1.05 0.20 119.26 119.86 3kdg h ALA 568 Ca 0.14 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 54.80 3kdg h ALA 568 Cb 0.55 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 3kdg h ALA 568 CO 0.03 0.62 0.32 0.82 0.00 0.00 0.00 179.25 181.04 3kdg h ILE 569 N 0.91 1.10 -0.64 0.00 2.04 -1.16 -0.86 117.51 118.90 3kdg h ILE 569 Ca 0.18 -0.22 -0.02 0.00 1.00 0.00 0.00 64.86 65.80 3kdg h ILE 569 Cb 0.42 0.40 -0.03 0.00 -0.74 0.00 0.00 36.82 36.87 3kdg h ILE 569 CO 0.01 0.12 0.31 0.24 0.00 0.00 0.00 178.15 178.83 3kdg h MET 570 N 0.64 0.91 -0.42 2.37 2.86 -0.60 -2.45 114.93 118.24 3kdg h MET 570 Ca 0.19 -0.13 -0.05 0.00 -2.06 0.00 0.00 59.70 57.64 3kdg h MET 570 Cb -0.05 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 31.43 3kdg h MET 570 CO -0.06 0.72 0.04 0.52 1.06 0.00 0.00 176.91 179.19 3kdg h MET 571 N 0.87 0.67 0.00 1.72 2.86 -0.71 -2.93 114.93 117.40 3kdg h MET 571 Ca 0.22 -0.15 -0.02 0.00 -2.06 0.00 0.00 59.70 57.69 3kdg h MET 571 Cb 0.10 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 31.67 3kdg h MET 571 CO -0.03 0.66 -0.09 0.66 1.06 0.00 0.00 176.91 179.17 3kdg h SER 572 N 0.64 0.00 0.37 1.22 4.64 -0.69 -2.55 113.55 117.18 3kdg h SER 572 Ca 0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 3kdg h SER 572 Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 3kdg h SER 572 CO 0.01 0.09 -0.31 0.00 -0.87 0.00 0.00 176.83 175.75 3kdg s LYS 574 N -2.69 1.07 0.00 0.00 -0.14 -0.96 -4.99 119.74 112.03 3kdg s LYS 574 Ca 0.20 -0.47 0.00 0.00 -1.36 0.00 0.00 55.97 54.34 3kdg s LYS 574 Cb 0.19 -1.97 0.00 0.00 -1.68 0.00 0.00 37.83 34.37 3kdg s LYS 574 CO 0.58 -2.08 0.00 0.41 -0.76 0.00 0.00 175.35 173.50 3kdg n GLY 575 N -3.50 1.53 0.00 -3.33 0.00 -1.26 -5.08 105.19 93.56 3kdg n GLY 575 Ca 0.14 -2.00 0.00 0.00 0.00 0.00 0.00 46.02 44.16 3kdg n GLY 575 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3kdg n SER 576 N 0.00 1.75 -1.33 1.61 7.64 -1.26 -5.21 113.62 116.82 3kdg n SER 576 Ca 0.00 -0.30 0.16 0.00 1.01 0.00 0.00 58.87 59.73 3kdg n SER 576 Cb 0.00 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.14 3kdg n SER 576 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 3kdg n ARG 581 N -0.04 -2.74 -2.43 1.43 1.85 -1.26 -5.32 116.66 108.16 3kdg n ARG 581 Ca 0.00 2.09 -0.35 0.00 -1.00 0.00 0.00 57.85 58.58 3kdg n ARG 581 Cb 0.00 -3.33 -0.02 0.00 -1.05 0.00 0.00 32.46 28.06 3kdg n ARG 581 CO 0.00 0.00 0.00 -1.01 -0.01 0.00 0.00 177.63 176.61 3kdg s HIS 582 N -3.48 2.94 0.26 2.89 3.76 -1.26 -4.88 115.29 115.52 3kdg s HIS 582 Ca 0.00 1.57 -0.29 0.00 -0.15 0.00 0.00 55.06 56.19 3kdg s HIS 582 Cb 0.00 -3.18 -0.09 0.00 1.11 0.00 0.00 32.58 30.42 3kdg s HIS 582 CO 0.00 -1.09 1.23 -0.51 -0.85 0.00 0.00 174.74 173.51 3kdg s LEU 583 N -3.35 4.47 0.92 0.89 1.43 -1.26 -5.03 118.68 116.74 3kdg s LEU 583 Ca 0.67 2.41 -0.11 0.00 -1.03 0.00 0.00 54.13 