#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cd7 h LYS 460 N 0.00 0.23 0.00 0.00 3.64 -2.00 -2.79 116.57 115.66 3cd7 h LYS 460 Ca 0.00 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 3cd7 h LYS 460 Cb 0.00 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.80 3cd7 h LYS 460 CO 0.00 0.51 -0.85 1.19 -2.27 0.00 0.00 179.45 178.03 3cd7 n PHE 461 N -4.13 0.39 -2.02 1.91 3.01 -1.26 -4.93 117.46 110.43 3cd7 n PHE 461 Ca -0.01 0.11 -0.28 0.00 1.01 0.00 0.00 57.45 58.28 3cd7 n PHE 461 Cb 0.39 -0.54 0.11 0.00 -0.01 0.00 0.00 39.48 39.43 3cd7 n PHE 461 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3cd7 s LEU 462 N -4.06 2.66 0.27 4.37 1.43 -1.05 -5.10 118.68 117.20 3cd7 s LEU 462 Ca 0.05 0.52 0.06 0.00 -1.03 0.00 0.00 54.13 53.73 3cd7 s LEU 462 Cb 0.14 -2.95 -0.03 0.00 0.03 0.00 0.00 46.19 43.38 3cd7 s LEU 462 CO 0.76 -2.00 0.33 -0.94 0.23 0.00 0.00 176.35 174.74 3cd7 s SER 463 N -4.64 5.93 0.22 2.29 1.04 -1.26 -4.99 113.70 112.29 3cd7 s SER 463 Ca 0.64 -0.13 -0.07 0.00 0.48 0.00 0.00 55.95 56.87 3cd7 s SER 463 Cb -0.09 -1.51 0.33 0.00 0.10 0.00 0.00 66.02 64.85 3cd7 s SER 463 CO 0.48 -0.17 1.76 0.44 0.98 0.00 0.00 173.24 176.73 3cd7 h ASP 464 N 1.20 0.36 -0.40 7.02 5.19 -1.99 -2.30 116.42 125.51 3cd7 h ASP 464 Ca -0.49 0.07 -0.13 0.00 -0.62 0.00 0.00 57.03 55.86 3cd7 h ASP 464 Cb 1.24 0.02 -0.01 0.00 0.18 0.00 0.00 39.33 40.76 3cd7 h ASP 464 CO 0.59 0.20 -0.28 0.00 -3.12 0.00 0.00 179.24 176.63 3cd7 h ALA 465 N 1.44 0.57 -0.41 3.45 0.00 -1.99 -2.78 119.26 119.53 3cd7 h ALA 465 Ca 0.34 -0.41 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 3cd7 h ALA 465 Cb 0.41 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3cd7 h ALA 465 CO -0.30 0.59 -0.08 1.49 0.00 0.00 0.00 179.25 180.96 3cd7 h GLU 466 N 0.70 0.71 -0.64 0.00 4.81 -1.90 -1.76 114.58 116.50 3cd7 h GLU 466 Ca 0.08 -0.21 -0.08 0.00 -0.13 0.00 0.00 59.36 59.02 3cd7 h GLU 466 Cb 0.86 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.14 3cd7 h GLU 466 CO 0.08 0.77 0.09 0.82 -0.73 0.00 0.00 179.01 180.04 3cd7 h ILE 467 N 0.65 1.26 -0.33 2.32 1.08 -1.42 -1.65 117.51 119.42 3cd7 h ILE 467 Ca 0.12 -1.04 -0.09 0.00 -0.39 0.00 0.00 64.86 63.46 3cd7 h ILE 467 Cb 0.52 0.68 -0.02 0.00 -3.07 0.00 0.00 36.82 34.94 3cd7 h ILE 467 CO 0.03 0.39 -0.15 0.40 -0.69 0.00 0.00 178.15 178.13 3cd7 h ILE 468 N 0.99 1.25 -0.04 -0.67 2.04 -1.18 -2.66 117.51 117.24 3cd7 h ILE 468 Ca 0.19 -1.13 -0.17 0.00 1.00 0.00 0.00 64.86 64.75 3cd7 h ILE 468 Cb 0.45 1.16 -0.01 0.00 -0.74 0.00 0.00 36.82 37.68 3cd7 h ILE 468 CO 0.01 0.37 -0.71 -0.61 0.00 0.00 0.00 178.15 177.22 3cd7 h GLN 469 N 0.54 0.20 -0.02 2.37 5.75 -1.17 -2.65 115.11 120.13 3cd7 h GLN 469 Ca 0.09 -0.17 0.01 0.00 -0.15 0.00 0.00 58.65 58.44 3cd7 h GLN 469 Cb 0.57 0.04 -0.01 0.00 1.07 0.00 0.00 27.48 29.14 3cd7 h GLN 469 CO 0.04 0.83 -0.05 1.25 -2.65 0.00 0.00 178.83 178.25 3cd7 h LEU 470 N 0.14 -0.15 0.50 -2.39 5.85 -1.03 -2.66 115.31 115.57 3cd7 h LEU 470 Ca -0.02 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 3cd7 h LEU 470 Cb 1.27 0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.37 3cd7 h LEU 470 CO 0.11 -0.07 -0.24 0.58 -0.34 0.00 0.00 178.44 178.47 3cd7 h VAL 471 N -0.08 0.41 -0.40 1.05 2.07 -1.48 -3.27 116.25 114.56 3cd7 h VAL 471 Ca 0.03 -0.37 0.06 0.00 0.82 0.00 0.00 66.70 67.24 3cd7 h VAL 471 Cb 0.12 0.55 -0.09 0.00 -1.52 0.00 0.00 31.29 30.35 3cd7 h VAL 471 CO -0.07 0.05 -0.51 0.78 0.02 0.00 0.00 177.57 177.85 3cd7 h ASN 472 N -0.92 -1.69 -0.73 0.57 2.35 -1.52 -3.52 115.58 110.12 3cd7 h ASN 472 Ca -0.07 0.23 -0.04 0.00 -0.55 0.00 0.00 56.30 55.87 3cd7 h ASN 472 Cb 0.60 0.71 -0.03 0.00 0.05 0.00 0.00 38.32 39.65 3cd7 h ASN 472 CO 0.11 -0.40 0.30 0.00 -1.65 0.00 0.00 177.43 175.80 3cd7 h ALA 473 N 0.14 1.13 -1.29 -0.83 0.00 -1.53 -3.52 119.26 113.37 3cd7 h ALA 473 Ca 0.10 -0.18 0.16 0.00 0.00 0.00 0.00 54.91 54.99 3cd7 h ALA 473 Cb 0.60 -0.29 -0.26 0.00 0.00 0.00 0.00 17.79 17.84 3cd7 h ALA 473 CO -0.58 0.62 0.76 0.42 0.00 0.00 0.00 179.25 180.47 3cd7 s ILE 485 N -5.51 0.00 0.03 0.00 1.09 -1.26 -4.88 121.20 110.67 3cd7 s ILE 485 Ca -0.12 0.00 -0.29 0.00 -1.10 0.00 0.00 60.65 59.15 3cd7 s ILE 485 Cb 0.16 -1.00 -0.16 0.00 -1.06 0.00 0.00 42.46 40.40 3cd7 s ILE 485 CO 0.82 0.00 1.27 1.05 -0.10 0.00 0.00 174.94 177.99 3cd7 h GLU 486 N 2.45 -1.00 -5.76 2.79 4.11 -1.98 -3.47 114.58 111.73 3cd7 h GLU 486 Ca -0.15 0.07 -0.60 0.00 0.07 0.00 0.00 59.36 58.75 3cd7 h GLU 486 Cb 1.18 0.23 -0.08 0.00 0.50 0.00 0.00 28.75 30.57 3cd7 h GLU 486 CO 0.25 -0.66 -0.43 0.95 0.07 0.00 0.00 179.01 179.18 3cd7 s THR 487 N -5.02 1.82 0.01 -1.06 -4.23 -1.26 -5.07 115.64 100.83 3cd7 s THR 487 Ca -0.15 -1.69 -0.20 0.00 -1.18 0.00 0.00 61.69 58.48 3cd7 s THR 487 Cb 0.02 -2.51 -0.23 0.00 1.34 0.00 0.00 72.50 71.12 3cd7 s THR 487 CO 0.45 0.00 1.10 0.45 -0.54 0.00 0.00 174.62 176.08 3cd7 h HIS 488 N 1.16 0.62 -0.21 3.99 3.86 -1.98 -3.14 115.15 119.45 3cd7 h HIS 488 Ca -0.41 -0.34 -0.04 0.00 -1.16 0.00 0.00 60.37 58.42 3cd7 h HIS 488 Cb 1.28 -0.07 -0.01 0.00 1.06 0.00 0.00 27.41 29.67 3cd7 h HIS 488 CO 0.95 1.16 -0.05 1.49 0.86 0.00 0.00 177.93 182.34 3cd7 h GLU 489 N -0.09 0.31 0.00 2.45 4.81 -1.96 -1.36 114.58 118.75 3cd7 h GLU 489 Ca -0.08 -0.06 -0.18 0.00 -0.13 0.00 0.00 59.36 58.92 3cd7 h GLU 489 Cb 1.32 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.63 3cd7 h GLU 489 CO 0.12 0.38 -0.83 -0.09 -0.73 0.00 0.00 179.01 177.86 3cd7 h ARG 490 N 0.30 0.02 -0.21 1.92 2.43 -1.99 -1.17 114.38 115.68 3cd7 h ARG 490 Ca 0.07 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.15 3cd7 h ARG 490 Cb 0.29 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.83 3cd7 h ARG 490 CO 0.01 0.84 -0.15 0.78 -1.51 0.00 0.00 179.97 179.94 3cd7 h GLY 491 N 2.39 0.38 1.23 2.80 0.00 -1.33 -1.12 103.07 107.42 3cd7 h GLY 491 Ca -0.01 -0.25 -0.22 0.00 0.00 0.00 0.00 47.33 46.84 3cd7 h GLY 491 CO 0.11 0.24 -0.77 -2.08 0.00 0.00 0.00 176.54 174.03 3cd7 h VAL 492 N 0.33 1.29 -0.57 4.60 2.07 -1.08 -2.58 116.25 120.30 3cd7 h VAL 492 Ca 0.06 -1.99 -0.08 0.00 0.82 0.00 0.00 66.70 65.51 3cd7 h VAL 492 Cb 0.47 1.99 -0.02 0.00 -1.52 0.00 0.00 31.29 32.21 3cd7 h VAL 492 CO 0.03 0.63 0.04 -1.28 0.02 0.00 0.00 177.57 177.00 3cd7 h SER 493 N 0.52 0.95 -0.39 0.57 0.87 -1.03 -1.83 113.55 113.21 3cd7 h SER 493 Ca -0.05 -0.29 -0.12 0.00 -1.23 0.00 0.00 61.79 60.10 3cd7 h SER 493 Cb 1.40 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 63.09 3cd7 h SER 493 CO 0.16 1.00 -0.22 0.40 -0.53 0.00 0.00 176.83 177.64 3cd7 h ILE 494 N 0.87 1.28 -0.70 2.23 1.08 -1.26 -2.29 117.51 118.71 3cd7 h ILE 494 Ca 0.17 -1.37 -0.04 0.00 -0.39 0.00 0.00 64.86 63.23 3cd7 h ILE 494 Cb 0.49 1.32 -0.03 0.00 -3.07 0.00 0.00 36.82 35.53 3cd7 h ILE 494 CO 0.02 0.46 0.29 -0.09 -0.69 0.00 0.00 178.15 178.13 3cd7 h ARG 495 N 0.64 1.03 -0.66 2.37 2.43 -1.33 -0.77 114.38 118.10 3cd7 h ARG 495 Ca 0.08 -0.17 -0.07 0.00 -0.81 0.00 0.00 59.98 59.01 3cd7 h ARG 495 Cb 0.78 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 30.13 3cd7 h ARG 495 CO 0.06 0.84 0.12 0.00 -1.51 0.00 0.00 179.97 179.48 3cd7 h ARG 496 N 1.02 1.08 -0.17 0.20 3.08 -1.21 -1.29 114.38 117.08 3cd7 h ARG 496 Ca 0.24 -0.28 -0.12 0.00 0.07 0.00 0.00 59.98 59.88 3cd7 h ARG 496 Cb 0.18 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.10 3cd7 h ARG 496 CO -0.02 0.98 -0.38 1.96 -1.07 0.00 0.00 179.97 181.44 3cd7 h GLN 497 N 1.00 0.55 -0.89 0.04 4.20 -1.15 -0.28 115.11 118.58 3cd7 h GLN 497 Ca 0.20 -0.37 0.09 0.00 0.06 0.00 0.00 58.65 58.63 3cd7 h GLN 497 Cb 0.42 0.05 -0.07 0.00 0.30 0.00 0.00 27.48 28.18 3cd7 h GLN 497 CO 0.01 0.98 0.54 -0.07 -0.67 0.00 0.00 178.83 179.62 3cd7 h LEU 498 N 0.20 0.80 -0.29 1.46 4.07 -1.10 -2.64 115.31 117.82 3cd7 h LEU 498 Ca 0.00 0.04 -0.20 0.00 0.08 0.00 0.00 57.88 57.80 3cd7 h LEU 498 Cb 0.98 -0.12 -0.01 0.00 1.08 0.00 0.00 40.66 42.59 3cd7 h LEU 498 CO 0.08 0.47 -0.86 0.25 -1.08 0.00 0.00 178.44 177.31 3cd7 h LEU 499 N 0.92 0.38 -1.76 1.67 5.85 -1.13 -3.21 115.31 118.04 3cd7 h LEU 499 Ca 0.42 -0.29 -0.03 0.00 0.84 0.00 0.00 57.88 58.81 3cd7 h LEU 499 Cb 0.33 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.23 3cd7 h LEU 499 CO -0.23 1.08 -0.16 0.28 -0.34 0.00 0.00 178.44 179.06 3cd7 h SER 500 N 0.18 0.00 -0.79 1.25 0.02 -0.68 -2.15 113.55 111.39 3cd7 h SER 500 Ca -0.05 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.89 3cd7 h SER 500 Cb 1.47 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.97 3cd7 h SER 500 CO 0.14 0.16 0.48 0.11 -1.14 0.00 0.00 176.83 176.58 3cd7 h LYS 501 N 0.00 1.07 0.00 3.45 1.57 -1.52 -3.12 116.57 118.03 3cd7 h LYS 501 Ca -0.00 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 3cd7 h LYS 501 Cb 0.37 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.45 3cd7 h LYS 501 CO 0.02 0.75 -0.04 1.63 -0.57 0.00 0.00 179.45 181.25 3cd7 n LYS 502 N -4.48 0.05 -3.01 3.15 5.02 -0.81 -4.86 118.16 113.23 3cd7 n LYS 502 Ca 0.08 0.04 -0.34 0.00 -2.02 0.00 0.00 58.31 56.07 3cd7 n LYS 502 Cb 0.06 -1.56 -0.06 0.00 -0.02 0.00 0.00 35.03 33.44 3cd7 n LYS 502 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3cd7 s LEU 503 N -3.29 4.09 0.32 -0.35 1.43 -1.18 -4.97 118.68 114.73 3cd7 s LEU 503 Ca 0.13 1.47 0.08 0.00 -1.03 0.00 0.00 54.13 54.78 3cd7 s LEU 503 Cb 0.18 -4.14 0.54 0.00 0.03 0.00 0.00 46.19 42.80 3cd7 s LEU 503 CO 0.56 -0.20 1.76 0.77 0.23 0.00 0.00 176.35 179.46 3cd7 h SER 504 N 2.41 0.22 -3.86 2.29 4.64 -1.89 -3.33 113.55 114.03 3cd7 h SER 504 Ca -0.48 -0.08 -0.70 0.00 -0.47 0.00 0.00 61.79 60.06 3cd7 h SER 504 Cb 1.18 -0.06 -0.35 0.00 -0.31 0.00 0.00 62.40 62.86 3cd7 h SER 504 CO 0.64 0.56 -0.43 -0.70 -0.87 0.00 0.00 176.83 176.03 3cd7 s GLU 505 N -4.27 2.35 0.56 4.77 2.56 -1.26 -4.99 118.70 118.43 3cd7 s GLU 505 Ca -0.05 -2.24 0.25 0.00 0.00 0.00 0.00 54.97 52.94 3cd7 s GLU 505 Cb 0.14 -3.69 1.52 0.00 2.00 0.00 0.00 34.13 34.10 3cd7 s GLU 505 CO 0.76 -1.14 2.10 -1.35 -0.56 0.00 0.00 175.26 175.07 3cd7 h PRO 506 N 7.46 0.00 -0.87 4.30 0.11 -1.75 -2.08 132.00 139.17 3cd7 h PRO 506 Ca -0.07 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.94 3cd7 h PRO 506 Cb 0.99 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.04 3cd7 h PRO 506 CO 0.71 0.00 0.14 -1.13 -0.21 0.00 0.00 178.00 177.51 3cd7 n SER 507 N -4.11 3.45 -0.25 -2.05 3.41 -1.26 -4.43 113.62 108.37 3cd7 n SER 507 Ca 0.02 -2.63 -0.05 0.00 -0.26 0.00 0.00 58.87 55.95 3cd7 n SER 507 Cb 0.33 -0.63 0.10 0.00 -0.26 0.00 0.00 64.21 63.75 3cd7 n SER 507 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3cd7 h SER 508 N 1.46 1.03 0.00 4.04 0.02 -1.77 -2.80 113.55 115.52 3cd7 h SER 508 Ca 0.13 -0.17 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 3cd7 h SER 508 Cb 1.56 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 63.83 3cd7 h SER 508 CO 0.39 0.93 0.00 0.18 -1.14 0.00 0.00 176.83 177.18 3cd7 n LEU 509 N -4.27 0.00 -0.22 5.07 4.32 -1.26 -4.31 117.00 116.32 3cd7 n LEU 509 Ca 0.06 0.00 0.02 0.00 -0.02 0.00 0.00 56.01 56.07 3cd7 n LEU 509 Cb 0.20 0.00 0.12 0.00 -1.62 0.00 0.00 43.42 42.11 3cd7 n LEU 509 CO 0.41 0.00 0.84 -0.61 -1.22 0.00 0.00 177.39 176.81 3cd7 h GLN 510 N 0.00 0.13 -0.27 3.23 4.15 -1.84 -2.46 115.11 118.05 3cd7 h GLN 510 Ca 0.00 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.41 3cd7 h GLN 510 Cb 0.00 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 27.66 3cd7 h GLN 510 CO 0.00 0.08 0.00 0.66 -1.93 0.00 0.00 178.83 177.64 3cd7 n TYR 511 N -5.28 0.75 -2.86 3.99 4.02 -1.26 -4.86 117.16 111.66 3cd7 n TYR 511 Ca 0.10 -0.77 -0.43 0.00 -0.01 0.00 0.00 57.90 56.79 3cd7 n TYR 511 Cb 0.38 -0.22 -0.04 0.00 -0.02 0.00 0.00 39.34 39.43 3cd7 n TYR 511 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 3cd7 s LEU 512 N -2.29 4.09 0.40 7.72 0.20 -0.93 -5.04 118.68 122.83 3cd7 s LEU 512 Ca 0.36 0.01 -0.25 0.00 0.69 0.00 0.00 54.13 54.94 3cd7 s LEU 512 Cb 0.27 -3.10 -0.09 0.00 -0.43 0.00 0.00 46.19 42.85 3cd7 s LEU 512 CO 0.10 -1.03 1.11 -2.16 -0.29 0.00 0.00 176.35 174.09 3cd7 s PRO 513 N 3.64 4.09 0.00 0.98 0.04 -1.26 -4.91 135.00 137.58 3cd7 s PRO 513 Ca 0.34 1.69 0.00 0.00 0.04 0.00 0.00 61.00 63.07 3cd7 s PRO 513 Cb -0.11 -2.61 0.00 0.00 0.04 0.00 0.00 34.50 