56.06 3kdg s LEU 583 Cb -0.21 -3.63 0.14 0.00 0.03 0.00 0.00 46.19 42.53 3kdg s LEU 583 CO 0.25 -0.39 1.09 -0.13 0.23 0.00 0.00 176.35 177.41 3kdg s ARG 584 N -1.01 1.05 0.33 1.70 0.52 -1.26 -4.82 118.95 115.46 3kdg s ARG 584 Ca 0.50 0.97 0.03 0.00 -0.52 0.00 0.00 55.73 56.72 3kdg s ARG 584 Cb -0.35 -1.77 0.56 0.00 0.52 0.00 0.00 34.95 33.91 3kdg s ARG 584 CO 0.43 -2.43 1.86 -0.91 0.02 0.00 0.00 175.30 174.27 3kdg h ASN 585 N -1.69 0.53 0.17 0.23 2.35 -1.99 -1.08 115.58 114.10 3kdg h ASN 585 Ca -0.49 -0.10 -0.12 0.00 -0.55 0.00 0.00 56.30 55.04 3kdg h ASN 585 Cb 1.28 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 39.50 3kdg h ASN 585 CO 0.52 0.60 -0.42 -2.24 -1.65 0.00 0.00 177.43 174.23 3kdg h ASP 586 N 0.54 0.34 -0.33 5.81 2.03 -1.99 -2.01 116.42 120.80 3kdg h ASP 586 Ca 0.11 -0.15 -0.13 0.00 -0.73 0.00 0.00 57.03 56.13 3kdg h ASP 586 Cb 0.35 -0.09 -0.01 0.00 -0.83 0.00 0.00 39.33 38.74 3kdg h ASP 586 CO 0.01 0.73 -0.28 -0.33 -1.03 0.00 0.00 179.24 178.33 3kdg h GLU 587 N 0.27 0.85 -0.40 4.15 5.08 -1.73 -1.29 114.58 121.50 3kdg h GLU 587 Ca 0.02 -0.38 -0.12 0.00 -1.00 0.00 0.00 59.36 57.88 3kdg h GLU 587 Cb 0.86 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.08 3kdg h GLU 587 CO 0.07 1.02 -0.23 0.82 -1.00 0.00 0.00 179.01 179.69 3kdg h ILE 588 N 0.72 1.28 -0.44 3.13 2.04 -1.06 -1.87 117.51 121.32 3kdg h ILE 588 Ca 0.08 -1.38 -0.09 0.00 1.00 0.00 0.00 64.86 64.47 3kdg h ILE 588 Cb 0.83 1.29 -0.01 0.00 -0.74 0.00 0.00 36.82 38.19 3kdg h ILE 588 CO 0.07 0.46 -0.07 0.11 0.00 0.00 0.00 178.15 178.73 3kdg h LYS 589 N 0.69 0.81 -0.55 2.37 1.79 -1.33 -1.71 116.57 118.64 3kdg h LYS 589 Ca 0.09 -0.29 -0.01 0.00 -2.18 0.00 0.00 60.65 58.25 3kdg h LYS 589 Cb 0.80 -0.06 -0.03 0.00 -1.58 0.00 0.00 32.23 31.37 3kdg h LYS 589 CO 0.07 0.91 0.29 0.00 -1.08 0.00 0.00 179.45 179.64 3kdg h ALA 590 N 0.88 0.71 -0.26 3.86 0.00 -1.19 -1.08 119.26 122.17 3kdg h ALA 590 Ca 0.12 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3kdg h ALA 590 Cb 0.59 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3kdg h ALA 590 CO 0.04 0.24 0.15 1.25 0.00 0.00 0.00 179.25 180.93 3kdg h LEU 591 N 0.74 0.32 -0.67 0.00 6.46 -1.24 0.30 115.31 121.22 3kdg h LEU 591 Ca 0.19 -0.08 -0.02 0.00 -0.12 0.00 0.00 57.88 57.85 3kdg h LEU 591 Cb 0.07 -0.08 -0.03 0.00 -0.73 0.00 0.00 40.66 39.89 3kdg h LEU 591 CO -0.03 0.31 0.34 -0.07 -0.62 0.00 0.00 178.44 178.37 3kdg h LEU 592 N 0.31 0.87 -0.33 2.25 3.38 -1.08 0.13 115.31 120.83 3kdg h LEU 592 Ca 0.09 -0.12 -0.13 0.00 0.09 0.00 0.00 57.88 57.81 3kdg h LEU 592 Cb 0.06 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 3kdg h LEU 592 CO -0.02 0.74 -0.30 -0.78 0.09 0.00 0.00 178.44 178.18 3kdg h ASP 593 N 0.93 0.84 -0.30 -0.43 1.82 -1.05 -2.42 116.42 115.81 3kdg h ASP 593 Ca 0.23 -0.46 -0.04 0.00 -0.39 0.00 0.00 57.03 56.38 3kdg h ASP 593 Cb 0.09 -0.24 -0.01 0.00 0.68 0.00 0.00 39.33 39.85 3kdg h ASP 593 CO -0.03 1.13 0.04 0.44 -1.61 0.00 0.00 179.24 179.20 3kdg h ASP 594 N 0.57 0.49 -0.48 2.28 3.32 -0.72 -2.26 116.42 119.62 3kdg h ASP 594 Ca 0.06 -0.27 0.00 0.00 0.02 0.00 0.00 57.03 56.84 3kdg h ASP 594 Cb 0.87 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 40.27 3kdg h ASP 594 CO 0.08 0.64 0.31 0.25 -1.72 0.00 0.00 179.24 178.80 3kdg h LEU 595 N 0.32 0.56 -2.03 1.55 5.85 -0.77 -0.95 115.31 119.84 3kdg h LEU 595 Ca 0.09 -0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.80 3kdg h LEU 595 Cb 0.36 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.25 3kdg h LEU 595 CO 0.01 0.41 0.02 -0.09 -0.34 0.00 0.00 178.44 178.45 3kdg h ARG 596 N 0.65 0.00 -0.18 1.25 2.43 -1.36 -1.92 114.38 115.25 3kdg h ARG 596 Ca 0.18 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.35 3kdg h ARG 596 Cb -0.06 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.49 3kdg h ARG 596 CO -0.04 0.00 0.00 -1.13 -1.51 0.00 0.00 179.97 177.29 3kdg n SER 597 N -4.49 0.78 -5.00 -3.80 3.41 -0.36 -4.87 113.62 99.29 3kdg n SER 597 Ca -0.02 -2.01 -0.18 0.00 -0.26 0.00 0.00 58.87 56.39 3kdg n SER 597 Cb 0.11 -0.11 0.02 0.00 -0.26 0.00 0.00 64.21 63.97 3kdg n SER 597 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3kdg s THR 598 N -1.79 2.86 0.03 6.66 -4.23 -0.72 -5.02 115.64 113.43 3kdg s THR 598 Ca 0.09 -0.89 0.26 0.00 -1.18 0.00 0.00 61.69 59.98 3kdg s THR 598 Cb 0.05 -2.98 0.29 0.00 1.34 0.00 0.00 72.50 71.20 3kdg s THR 598 CO 0.06 0.00 1.82 0.77 -0.54 0.00 0.00 174.62 176.73 3kdg h SER 599 N 0.43 0.00 -1.87 3.99 4.64 -1.89 -3.38 113.55 115.46 3kdg h SER 599 Ca -0.40 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 60.56 3kdg h SER 599 Cb 1.29 0.00 -0.30 0.00 -0.31 0.00 0.00 62.40 63.08 3kdg h SER 599 CO 0.47 0.15 -0.68 -0.62 -0.87 0.00 0.00 176.83 175.28 3kdg s ASP 600 N -6.06 0.91 0.64 4.97 2.15 -1.26 -4.94 116.67 113.07 3kdg s ASP 600 Ca 0.02 -1.62 0.39 0.00 0.43 0.00 0.00 52.55 51.77 3kdg s ASP 600 Cb 0.09 0.65 2.18 0.00 -0.30 0.00 0.00 42.92 45.54 3kdg s ASP 600 CO 0.62 -0.24 2.31 -0.65 -0.17 0.00 0.00 175.17 177.04 3kdg h PRO 601 N 6.90 0.00 0.00 4.34 0.11 -1.76 -3.09 132.00 138.50 3kdg h PRO 601 Ca 0.06 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.09 3kdg h PRO 601 Cb 1.06 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 3kdg h PRO 601 CO 0.19 0.01 -1.12 0.74 -0.21 0.00 0.00 178.00 177.61 3kdg h PHE 602 N 0.00 0.00 -3.84 0.65 -1.00 -1.94 -3.41 116.94 107.40 3kdg h PHE 602 Ca -0.00 0.00 -0.37 0.00 2.81 0.00 0.00 57.97 60.41 3kdg h PHE 602 Cb 0.03 0.00 -0.30 0.00 3.61 0.00 0.00 35.95 39.30 3kdg h PHE 602 CO 0.00 0.31 -0.77 0.99 -1.61 0.00 0.00 178.31 177.24 3kdg s THR 603 N -3.12 0.53 0.72 -1.55 2.01 -1.17 -0.38 115.64 112.68 3kdg s THR 603 Ca -0.01 -0.25 -0.09 0.00 0.31 0.00 0.00 61.69 61.65 3kdg s THR 603 