31.82 3cd7 s PRO 513 CO 0.25 -0.25 0.00 2.48 0.04 0.00 0.00 177.00 179.52 3cd7 n TYR 514 N -0.01 0.00 -1.48 0.56 0.18 -1.26 -1.97 117.16 113.18 3cd7 n TYR 514 Ca 0.05 0.00 -0.32 0.00 1.88 0.00 0.00 57.90 59.51 3cd7 n TYR 514 Cb 0.48 0.00 0.07 0.00 -0.38 0.00 0.00 39.34 39.51 3cd7 n TYR 514 CO 0.00 0.00 0.00 1.03 -2.08 0.00 0.00 176.86 175.81 3cd7 s ARG 515 N -0.39 2.50 -1.32 -3.48 0.52 -1.26 -3.92 118.95 111.59 3cd7 s ARG 515 Ca 0.00 1.26 -0.12 0.00 -0.52 0.00 0.00 55.73 56.36 3cd7 s ARG 515 Cb 0.00 -1.92 0.10 0.00 0.52 0.00 0.00 34.95 33.65 3cd7 s ARG 515 CO 0.00 -1.47 0.52 -0.25 0.02 0.00 0.00 175.30 174.12 3cd7 n ASP 516 N -3.04 -3.23 -4.54 0.23 8.00 -1.26 -4.96 116.55 107.74 3cd7 n ASP 516 Ca 0.10 -0.52 -0.34 0.00 0.71 0.00 0.00 54.79 54.73 3cd7 n ASP 516 Cb 0.53 -2.69 -0.12 0.00 -0.02 0.00 0.00 41.12 38.82 3cd7 n ASP 516 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 3cd7 s TYR 517 N -2.95 2.99 -0.91 1.24 5.04 -1.25 -5.05 117.35 116.45 3cd7 s TYR 517 Ca 0.48 -0.13 -0.24 0.00 -2.44 0.00 0.00 57.07 54.73 3cd7 s TYR 517 Cb -0.26 -1.83 -0.00 0.00 0.35 0.00 0.00 41.96 40.22 3cd7 s TYR 517 CO 0.59 0.16 1.72 1.21 -1.34 0.00 0.00 175.55 177.89 3cd7 s ASN 518 N -0.27 5.71 0.00 4.32 3.04 -1.26 -4.80 114.94 121.68 3cd7 s ASN 518 Ca 0.04 -0.85 0.29 0.00 0.04 0.00 0.00 52.86 52.38 3cd7 s ASN 518 Cb -0.13 -2.56 1.30 0.00 -1.54 0.00 0.00 41.25 38.33 3cd7 s ASN 518 CO 0.02 -2.21 1.94 -1.22 -3.04 0.00 0.00 177.10 172.60 3cd7 n TYR 519 N 11.72 0.00 0.05 0.43 4.02 -1.26 -4.00 117.16 128.13 3cd7 n TYR 519 Ca 0.33 0.00 0.01 0.00 -0.01 0.00 0.00 57.90 58.23 3cd7 n TYR 519 Cb 0.49 -0.36 0.33 0.00 -0.02 0.00 0.00 39.34 39.78 3cd7 n TYR 519 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 3cd7 h SER 520 N 0.07 0.38 0.69 7.72 4.64 -1.95 -2.37 113.55 122.72 3cd7 h SER 520 Ca 0.00 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 3cd7 h SER 520 Cb 0.40 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 3cd7 h SER 520 CO 0.00 0.49 -0.35 0.18 -0.87 0.00 0.00 176.83 176.28 3cd7 n LEU 521 N -4.27 0.37 -0.02 5.97 4.77 -1.26 -4.12 117.00 118.44 3cd7 n LEU 521 Ca 0.00 0.18 -0.20 0.00 -0.03 0.00 0.00 56.01 55.96 3cd7 n LEU 521 Cb 0.26 -0.32 -0.14 0.00 -2.33 0.00 0.00 43.42 40.89 3cd7 n LEU 521 CO 0.39 0.07 -0.92 0.52 -1.33 0.00 0.00 177.39 176.12 3cd7 n VAL 522 N -1.56 1.72 -2.21 4.08 0.31 -0.95 -4.51 118.33 115.21 3cd7 n VAL 522 Ca 0.06 -0.64 -0.41 0.00 -0.01 0.00 0.00 64.34 63.33 3cd7 n VAL 522 Cb 0.35 -1.64 -0.03 0.00 -0.91 0.00 0.00 33.84 31.61 3cd7 n VAL 522 CO 0.00 0.00 0.00 -0.04 -1.32 0.00 0.00 176.83 175.47 3cd7 s MET 523 N -2.55 4.38 -1.42 5.55 -1.94 -0.94 -1.58 119.30 120.81 3cd7 s MET 523 Ca -0.24 2.06 0.00 0.00 -1.71 0.00 0.00 55.69 55.80 3cd7 s MET 523 Cb 0.07 -3.19 0.00 0.00 2.01 0.00 0.00 34.83 33.72 3cd7 s MET 523 CO 0.74 -0.26 0.00 0.41 -0.01 0.00 0.00 175.02 175.90 3cd7 n GLY 524 N 2.37 0.05 1.71 -0.03 0.00 -1.26 -4.74 105.19 103.29 3cd7 n GLY 524 Ca 0.06 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.86 3cd7 n GLY 524 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cd7 n ALA 525 N -1.23 0.25 -0.02 4.61 0.00 -1.15 -5.03 120.51 117.95 3cd7 n ALA 525 Ca -0.18 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.25 3cd7 n ALA 525 Cb 0.62 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.04 3cd7 n ALA 525 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3cd7 s GLU 528 N -1.38 1.64 -1.52 0.00 8.01 -1.26 -4.24 118.70 119.95 3cd7 s GLU 528 Ca -0.08 -1.83 -0.07 0.00 0.01 0.00 0.00 54.97 53.01 3cd7 s GLU 528 Cb -0.00 -1.39 0.06 0.00 -4.31 0.00 0.00 34.13 28.48 3cd7 s GLU 528 CO 0.06 0.10 0.53 0.09 0.01 0.00 0.00 175.26 176.06 3cd7 n ASN 529 N -0.65 -1.37 -4.64 -0.19 3.02 -1.26 -4.84 115.26 105.32 3cd7 n ASN 529 Ca -0.05 -1.02 -0.43 0.00 -0.03 0.00 0.00 54.58 53.05 3cd7 n ASN 529 Cb 0.63 -2.88 -0.02 0.00 -0.61 0.00 0.00 39.78 36.89 3cd7 n ASN 529 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3cd7 s VAL 530 N -3.74 4.15 -1.98 2.41 1.01 -1.26 -4.89 120.40 116.10 3cd7 s VAL 530 Ca 0.27 1.34 0.21 0.00 0.00 0.00 0.00 61.98 63.80 3cd7 s VAL 530 Cb -0.15 -4.04 0.48 0.00 0.00 0.00 0.00 36.38 32.68 3cd7 s VAL 530 CO 0.91 -0.31 1.41 2.30 0.00 0.00 0.00 175.10 179.41 3cd7 n ILE 531 N 5.86 0.76 -0.02 2.22 -5.35 -1.26 -4.65 119.36 116.92 3cd7 n ILE 531 Ca 0.15 -0.88 0.00 0.00 -0.27 0.00 0.00 62.75 61.75 3cd7 n ILE 531 Cb 0.46 0.73 0.00 0.00 -1.74 0.00 0.00 39.64 39.08 3cd7 n ILE 531 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3cd7 n GLY 532 N 1.38 0.66 3.24 3.28 0.00 -1.26 -4.83 105.19 107.66 3cd7 n GLY 532 Ca 0.20 -1.55 -0.12 0.00 0.00 0.00 0.00 46.02 44.54 3cd7 n GLY 532 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3cd7 s TYR 533 N -3.92 -0.12 -0.27 1.61 -0.85 -0.83 -4.99 117.35 107.97 3cd7 s TYR 533 Ca 0.00 0.07 -0.06 0.00 -0.52 0.00 0.00 57.07 56.55 3cd7 s TYR 533 Cb 0.00 0.08 0.00 0.00 0.38 0.00 0.00 41.96 42.42 3cd7 s TYR 533 CO 0.00 -0.45 0.05 1.41 -1.52 0.00 0.00 175.55 175.04 3cd7 s MET 534 N -2.03 3.19 -0.11 -3.49 -2.45 -1.26 -4.17 119.30 108.97 3cd7 s MET 534 Ca -0.09 -0.78 -0.30 0.00 -1.25 0.00 0.00 55.69 53.28 3cd7 s MET 534 Cb -0.03 -3.29 -0.02 0.00 1.25 0.00 0.00 34.83 32.75 3cd7 s MET 534 CO -0.00 -0.37 1.10 -2.14 1.05 0.00 0.00 175.02 174.66 3cd7 s PRO 535 N 1.50 4.36 -0.24 4.11 0.02 -1.26 -5.03 135.00 138.46 3cd7 s PRO 535 Ca 0.03 1.51 -0.03 0.00 0.02 0.00 0.00 61.00 62.54 3cd7 s PRO 535 Cb -0.16 -3.58 0.01 0.00 0.02 0.00 0.00 34.50 30.79 3cd7 s PRO 535 CO 0.01 -0.44 -0.05 0.42 -0.33 0.00 0.00 177.00 176.61 3cd7 s ILE 536 N 2.37 3.06 0.10 2.83 -1.09 -1.26 -5.08 121.20 122.12 3cd7 s ILE 536 Ca 0.51 -0.83 -0.35 0.00 -2.23 0.00 0.00 60.65 57.75 3cd7 s ILE 536 Cb -0.20 -2.49 -0.15 0.00 -1.58 0.00 0.00 42.46 38.04 3cd7 s ILE 536 CO 0.18 0.28 1.52 -2.65 -1.23 0.00 0.00 174.94 173.04 3cd7 n PRO 537 N 4.72 1.75 -4.02 2.79 -0.02 -1.26 -4.73 135.00 134.24 3cd7 n PRO 537 Ca -0.17 0.63 -0.35 0.00 -2.02 0.00 0.00 63.50 61.60 3cd7 n PRO 537 Cb 0.48 -2.36 -0.10 0.00 -0.02 0.00 0.00 33.50 31.50 3cd7 n PRO 537 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3cd7 s VAL 538 N 1.11 4.69 0.42 -1.45 1.01 -1.26 -1.23 120.40 123.69 3cd7 s VAL 538 Ca 0.83 -0.07 0.06 0.00 0.00 0.00 0.00 61.98 62.80 3cd7 s VAL 538 Cb -0.80 -3.12 -0.07 0.00 0.00 0.00 0.00 36.38 32.40 3cd7 s VAL 538 CO 0.43 0.45 0.01 -0.83 0.00 0.00 0.00 175.10 175.17 3cd7 s GLY 539 N 0.47 2.56 -0.03 4.51 0.00 -0.54 -4.93 107.32 109.35 3cd7 s GLY 539 Ca 0.03 -2.01 0.05 0.00 0.00 0.00 0.00 44.72 42.79 3cd7 s GLY 539 CO 0.01 -2.09 -0.20 0.54 0.00 0.00 0.00 173.10 171.36 3cd7 s VAL 540 N -2.78 1.59 -0.27 1.40 0.11 -1.26 -1.34 120.40 117.85 3cd7 s VAL 540 Ca 0.31 -0.83 0.00 0.00 -2.93 0.00 0.00 61.98 58.53 3cd7 s VAL 540 Cb 0.09 -1.34 0.05 0.00 -1.53 0.00 0.00 36.38 33.64 3cd7 s VAL 540 CO 0.16 0.45 -0.06 0.00 -3.33 0.00 0.00 175.10 172.32 3cd7 s ALA 541 N -0.20 2.68 0.00 1.54 0.00 -0.54 -4.93 121.76 120.32 3cd7 s ALA 541 Ca 0.01 -1.67 0.00 0.00 0.00 0.00 0.00 51.96 50.30 3cd7 s ALA 541 Cb -0.10 -1.73 0.00 0.00 0.00 0.00 0.00 23.12 21.29 3cd7 s ALA 541 CO 0.01 -1.10 0.00 0.41 0.00 0.00 0.00 175.76 175.08 3cd7 n GLY 542 N 4.57 -0.73 3.79 0.00 0.00 -1.26 -1.59 105.19 109.96 3cd7 n GLY 542 Ca -0.15 -1.04 -0.36 0.00 0.00 0.00 0.00 46.02 44.48 3cd7 n GLY 542 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3cd7 s PRO 543 N -2.00 4.04 -0.34 1.61 0.04 -1.26 -4.98 135.00 132.12 3cd7 s PRO 543 Ca 0.00 1.45 -0.08 0.00 0.04 0.00 0.00 61.00 62.41 3cd7 s PRO 543 Cb 0.00 -2.38 0.03 0.00 0.04 0.00 0.00 34.50 32.19 3cd7 s PRO 543 CO 0.00 -0.23 0.12 -1.17 0.04 0.00 0.00 177.00 175.76 3cd7 s LEU 544 N -2.95 4.30 -0.56 -3.56 2.96 -0.22 -4.59 118.68 114.05 3cd7 s LEU 544 Ca 0.61 -1.00 -0.25 0.00 -0.22 0.00 0.00 54.13 53.27 3cd7 s LEU 544 Cb -0.20 -1.91 0.04 0.00 0.50 0.00 0.00 46.19 44.63 3cd7 s LEU 544 CO 0.24 -0.31 1.01 0.00 -1.32 0.00 0.00 176.35 175.98 3cd7 s LEU 546 N 4.24 0.76 -1.52 0.00 2.96 -0.22 0.06 118.68 124.96 3cd7 s LEU 546 Ca 0.34 -0.14 -0.12 0.00 -0.22 0.00 0.00 54.13 53.99 3cd7 s LEU 546 Cb -0.11 -0.55 0.08 0.00 0.50 0.00 0.00 46.19 46.10 3cd7 s LEU 546 CO 0.21 -0.17 0.89 0.47 -1.32 0.00 0.00 176.35 176.43 3cd7 n ASP 547 N 5.08 -3.87 0.00 3.68 8.00 0.57 -1.79 116.55 128.22 3cd7 n ASP 547 Ca -0.09 -0.82 0.00 0.00 0.71 0.00 0.00 54.79 54.59 3cd7 n ASP 547 Cb 0.50 -3.74 0.00 0.00 -0.02 0.00 0.00 41.12 37.86 3cd7 n ASP 547 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3cd7 n GLU 548 N -4.58 -0.25 -4.02 -1.24 1.02 -1.26 -5.00 120.64 105.31 3cd7 n GLU 548 Ca -0.02 0.06 -0.22 0.00 -0.02 0.00 0.00 57.16 56.96 3cd7 n GLU 548 Cb 0.55 -3.39 -0.05 0.00 -0.02 0.00 0.00 31.44 28.54 3cd7 n GLU 548 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3cd7 s LYS 549 N -0.48 2.69 -0.07 3.49 1.02 -0.74 -5.12 119.74 120.54 3cd7 s LYS 549 Ca 0.00 -1.26 0.02 0.00 0.02 0.00 0.00 55.97 54.75 3cd7 s LYS 549 Cb 0.00 -2.43 -0.03 0.00 -0.52 0.00 0.00 37.83 34.86 3cd7 s LYS 549 CO 0.00 0.24 -0.12 -1.21 -0.92 0.00 0.00 175.35 173.34 3cd7 s GLU 550 N -3.88 2.72 -0.03 1.68 2.02 -1.26 -1.05 118.70 118.90 3cd7 s GLU 550 Ca 0.36 -0.64 0.03 0.00 0.02 0.00 0.00 54.97 54.74 3cd7 s GLU 550 Cb -0.06 -2.49 -0.00 0.00 0.10 0.00 0.00 34.13 31.68 3cd7 s GLU 550 CO 0.25 0.57 -0.11 -0.06 0.02 0.00 0.00 175.26 175.93 3cd7 s PHE 551 N -0.59 1.09 -0.47 1.61 0.40 -0.67 -4.90 117.98 114.45 3cd7 s PHE 551 Ca 0.09 -0.27 -0.11 0.00 -0.60 0.00 0.00 56.93 56.04 3cd7 s PHE 551 Cb -0.11 -0.76 0.11 0.00 0.51 0.00 0.00 43.02 42.77 3cd7 s PHE 551 CO 0.01 -0.10 0.36 -0.65 0.70 0.00 0.00 175.22 175.55 3cd7 s GLN 552 N 0.08 2.64 -0.25 0.44 -1.52 -1.26 -1.06 119.66 118.73 3cd7 s GLN 552 Ca -0.02 -1.65 -0.22 0.00 -1.95 0.00 0.00 55.36 51.52 3cd7 s GLN 552 Cb -0.08 -3.98 -0.01 0.00 -0.22 0.00 0.00 33.01 28.72 3cd7 s GLN 552 CO 0.01 -1.15 0.70 0.08 -0.25 0.00 0.00 175.29 174.68 3cd7 s VAL 553 N 1.44 4.92 0.24 1.09 1.01 -0.62 -4.63 120.40 123.85 3cd7 s VAL 553 Ca 0.04 1.28 -0.30 0.00 0.00 0.00 0.00 61.98 63.00 3cd7 s VAL 553 Cb -0.26 -4.01 -0.09 0.00 0.00 0.00 0.00 36.38 32.02 3cd7 s VAL 553 CO 0.01 -0.02 0.95 -2.16 0.00 0.00 0.00 175.10 173.87 3cd7 s PRO 554 N 2.64 4.85 -0.17 2.72 0.04 -1.26 -1.47 135.00 142.36 3cd7 s PRO 554 Ca 0.29 1.50 -0.04 0.00 0.04 0.00 0.00 61.00 62.79 3cd7 s PRO 554 Cb -0.15 -3.28 0.06 0.00 0.04 0.00 0.00 34.50 31.17 3cd7 s PRO 554 CO 0.08 0.51 0.08 -1.64 0.04 0.00 0.00 177.00 176.07 3cd7 s MET 555 N -1.18 0.19 -0.46 4.56 -1.94 -0.45 -4.20 119.30 115.82 3cd7 s MET 555 Ca 0.41 -0.13 -0.23 0.00 -1.71 0.00 0.00 55.69 54.04 3cd7 s MET 555 Cb -0.26 -1.82 0.03 0.00 2.01 0.00 0.00 34.83 34.79 3cd7 s MET 555 CO 0.32 -0.64 0.76 0.00 -0.01 0.00 0.00 175.02 175.45 3cd7 s ALA 556 N 2.08 3.30 0.12 3.03 0.00 -0.09 -1.47 121.76 128.72 3cd7 s ALA 556 Ca 0.02 -1.09 -0.14 0.00 0.00 0.00 0.00 51.96 50.75 3cd7 s ALA 556 Cb -0.16 -3.45 0.02 0.00 0.00 0.00 0.00 23.12 19.53 3cd7 s ALA 556 CO -0.08 -1.93 0.34 -0.08 0.00 0.00 0.00 175.76 174.00 3cd7 s THR 557 N 3.21 0.09 -0.34 0.00 -1.32 -0.36 -4.29 115.64 112.63 3cd7 s THR 557 Ca 0.28 -0.79 0.08 0.00 -1.21 0.00 0.00 61.69 60.06 3cd7 s THR 557 Cb -0.13 -1.26 0.21 0.00 -1.51 0.00 0.00 72.50 69.81 3cd7 s THR 557 CO 0.21 -0.40 1.16 0.35 -2.21 0.00 0.00 174.62 173.73 3cd7 n THR 558 N -0.18 1.30 -3.27 5.08 -2.24 -1.26 -4.09 114.28 109.61 3cd7 n THR 558 Ca -0.15 -1.31 -0.40 0.00 -2.27 0.00 0.00 64.05 59.92 3cd7 n THR 558 Cb 0.63 0.29 -0.08 0.00 -2.10 0.00 0.00 70.33 69.07 3cd7 n THR 558 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3cd7 s GLU 559 N -1.52 3.82 0.54 -0.78 2.12 -1.26 -5.04 118.70 116.58 3cd7 s GLU 559 Ca 0.18 0.01 -0.22 0.00 0.36 0.00 0.00 54.97 55.30 3cd7 s GLU 559 Cb 0.13 -3.73 -0.05 0.00 0.26 0.00 0.00 34.13 30.73 3cd7 s GLU 559 CO 0.07 -0.48 1.31 0.20 -0.54 0.00 0.00 175.26 175.81 3cd7 s GLY 560 N 1.68 2.86 0.00 -1.50 0.00 -1.26 -2.84 107.32 106.25 3cd7 s GLY 560 Ca 0.18 1.23 0.00 0.00 0.00 0.00 0.00 44.72 46.13 3cd7 s GLY 560 CO 0.11 1.72 0.00 0.00 0.00 0.00 0.00 173.10 174.94 3cd7 h LEU 562 N 0.00 -0.10 -0.72 0.00 5.85 -1.96 -0.28 115.31 118.10 3cd7 h LEU 562 Ca 0.00 -0.38 -0.06 0.00 0.84 0.00 0.00 57.88 58.28 3cd7 h LEU 562 Cb 0.00 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.03 3cd7 h LEU 562 CO 0.00 0.35 0.23 0.58 -0.34 0.00 0.00 178.44 179.26 3cd7 h VAL 563 N -0.59 1.26 -0.77 1.05 2.07 -1.90 -1.40 116.25 115.97 3cd7 h VAL 563 Ca -0.01 -0.89 -0.04 0.00 0.82 0.00 0.00 66.70 66.58 3cd7 h VAL 563 Cb 0.48 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 30.69 3cd7 h VAL 563 CO 0.02 0.35 0.33 0.00 0.02 0.00 0.00 177.57 178.29 3cd7 h ALA 564 N 1.11 0.99 -0.17 1.67 0.00 -1.91 -0.93 119.26 120.03 3cd7 h ALA 564 Ca 0.23 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 3cd7 h ALA 564 Cb 0.30 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 3cd7 h ALA 564 CO -0.01 0.60 -0.25 1.03 0.00 0.00 0.00 179.25 180.62 3cd7 h SER 565 N 1.10 0.51 -0.72 0.00 0.87 -0.78 -2.46 113.55 112.06 3cd7 h SER 565 Ca 0.26 -0.52 0.05 0.00 -1.23 0.00 0.00 61.79 60.35 3cd7 h SER 565 Cb 0.18 -0.14 -0.04 0.00 -0.44 0.00 0.00 62.40 61.95 3cd7 h SER 565 CO -0.03 0.93 0.47 0.74 -0.53 0.00 0.00 176.83 178.42 3cd7 h THR 566 N 0.10 1.07 -0.53 2.23 2.02 -1.15 -2.19 112.91 114.45 3cd7 h THR 566 Ca 0.02 -0.28 -0.11 0.00 0.77 0.00 0.00 66.41 66.81 3cd7 h THR 566 Cb 0.82 0.18 -0.02 0.00 -1.74 0.00 0.00 68.15 67.39 3cd7 h THR 566 CO 0.06 0.15 -0.08 -1.13 0.37 0.00 0.00 175.52 174.88 3cd7 h ASN 567 N 0.82 0.98 -0.82 4.18 -0.73 -0.99 -1.34 115.58 117.67 3cd7 h ASN 567 Ca 0.30 -0.31 -0.03 0.00 1.87 0.00 0.00 56.30 58.13 3cd7 h ASN 567 Cb 0.15 -0.26 -0.04 0.00 0.27 0.00 0.00 38.32 38.44 3cd7 h ASN 567 CO -0.09 1.08 0.39 -0.09 -0.37 0.00 0.00 177.43 178.34 3cd7 h ARG 568 N 0.88 1.19 -0.46 6.67 2.43 -0.94 -0.87 114.38 123.29 3cd7 h ARG 568 Ca 0.14 -0.18 -0.05 0.00 -0.81 0.00 0.00 59.98 59.09 3cd7 h ARG 568 Cb 0.63 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.95 3cd7 h ARG 568 CO 0.04 0.92 0.09 0.78 -1.51 0.00 0.00 179.97 180.29 3cd7 h GLY 569 N 1.19 0.76 1.09 2.80 0.00 -1.08 -0.96 103.07 106.89 3cd7 h GLY 569 Ca 0.28 -0.44 -0.08 0.00 0.00 0.00 0.00 47.33 47.10 3cd7 h GLY 569 CO -0.03 0.41 0.13 0.00 0.00 0.00 0.00 176.54 177.04 3cd7 h ARG 571 N 1.04 0.67 -0.37 0.00 9.65 -0.78 -1.77 114.38 122.83 3cd7 h ARG 571 Ca 0.21 -0.30 -0.05 0.00 -1.10 0.00 0.00 59.98 58.74 3cd7 h ARG 571 Cb 0.42 -0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 28.97 3cd7 h ARG 571 CO 0.01 0.90 0.05 0.00 2.80 0.00 0.00 179.97 183.73 3cd7 h ALA 572 N 1.08 0.49 -0.69 2.80 0.00 -1.10 -2.64 119.26 119.20 3cd7 h ALA 572 Ca 0.07 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 3cd7 h ALA 572 Cb 0.82 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 3cd7 h ALA 572 CO 0.07 0.21 0.23 0.82 0.00 0.00 0.00 179.25 180.57 3cd7 h ILE 573 N 0.45 1.25 -0.69 0.00 2.04 -1.34 -2.86 117.51 116.37 3cd7 h ILE 573 Ca 0.11 -0.86 -0.01 0.00 1.00 0.00 0.00 64.86 65.10 3cd7 h ILE 573 Cb 0.38 0.51 -0.03 0.00 -0.74 0.00 0.00 36.82 36.93 3cd7 h ILE 573 CO 0.01 0.34 0.41 1.23 0.00 0.00 0.00 178.15 180.13 3cd7 h GLY 574 N 1.01 1.01 2.00 5.37 0.00 -1.20 -0.82 103.07 110.44 3cd7 h GLY 574 Ca 0.22 -0.43 0.00 0.00 0.00 0.00 0.00 47.33 47.12 3cd7 h GLY 574 CO -0.01 0.42 0.00 1.41 0.00 0.00 0.00 176.54 178.36 3cd7 h LEU 575 N 0.94 0.00 -2.70 3.11 3.38 -1.42 -2.73 115.31 115.90 3cd7 h LEU 575 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 3cd7 h LEU 575 Cb -0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.74 3cd7 h LEU 575 CO -0.04 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.10 3cd7 n GLY 576 N 0.34 2.32 1.32 0.83 0.00 -0.75 -4.84 105.19 104.41 3cd7 n GLY 576 Ca 0.03 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.35 3cd7 n GLY 576 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cd7 n GLY 577 N 0.85 0.70 0.00 -0.02 0.00 -1.03 -4.61 105.19 101.09 3cd7 n GLY 577 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 3cd7 n GLY 577 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cd7 n GLY 578 N -2.57 -0.85 3.93 -0.02 0.00 -0.39 -4.96 105.19 100.33 3cd7 n GLY 578 Ca 0.00 -1.66 -0.27 0.00 0.00 0.00 0.00 46.02 44.08 3cd7 n GLY 578 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cd7 s ALA 579 N -2.10 3.93 -0.03 4.61 0.00 0.11 -4.68 121.76 123.59 3cd7 s ALA 579 Ca 0.00 -0.93 0.06 0.00 0.00 0.00 0.00 51.96 51.09 3cd7 s ALA 579 Cb 0.00 -1.86 -0.01 0.00 0.00 0.00 0.00 23.12 21.25 3cd7 s ALA 579 CO 0.00 0.56 -0.21 -1.12 0.00 0.00 0.00 175.76 174.99 3cd7 s SER 580 N -3.07 2.51 0.11 0.00 0.01 -0.69 -0.31 113.70 112.26 3cd7 s SER 580 Ca 0.36 -0.40 0.02 0.00 1.31 0.00 0.00 55.95 57.24 3cd7 s SER 580 Cb -0.11 -0.50 -0.04 0.00 0.21 0.00 0.00 66.02 65.57 3cd7 s SER 580 CO 0.28 0.22 -0.07 -0.94 0.41 0.00 0.00 173.24 173.15 3cd7 s SER 581 N -0.26 1.25 -0.05 2.44 1.04 -1.26 -1.09 113.70 115.78 3cd7 s SER 581 Ca 0.02 -1.02 -0.04 0.00 0.48 0.00 0.00 55.95 55.39 3cd7 s SER 581 Cb -0.10 0.08 0.02 0.00 0.10 0.00 0.00 66.02 66.11 3cd7 s SER 581 CO 0.01 -0.45 0.12 -0.13 0.98 0.00 0.00 173.24 173.77 3cd7 s ARG 582 N -3.83 0.12 -0.21 4.02 1.81 -0.48 -5.00 118.95 115.39 3cd7 s ARG 582 Ca 0.14 0.20 -0.25 0.00 -1.72 0.00 0.00 55.73 54.09 3cd7 s ARG 582 Cb 0.05 0.01 -0.01 0.00 -0.45 0.00 0.00 34.95 34.55 3cd7 s ARG 582 CO -0.03 -0.05 0.84 0.08 -0.68 0.00 0.00 175.30 175.46 3cd7 s VAL 583 N 0.29 4.85 -0.14 3.52 1.01 -1.26 -1.95 120.40 126.72 3cd7 s VAL 583 Ca -0.02 1.62 0.16 0.00 0.00 0.00 0.00 61.98 63.74 3cd7 s VAL 583 Cb -0.03 -4.13 -0.24 0.00 0.00 0.00 0.00 36.38 31.97 3cd7 s VAL 583 CO -0.01 -0.03 0.30 0.18 0.00 0.00 0.00 175.10 175.54 3cd7 n LEU 584 N 5.63 0.32 -3.58 3.92 4.77 0.12 -4.99 117.00 123.18 3cd7 n LEU 584 Ca 0.05 0.15 -0.13 0.00 -0.03 0.00 0.00 56.01 56.06 3cd7 n LEU 584 Cb 0.48 0.37 -0.05 0.00 -2.33 0.00 0.00 43.42 41.89 3cd7 n LEU 584 CO 0.48 0.44 0.25 0.00 -1.33 0.00 0.00 177.39 177.23 3cd7 s ALA 585 N -2.56 -1.23 -0.27 -1.18 0.00 -1.19 -4.97 121.76 110.36 3cd7 s ALA 585 Ca -0.08 0.40 -0.02 0.00 0.00 0.00 0.00 51.96 52.26 3cd7 s ALA 585 Cb 0.07 0.52 0.16 0.00 0.00 0.00 0.00 23.12 23.86 3cd7 s ALA 585 CO 0.83 -0.57 0.47 0.34 0.00 0.00 0.00 175.76 176.83 3cd7 s ASP 586 N -2.27 -0.42 0.00 0.00 -1.08 -1.25 -0.95 116.67 110.71 3cd7 s ASP 586 Ca -0.03 0.49 0.00 0.00 -0.52 0.00 0.00 52.55 52.50 3cd7 s ASP 586 Cb -0.00 1.54 0.00 0.00 -1.46 0.00 0.00 42.92 43.00 3cd7 s ASP 586 CO -0.06 -0.28 0.00 0.61 0.52 0.00 0.00 175.17 175.96 3cd7 n GLY 587 N 5.39 0.81 3.78 2.66 0.00 -0.31 -4.45 105.19 113.07 3cd7 n GLY 587 Ca -0.03 0.60 -0.34 0.00 0.00 0.00 0.00 46.02 46.25 3cd7 n GLY 587 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3cd7 s MET 588 N 0.00 3.33 0.21 1.61 1.75 -0.72 -1.37 119.30 124.11 3cd7 s MET 588 Ca 0.00 1.45 0.07 0.00 -1.25 0.00 0.00 55.69 55.96 3cd7 s MET 588 Cb 0.00 -2.02 -0.05 0.00 2.84 0.00 0.00 34.83 35.60 3cd7 s MET 588 CO 0.00 -0.84 -0.11 0.95 -0.65 0.00 0.00 175.02 174.37 3cd7 s THR 589 N -2.04 1.61 0.00 10.11 -4.23 -1.26 -2.14 115.64 117.69 3cd7 s THR 589 Ca 0.69 -2.17 0.00 0.00 -1.18 0.00 0.00 61.69 59.03 3cd7 s THR 589 Cb -0.20 -2.12 -0.00 0.00 1.34 0.00 0.00 72.50 71.51 3cd7 s THR 589 CO 0.30 -0.54 -0.01 -0.60 -0.54 0.00 0.00 174.62 173.24 3cd7 s ARG 590 N -3.69 0.05 -0.53 3.99 6.06 -0.83 -4.94 118.95 119.07 3cd7 s ARG 590 Ca 0.24 -0.09 0.06 0.00 -2.50 0.00 0.00 55.73 53.44 3cd7 s ARG 590 Cb 0.01 0.00 0.23 0.00 0.06 0.00 0.00 34.95 35.26 3cd7 s ARG 590 CO 0.07 -0.00 0.60 0.41 -2.50 0.00 0.00 175.30 173.88 3cd7 n GLY 591 N 2.87 3.74 3.62 8.12 0.00 -1.26 -1.07 105.19 121.21 3cd7 n GLY 591 Ca -0.14 -2.16 -0.34 0.00 0.00 0.00 0.00 46.02 43.38 3cd7 n GLY 591 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3cd7 n PRO 592 N 1.35 0.23 -4.56 1.61 -0.04 -1.00 -1.00 135.00 131.60 3cd7 n PRO 592 Ca 0.26 0.14 -0.33 0.00 -0.04 0.00 0.00 63.50 63.53 3cd7 n PRO 592 Cb 0.46 -2.26 -0.14 0.00 -0.04 0.00 0.00 33.50 31.52 3cd7 n PRO 592 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3cd7 s VAL 593 N -2.05 3.21 0.34 0.52 0.11 -0.66 -2.15 120.40 119.73 3cd7 s VAL 593 Ca 0.71 -0.59 0.10 0.00 -2.93 0.00 0.00 61.98 59.26 3cd7 s VAL 593 Cb -0.30 -2.38 -0.06 0.00 -1.53 0.00 0.00 36.38 32.10 3cd7 s VAL 593 CO 0.53 0.50 -0.10 0.68 -3.33 0.00 0.00 175.10 173.39 3cd7 s VAL 594 N 0.56 2.26 -0.01 2.04 -7.23 -0.19 -2.28 120.40 115.55 3cd7 s VAL 594 Ca -0.07 -2.21 0.02 0.00 -1.81 0.00 0.00 61.98 57.92 3cd7 s VAL 594 Cb -0.15 -2.64 -0.00 0.00 0.56 0.00 0.00 36.38 34.14 3cd7 s VAL 594 CO 0.03 -0.21 -0.08 -0.13 -0.31 0.00 0.00 175.10 174.41 3cd7 s ARG 595 N -3.61 0.69 0.34 4.82 0.52 -0.10 -0.76 118.95 120.85 3cd7 s ARG 595 Ca 0.32 -0.28 0.08 0.00 -0.52 0.00 0.00 55.73 55.34 3cd7 s ARG 595 Cb 0.02 -0.66 -0.04 0.00 0.52 0.00 0.00 34.95 34.79 3cd7 s ARG 595 CO 0.16 0.15 0.16 -0.51 0.02 0.00 0.00 175.30 175.29 3cd7 s LEU 596 N -0.10 3.32 0.44 2.53 2.01 -0.71 -0.82 118.68 125.34 3cd7 s LEU 596 Ca 0.02 -0.72 0.13 0.00 0.01 0.00 0.00 54.13 53.56 3cd7 s LEU 596 Cb -0.04 -1.81 1.01 0.00 0.01 0.00 0.00 46.19 45.36 3cd7 s LEU 596 CO -0.00 -0.30 2.01 -0.65 1.01 0.00 0.00 176.35 178.42 3cd7 h PRO 597 N 1.51 0.40 -3.95 1.29 0.11 -1.89 -3.45 132.00 126.02 3cd7 h PRO 597 Ca -0.44 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 65.54 3cd7 h PRO 597 Cb 1.25 -0.09 -0.15 0.00 0.11 0.00 0.00 31.00 32.12 3cd7 h PRO 597 CO 0.62 0.26 -0.52 1.03 -0.21 0.00 0.00 178.00 179.19 3cd7 s ARG 598 N -5.38 0.70 0.53 1.05 1.81 -1.26 -5.00 118.95 111.40 3cd7 s ARG 598 Ca -0.08 -0.99 0.21 0.00 -1.72 0.00 0.00 55.73 53.15 3cd7 s ARG 598 Cb 0.19 0.27 1.37 0.00 -0.45 0.00 0.00 34.95 36.33 3cd7 s ARG 598 CO 0.74 -0.18 2.08 0.00 -0.68 0.00 0.00 175.30 177.26 3cd7 h ALA 599 N 3.12 2.19 -0.11 2.13 0.00 -1.86 -0.66 119.26 124.08 3cd7 h ALA 599 Ca -0.34 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.45 3cd7 h ALA 599 Cb 1.18 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 3cd7 h ALA 599 CO 0.58 -0.31 -0.43 0.00 0.00 0.00 0.00 179.25 179.09 3cd7 h ASP 601 N 0.21 0.80 -0.39 0.00 3.32 -1.55 -2.21 116.42 116.60 3cd7 h ASP 601 Ca 0.02 -0.60 -0.05 0.00 0.02 0.00 0.00 57.03 56.42 3cd7 h ASP 601 Cb 0.86 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 40.14 3cd7 h ASP 601 CO 0.07 1.40 0.08 0.77 -1.72 0.00 0.00 179.24 179.83 3cd7 h SER 602 N 0.38 0.67 -0.17 6.45 4.64 -1.30 -2.27 113.55 121.95 3cd7 h SER 602 Ca -0.09 -0.12 -0.11 0.00 -0.47 0.00 0.00 61.79 60.99 3cd7 h SER 602 Cb 1.57 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 63.47 3cd7 h SER 602 CO 0.18 0.69 -0.27 0.00 -0.87 0.00 0.00 176.83 176.56 3cd7 h ALA 603 N 1.40 0.94 -0.87 5.18 0.00 -1.35 -1.76 119.26 122.81 3cd7 h ALA 603 Ca 0.15 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 3cd7 h ALA 603 Cb 0.31 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 3cd7 h ALA 603 CO 0.00 0.61 0.43 1.49 0.00 0.00 0.00 179.25 181.78 3cd7 h GLU 604 N 0.56 1.24 -0.25 0.00 4.81 -0.95 -1.51 114.58 118.48 3cd7 h GLU 604 Ca 0.07 -0.17 -0.15 0.00 -0.13 0.00 0.00 59.36 58.98 3cd7 h GLU 604 Cb 0.75 -0.23 -0.00 0.00 0.63 0.00 0.00 28.75 29.90 3cd7 h GLU 604 CO 0.06 0.94 -0.41 0.28 -0.73 0.00 0.00 179.01 179.14 3cd7 h VAL 605 N 1.23 1.30 -0.44 0.32 2.07 -1.22 -1.60 116.25 117.92 3cd7 h VAL 605 Ca 0.30 -1.62 0.04 0.00 0.82 0.00 0.00 66.70 66.24 3cd7 h VAL 605 Cb 0.10 1.72 -0.04 0.00 -1.52 0.00 0.00 31.29 31.55 3cd7 h VAL 605 CO -0.04 0.51 0.20 0.50 0.02 0.00 0.00 177.57 178.77 3cd7 h LYS 606 N 0.45 0.40 -0.56 1.57 3.64 -1.22 -0.15 116.57 120.70 3cd7 h LYS 606 Ca 0.02 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 3cd7 h LYS 606 Cb 1.01 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.72 3cd7 h LYS 606 CO 0.09 0.26 0.31 0.00 -2.27 0.00 0.00 179.45 177.84 3cd7 h ALA 607 N 1.25 0.72 -0.42 5.00 0.00 -1.17 -1.88 119.26 122.77 3cd7 h ALA 607 Ca 0.19 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3cd7 h ALA 607 Cb 0.12 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3cd7 h ALA 607 CO -0.15 0.24 0.22 2.35 0.00 0.00 0.00 179.25 181.91 3cd7 h TRP 608 N 0.76 0.58 0.00 0.00 7.01 -1.01 -2.50 115.95 120.79 3cd7 h TRP 608 Ca 0.20 -0.02 -0.02 0.00 2.11 0.00 0.00 58.89 61.16 3cd7 h TRP 608 Cb 0.05 -0.18 -0.00 0.00 -2.10 0.00 0.00 29.16 26.92 3cd7 h TRP 608 CO -0.01 0.46 -0.11 -0.07 -2.79 0.00 0.00 178.44 175.92 3cd7 h LEU 609 N 0.54 0.00 0.00 0.65 3.38 -0.77 -2.76 115.31 116.35 3cd7 h LEU 609 Ca 0.14 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 3cd7 h LEU 609 Cb 0.08 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 3cd7 h LEU 609 CO -0.02 0.11 -0.50 -0.33 0.09 0.00 0.00 178.44 177.78 3cd7 h GLU 610 N 0.00 0.00 -7.11 1.13 5.08 -0.92 -3.29 114.58 109.47 3cd7 h GLU 610 Ca -0.00 0.00 -0.51 0.00 -1.00 0.00 0.00 59.36 57.85 3cd7 h GLU 610 Cb 0.26 0.00 0.08 0.00 0.50 0.00 0.00 28.75 29.59 3cd7 h GLU 610 CO 0.01 0.07 0.43 0.95 -1.00 0.00 0.00 179.01 179.47 3cd7 s THR 611 N -3.22 3.10 0.28 1.13 -4.23 -1.01 -4.91 115.64 106.77 3cd7 s THR 611 Ca 0.03 0.65 -0.02 0.00 -1.18 0.00 0.00 61.69 61.18 3cd7 s THR 611 Cb 0.07 -3.24 0.17 0.00 1.34 0.00 0.00 72.50 70.84 3cd7 s THR 611 CO 0.73 -0.18 1.84 0.77 -0.54 0.00 0.00 174.62 177.24 3cd7 h SER 612 N 0.96 0.82 -0.40 3.99 4.64 -1.88 -1.44 113.55 120.25 3cd7 h SER 612 Ca -0.50 -0.13 -0.15 0.00 -0.47 0.00 0.00 61.79 60.54 3cd7 h SER 612 Cb 1.26 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 63.13 3cd7 h SER 612 CO 0.56 0.77 -0.35 1.05 -0.87 0.00 0.00 176.83 177.99 3cd7 h GLU 613 N 0.87 0.95 -0.01 4.77 9.09 -1.92 -1.54 114.58 126.78 3cd7 h GLU 613 Ca 0.20 -0.48 -0.00 0.00 0.05 0.00 0.00 59.36 59.13 3cd7 h GLU 613 Cb 0.24 0.01 -0.00 0.00 -1.65 0.00 0.00 28.75 27.34 3cd7 h GLU 613 CO -0.01 1.14 -0.00 0.78 0.05 0.00 0.00 179.01 180.97 3cd7 h GLY 614 N 0.80 0.02 1.22 1.06 0.00 -1.65 -2.40 103.07 102.13 3cd7 h GLY 614 Ca 0.07 -0.02 0.04 0.00 0.00 0.00 0.00 47.33 47.42 3cd7 h GLY 614 CO 0.09 0.02 0.44 -2.75 0.00 0.00 0.00 176.54 174.33 3cd7 h PHE 615 N -0.31 0.75 -0.44 5.60 3.57 -1.27 -2.29 116.94 122.56 3cd7 h PHE 615 Ca 0.00 0.02 -0.13 0.00 3.53 0.00 0.00 57.97 61.39 3cd7 h PHE 615 Cb 0.33 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 38.81 3cd7 h PHE 615 CO 0.04 0.43 -0.25 0.00 -2.23 0.00 0.00 178.31 176.30 3cd7 h ALA 616 N 1.62 0.72 -0.50 2.41 0.00 -1.15 0.97 119.26 123.33 3cd7 h ALA 616 Ca 0.27 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3cd7 h ALA 616 Cb 0.10 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3cd7 h ALA 616 CO -0.08 0.67 0.27 0.28 0.00 0.00 0.00 179.25 180.39 3cd7 h VAL 617 N 0.79 1.17 -0.22 0.00 2.07 -1.07 -1.50 116.25 117.50 3cd7 h VAL 617 Ca 0.10 -0.44 -0.15 0.00 0.82 0.00 0.00 66.70 67.03 3cd7 h VAL 617 Cb 0.82 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 3cd7 h VAL 617 CO 0.07 0.18 -0.48 0.40 0.02 0.00 0.00 177.57 177.77 3cd7 h ILE 618 N 0.66 1.31 -0.48 4.57 1.08 -1.19 -2.80 117.51 120.66 3cd7 h ILE 618 Ca 0.18 -1.68 -0.08 0.00 -0.39 0.00 0.00 64.86 62.88 3cd7 h ILE 618 Cb 0.05 1.66 -0.02 0.00 -3.07 0.00 0.00 36.82 35.44 3cd7 h ILE 618 CO -0.03 0.53 -0.02 0.50 -0.69 0.00 0.00 178.15 178.44 3cd7 h LYS 619 N 0.46 0.85 -0.92 2.37 3.64 -0.69 -1.65 116.57 120.62 3cd7 h LYS 619 Ca 0.03 -0.28 0.01 0.00 -1.27 0.00 0.00 60.65 59.13 3cd7 h LYS 619 Cb 1.00 -0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 32.70 3cd7 h LYS 619 CO 0.09 0.90 0.60 1.49 -2.27 0.00 0.00 179.45 180.27 3cd7 h GLU 620 N 0.70 1.22 0.31 1.90 4.81 -1.21 0.43 114.58 122.75 3cd7 h GLU 620 Ca 0.13 -0.08 -0.02 0.00 -0.13 0.00 0.00 59.36 59.27 3cd7 h GLU 620 Cb 0.53 -0.27 0.00 0.00 0.63 0.00 0.00 28.75 29.64 3cd7 h GLU 620 CO 0.03 0.82 -0.15 0.00 -0.73 0.00 0.00 179.01 178.98 3cd7 h ALA 621 N 1.33 -0.42 -0.35 2.92 0.00 -1.33 -2.43 119.26 118.99 3cd7 h ALA 621 Ca 0.34 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 55.12 3cd7 h ALA 621 Cb -0.13 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 3cd7 h ALA 621 CO -0.07 -0.64 0.16 0.35 0.00 0.00 0.00 179.25 179.05 3cd7 h PHE 622 N -0.61 0.30 0.00 0.00 3.57 -1.16 -2.77 116.94 116.28 3cd7 h PHE 622 Ca -0.04 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.45 3cd7 h PHE 622 Cb 0.44 -0.08 -0.00 0.00 2.79 0.00 0.00 35.95 39.09 3cd7 h PHE 622 CO -0.01 0.15 -0.12 -0.44 -2.23 0.00 0.00 178.31 175.66 3cd7 h ASP 623 N 0.34 0.00 0.85 0.41 5.19 -0.93 -3.04 116.42 119.24 3cd7 h ASP 623 Ca 0.15 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.56 3cd7 h ASP 623 Cb 0.07 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.58 3cd7 h ASP 623 CO -0.11 0.12 0.00 0.77 -3.12 0.00 0.00 179.24 176.90 3cd7 h SER 624 N 0.00 0.00 1.85 6.45 4.64 -1.12 -3.24 113.55 122.12 3cd7 h SER 624 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3cd7 h SER 624 Cb 0.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 3cd7 h SER 624 CO 0.02 0.00 -0.07 0.71 -0.87 0.00 0.00 176.83 176.62 3cd7 h THR 625 N 0.00 0.00 -2.15 2.95 1.35 -1.65 -3.47 112.91 109.94 3cd7 h THR 625 Ca 0.00 -0.91 -0.03 0.00 -0.55 0.00 0.00 66.41 64.91 3cd7 h THR 625 Cb 0.43 1.88 -0.18 0.00 -1.73 0.00 0.00 68.15 68.55 3cd7 h THR 625 CO 0.00 0.00 0.24 -0.55 -0.25 0.00 0.00 175.52 174.96 3cd7 s SER 626 N -5.88 -0.60 0.51 5.36 0.15 -1.22 -4.96 113.70 107.04 3cd7 s SER 626 Ca 0.07 0.53 0.28 0.00 0.70 0.00 0.00 55.95 57.53 3cd7 s SER 626 Cb 0.06 0.52 1.32 0.00 -1.71 0.00 0.00 66.02 66.22 3cd7 s SER 626 CO 0.67 -0.65 2.00 0.08 1.20 0.00 0.00 173.24 176.53 3cd7 h ARG 627 N 2.74 0.00 -0.01 5.44 0.11 -1.92 -2.63 114.38 118.11 3cd7 h ARG 627 Ca -0.27 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.81 3cd7 h ARG 627 Cb 1.18 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.26 3cd7 h ARG 627 CO 0.38 0.14 -0.60 1.19 0.10 0.00 0.00 179.97 181.17 3cd7 n PHE 628 N -3.48 0.00 -2.06 4.08 0.99 -1.26 -4.88 117.46 110.85 3cd7 n PHE 628 Ca -0.01 0.00 -0.40 0.00 -0.00 0.00 0.00 57.45 57.04 3cd7 n PHE 628 Cb 0.30 -0.05 -0.03 0.00 -1.00 0.00 0.00 39.48 38.70 3cd7 n PHE 628 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3cd7 s ALA 629 N -2.71 2.41 -0.41 4.37 0.00 -0.99 -4.39 121.76 120.03 3cd7 s ALA 629 Ca 0.15 -0.42 0.01 0.00 0.00 0.00 0.00 51.96 51.71 3cd7 s ALA 629 Cb 0.18 -4.21 0.13 0.00 0.00 0.00 0.00 23.12 19.22 3cd7 s ALA 629 CO 0.67 -3.48 0.22 1.03 0.00 0.00 0.00 175.76 174.20 3cd7 s ARG 630 N 6.54 1.08 0.08 0.00 3.00 -1.26 -4.31 118.95 124.09 3cd7 s ARG 630 Ca 0.69 -1.79 -0.31 0.00 0.00 0.00 0.00 55.73 54.32 3cd7 s ARG 630 Cb -0.15 -2.08 -0.08 0.00 0.00 0.00 0.00 34.95 32.64 3cd7 s ARG 630 CO 0.24 -1.16 1.62 -1.17 0.00 0.00 0.00 175.30 174.83 3cd7 s LEU 631 N 0.59 4.36 0.81 2.53 2.96 -1.26 -4.36 118.68 124.31 3cd7 s LEU 631 Ca 0.17 2.49 -0.05 0.00 -0.22 0.00 0.00 54.13 56.52 3cd7 s LEU 631 Cb -0.24 -3.57 0.16 0.00 0.50 0.00 0.00 46.19 43.05 3cd7 s LEU 631 CO -0.01 -0.86 1.11 -1.10 -1.32 0.00 0.00 176.35 174.17 3cd7 s GLN 632 N 2.35 1.26 0.12 1.98 -0.21 0.47 -5.01 119.66 120.61 3cd7 s GLN 632 Ca 0.73 -1.01 -0.35 0.00 0.02 0.00 0.00 55.36 54.75 3cd7 s GLN 632 Cb -0.40 -2.19 -0.17 0.00 1.00 0.00 0.00 33.01 31.25 3cd7 s GLN 632 CO 0.32 -1.81 1.11 1.17 -2.12 0.00 0.00 175.29 173.95 3cd7 n LYS 633 N -3.14 0.76 -2.63 2.91 3.00 -1.26 -4.64 118.16 113.15 3cd7 n LYS 633 Ca 0.16 0.27 -0.35 0.00 -0.00 0.00 0.00 58.31 58.40 3cd7 n LYS 633 Cb 0.60 -1.75 -0.05 0.00 0.00 0.00 0.00 35.03 33.84 3cd7 n LYS 633 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 3cd7 s LEU 634 N 0.72 4.01 -0.09 3.14 1.02 -1.26 -4.66 118.68 121.55 3cd7 s LEU 634 Ca 0.79 1.90 0.01 0.00 0.02 0.00 0.00 54.13 56.85 3cd7 s LEU 634 Cb -0.98 -4.38 0.02 0.00 0.02 0.00 0.00 46.19 40.86 3cd7 s LEU 634 CO 0.53 -0.53 -0.12 -2.28 0.02 0.00 0.00 176.35 173.97 3cd7 s HIS 635 N -1.89 1.64 0.12 0.29 5.65 -1.11 -5.01 115.29 114.98 3cd7 s HIS 635 Ca 0.61 -0.72 0.07 0.00 0.25 0.00 0.00 55.06 55.27 3cd7 s HIS 635 Cb -0.17 -1.23 -0.04 0.00 -1.18 0.00 0.00 32.58 29.96 3cd7 s HIS 635 CO 0.21 -0.41 -0.16 0.95 -0.65 0.00 0.00 174.74 174.68 3cd7 s THR 636 N 1.04 1.46 -0.00 0.89 -4.23 -1.26 -0.35 115.64 113.19 3cd7 s THR 636 Ca -0.07 -1.64 0.00 0.00 -1.18 0.00 0.00 61.69 58.80 3cd7 s THR 636 Cb -0.15 -1.51 0.01 0.00 1.34 0.00 0.00 72.50 72.19 3cd7 s THR 636 CO -0.01 -0.29 0.01 -0.55 -0.54 0.00 0.00 174.62 173.24 3cd7 s SER 637 N -2.25 0.02 -0.07 3.99 0.15 -0.23 -4.98 113.70 110.33 3cd7 s SER 637 Ca 0.08 0.01 -0.02 0.00 0.70 0.00 0.00 55.95 56.72 3cd7 s SER 637 Cb -0.07 -0.02 -0.03 0.00 -1.71 0.00 0.00 66.02 64.19 3cd7 s SER 637 CO 0.04 -0.03 0.03 -0.63 1.20 0.00 0.00 173.24 173.85 3cd7 s ILE 638 N 0.23 4.49 -0.37 6.45 1.01 -1.26 -0.37 121.20 131.38 3cd7 s ILE 638 Ca -0.02 -0.25 0.01 0.00 0.00 0.00 0.00 60.65 60.39 3cd7 s ILE 638 Cb -0.03 -2.93 0.15 0.00 0.01 0.00 0.00 42.46 39.66 3cd7 s ILE 638 CO -0.01 0.55 0.25 0.00 0.00 0.00 0.00 174.94 175.73 3cd7 s ALA 639 N -0.96 1.12 0.00 9.38 0.00 -0.68 -5.02 121.76 125.59 3cd7 s ALA 639 Ca 0.15 -2.06 0.00 0.00 0.00 0.00 0.00 51.96 50.06 3cd7 s ALA 639 Cb -0.11 -1.62 0.00 0.00 0.00 0.00 0.00 23.12 21.39 3cd7 s ALA 639 CO 0.05 -2.07 0.00 0.41 0.00 0.00 0.00 175.76 174.15 3cd7 n GLY 640 N 3.70 2.69 0.36 0.00 0.00 -1.26 -2.27 105.19 108.41 3cd7 n GLY 640 Ca 0.17 -0.27 0.13 0.00 0.00 0.00 0.00 46.02 46.04 3cd7 n GLY 640 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3cd7 n ARG 641 N 12.91 1.20 -2.48 1.61 1.85 -1.26 -4.22 116.66 126.26 3cd7 n ARG 641 Ca 0.00 -0.73 -0.41 0.00 -1.00 0.00 0.00 57.85 55.71 3cd7 n ARG 641 Cb 0.00 -1.48 -0.04 0.00 -1.05 0.00 0.00 32.46 29.89 3cd7 n ARG 641 CO 0.00 0.00 0.00 -0.80 -0.01 0.00 0.00 177.63 176.82 3cd7 s ASN 642 N -2.30 7.23 -0.10 2.89 0.01 -0.96 -1.74 114.94 119.97 3cd7 s ASN 642 Ca 0.29 2.15 0.02 0.00 -0.71 0.00 0.00 52.86 54.61 3cd7 s ASN 642 Cb 0.20 -2.61 0.01 0.00 0.41 0.00 0.00 41.25 39.26 3cd7 s ASN 642 CO 0.45 -0.24 -0.16 -0.22 -1.51 0.00 0.00 177.10 175.42 3cd7 s LEU 643 N -0.51 1.77 -0.20 0.60 2.96 0.06 -1.69 118.68 121.66 3cd7 s LEU 643 Ca 0.49 -0.42 -0.06 0.00 -0.22 0.00 0.00 54.13 53.92 3cd7 s LEU 643 Cb -0.30 -1.09 -0.03 0.00 0.50 0.00 0.00 46.19 45.26 3cd7 s LEU 643 CO 0.36 0.04 0.04 -0.31 -1.32 0.00 0.00 176.35 175.17 3cd7 s TYR 644 N 0.80 3.12 -0.18 5.38 1.51 0.51 -1.02 117.35 127.46 3cd7 s TYR 644 Ca -0.11 -0.23 0.01 0.00 -1.01 0.00 0.00 57.07 55.73 3cd7 s TYR 644 Cb -0.16 -2.11 0.03 0.00 -0.11 0.00 0.00 41.96 39.61 3cd7 s TYR 644 CO 0.01 -0.11 -0.15 0.42 -1.11 0.00 0.00 175.55 174.61 3cd7 s ILE 645 N 0.88 1.84 -0.45 2.71 1.01 -0.91 -1.07 121.20 125.21 3cd7 s ILE 645 Ca 0.03 -0.94 -0.15 0.00 0.00 0.00 0.00 60.65 59.59 3cd7 s ILE 645 Cb -0.14 -1.76 0.06 0.00 0.01 0.00 0.00 42.46 40.63 3cd7 s ILE 645 CO 0.02 0.38 0.36 -0.60 0.00 0.00 0.00 174.94 175.10 3cd7 s ARG 646 N 1.35 2.96 0.04 2.79 3.52 0.53 -2.99 118.95 127.15 3cd7 s ARG 646 Ca 0.02 -1.27 -0.18 0.00 -0.13 0.00 0.00 55.73 54.17 3cd7 s ARG 646 Cb -0.14 -4.07 -0.06 0.00 -1.56 0.00 0.00 34.95 29.11 3cd7 s ARG 646 CO -0.10 -0.95 0.53 -0.06 -0.81 0.00 0.00 175.30 173.90 3cd7 s PHE 647 N 1.64 3.77 -0.04 5.12 0.40 -0.23 -2.77 117.98 125.87 3cd7 s PHE 647 Ca 0.04 1.19 -0.02 0.00 -0.60 0.00 0.00 56.93 57.54 3cd7 s PHE 647 Cb -0.23 -2.46 0.02 0.00 0.51 0.00 0.00 43.02 40.86 3cd7 s PHE 647 CO 0.07 0.56 0.09 -1.14 0.70 0.00 0.00 175.22 175.50 3cd7 s GLN 648 N -0.95 0.07 -0.06 0.44 0.74 -1.26 -1.96 119.66 116.68 3cd7 s GLN 648 Ca 0.28 0.19 -0.30 0.00 0.05 0.00 0.00 55.36 55.58 3cd7 s GLN 648 Cb -0.19 -0.06 0.09 0.00 1.10 0.00 0.00 33.01 33.95 3cd7 s GLN 648 CO 0.17 -0.08 0.79 0.45 -0.55 0.00 0.00 175.29 176.07 3cd7 s SER 649 N 0.49 -0.54 1.06 6.67 0.15 -0.91 -0.40 113.70 120.23 3cd7 s SER 649 Ca -0.04 0.48 -0.15 0.00 0.70 0.00 0.00 55.95 56.95 3cd7 s SER 649 Cb -0.05 0.46 0.22 0.00 -1.71 0.00 0.00 66.02 64.94 3cd7 s SER 649 CO -0.02 -0.57 1.11 -0.13 1.20 0.00 0.00 173.24 174.84 3cd7 s ARG 650 N -1.61 -0.11 -0.34 5.44 0.52 -1.26 -1.76 118.95 119.83 3cd7 s ARG 650 Ca -0.05 0.24 0.14 0.00 -0.52 0.00 0.00 55.73 55.54 3cd7 s ARG 650 Cb -0.00 -1.70 0.43 0.00 0.52 0.00 0.00 34.95 34.19 3cd7 s ARG 650 CO 0.03 -3.03 1.40 -1.13 0.02 0.00 0.00 175.30 172.59 3cd7 n SER 651 N -4.34 -0.88 0.00 0.23 3.41 -1.26 -4.50 113.62 106.28 3cd7 n SER 651 Ca 0.08 -2.27 0.00 0.00 -0.26 0.00 0.00 58.87 56.42 3cd7 n SER 651 Cb 0.58 0.49 0.00 0.00 -0.26 0.00 0.00 64.21 65.02 3cd7 n SER 651 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3cd7 n GLY 652 N -1.09 2.94 0.44 5.00 0.00 -1.26 -2.38 105.19 108.84 3cd7 n GLY 652 Ca -0.09 -0.23 0.13 0.00 0.00 0.00 0.00 46.02 45.83 3cd7 n GLY 652 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3cd7 n ASP 