Cb 0.09 -0.48 0.05 0.00 0.01 0.00 0.00 72.50 72.17 3kdg s THR 603 CO 0.79 0.17 1.06 0.00 -0.69 0.00 0.00 174.62 175.95 3kdg h PRO 605 N -0.67 0.00 -0.03 0.00 0.11 -1.88 0.17 132.00 129.70 3kdg h PRO 605 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3kdg h PRO 605 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 3kdg h PRO 605 CO 0.63 0.00 0.00 0.72 -0.21 0.00 0.00 178.00 179.14 3kdg n HIS 606 N -3.49 0.02 -0.39 0.65 8.25 -1.26 -4.94 115.22 114.06 3kdg n HIS 606 Ca -0.01 -0.01 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 3kdg n HIS 606 Cb 0.23 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.34 3kdg n HIS 606 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kdg n GLY 607 N 1.18 0.75 3.92 -1.41 0.00 0.59 -5.07 105.19 105.15 3kdg n GLY 607 Ca 0.19 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.94 3kdg n GLY 607 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kdg s ARG 608 N -0.61 3.57 0.30 1.61 0.52 -1.26 -4.74 118.95 118.34 3kdg s ARG 608 Ca 0.00 -0.09 -0.29 0.00 -0.52 0.00 0.00 55.73 54.82 3kdg s ARG 608 Cb 0.00 -2.62 -0.10 0.00 0.52 0.00 0.00 34.95 32.75 3kdg s ARG 608 CO 0.00 0.14 1.45 -2.14 0.02 0.00 0.00 175.30 174.77 3kdg s PRO 609 N -3.97 4.23 -0.17 3.54 0.02 -1.26 0.27 135.00 137.65 3kdg s PRO 609 Ca 0.43 2.38 0.11 0.00 0.02 0.00 0.00 61.00 63.95 3kdg s PRO 609 Cb -0.10 -3.06 -0.23 0.00 0.02 0.00 0.00 34.50 31.13 3kdg s PRO 609 CO 0.34 -0.43 0.15 -0.89 -0.33 0.00 0.00 177.00 175.84 3kdg n ILE 610 N 1.64 1.49 -4.79 2.83 5.41 0.49 -4.75 119.36 121.68 3kdg n ILE 610 Ca 0.05 -0.77 -0.26 0.00 1.00 0.00 0.00 62.75 62.77 3kdg n ILE 610 Cb 0.40 -0.89 -0.16 0.00 -0.71 0.00 0.00 39.64 38.28 3kdg n ILE 610 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 3kdg s ILE 611 N -2.52 1.37 -0.27 1.39 1.01 -1.21 -1.55 121.20 119.41 3kdg s ILE 611 Ca -0.15 -0.68 -0.09 0.00 0.00 0.00 0.00 60.65 59.73 3kdg s ILE 611 Cb 0.07 -1.19 -0.03 0.00 0.01 0.00 0.00 42.46 41.32 3kdg s ILE 611 CO 0.78 0.40 0.13 -0.63 0.00 0.00 0.00 174.94 175.62 3kdg s ILE 612 N 0.11 4.77 -0.20 2.92 -1.09 0.81 -4.95 121.20 123.59 3kdg s ILE 612 Ca -0.05 -0.06 -0.02 0.00 -2.23 0.00 0.00 60.65 58.29 3kdg s ILE 612 Cb -0.12 -3.28 -0.00 0.00 -1.58 0.00 0.00 42.46 37.48 3kdg s ILE 612 CO 0.02 0.26 -0.10 -2.28 -1.23 0.00 0.00 174.94 171.62 3kdg s HIS 613 N 1.68 2.88 -0.42 3.97 5.65 -1.26 -0.47 115.29 127.32 3kdg s HIS 613 Ca 0.06 -1.09 -0.13 0.00 0.25 0.00 0.00 55.06 54.15 3kdg s HIS 613 Cb -0.16 -2.01 0.05 0.00 -1.18 0.00 0.00 32.58 29.28 3kdg s HIS 613 CO 0.07 -0.57 0.30 -1.01 -0.65 0.00 0.00 174.74 172.89 3kdg s HIS 614 N 1.25 3.26 0.87 3.88 3.76 -0.37 -5.00 115.29 122.94 3kdg s HIS 614 Ca 0.03 -0.91 -0.12 0.00 -0.15 0.00 0.00 55.06 53.91 3kdg s HIS 614 Cb -0.14 -2.79 0.11 0.00 1.11 0.00 0.00 32.58 30.87 3kdg s HIS 614 CO -0.04 -0.71 1.10 -1.54 -0.85 0.00 0.00 174.74 