653 N 1.92 1.59 -4.84 1.61 8.00 -1.26 -3.85 116.55 119.72 3cd7 n ASP 653 Ca 0.00 -1.29 -0.32 0.00 0.71 0.00 0.00 54.79 53.89 3cd7 n ASP 653 Cb 0.00 0.18 -0.00 0.00 -0.02 0.00 0.00 41.12 41.27 3cd7 n ASP 653 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3cd7 s ALA 654 N -2.34 2.98 0.20 2.24 0.00 -1.00 -0.80 121.76 123.05 3cd7 s ALA 654 Ca 0.26 0.12 -0.08 0.00 0.00 0.00 0.00 51.96 52.26 3cd7 s ALA 654 Cb 0.19 -3.13 0.13 0.00 0.00 0.00 0.00 23.12 20.32 3cd7 s ALA 654 CO 0.47 -0.57 1.74 1.98 0.00 0.00 0.00 175.76 179.38 3cd7 h MET 655 N 0.29 1.17 0.00 0.00 4.05 -1.71 -3.43 114.93 115.30 3cd7 h MET 655 Ca -0.46 -0.26 0.00 0.00 -0.28 0.00 0.00 59.70 58.71 3cd7 h MET 655 Cb 1.19 -0.17 0.00 0.00 -0.80 0.00 0.00 31.60 31.83 3cd7 h MET 655 CO 0.60 1.00 0.00 0.41 0.23 0.00 0.00 176.91 179.15 3cd7 n GLY 656 N -0.74 0.94 0.05 1.39 0.00 -1.26 -4.75 105.19 100.82 3cd7 n GLY 656 Ca 0.06 -0.03 -0.12 0.00 0.00 0.00 0.00 46.02 45.93 3cd7 n GLY 656 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3cd7 h MET 657 N 2.63 0.03 -0.84 1.61 2.86 -1.94 -0.30 114.93 118.97 3cd7 h MET 657 Ca 0.00 -0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.61 3cd7 h MET 657 Cb 0.00 -0.01 -0.04 0.00 0.06 0.00 0.00 31.60 31.62 3cd7 h MET 657 CO 0.00 0.15 0.44 -0.91 1.06 0.00 0.00 176.91 177.65 3cd7 h ASN 658 N -0.09 1.07 -0.03 1.22 2.35 -1.99 -0.22 115.58 117.90 3cd7 h ASN 658 Ca 0.01 -0.11 -0.00 0.00 -0.55 0.00 0.00 56.30 55.64 3cd7 h ASN 658 Cb 0.13 -0.27 -0.00 0.00 0.05 0.00 0.00 38.32 38.22 3cd7 h ASN 658 CO -0.00 0.88 0.01 -0.03 -1.65 0.00 0.00 177.43 176.63 3cd7 h MET 659 N 1.18 0.04 -0.70 0.81 4.05 -1.95 -1.90 114.93 116.46 3cd7 h MET 659 Ca 0.29 -0.01 0.04 0.00 -0.28 0.00 0.00 59.70 59.74 3cd7 h MET 659 Cb 0.06 -0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 30.82 3cd7 h MET 659 CO -0.04 0.23 0.46 0.82 0.23 0.00 0.00 176.91 178.61 3cd7 h ILE 660 N -0.16 1.09 -0.33 1.77 1.08 -0.81 -1.84 117.51 118.31 3cd7 h ILE 660 Ca 0.01 -0.28 -0.12 0.00 -0.39 0.00 0.00 64.86 64.08 3cd7 h ILE 660 Cb 0.21 0.19 -0.01 0.00 -3.07 0.00 0.00 36.82 34.15 3cd7 h ILE 660 CO -0.00 0.15 -0.27 0.28 -0.69 0.00 0.00 178.15 177.62 3cd7 h SER 661 N 0.82 0.80 0.28 1.72 0.02 -0.88 -0.05 113.55 116.25 3cd7 h SER 661 Ca 0.28 -0.45 -0.01 0.00 -0.84 0.00 0.00 61.79 60.77 3cd7 h SER 661 Cb 0.09 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.41 3cd7 h SER 661 CO -0.08 1.08 -0.13 0.50 -1.14 0.00 0.00 176.83 177.06 3cd7 h LYS 662 N 0.53 -0.36 -0.65 3.45 3.64 -1.00 -1.33 116.57 120.85 3cd7 h LYS 662 Ca 0.06 0.02 0.09 0.00 -1.27 0.00 0.00 60.65 59.55 3cd7 h LYS 662 Cb 0.83 0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.70 3cd7 h LYS 662 CO 0.07 -0.20 0.43 0.78 -2.27 0.00 0.00 179.45 178.26 3cd7 h GLY 663 N -0.43 0.74 1.00 5.01 0.00 -1.33 -2.47 103.07 105.59 3cd7 h GLY 663 Ca -0.04 -0.22 -0.12 0.00 0.00 0.00 0.00 47.33 46.95 3cd7 h GLY 663 CO 0.06 0.14 -0.27 -0.84 0.00 0.00 0.00 176.54 175.63 3cd7 h THR 664 N 0.54 1.29 -0.16 4.70 2.02 -0.50 -2.08 112.91 118.73 3cd7 h THR 664 Ca 0.30 -1.43 -0.16 0.00 0.77 0.00 0.00 66.41 65.88 3cd7 h THR 664 Cb 0.44 1.50 -0.01 0.00 -1.74 0.00 0.00 68.15 68.35 3cd7 h THR 664 CO -0.09 0.47 -0.57 -0.33 0.37 0.00 0.00 175.52 175.36 3cd7 h GLU 665 N 0.51 0.49 -0.17 6.66 5.08 -0.98 -0.59 114.58 125.58 3cd7 h GLU 665 Ca 0.06 -0.31 -0.13 0.00 -1.00 0.00 0.00 59.36 57.97 3cd7 h GLU 665 Cb 0.84 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.12 3cd7 h GLU 665 CO 0.07 0.92 -0.46 -0.22 -1.00 0.00 0.00 179.01 178.32 3cd7 h LYS 666 N 0.37 0.43 -0.27 2.33 1.63 -1.46 -1.41 116.57 118.20 3cd7 h LYS 666 Ca 0.00 -0.24 -0.16 0.00 -0.85 0.00 0.00 60.65 59.41 3cd7 h LYS 666 Cb 1.10 0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.74 3cd7 h LYS 666 CO 0.10 0.81 -0.49 0.00 -3.45 0.00 0.00 179.45 176.42 3cd7 h ALA 667 N 1.16 0.64 -0.28 5.00 0.00 -1.12 -2.23 119.26 122.43 3cd7 h ALA 667 Ca 0.02 -0.49 -0.15 0.00 0.00 0.00 0.00 54.91 54.30 3cd7 h ALA 667 Cb 0.94 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 3cd7 h ALA 667 CO 0.08 0.68 -0.42 -0.07 0.00 0.00 0.00 179.25 179.52 3cd7 h LEU 668 N 0.57 0.73 -0.76 0.00 3.38 -1.00 -0.92 115.31 117.31 3cd7 h LEU 668 Ca 0.03 -0.34 0.01 0.00 0.09 0.00 0.00 57.88 57.67 3cd7 h LEU 668 Cb 1.05 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.55 3cd7 h LEU 668 CO 0.10 1.06 0.50 -1.28 0.09 0.00 0.00 178.44 178.91 3cd7 h SER 669 N 0.56 0.85 -0.50 -0.43 0.87 -1.24 -1.01 113.55 112.65 3cd7 h SER 669 Ca 0.04 -0.02 -0.09 0.00 -1.23 0.00 0.00 61.79 60.50 3cd7 h SER 669 Cb 0.96 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 62.69 3cd7 h SER 669 CO 0.09 0.61 -0.02 0.50 -0.53 0.00 0.00 176.83 177.47 3cd7 h LYS 670 N 1.00 0.94 -0.13 2.24 1.63 -1.14 -2.70 116.57 118.42 3cd7 h LYS 670 Ca 0.29 -0.29 -0.06 0.00 -0.85 0.00 0.00 60.65 59.74 3cd7 h LYS 670 Cb -0.08 -0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 31.45 3cd7 h LYS 670 CO -0.08 0.94 -0.18 1.25 -3.45 0.00 0.00 179.45 177.94 3cd7 h LEU 671 N 0.86 0.20 -1.32 5.20 5.85 -0.74 -2.46 115.31 122.90 3cd7 h LEU 671 Ca 0.16 -0.05 -0.07 0.00 0.84 0.00 0.00 57.88 58.76 3cd7 h LEU 671 Cb 0.54 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.50 3cd7 h LEU 671 CO 0.03 0.40 -0.27 -0.74 -0.34 0.00 0.00 178.44 177.52 3cd7 h HIS 672 N 0.20 0.12 -0.37 1.25 2.76 -0.86 -1.70 115.15 116.56 3cd7 h HIS 672 Ca 0.04 -0.02 -0.05 0.00 -2.20 0.00 0.00 60.37 58.14 3cd7 h HIS 672 Cb 0.43 -0.03 -0.02 0.00 1.55 0.00 0.00 27.41 29.34 3cd7 h HIS 672 CO 0.01 0.38 0.03 0.93 -1.30 0.00 0.00 177.93 177.97 3cd7 h GLU 673 N 0.11 0.56 0.00 5.26 5.08 -1.36 -1.88 114.58 122.35 3cd7 h GLU 673 Ca 0.02 -0.11 -0.14 0.00 -1.00 0.00 0.00 59.36 58.13 3cd7 h GLU 673 Cb 0.53 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 3cd7 h GLU 673 CO 0.04 0.57 -0.66 1.88 -1.00 0.00 0.00 179.01 179.84 3cd7 h TYR 674 N 0.54 0.00 -2.39 4.33 -1.99 -1.48 -3.41 116.97 112.57 3cd7 h TYR 674 Ca 0.12 0.00 -0.59 0.00 2.00 0.00 0.00 58.73 60.26 3cd7 h TYR 674 Cb 0.31 0.00 -0.38 0.00 2.00 0.00 0.00 36.73 38.66 3cd7 h TYR 674 CO 0.01 0.64 -0.96 1.19 -0.00 0.00 0.00 178.16 179.04 3cd7 n PHE 675 N -3.25 -0.66 0.28 4.88 3.01 -0.69 -5.01 117.46 116.03 3cd7 n PHE 675 Ca 0.01 -3.37 0.14 0.00 1.01 0.00 0.00 57.45 55.24 3cd7 n PHE 675 Cb 0.79 0.19 0.84 0.00 -0.01 0.00 0.00 39.48 41.30 3cd7 n PHE 675 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 3cd7 h PRO 676 N 5.55 0.00 0.00 -1.08 0.13 -1.59 -2.39 132.00 132.62 3cd7 h PRO 676 Ca 0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.38 3cd7 h PRO 676 Cb 0.90 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.03 3cd7 h PRO 676 CO 0.40 0.03 0.00 0.39 -0.23 0.00 0.00 178.00 178.59 3cd7 n GLU 677 N -3.86 0.30 -2.06 0.86 1.02 -1.26 -4.82 120.64 110.81 3cd7 n GLU 677 Ca -0.03 0.04 -0.42 0.00 -0.02 0.00 0.00 57.16 56.73 3cd7 n GLU 677 Cb 0.12 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.01 3cd7 n GLU 677 CO 0.00 0.00 0.00 1.41 1.18 0.00 0.00 177.13 179.72 3cd7 s MET 678 N -2.66 4.27 -0.20 3.49 1.75 -0.90 -4.57 119.30 120.47 3cd7 s MET 678 Ca 0.23 2.21 -0.09 0.00 -1.25 0.00 0.00 55.69 56.79 3cd7 s MET 678 Cb 0.18 -3.20 -0.04 0.00 2.84 0.00 0.00 34.83 34.60 3cd7 s MET 678 CO 0.42 -0.52 0.10 -1.14 -0.65 0.00 0.00 175.02 173.23 3cd7 s GLN 679 N 1.11 4.03 -0.62 4.11 0.74 -0.00 -4.97 119.66 124.05 3cd7 s GLN 679 Ca 0.67 -0.31 -0.23 0.00 0.05 0.00 0.00 55.36 55.55 3cd7 s GLN 679 Cb -0.40 -3.33 0.06 0.00 1.10 0.00 0.00 33.01 30.45 3cd7 s GLN 679 CO 0.31 0.22 0.93 0.42 -0.55 0.00 0.00 175.29 176.62 3cd7 s ILE 680 N 0.55 4.39 -0.06 -2.34 1.01 -1.26 -0.92 121.20 122.56 3cd7 s ILE 680 Ca 0.05 -0.25 -0.26 0.00 0.00 0.00 0.00 60.65 60.19 3cd7 s ILE 680 Cb -0.12 -4.62 -0.23 0.00 0.01 0.00 0.00 42.46 37.50 3cd7 s ILE 680 CO 0.01 -1.33 1.06 0.25 0.00 0.00 0.00 174.94 174.92 3cd7 h LEU 681 N 11.13 0.09 -7.03 2.97 5.85 -1.80 -3.47 115.31 123.05 3cd7 h LEU 681 Ca -0.28 -0.72 -0.05 0.00 0.84 0.00 0.00 57.88 57.67 3cd7 h LEU 681 Cb 1.07 -0.03 -0.21 0.00 0.37 0.00 0.00 40.66 41.87 3cd7 h LEU 681 CO 1.15 0.80 0.11 0.00 -0.34 0.00 0.00 178.44 180.16 3cd7 s ALA 682 N -3.35 -1.70 0.19 1.25 0.00 -1.07 -5.03 121.76 112.05 3cd7 s ALA 682 Ca -0.17 1.73 0.21 0.00 0.00 0.00 0.00 51.96 53.73 3cd7 s ALA 682 Cb 0.00 -0.78 0.86 0.00 0.00 0.00 0.00 23.12 23.21 3cd7 s ALA 682 CO 0.70 -0.34 1.81 0.28 0.00 0.00 0.00 175.76 178.22 3cd7 h VAL 683 N 3.74 0.74 -3.48 0.00 2.07 -1.91 -1.75 116.25 115.66 3cd7 h VAL 683 Ca -0.28 -1.24 -0.67 0.00 0.82 0.00 0.00 66.70 65.33 3cd7 h VAL 683 Cb 1.16 1.79 -0.34 0.00 -1.52 0.00 0.00 31.29 32.37 3cd7 h VAL 683 CO 0.17 0.28 -0.79 -0.55 0.02 0.00 0.00 177.57 176.70 3cd7 s SER 684 N -6.33 4.02 -0.39 0.57 0.15 -1.26 -2.37 113.70 108.07 3cd7 s SER 684 Ca -0.00 -0.94 0.06 0.00 0.70 0.00 0.00 55.95 55.77 3cd7 s SER 684 Cb 0.11 -1.58 0.65 0.00 -1.71 0.00 0.00 66.02 63.49 3cd7 s SER 684 CO 0.66 -0.11 1.81 0.61 1.20 0.00 0.00 173.24 177.41 3cd7 n GLY 685 N 4.59 4.42 2.59 9.45 0.00 -0.17 -4.73 105.19 121.35 3cd7 n GLY 685 Ca -0.17 -1.10 -0.10 0.00 0.00 0.00 0.00 46.02 44.65 3cd7 n GLY 685 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3cd7 n ASN 686 N -0.96 -5.10 -0.52 1.61 4.13 -1.25 -4.80 115.26 108.37 3cd7 n ASN 686 Ca 0.51 0.24 0.14 0.00 1.68 0.00 0.00 54.58 57.15 3cd7 n ASN 686 Cb 1.50 -3.44 0.46 0.00 -1.54 0.00 0.00 39.78 36.76 3cd7 n ASN 686 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3cd7 n TYR 687 N -2.41 0.00 0.34 3.10 9.36 -1.20 -4.55 117.16 121.80 3cd7 n TYR 687 Ca -0.10 0.00 -0.17 0.00 3.32 0.00 0.00 57.90 60.95 3cd7 n TYR 687 Cb 0.47 -0.01 -0.09 0.00 -0.63 0.00 0.00 39.34 39.09 3cd7 n TYR 687 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3cd7 s THR 689 N -6.02 4.80 -0.28 0.00 2.01 -1.26 -4.75 115.64 110.14 3cd7 s THR 689 Ca -0.17 -0.04 -0.09 0.00 0.31 0.00 0.00 61.69 61.70 3cd7 s THR 689 Cb 0.04 -3.13 -0.03 0.00 0.01 0.00 0.00 72.50 69.39 3cd7 s THR 689 CO 0.62 0.51 0.13 -0.62 -0.69 0.00 0.00 174.62 174.57 3cd7 s ASP 690 N -0.02 5.52 -1.68 3.53 2.15 -1.26 -4.57 116.67 120.34 3cd7 s ASP 690 Ca 0.06 -0.26 0.00 0.00 0.43 0.00 0.00 52.55 52.78 3cd7 s ASP 690 Cb -0.12 -2.00 0.00 0.00 -0.30 0.00 0.00 42.92 40.49 3cd7 s ASP 690 CO 0.01 -0.09 0.00 0.29 -0.17 0.00 0.00 175.17 175.21 3cd7 n LYS 691 N 4.98 -1.10 -4.24 4.34 5.02 -1.26 -5.00 118.16 120.90 3cd7 n LYS 691 Ca -0.15 1.05 -0.21 0.00 -2.02 0.00 0.00 58.31 56.99 3cd7 n LYS 691 Cb 0.51 -5.23 -0.12 0.00 -0.02 0.00 0.00 35.03 30.17 3cd7 n LYS 691 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3cd7 s LYS 692 N -3.35 1.02 0.13 1.97 3.01 -1.26 -4.92 119.74 116.33 3cd7 s LYS 692 Ca 0.00 -1.12 -0.31 0.00 -1.01 0.00 0.00 55.97 53.53 3cd7 s LYS 692 Cb 0.00 -1.13 -0.09 0.00 -1.01 0.00 0.00 37.83 35.60 3cd7 s LYS 692 CO 0.00 0.25 1.57 -1.25 0.51 0.00 0.00 175.35 176.43 3cd7 s PRO 693 N -2.02 4.22 -0.20 -1.68 0.04 -1.26 -4.73 135.00 129.37 3cd7 s PRO 693 Ca 0.05 2.32 -0.16 0.00 0.04 0.00 0.00 61.00 63.25 3cd7 s PRO 693 Cb -0.09 -3.29 0.06 0.00 0.04 0.00 0.00 34.50 31.21 3cd7 s PRO 693 CO 0.04 -0.63 0.52 0.00 0.04 0.00 0.00 177.00 176.97 3cd7 s ALA 694 N 1.58 -1.33 0.38 8.56 0.00 -1.26 -5.04 121.76 124.64 3cd7 s ALA 694 Ca 0.71 1.65 0.15 0.00 0.00 0.00 0.00 51.96 54.47 3cd7 s ALA 694 Cb -0.42 -0.97 0.86 0.00 0.00 0.00 0.00 23.12 22.59 3cd7 s ALA 694 CO 0.31 -0.27 1.88 0.00 0.00 0.00 0.00 175.76 177.68 3cd7 h ALA 695 N 6.03 1.41 -0.52 0.00 0.00 -1.94 -2.77 119.26 121.47 3cd7 h ALA 695 Ca -0.30 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.33 3cd7 h ALA 695 Cb 1.18 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.90 3cd7 h ALA 695 CO 0.20 0.38 0.34 0.97 0.00 0.00 0.00 179.25 181.14 3cd7 h ILE 696 N 0.00 1.14 -0.44 0.00 2.10 -1.97 -0.62 117.51 117.72 3cd7 h ILE 696 Ca -0.00 -0.26 -0.12 0.00 1.08 0.00 0.00 64.86 65.56 3cd7 h ILE 696 Cb 0.57 0.37 -0.01 0.00 -1.09 0.00 0.00 36.82 36.66 3cd7 h ILE 696 CO 0.04 0.13 -0.21 0.78 -1.08 0.00 0.00 178.15 177.81 3cd7 h ASN 697 N 0.71 0.94 -0.74 2.19 2.35 -1.77 -0.82 115.58 118.44 3cd7 h ASN 697 Ca 0.19 -0.40 -0.02 0.00 -0.55 0.00 0.00 56.30 55.52 3cd7 h ASN 697 Cb -0.07 -0.26 -0.04 0.00 0.05 0.00 0.00 38.32 38.00 3cd7 h ASN 697 CO -0.04 1.14 0.40 -0.25 -1.65 0.00 0.00 177.43 177.03 3cd7 h TRP 698 N 0.75 1.04 0.04 1.19 2.91 -1.32 -0.75 115.95 119.80 3cd7 h TRP 698 Ca 0.10 -0.03 -0.37 0.00 1.13 0.00 0.00 58.89 59.72 3cd7 h TRP 698 Cb 0.78 -0.33 -0.05 0.00 -0.51 0.00 0.00 29.16 29.05 3cd7 h TRP 698 CO 0.06 0.73 -2.24 -0.89 -1.03 0.00 0.00 178.44 175.07 3cd7 n ILE 699 N -4.35 1.58 -0.02 2.65 5.41 -0.33 -4.43 119.36 119.88 3cd7 n ILE 699 Ca 0.08 -0.66 0.07 0.00 1.00 0.00 0.00 62.75 63.23 3cd7 n ILE 699 Cb 0.11 -1.33 -0.15 0.00 -0.71 0.00 0.00 39.64 37.55 3cd7 n ILE 699 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 3cd7 n GLU 700 N -3.23 0.66 0.00 0.38 -0.58 -0.32 -5.09 120.64 112.46 3cd7 n GLU 700 Ca -0.37 -0.12 0.00 0.00 -0.42 0.00 0.00 57.16 56.25 3cd7 n GLU 700 Cb 1.04 -1.55 0.00 0.00 -0.57 0.00 0.00 31.44 30.36 3cd7 n GLU 700 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3cd7 n GLY 701 N 1.35 -0.95 3.64 0.62 0.00 -0.29 -5.03 105.19 104.54 3cd7 n GLY 701 Ca -0.09 -1.63 -0.06 0.00 0.00 0.00 0.00 46.02 44.23 3cd7 n GLY 701 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3cd7 s ARG 702 N -2.45 0.63 7.49 1.61 3.52 -1.18 -4.70 118.95 123.87 3cd7 s ARG 702 Ca 0.00 1.07 0.00 0.00 -0.13 0.00 0.00 55.73 56.67 3cd7 s ARG 702 Cb 0.00 0.13 0.00 0.00 -1.56 0.00 0.00 34.95 33.52 3cd7 s ARG 702 CO 0.00 -0.13 0.00 0.41 -0.81 0.00 0.00 175.30 174.77 3cd7 n GLY 703 N 4.09 2.78 3.75 8.12 0.00 -0.47 -3.22 105.19 120.24 3cd7 n GLY 703 Ca -0.19 -0.24 -0.35 0.00 0.00 0.00 0.00 46.02 45.23 3cd7 n GLY 703 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3cd7 s LYS 704 N 0.00 4.12 -0.20 1.61 3.01 -0.03 -1.16 119.74 127.08 3cd7 s LYS 704 Ca 0.00 -0.18 -0.09 0.00 -1.01 0.00 0.00 55.97 54.69 3cd7 s LYS 704 Cb 0.00 -3.40 -0.04 0.00 -1.01 0.00 0.00 37.83 33.38 3cd7 s LYS 704 CO 0.00 0.34 0.10 -1.12 0.51 0.00 0.00 175.35 175.18 3cd7 s SER 705 N 0.22 5.89 0.01 2.83 0.01 -0.13 -0.99 113.70 121.55 3cd7 s SER 705 Ca 0.10 0.13 0.01 0.00 1.31 0.00 0.00 55.95 57.49 3cd7 s SER 705 Cb -0.11 -2.03 -0.01 0.00 0.21 0.00 0.00 66.02 64.08 3cd7 s SER 705 CO -0.01 0.15 -0.03 -0.69 0.41 0.00 0.00 173.24 173.08 3cd7 s VAL 706 N 0.52 0.18 -0.04 3.43 1.01 -0.05 0.12 120.40 125.58 3cd7 s VAL 706 Ca 0.06 -0.32 0.05 0.00 0.00 0.00 0.00 61.98 61.76 3cd7 s VAL 706 Cb -0.12 -0.20 -0.01 0.00 0.00 0.00 0.00 36.38 36.05 3cd7 s VAL 706 CO 0.00 -0.09 -0.19 0.54 0.00 0.00 0.00 175.10 175.36 3cd7 s VAL 707 N -0.42 1.57 0.08 2.92 0.11 -0.82 -0.52 120.40 123.33 3cd7 s VAL 707 Ca -0.03 -0.81 0.07 0.00 -2.93 0.00 0.00 61.98 58.27 3cd7 s VAL 707 Cb -0.03 -1.34 -0.03 0.00 -1.53 0.00 0.00 36.38 33.45 3cd7 s VAL 707 CO -0.00 0.45 -0.17 0.00 -3.33 0.00 0.00 175.10 172.04 3cd7 s GLU 709 N -1.79 1.06 0.10 0.00 -1.05 -0.25 -1.38 118.70 115.39 3cd7 s GLU 709 Ca 0.02 -1.06 -0.26 0.00 -0.15 0.00 0.00 54.97 53.52 3cd7 s GLU 709 Cb -0.10 0.38 0.08 0.00 -0.44 0.00 0.00 34.13 34.05 3cd7 s GLU 709 CO 0.03 -0.38 0.82 0.00 0.95 0.00 0.00 175.26 176.68 3cd7 s ALA 710 N -3.92 -1.67 -0.12 -0.84 0.00 -0.63 -1.70 121.76 112.88 3cd7 s ALA 710 Ca 0.12 0.54 0.01 0.00 0.00 0.00 0.00 51.96 52.62 3cd7 s ALA 710 Cb 0.04 0.63 0.02 0.00 0.00 0.00 0.00 23.12 23.80 3cd7 s ALA 710 CO -0.04 -0.83 -0.13 0.08 0.00 0.00 0.00 175.76 174.84 3cd7 s VAL 711 N -3.39 1.40 -0.35 0.00 1.01 -1.26 -1.40 120.40 116.40 3cd7 s VAL 711 Ca 0.06 -0.54 -0.11 0.00 0.00 0.00 0.00 61.98 61.39 3cd7 s VAL 711 Cb -0.02 -1.32 0.00 0.00 0.00 0.00 0.00 36.38 35.05 3cd7 s VAL 711 CO -0.06 0.43 0.20 -0.63 0.00 0.00 0.00 175.10 175.05 3cd7 s ILE 712 N 1.36 4.84 0.45 2.22 -1.09 0.09 -4.56 121.20 124.51 3cd7 s ILE 712 Ca 0.01 -0.51 -0.22 0.00 -2.23 0.00 0.00 60.65 57.70 3cd7 s ILE 712 Cb -0.13 -3.56 -0.11 0.00 -1.58 0.00 0.00 42.46 37.08 3cd7 s ILE 712 CO -0.07 -0.07 0.76 -2.65 -1.23 0.00 0.00 174.94 171.68 3cd7 n PRO 713 N 5.04 0.89 -0.34 2.79 -0.02 -1.26 -1.62 135.00 140.47 3cd7 n PRO 713 Ca -0.13 0.32 0.06 0.00 -2.02 0.00 0.00 63.50 61.74 3cd7 n PRO 713 Cb 0.48 -1.79 0.24 0.00 -0.02 0.00 0.00 33.50 32.41 3cd7 n PRO 713 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3cd7 h ALA 714 N 0.99 1.52 -0.53 3.55 0.00 -1.93 -1.43 119.26 121.43 3cd7 h ALA 714 Ca -0.43 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.42 3cd7 h ALA 714 Cb 1.37 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 3cd7 h ALA 714 CO 0.53 0.28 0.10 -0.22 0.00 0.00 0.00 179.25 179.94 3cd7 h LYS 715 N 1.02 0.83 -0.07 0.00 3.64 -1.91 -2.48 116.57 117.60 3cd7 h LYS 715 Ca 0.45 -0.18 -0.12 0.00 -1.27 0.00 0.00 60.65 59.53 3cd7 h LYS 715 Cb 0.37 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 3cd7 h LYS 715 CO -0.21 0.76 -0.50 0.28 -2.27 0.00 0.00 179.45 177.52 3cd7 h VAL 716 N 0.79 1.35 -0.41 2.00 2.07 -1.64 -2.15 116.25 118.26 3cd7 h VAL 716 Ca 0.17 -1.73 -0.11 0.00 0.82 0.00 0.00 66.70 65.84 3cd7 h VAL 716 Cb 0.33 1.85 -0.01 0.00 -1.52 0.00 0.00 31.29 31.94 3cd7 h VAL 716 CO 0.00 0.51 -0.19 0.58 0.02 0.00 0.00 177.57 178.50 3cd7 h VAL 717 N 0.15 1.28 -0.35 2.57 2.07 -0.98 -1.71 116.25 119.27 3cd7 h VAL 717 Ca 0.01 -1.33 -0.14 0.00 0.82 0.00 0.00 66.70 66.06 3cd7 h VAL 717 Cb 0.94 1.25 -0.01 0.00 -1.52 0.00 0.00 31.29 31.95 3cd7 h VAL 717 CO 0.07 0.45 -0.32 0.03 0.02 0.00 0.00 177.57 177.82 3cd7 h ARG 718 N 0.68 0.84 0.00 1.57 3.08 -1.33 -1.15 114.38 118.06 3cd7 h ARG 718 Ca 0.09 -0.43 -0.12 0.00 0.07 0.00 0.00 59.98 59.59 3cd7 h ARG 718 Cb 0.75 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.79 3cd7 h ARG 718 CO 0.06 1.07 -0.88 0.93 -1.07 0.00 0.00 179.97 180.08 3cd7 h GLU 719 N 0.62 0.00 -0.12 0.04 5.08 -1.34 -2.34 114.58 116.53 3cd7 h GLU 719 Ca 0.06 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.33 3cd7 h GLU 719 Cb 0.90 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.16 3cd7 h GLU 719 CO 0.08 0.56 -0.26 0.28 -1.00 0.00 0.00 179.01 178.67 3cd7 h VAL 720 N -1.00 1.38 0.00 3.13 2.07 -1.53 -3.37 116.25 116.93 3cd7 h VAL 720 Ca -0.19 -1.56 0.00 0.00 0.82 0.00 0.00 66.70 65.78 3cd7 h VAL 720 Cb 0.93 2.09 0.00 0.00 -1.52 0.00 0.00 31.29 32.79 3cd7 h VAL 720 CO -0.11 0.46 -0.94 0.18 0.02 0.00 0.00 177.57 177.17 3cd7 n LEU 721 N -4.45 0.80 -2.64 2.57 4.77 -1.08 -5.00 117.00 111.97 3cd7 n LEU 721 Ca -0.07 -0.32 -0.18 0.00 -0.03 0.00 0.00 56.01 55.41 3cd7 n LEU 721 Cb 0.45 -0.06 0.04 0.00 -2.33 0.00 0.00 43.42 41.52 3cd7 n LEU 721 CO 0.41 0.19 0.08 0.29 -1.33 0.00 0.00 177.39 177.03 3cd7 n LYS 722 N -1.59 -4.87 -0.75 3.23 4.76 -0.47 -4.64 118.16 113.84 3cd7 n LYS 722 Ca 0.04 0.70 0.00 0.00 -2.87 0.00 0.00 58.31 56.18 3cd7 n LYS 722 Cb 0.35 -5.19 0.00 0.00 -1.84 0.00 0.00 35.03 28.35 3cd7 n LYS 722 CO 0.00 0.00 0.00 -2.37 -1.37 0.00 0.00 177.40 173.66 3cd7 n THR 723 N -4.35 0.00 -4.37 -0.18 5.66 -1.01 -4.69 114.28 105.34 3cd7 n THR 723 Ca -0.05 0.00 -0.19 0.00 -3.05 0.00 0.00 64.05 60.76 3cd7 n THR 723 Cb 0.58 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.26 3cd7 n THR 723 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3cd7 s THR 724 N -2.49 1.64 0.21 1.09 -4.23 -1.26 -2.92 115.64 107.69 3cd7 s THR 724 Ca 0.00 -2.16 -0.09 0.00 -1.18 0.00 0.00 61.69 58.26 3cd7 s THR 724 Cb 0.00 -2.21 0.15 0.00 1.34 0.00 0.00 72.50 71.78 3cd7 s THR 724 CO 0.00 -0.47 1.80 0.74 -0.54 0.00 0.00 174.62 176.16 3cd7 h THR 725 N 2.45 0.95 -0.49 3.99 2.02 -1.91 -2.21 112.91 117.72 3cd7 h THR 725 Ca -0.39 -0.23 -0.08 0.00 0.77 0.00 0.00 66.41 66.48 3cd7 h THR 725 Cb 1.23 0.21 -0.02 0.00 -1.74 0.00 0.00 68.15 67.83 3cd7 h THR 725 CO 0.64 0.12 -0.02 -0.08 0.37 0.00 0.00 175.52 176.55 3cd7 h GLU 726 N 0.68 0.83 -0.05 6.66 4.81 -1.92 -2.22 114.58 123.37 3cd7 h GLU 726 Ca 0.31 -0.24 -0.14 0.00 -0.13 0.00 0.00 59.36 59.16 3cd7 h GLU 726 Cb 0.21 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 3cd7 h GLU 726 CO -0.20 0.84 -0.62 0.00 -0.73 0.00 0.00 179.01 178.31 3cd7 h ALA 727 N 1.21 0.87 -0.15 2.92 0.00 -1.93 -2.78 119.26 119.40 3cd7 h ALA 727 Ca 0.14 -0.55 -0.04 0.00 0.00 0.00 0.00 54.91 54.46 3cd7 h ALA 727 Cb 0.49 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 3cd7 h ALA 727 CO 0.02 0.74 -0.07 0.52 0.00 0.00 0.00 179.25 180.46 3cd7 h MET 728 N 0.13 0.31 -0.82 0.00 2.86 -1.13 -2.27 114.93 114.01 3cd7 h MET 728 Ca -0.01 -0.14 0.06 0.00 -2.06 0.00 0.00 59.70 57.55 3cd7 h MET 728 Cb 1.12 -0.01 -0.06 0.00 0.06 0.00 0.00 31.60 32.71 3cd7 h MET 728 CO 0.09 0.64 0.50 0.82 1.06 0.00 0.00 176.91 180.02 3cd7 h ILE 729 N -0.02 1.04 -0.28 -1.22 2.04 -1.44 -0.79 117.51 116.83 3cd7 h ILE 729 Ca 0.03 -0.32 -0.03 0.00 1.00 0.00 0.00 64.86 65.55 3cd7 h ILE 729 Cb 0.55 0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.65 3cd7 h ILE 729 CO 0.02 0.17 0.06 -0.08 0.00 0.00 0.00 178.15 178.32 3cd7 h GLU 730 N 0.92 0.45 -0.52 2.37 4.81 -1.43 -1.67 114.58 119.51 3cd7 h GLU 730 Ca 0.36 -0.11 -0.12 0.00 -0.13 0.00 0.00 59.36 59.35 3cd7 h GLU 730 Cb 0.16 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.47 3cd7 h GLU 730 CO -0.17 0.55 -0.15 0.28 -0.73 0.00 0.00 179.01 178.79 3cd7 h VAL 731 N 0.28 1.27 -0.35 0.32 2.07 -1.20 -2.67 116.25 115.97 3cd7 h VAL 731 Ca 0.09 -1.31 -0.08 0.00 0.82 0.00 0.00 66.70 66.22 3cd7 h VAL 731 Cb 0.31 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 3cd7 h VAL 731 CO 0.00 0.46 -0.07 -1.13 0.02 0.00 0.00 177.57 176.85 3cd7 h ASN 732 N 0.89 0.68 -0.33 0.57 -1.24 -1.03 -0.45 115.58 114.67 3cd7 h ASN 732 Ca 0.13 -0.36 -0.01 0.00 0.71 0.00 0.00 56.30 56.78 3cd7 h ASN 732 Cb 0.72 -0.18 -0.02 0.00 0.73 0.00 0.00 38.32 39.57 3cd7 h ASN 732 CO 0.06 0.88 0.17 0.40 -1.29 0.00 0.00 177.43 177.64 3cd7 h ILE 733 N 0.47 1.14 0.00 2.57 2.04 -1.34 -0.44 117.51 121.95 3cd7 h ILE 733 Ca 0.09 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.56 3cd7 h ILE 733 Cb 0.57 0.81 0.00 0.00 -0.74 0.00 0.00 36.82 37.46 3cd7 h ILE 733 CO 0.03 0.15 -0.59 0.59 0.00 0.00 0.00 178.15 178.33 3cd7 n ASN 734 N -4.78 0.66 -0.09 1.72 3.02 -1.01 -1.19 115.26 113.60 3cd7 n ASN 734 Ca -0.01 0.09 -0.10 0.00 -0.03 0.00 0.00 54.58 54.53 3cd7 n ASN 734 Cb 0.09 0.14 -0.03 0.00 -0.61 0.00 0.00 39.78 39.37 3cd7 n ASN 734 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 3cd7 n LYS 735 N -2.02 0.51 0.21 3.52 4.81 -0.19 -1.99 118.16 123.01 3cd7 n LYS 735 Ca 0.04 0.20 0.11 0.00 -0.87 0.00 0.00 58.31 57.79 3cd7 n LYS 735 Cb 0.42 -1.39 0.25 0.00 0.02 0.00 0.00 35.03 34.33 3cd7 n LYS 735 CO 0.00 0.00 0.00 -0.91 1.17 0.00 0.00 177.40 177.66 3cd7 h ASN 736 N -0.96 0.00 0.00 3.14 2.35 -1.22 -2.02 115.58 116.87 3cd7 h ASN 736 Ca -0.03 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 3cd7 h ASN 736 Cb 0.99 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.36 3cd7 h ASN 736 CO -0.02 0.12 -0.64 0.18 -1.65 0.00 0.00 177.43 175.42 3cd7 n LEU 737 N -3.15 1.60 -0.03 1.61 4.77 -1.10 -4.09 117.00 116.60 3cd7 n LEU 737 Ca 0.03 0.26 -0.15 0.00 -0.03 0.00 0.00 56.01 56.11 3cd7 n LEU 737 Cb 0.53 -0.60 -0.09 0.00 -2.33 0.00 0.00 43.42 40.93 3cd7 n LEU 737 CO 0.34 -0.44 0.43 0.58 -1.33 0.00 0.00 177.39 176.98 3cd7 h VAL 738 N -0.64 1.41 -0.09 4.08 2.07 -1.32 -0.58 116.25 121.17 3cd7 h VAL 738 Ca 0.00 -1.72 0.00 0.00 0.82 0.00 0.00 66.70 65.80 3cd7 h VAL 738 Cb 0.64 2.26 -0.01 0.00 -1.52 0.00 0.00 31.29 32.67 3cd7 h VAL 738 CO 0.00 0.50 0.05 1.23 0.02 0.00 0.00 177.57 179.37 3cd7 h GLY 739 N -0.08 0.12 1.67 2.17 0.00 -1.08 -0.27 103.07 105.60 3cd7 h GLY 739 Ca -0.02 -0.04 -0.06 0.00 0.00 0.00 0.00 47.33 47.21 3cd7 h GLY 739 CO 0.07 0.04 -0.09 1.76 0.00 0.00 0.00 176.54 178.33 3cd7 h SER 740 N 0.11 0.39 -0.57 0.19 0.02 -1.38 -1.60 113.55 110.70 3cd7 h SER 740 Ca 0.03 -0.08 -0.08 0.00 -0.84 0.00 0.00 61.79 60.82 3cd7 h SER 740 Cb -0.01 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.41 3cd7 h SER 740 CO -0.01 0.52 0.05 0.00 -1.14 0.00 0.00 176.83 176.25 3cd7 h ALA 741 N 1.53 0.77 -0.06 3.77 0.00 -0.59 -1.79 119.26 122.89 3cd7 h ALA 741 Ca 0.08 -0.28 -0.11 0.00 0.00 0.00 0.00 54.91 54.60 3cd7 h ALA 741 Cb 0.40 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3cd7 h ALA 741 CO 0.02 0.55 -0.47 0.52 0.00 0.00 0.00 179.25 179.88 3cd7 h MET 742 N 0.87 0.15 0.00 0.00 2.86 -0.51 -2.60 114.93 115.71 3cd7 h MET 742 Ca 0.17 -0.08 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 3cd7 h MET 742 Cb 0.48 