172.70 3kdg s SER 615 N 2.01 3.82 0.19 1.40 1.04 -1.26 -1.00 113.70 119.90 3kdg s SER 615 Ca 0.04 1.27 -0.13 0.00 0.48 0.00 0.00 55.95 57.61 3kdg s SER 615 Cb -0.21 -1.95 0.20 0.00 0.10 0.00 0.00 66.02 64.15 3kdg s SER 615 CO 0.07 -2.39 1.70 0.74 0.98 0.00 0.00 173.24 174.34 3kdg h THR 616 N -1.38 0.65 -0.12 2.02 2.02 -1.62 0.19 112.91 114.66 3kdg h THR 616 Ca -0.49 -0.06 0.01 0.00 0.77 0.00 0.00 66.41 66.64 3kdg h THR 616 Cb 1.29 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 68.16 3kdg h THR 616 CO 0.58 0.03 0.05 0.22 0.37 0.00 0.00 175.52 176.77 3kdg h TYR 617 N 0.16 0.09 -0.75 3.16 3.20 -1.91 -1.39 116.97 119.53 3kdg h TYR 617 Ca 0.25 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.09 3kdg h TYR 617 Cb 0.37 -0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.58 3kdg h TYR 617 CO -0.28 0.05 0.33 0.93 -1.64 0.00 0.00 178.16 177.55 3kdg h GLU 618 N 0.12 1.10 -0.48 1.82 5.08 -1.68 -2.21 114.58 118.32 3kdg h GLU 618 Ca 0.05 -0.17 -0.10 0.00 -1.00 0.00 0.00 59.36 58.14 3kdg h GLU 618 Cb 0.02 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.06 3kdg h GLU 618 CO -0.04 0.87 -0.07 0.52 -1.00 0.00 0.00 179.01 179.28 3kdg h MET 619 N 1.08 0.89 -0.88 2.33 2.86 -0.37 -0.28 114.93 120.56 3kdg h MET 619 Ca 0.26 -0.32 0.03 0.00 -2.06 0.00 0.00 59.70 57.60 3kdg h MET 619 Cb 0.16 -0.06 -0.05 0.00 0.06 0.00 0.00 31.60 31.71 3kdg h MET 619 CO -0.03 0.97 0.57 0.93 1.06 0.00 0.00 176.91 180.41 3kdg h GLU 620 N 0.74 1.08 -0.11 1.72 5.08 -1.09 -1.87 114.58 120.13 3kdg h GLU 620 Ca 0.13 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 3kdg h GLU 620 Cb 0.61 -0.24 -0.00 0.00 0.50 0.00 0.00 28.75 29.61 3kdg h GLU 620 CO 0.04 0.72 0.04 0.87 -1.00 0.00 0.00 179.01 179.67 3kdg h LYS 621 N 1.11 0.17 -0.80 2.33 1.79 -1.11 -0.13 116.57 119.93 3kdg h LYS 621 Ca 0.35 -0.03 0.15 0.00 -2.18 0.00 0.00 60.65 58.93 3kdg h LYS 621 Cb -0.01 -0.03 -0.10 0.00 -1.58 0.00 0.00 32.23 30.52 3kdg h LYS 621 CO -0.11 0.30 0.36 0.52 -1.08 0.00 0.00 179.45 179.44 3kdg h MET 622 N 0.00 0.50 -0.66 3.15 2.86 -0.72 -0.38 114.93 119.68 3kdg h MET 622 Ca 0.04 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 3kdg h MET 622 Cb 0.20 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 31.74 3kdg h MET 622 CO -0.00 0.33 0.00 1.19 1.06 0.00 0.00 176.91 179.49 3kdg n PHE 623 N -4.95 1.11 -3.23 -0.22 3.72 -0.73 -4.95 117.46 108.22 3kdg n PHE 623 Ca 0.16 -0.49 -0.22 0.00 -0.05 0.00 0.00 57.45 56.84 3kdg n PHE 623 Cb 0.43 -0.10 0.01 0.00 -0.94 0.00 0.00 39.48 38.88 3kdg n PHE 623 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 3kdg n LYS 624 N 1.27 -3.77 0.00 -1.08 5.02 -0.15 -5.05 118.16 114.39 3kdg n LYS 624 Ca 0.23 0.60 0.06 0.00 -2.02 0.00 0.00 58.31 57.18 3kdg n LYS 624 Cb 0.68 -5.35 0.35 0.00 -0.02 0.00 0.00 35.03 30.70 3kdg n LYS 624 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42