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.14 3cd7 h MET 742 CO 0.02 0.60 0.00 0.00 1.06 0.00 0.00 176.91 178.58 3cd7 n ALA 743 N -2.46 2.06 -2.49 6.32 0.00 -0.65 -4.92 120.51 118.37 3cd7 n ALA 743 Ca -0.02 -0.09 -0.06 0.00 0.00 0.00 0.00 53.44 53.28 3cd7 n ALA 743 Cb 0.51 -1.35 0.03 0.00 0.00 0.00 0.00 19.45 18.64 3cd7 n ALA 743 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3cd7 n GLY 744 N 0.66 0.22 3.79 0.00 0.00 -0.98 -5.02 105.19 103.86 3cd7 n GLY 744 Ca 0.08 -0.31 -0.38 0.00 0.00 0.00 0.00 46.02 45.41 3cd7 n GLY 744 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3cd7 s SER 745 N -3.39 6.81 -0.36 1.61 0.15 -0.70 -5.04 113.70 112.78 3cd7 s SER 745 Ca 0.02 0.96 -0.05 0.00 0.70 0.00 0.00 55.95 57.58 3cd7 s SER 745 Cb -0.01 -2.28 0.06 0.00 -1.71 0.00 0.00 66.02 62.08 3cd7 s SER 745 CO 0.23 0.21 0.13 -0.63 1.20 0.00 0.00 173.24 174.37 3cd7 s ILE 746 N -0.50 3.59 0.00 6.45 -1.09 -1.26 -4.68 121.20 123.70 3cd7 s ILE 746 Ca 0.25 -1.41 0.00 0.00 -2.23 0.00 0.00 60.65 57.26 3cd7 s ILE 746 Cb -0.17 -3.15 0.00 0.00 -1.58 0.00 0.00 42.46 37.56 3cd7 s ILE 746 CO 0.13 -0.32 0.00 0.61 -1.23 0.00 0.00 174.94 174.13 3cd7 n GLY 747 N 4.75 0.74 2.57 6.18 0.00 -1.26 -4.94 105.19 113.23 3cd7 n GLY 747 Ca -0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.60 3cd7 n GLY 747 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cd7 n GLY 748 N -2.37 5.87 2.62 -0.02 0.00 -1.26 -1.97 105.19 108.06 3cd7 n GLY 748 Ca 0.00 -2.62 -0.36 0.00 0.00 0.00 0.00 46.02 43.03 3cd7 n GLY 748 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3cd7 n TYR 749 N -0.56 2.44 -4.05 1.61 4.02 -0.71 -4.85 117.16 115.06 3cd7 n TYR 749 Ca 0.47 -2.39 -0.11 0.00 -0.01 0.00 0.00 57.90 55.86 3cd7 n TYR 749 Cb 0.55 -1.41 -0.06 0.00 -0.02 0.00 0.00 39.34 38.40 3cd7 n TYR 749 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 3cd7 s ASN 750 N -0.36 0.17 -0.12 7.72 2.20 -1.23 -1.27 114.94 122.05 3cd7 s ASN 750 Ca 0.52 -1.13 -0.06 0.00 -0.94 0.00 0.00 52.86 51.25 3cd7 s ASN 750 Cb 0.30 0.57 -0.04 0.00 -2.00 0.00 0.00 41.25 40.09 3cd7 s ASN 750 CO -0.22 -1.13 -0.00 0.00 -2.94 0.00 0.00 177.10 172.81 3cd7 h ALA 751 N 2.28 0.01 -0.08 3.54 0.00 -1.94 -3.46 119.26 119.61 3cd7 h ALA 751 Ca -0.28 -0.26 -0.19 0.00 0.00 0.00 0.00 54.91 54.18 3cd7 h ALA 751 Cb 1.25 0.21 -0.19 0.00 0.00 0.00 0.00 17.79 19.06 3cd7 h ALA 751 CO 0.39 0.21 -0.41 -2.39 0.00 0.00 0.00 179.25 177.04 3cd7 n HIS 752 N -4.70 -1.63 -0.32 0.00 1.44 -1.26 -4.95 115.22 103.80 3cd7 n HIS 752 Ca -0.04 -1.83 0.18 0.00 -2.01 0.00 0.00 57.72 54.02 3cd7 n HIS 752 Cb 0.15 1.30 0.36 0.00 0.12 0.00 0.00 29.99 31.92 3cd7 n HIS 752 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3cd7 h ALA 753 N 1.40 1.43 -0.49 1.59 0.00 -1.88 -1.17 119.26 120.13 3cd7 h ALA 753 Ca -0.38 0.28 0.03 0.00 0.00 0.00 0.00 54.91 54.84 3cd7 h ALA 753 Cb 1.29 0.44 -0.03 0.00 0.00 0.00 0.00 17.79 19.49 3cd7 h ALA 753 CO -0.11 -0.62 0.32 0.00 0.00 0.00 0.00 179.25 178.85 3cd7 h ALA 754 N 1.92 1.76 -0.09 0.00 0.00 -1.93 -0.98 119.26 119.94 3cd7 h ALA 754 Ca 0.64 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.55 3cd7 h ALA 754 Cb 1.41 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 19.02 3cd7 h ALA 754 CO -0.79 0.18 -0.08 -0.91 0.00 0.00 0.00 179.25 177.66 3cd7 h ASN 755 N 0.56 -0.24 -0.06 0.00 2.35 -1.62 -0.85 115.58 115.72 3cd7 h ASN 755 Ca 0.19 0.05 -0.03 0.00 -0.55 0.00 0.00 56.30 55.96 3cd7 h ASN 755 Cb 0.09 0.12 -0.00 0.00 0.05 0.00 0.00 38.32 38.58 3cd7 h ASN 755 CO -0.05 -0.11 -0.09 0.40 -1.65 0.00 0.00 177.43 175.94 3cd7 h ILE 756 N -0.09 1.39 -0.30 2.81 5.03 -1.41 -2.56 117.51 122.38 3cd7 h ILE 756 Ca 0.06 -1.31 0.07 0.00 -0.12 0.00 0.00 64.86 63.55 3cd7 h ILE 756 Cb 0.18 2.12 -0.07 0.00 -3.03 0.00 0.00 36.82 36.03 3cd7 h ILE 756 CO -0.15 0.36 -0.15 0.58 -0.68 0.00 0.00 178.15 178.12 3cd7 h VAL 757 N -0.29 0.55 -0.77 1.67 2.07 -1.24 -1.44 116.25 116.79 3cd7 h VAL 757 Ca 0.01 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.49 3cd7 h VAL 757 Cb 0.63 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 30.91 3cd7 h VAL 757 CO 0.02 0.00 0.33 0.74 0.02 0.00 0.00 177.57 178.68 3cd7 h THR 758 N -0.10 1.25 -0.21 2.57 2.02 -1.16 -1.02 112.91 116.26 3cd7 h THR 758 Ca 0.16 -0.76 -0.09 0.00 0.77 0.00 0.00 66.41 66.48 3cd7 h THR 758 Cb 0.34 0.32 -0.00 0.00 -1.74 0.00 0.00 68.15 67.07 3cd7 h THR 758 CO -0.37 0.32 -0.22 0.00 0.37 0.00 0.00 175.52 175.61 3cd7 h ALA 759 N 1.17 0.31 -0.68 6.16 0.00 -1.02 -1.74 119.26 123.46 3cd7 h ALA 759 Ca 0.26 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 3cd7 h ALA 759 Cb 0.18 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 3cd7 h ALA 759 CO -0.03 0.26 0.29 0.82 0.00 0.00 0.00 179.25 180.60 3cd7 h ILE 760 N 0.20 1.24 -0.32 0.00 2.04 -1.20 -0.13 117.51 119.35 3cd7 h ILE 760 Ca 0.03 -0.72 -0.01 0.00 1.00 0.00 0.00 64.86 65.16 3cd7 h ILE 760 Cb 0.78 0.44 -0.01 0.00 -0.74 0.00 0.00 36.82 37.28 3cd7 h ILE 760 CO 0.05 0.29 0.16 1.88 0.00 0.00 0.00 178.15 180.53 3cd7 h TYR 761 N 0.96 0.45 -0.74 1.37 -1.99 -1.01 0.03 116.97 116.04 3cd7 h TYR 761 Ca 0.23 -0.02 -0.06 0.00 2.00 0.00 0.00 58.73 60.88 3cd7 h TYR 761 Cb 0.18 -0.14 -0.03 0.00 2.00 0.00 0.00 36.73 38.73 3cd7 h TYR 761 CO 0.01 0.39 0.24 0.82 -0.00 0.00 0.00 178.16 179.63 3cd7 h ILE 762 N 0.38 1.26 -0.03 -2.88 2.04 -1.32 -0.56 117.51 116.39 3cd7 h ILE 762 Ca 0.11 -0.89 -0.13 0.00 1.00 0.00 0.00 64.86 64.95 3cd7 h ILE 762 Cb 0.11 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 36.60 3cd7 h ILE 762 CO -0.01 0.35 -0.56 0.00 0.00 0.00 0.00 178.15 177.93 3cd7 h ALA 763 N 1.16 1.01 -0.48 1.87 0.00 -1.07 -3.29 119.26 118.46 3cd7 h ALA 763 Ca 0.24 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3cd7 h ALA 763 Cb 0.29 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3cd7 h ALA 763 CO -0.01 0.70 0.00 0.00 0.00 0.00 0.00 179.25 179.94 3cd7 n GLY 765 N 0.70 0.57 3.87 0.00 0.00 -0.99 -4.56 105.19 104.79 3cd7 n GLY 765 Ca 0.19 -0.94 -0.30 0.00 0.00 0.00 0.00 46.02 44.98 3cd7 n GLY 765 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3cd7 s GLN 766 N -2.39 2.45 -0.75 1.61 -1.52 -0.25 -2.63 119.66 116.17 3cd7 s GLN 766 Ca 0.00 0.38 -0.26 0.00 -1.95 0.00 0.00 55.36 53.53 3cd7 s GLN 766 Cb 0.00 -1.98 0.01 0.00 -0.22 0.00 0.00 33.01 30.82 3cd7 s GLN 766 CO 0.00 -1.31 1.51 0.34 -0.25 0.00 0.00 175.29 175.58 3cd7 s ASP 767 N -4.34 5.88 0.57 5.90 -1.08 -1.26 -4.68 116.67 117.66 3cd7 s ASP 767 Ca 0.60 -0.37 0.29 0.00 -0.52 0.00 0.00 52.55 52.54 3cd7 s ASP 767 Cb -0.12 -2.55 1.73 0.00 -1.46 0.00 0.00 42.92 40.52 3cd7 s ASP 767 CO 0.51 -2.01 2.22 0.00 0.52 0.00 0.00 175.17 176.41 3cd7 h ALA 768 N 11.47 1.49 0.00 3.66 0.00 -1.94 -1.20 119.26 132.75 3cd7 h ALA 768 Ca -0.19 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 3cd7 h ALA 768 Cb 1.07 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 3cd7 h ALA 768 CO 1.28 0.03 -0.11 0.00 0.00 0.00 0.00 179.25 180.45 3cd7 h ALA 769 N 1.97 1.44 0.00 0.00 0.00 -2.01 -2.24 119.26 118.43 3cd7 h ALA 769 Ca -0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3cd7 h ALA 769 Cb 0.07 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3cd7 h ALA 769 CO 0.00 0.14 0.00 1.04 0.00 0.00 0.00 179.25 180.43 3cd7 n GLN 770 N -3.86 0.65 0.20 0.00 6.02 -0.45 -3.00 117.38 116.94 3cd7 n GLN 770 Ca -0.02 0.00 0.14 0.00 -0.01 0.00 0.00 57.00 57.11 3cd7 n GLN 770 Cb 0.21 -1.32 0.71 0.00 1.02 0.00 0.00 30.24 30.85 3cd7 n GLN 770 CO 0.00 0.00 0.00 -0.97 -1.01 0.00 0.00 177.06 175.08 3cd7 h ASN 771 N 0.00 0.00 0.33 1.08 -1.24 -1.57 -1.97 115.58 112.21 3cd7 h ASN 771 Ca 0.00 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 57.01 3cd7 h ASN 771 Cb 0.00 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.04 3cd7 h ASN 771 CO 0.00 0.00 -0.27 0.58 -1.29 0.00 0.00 177.43 176.45 3cd7 h VAL 772 N 0.00 0.43 0.00 2.57 2.07 -1.80 -3.02 116.25 116.49 3cd7 h VAL 772 Ca 0.00 0.00 -0.15 0.00 0.82 0.00 0.00 66.70 67.37 3cd7 h VAL 772 Cb 0.14 0.43 -0.03 0.00 -1.52 0.00 0.00 31.29 30.32 3cd7 h VAL 772 CO 0.00 0.00 -1.96 0.61 0.02 0.00 0.00 177.57 176.24 3cd7 n GLY 773 N -1.40 -1.07 0.26 2.17 0.00 -1.21 -4.29 105.19 99.66 3cd7 n GLY 773 Ca -0.10 -0.37 0.13 0.00 0.00 0.00 0.00 46.02 45.68 3cd7 n GLY 773 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3cd7 h SER 774 N 0.00 0.00 0.93 1.61 0.02 -1.34 -2.63 113.55 112.15 3cd7 h SER 774 Ca -0.21 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.74 3cd7 h SER 774 Cb 1.51 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.05 3cd7 h SER 774 CO 0.02 0.13 -0.07 -1.20 -1.14 0.00 0.00 176.83 174.57 3cd7 n SER 775 N -3.58 0.08 -4.63 3.07 7.64 -1.14 -4.49 113.62 110.57 3cd7 n SER 775 Ca -0.01 0.39 -0.54 0.00 1.01 0.00 0.00 58.87 59.72 3cd7 n SER 775 Cb 0.26 -0.40 -0.06 0.00 -1.01 0.00 0.00 64.21 63.00 3cd7 n SER 775 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3cd7 n ASN 776 N -1.51 1.82 -3.64 6.43 3.02 -0.99 -4.62 115.26 115.78 3cd7 n ASN 776 Ca 0.07 1.11 -0.09 0.00 -0.03 0.00 0.00 54.58 55.64 3cd7 n ASN 776 Cb 0.34 -1.16 -0.07 0.00 -0.61 0.00 0.00 39.78 38.28 3cd7 n ASN 776 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3cd7 s ILE 778 N 1.01 3.03 -0.26 0.00 2.07 -0.66 -1.74 121.20 124.66 3cd7 s ILE 778 Ca -0.05 -0.62 -0.09 0.00 -1.41 0.00 0.00 60.65 58.48 3cd7 s ILE 778 Cb -0.05 -2.34 -0.04 0.00 0.13 0.00 0.00 42.46 40.17 3cd7 s ILE 778 CO -0.11 0.47 0.11 -0.89 -1.91 0.00 0.00 174.94 172.61 3cd7 s THR 779 N 1.16 4.69 0.02 4.00 2.01 -0.39 -1.38 115.64 125.75 3cd7 s THR 779 Ca 0.02 -0.04 0.06 0.00 0.31 0.00 0.00 61.69 62.04 3cd7 s THR 779 Cb -0.14 -3.21 -0.03 0.00 0.01 0.00 0.00 72.50 69.13 3cd7 s THR 779 CO -0.03 0.31 -0.17 -0.76 -0.69 0.00 0.00 174.62 173.29 3cd7 s LEU 780 N 1.59 2.65 -0.02 4.42 1.43 -0.03 -4.89 118.68 123.84 3cd7 s LEU 780 Ca 0.06 -0.37 0.00 0.00 -1.03 0.00 0.00 54.13 52.80 3cd7 s LEU 780 Cb -0.15 -1.54 0.02 0.00 0.03 0.00 0.00 46.19 44.54 3cd7 s LEU 780 CO 0.06 0.27 0.00 -0.04 0.23 0.00 0.00 176.35 176.88 3cd7 s MET 781 N -1.29 0.16 0.23 1.70 -1.94 -1.26 -1.20 119.30 115.71 3cd7 s MET 781 Ca 0.14 0.06 -0.03 0.00 -1.71 0.00 0.00 55.69 54.15 3cd7 s MET 781 Cb -0.11 -0.31 -0.03 0.00 2.01 0.00 0.00 34.83 36.40 3cd7 s MET 781 CO 0.04 -0.09 0.25 -1.83 -0.01 0.00 0.00 175.02 173.39 3cd7 s GLU 782 N 0.69 1.38 0.49 2.03 -1.05 -0.69 -4.81 118.70 116.74 3cd7 s GLU 782 Ca -0.06 -1.57 -0.21 0.00 -0.15 0.00 0.00 54.97 52.97 3cd7 s GLU 782 Cb -0.09 0.34 -0.07 0.00 -0.44 0.00 0.00 34.13 33.86 3cd7 s GLU 782 CO -0.01 -0.50 1.10 0.00 0.95 0.00 0.00 175.26 176.80 3cd7 s ALA 783 N -4.00 2.85 0.18 -0.84 0.00 -1.26 -0.95 121.76 117.74 3cd7 s ALA 783 Ca 0.34 0.78 -0.06 0.00 0.00 0.00 0.00 51.96 53.02 3cd7 s ALA 783 Cb 0.04 -3.33 -0.02 0.00 0.00 0.00 0.00 23.12 19.81 3cd7 s ALA 783 CO 0.13 -0.56 0.24 0.45 0.00 0.00 0.00 175.76 176.02 3cd7 s SER 784 N -1.71 0.09 0.00 0.00 0.15 0.25 -4.73 113.70 107.76 3cd7 s SER 784 Ca 0.68 -1.06 0.00 0.00 0.70 0.00 0.00 55.95 56.27 3cd7 s SER 784 Cb -0.23 0.42 0.00 0.00 -1.71 0.00 0.00 66.02 64.51 3cd7 s SER 784 CO 0.27 -0.89 0.00 0.61 1.20 0.00 0.00 173.24 174.42 3cd7 n GLY 785 N -0.23 -1.05 0.15 9.45 0.00 -1.26 -2.32 105.19 109.92 3cd7 n GLY 785 Ca -0.04 -1.63 -0.10 0.00 0.00 0.00 0.00 46.02 44.25 3cd7 n GLY 785 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3cd7 h PRO 786 N 0.00 0.44 0.00 1.61 0.11 -2.01 -2.95 132.00 129.19 3cd7 h PRO 786 Ca 0.00 -0.09 0.00 0.00 0.11 0.00 0.00 66.00 66.02 3cd7 h PRO 786 Cb 0.00 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.05 3cd7 h PRO 786 CO 0.00 0.50 0.00 2.41 -0.21 0.00 0.00 178.00 180.70 3cd7 n THR 787 N -4.72 0.75 -1.89 -1.15 -1.04 -1.26 -4.88 114.28 100.09 3cd7 n THR 787 Ca -0.02 0.08 -0.16 0.00 -2.04 0.00 0.00 64.05 61.90 3cd7 n THR 787 Cb 0.16 -0.97 -0.04 0.00 -1.82 0.00 0.00 70.33 67.66 3cd7 n THR 787 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 3cd7 n ASN 788 N -2.19 -4.92 -0.00 8.00 4.05 -1.12 -4.89 115.26 114.19 3cd7 n ASN 788 Ca 0.03 0.20 0.06 0.00 0.45 0.00 0.00 54.58 55.32 3cd7 n ASN 788 Cb 0.29 -3.95 -0.07 0.00 1.23 0.00 0.00 39.78 37.28 3cd7 n ASN 788 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 177.26 175.42 3cd7 n GLU 789 N -2.55 2.66 -2.98 1.20 2.13 -1.12 -4.40 120.64 115.58 3cd7 n GLU 789 Ca -0.18 -0.02 -0.34 0.00 0.66 0.00 0.00 57.16 57.29 3cd7 n GLU 789 Cb 0.59 -1.10 -0.06 0.00 0.27 0.00 0.00 31.44 31.14 3cd7 n GLU 789 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 3cd7 s ASP 790 N -2.31 6.93 -0.39 4.31 1.01 -0.98 -4.12 116.67 121.12 3cd7 s ASP 790 Ca 0.03 1.51 -0.14 0.00 0.71 0.00 0.00 52.55 54.66 3cd7 s ASP 790 Cb 0.09 -2.46 0.01 0.00 1.01 0.00 0.00 42.92 41.57 3cd7 s ASP 790 CO 0.50 -0.22 0.28 -0.22 0.21 0.00 0.00 175.17 175.71 3cd7 s LEU 791 N -2.83 4.91 0.03 1.23 2.96 -0.64 -0.58 118.68 123.75 3cd7 s LEU 791 Ca 0.55 -0.77 -0.26 0.00 -0.22 0.00 0.00 54.13 53.44 3cd7 s LEU 791 Cb -0.11 -2.14 -0.05 0.00 0.50 0.00 0.00 46.19 44.38 3cd7 s LEU 791 CO 0.17 -0.38 0.80 -0.47 -1.32 0.00 0.00 176.35 175.15 3cd7 s TYR 792 N 1.68 3.71 0.00 5.38 5.04 -0.12 -0.73 117.35 132.31 3cd7 s TYR 792 Ca 0.05 1.49 0.03 0.00 -2.44 0.00 0.00 57.07 56.20 3cd7 s TYR 792 Cb -0.19 -2.87 -0.01 0.00 0.35 0.00 0.00 41.96 39.24 3cd7 s TYR 792 CO 0.10 0.20 -0.09 -1.50 -1.34 0.00 0.00 175.55 172.92 3cd7 s ILE 793 N 0.21 0.74 -0.04 3.14 2.07 -0.50 -1.70 121.20 125.13 3cd7 s ILE 793 Ca 0.41 -0.51 -0.05 0.00 -1.41 0.00 0.00 60.65 59.08 3cd7 s ILE 793 Cb -0.20 -0.64 0.01 0.00 0.13 0.00 0.00 42.46 41.75 3cd7 s ILE 793 CO 0.23 0.13 0.13 -0.94 -1.91 0.00 0.00 174.94 172.59 3cd7 s SER 794 N -0.43 -0.09 -0.07 4.50 1.04 -0.34 -1.60 113.70 116.71 3cd7 s SER 794 Ca 0.02 0.13 0.05 0.00 0.48 0.00 0.00 55.95 56.63 3cd7 s SER 794 Cb -0.04 0.26 -0.01 0.00 0.10 0.00 0.00 66.02 66.32 3cd7 s SER 794 CO -0.00 -0.14 -0.22 0.00 0.98 0.00 0.00 173.24 173.86 3cd7 s THR 796 N -0.17 1.98 -0.40 0.00 2.01 -0.48 -1.26 115.64 117.32 3cd7 s THR 796 Ca -0.03 -0.92 0.03 0.00 0.31 0.00 0.00 61.69 61.08 3cd7 s THR 796 Cb -0.14 -1.81 0.11 0.00 0.01 0.00 0.00 72.50 70.68 3cd7 s THR 796 CO 0.04 0.49 0.15 -0.04 -0.69 0.00 0.00 174.62 174.57 3cd7 s MET 797 N 1.32 1.38 0.52 4.92 -1.94 0.33 -1.65 119.30 124.17 3cd7 s MET 797 Ca 0.04 -1.89 0.33 0.00 -1.71 0.00 0.00 55.69 52.46 3cd7 s MET 797 Cb -0.13 -2.77 1.37 0.00 2.01 0.00 0.00 34.83 35.31 3cd7 s MET 797 CO -0.12 -1.04 1.97 -1.35 -0.01 0.00 0.00 175.02 174.47 3cd7 h PRO 798 N 7.28 0.00 -1.13 2.03 0.11 -1.80 -0.09 132.00 138.39 3cd7 h PRO 798 Ca -0.06 0.00 -0.37 0.00 0.11 0.00 0.00 66.00 65.67 3cd7 h PRO 798 Cb 0.97 0.00 -0.38 0.00 0.11 0.00 0.00 31.00 31.70 3cd7 h PRO 798 CO 0.54 0.00 -1.13 -1.13 -0.21 0.00 0.00 178.00 176.07 3cd7 n SER 799 N -2.97 1.01 -4.62 -2.05 3.41 -1.22 -3.10 113.62 104.08 3cd7 n SER 799 Ca 0.01 -2.78 -0.43 0.00 -0.26 0.00 0.00 58.87 55.41 3cd7 n SER 799 Cb 0.28 -0.40 -0.02 0.00 -0.26 0.00 0.00 64.21 63.81 3cd7 n SER 799 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3cd7 s ILE 800 N -2.69 4.07 -0.32 -1.33 1.01 -0.16 -3.29 121.20 118.50 3cd7 s ILE 800 Ca 0.29 1.17 -0.12 0.00 0.00 0.00 0.00 60.65 61.99 3cd7 s ILE 800 Cb 0.43 -4.20 -0.03 0.00 0.01 0.00 0.00 42.46 38.67 3cd7 s ILE 800 CO 0.00 -0.59 0.22 -1.61 0.00 0.00 0.00 174.94 172.96 3cd7 s GLU 801 N 4.42 3.64 0.07 2.79 2.02 -1.26 -0.85 118.70 129.52 3cd7 s GLU 801 Ca 0.57 -0.54 -0.26 0.00 0.02 0.00 0.00 54.97 54.76 3cd7 s GLU 801 Cb -0.15 -3.76 0.09 0.00 0.10 0.00 0.00 34.13 30.41 3cd7 s GLU 801 CO 0.26 -0.36 0.74 -1.50 0.02 0.00 0.00 175.26 174.43 3cd7 s ILE 802 N 1.73 0.00 -0.11 -1.63 2.07 -1.26 -4.90 121.20 117.10 3cd7 s ILE 802 Ca 0.06 0.00 -0.30 0.00 -1.41 0.00 0.00 60.65 59.00 3cd7 s ILE 802 Cb -0.17 -1.00 0.11 0.00 0.13 0.00 0.00 42.46 41.53 3cd7 s ILE 802 CO 0.11 0.00 0.92 -0.83 -1.91 0.00 0.00 174.94 173.23 3cd7 s GLY 803 N -2.51 -0.36 0.00 1.50 0.00 -1.26 -3.76 107.32 100.92 3cd7 s GLY 803 Ca 0.02 1.70 0.11 0.00 0.00 0.00 0.00 44.72 46.56 3cd7 s GLY 803 CO -0.10 0.88 0.89 -1.30 0.00 0.00 0.00 173.10 173.47 3cd7 n THR 804 N 0.56 0.08 -4.48 0.90 -2.24 0.02 -4.85 114.28 104.28 3cd7 n THR 804 Ca -0.11 -0.54 -0.21 0.00 -2.27 0.00 0.00 64.05 60.91 3cd7 n THR 804 Cb 0.59 1.17 -0.14 0.00 -2.10 0.00 0.00 70.33 69.85 3cd7 n THR 804 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3cd7 s VAL 805 N -0.93 1.17 0.00 2.28 1.01 -1.17 -2.41 120.40 120.35 3cd7 s VAL 805 Ca 0.14 -0.89 0.00 0.00 0.00 0.00 0.00 61.98 61.23 3cd7 s VAL 805 Cb 0.09 -1.03 0.00 0.00 0.00 0.00 0.00 36.38 35.44 3cd7 s VAL 805 CO 0.14 0.13 0.00 0.61 0.00 0.00 0.00 175.10 175.98 3cd7 n GLY 806 N 2.17 0.55 7.00 4.51 0.00 -1.26 -4.11 105.19 114.04 3cd7 n GLY 806 Ca -0.17 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 44.06 3cd7 n GLY 806 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cd7 n GLY 807 N 0.69 2.78 0.18 -0.02 0.00 -1.26 -1.94 105.19 105.62 3cd7 n GLY 807 Ca 0.00 -0.20 0.13 0.00 0.00 0.00 0.00 46.02 45.95 3cd7 n GLY 807 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3cd7 h GLY 808 N 0.00 0.00 0.85 -0.02 0.00 -1.88 -2.21 103.07 99.81 3cd7 h GLY 808 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3cd7 h GLY 808 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 176.54 175.24 3cd7 n THR 809 N -2.40 0.00 0.43 4.70 -2.24 -0.82 -2.77 114.28 111.18 3cd7 n THR 809 Ca -0.00 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.90 3cd7 n THR 809 Cb 0.12 -0.47 0.34 0.00 -2.10 0.00 0.00 70.33 68.21 3cd7 n THR 809 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 3cd7 h ASN 810 N 0.00 0.00 -3.51 3.42 2.35 -1.52 -3.43 115.58 112.89 3cd7 h ASN 810 Ca 0.00 0.00 -0.53 0.00 -0.55 0.00 0.00 56.30 55.22 3cd7 h ASN 810 Cb 0.00 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.34 3cd7 h ASN 810 CO 0.00 0.00 0.10 -0.76 -1.65 0.00 0.00 177.43 175.12 3cd7 s LEU 811 N -5.30 4.43 0.18 1.61 1.43 -1.11 -5.01 118.68 114.91 3cd7 s LEU 811 Ca 0.08 1.45 -0.08 0.00 -1.03 0.00 0.00 54.13 54.55 3cd7 s LEU 811 Cb 0.09 -3.42 0.07 0.00 0.03 0.00 0.00 46.19 42.95 3cd7 s LEU 811 CO 0.61 0.11 1.60 -0.07 0.23 0.00 0.00 176.35 178.82 3cd7 h LEU 812 N 3.78 0.99 -0.65 1.79 3.38 -1.89 -2.33 115.31 120.37 3cd7 h LEU 812 Ca -0.48 -0.34 -0.05 0.00 0.09 0.00 0.00 57.88 57.10 3cd7 h LEU 812 Cb 1.20 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.65 3cd7 h LEU 812 CO 0.65 1.12 0.21 -0.65 0.09 0.00 0.00 178.44 179.86 3cd7 h PRO 813 N 0.86 1.01 0.00 1.13 0.11 -1.95 -1.96 132.00 131.20 3cd7 h PRO 813 Ca 0.13 -0.22 -0.11 0.00 0.11 0.00 0.00 66.00 65.91 3cd7 h PRO 813 Cb 0.71 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 31.66 3cd7 h PRO 813 CO 0.05 0.88 -0.52 -0.56 -0.21 0.00 0.00 178.00 177.65 3cd7 h GLN 814 N 0.94 0.00 -0.08 1.05 -0.00 -1.77 -2.32 115.11 112.92 3cd7 h GLN 814 Ca 0.21 0.00 -0.05 0.00 -0.00 0.00 0.00 58.65 58.81 3cd7 h GLN 814 Cb 0.29 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 27.76 3cd7 h GLN 814 CO -0.01 0.52 -0.20 1.96 -0.00 0.00 0.00 178.83 181.10 3cd7 h GLN 815 N 0.00 0.13 -0.78 0.06 4.20 -1.17 -1.65 115.11 115.91 3cd7 h GLN 815 Ca -0.01 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.64 3cd7 h GLN 815 Cb 1.14 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.86 3cd7 h GLN 815 CO 0.07 0.34 0.38 0.00 -0.67 0.00 0.00 178.83 178.94 3cd7 h ALA 816 N 1.67 1.00 -0.36 3.87 0.00 -0.78 0.23 119.26 124.89 3cd7 h ALA 816 Ca 0.02 -0.15 -0.13 0.00 0.00 0.00 0.00 54.91 54.65 3cd7 h ALA 816 Cb 0.44 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3cd7 h ALA 816 CO 0.03 0.56 -0.29 0.00 0.00 0.00 0.00 179.25 179.55 3cd7 h LEU 818 N 0.66 0.10 -0.49 0.00 3.38 -0.94 -2.88 115.31 115.13 3cd7 h LEU 818 Ca 0.08 -0.03 -0.17 0.00 0.09 0.00 0.00 57.88 57.85 3cd7 h LEU 818 Cb 0.82 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 3cd7 h LEU 818 CO 0.07 0.40 -0.72 1.56 0.09 0.00 0.00 178.44 179.84 3cd7 h GLN 819 N 0.10 0.23 -0.71 1.13 4.20 -0.11 -2.08 115.11 117.87 3cd7 h GLN 819 Ca 0.01 -0.19 0.12 0.00 0.06 0.00 0.00 58.65 58.66 3cd7 h GLN 819 Cb 0.56 0.04 -0.09 0.00 0.30 0.00 0.00 27.48 28.30 3cd7 h GLN 819 CO 0.04 0.85 0.28 0.52 -0.67 0.00 0.00 178.83 179.85 3cd7 h MET 820 N 0.15 0.44 -0.00 1.46 2.86 -1.05 -2.41 114.93 116.38 3cd7 h MET 820 Ca -0.02 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 3cd7 h MET 820 Cb 1.28 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.84 3cd7 h MET 820 CO 0.11 0.29 -0.15 1.28 1.06 0.00 0.00 176.91 179.50 3cd7 n LEU 821 N -4.99 0.31 -0.33 1.22 4.77 -1.07 -4.70 117.00 112.21 3cd7 n LEU 821 Ca 0.12 0.16 -0.04 0.00 -0.03 0.00 0.00 56.01 56.23 3cd7 n LEU 821 Cb 0.36 -0.29 -0.01 0.00 -2.33 0.00 0.00 43.42 41.15 3cd7 n LEU 821 CO 0.20 0.06 -0.04 0.61 -1.33 0.00 0.00 177.39 176.89 3cd7 n GLY 822 N 1.39 0.48 0.06 -0.72 0.00 -0.91 -4.93 105.19 100.56 3cd7 n GLY 822 Ca 0.11 -0.84 0.02 0.00 0.00 0.00 0.00 46.02 45.30 3cd7 n GLY 822 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3cd7 n VAL 823 N -3.36 0.72 -2.03 1.61 0.24 -0.82 -5.03 118.33 109.66 3cd7 n VAL 823 Ca -0.04 -0.77 -0.41 0.00 -2.04 0.00 0.00 64.34 61.08 3cd7 n VAL 823 Cb 0.29 0.54 -0.02 0.00 -1.47 0.00 0.00 33.84 33.18 3cd7 n VAL 823 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 3cd7 s GLN 824 N -0.86 4.28 1.37 7.34 -0.44 -1.13 -4.75 119.66 125.47 3cd7 s GLN 824 Ca 0.05 2.29 0.00 0.00 -2.50 0.00 0.00 55.36 55.20 3cd7 s GLN 824 Cb 0.04 -3.10 0.00 0.00 -1.64 0.00 0.00 33.01 28.31 3cd7 s GLN 824 CO 0.00 -0.38 0.00 0.41 0.50 0.00 0.00 175.29 175.83 3cd7 n GLY 825 N 1.88 -1.67 3.78 2.59 0.00 -1.01 -4.84 105.19 105.91 3cd7 n GLY 825 Ca 0.05 -1.27 -0.37 0.00 0.00 0.00 0.00 46.02 44.43 3cd7 n GLY 825 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cd7 s ALA 826 N -1.35 3.14 -0.45 4.61 0.00 -1.26 -4.63 121.76 121.81 3cd7 s ALA 826 Ca 0.00 0.75 -0.21 0.00 0.00 0.00 0.00 51.96 52.50 3cd7 s ALA 826 Cb 0.00 -3.29 0.03 0.00 0.00 0.00 0.00 23.12 19.86 3cd7 s ALA 826 CO 0.00 -0.23 0.67 0.00 0.00 0.00 0.00 175.76 176.21 3cd7 h LYS 828 N 8.91 0.14 0.00 0.00 1.79 -1.99 -2.35 116.57 123.08 3cd7 h LYS 828 Ca -0.25 -0.15 -0.10 0.00 -2.18 0.00 0.00 60.65 57.96 3cd7 h LYS 828 Cb 1.09 0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 31.77 3cd7 h LYS 828 CO 0.91 0.90 -0.49 -0.44 -1.08 0.00 0.00 179.45 179.25 3cd7 h ASP 829 N 0.08 0.00 -1.30 0.86 3.32 -2.05 -3.40 116.42 113.93 3cd7 h ASP 829 Ca -0.03 0.00 -0.23 0.00 0.02 0.00 0.00 57.03 56.79 3cd7 h ASP 829 Cb 1.46 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 40.79 3cd7 h ASP 829 CO 0.12 0.49 -0.59 0.21 -1.72 0.00 0.00 179.24 177.75 3cd7 s ASN 830 N -6.60 -0.80 0.12 6.45 2.47 -1.19 -5.14 114.94 110.25 3cd7 s ASN 830 Ca -0.00 -1.87 -0.36 0.00 0.42 0.00 0.00 52.86 51.05 3cd7 s ASN 830 Cb 0.11 1.41 -0.16 0.00 -1.45 0.00 0.00 41.25 41.17 3cd7 s ASN 830 CO 0.72 -0.10 1.38 -2.65 -3.72 0.00 0.00 177.10 172.73 3cd7 n PRO 831 N 3.15 1.40 0.00 0.43 -0.02 -0.89 -1.71 135.00 137.36 3cd7 n PRO 831 Ca 0.19 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 3cd7 n PRO 831 Cb 0.54 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.86 3cd7 n PRO 831 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3cd7 n GLY 832 N 2.65 0.96 0.13 -1.23 0.00 -1.25 -4.84 105.19 101.61 3cd7 n GLY 832 Ca 0.17 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.17 3cd7 n GLY 832 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3cd7 h GLU 833 N 3.46 0.02 -0.39 1.61 4.57 -1.65 -2.26 114.58 119.94 3cd7 h GLU 833 Ca 0.00 -0.01 -0.14 0.00 -1.18 0.00 0.00 59.36 58.03 3cd7 h GLU 833 Cb 0.00 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.59 3cd7 h GLU 833 CO 0.00 0.69 -0.31 -0.91 -1.18 0.00 0.00 179.01 177.30 3cd7 h ASN 834 N 0.01 0.95 -0.61 1.04 4.21 -1.88 -1.60 115.58 117.70 3cd7 h ASN 834 Ca -0.01 -0.44 -0.10 0.00 1.21 0.00 0.00 56.30 56.96 3cd7 h ASN 834 Cb 1.21 -0.27 -0.02 0.00 -1.12 0.00 0.00 38.32 38.12 3cd7 h ASN 834 CO 0.09 1.19 0.00 0.00 -1.29 0.00 0.00 177.43 177.43 3cd7 h ALA 835 N 0.79 0.82 -0.51 -0.83 0.00 -1.81 -2.17 119.26 115.54 3cd7 h ALA 835 Ca 0.07 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 3cd7 h ALA 835 Cb 0.89 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 3cd7 h ALA 835 CO 0.08 0.67 0.28 0.00 0.00 0.00 0.00 179.25 180.27 3cd7 h ARG 836 N 0.98 0.72 -0.84 0.00 3.08 -1.37 -1.82 114.38 115.13 3cd7 h ARG 836 Ca 0.17 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 60.12 3cd7 h ARG 836 Cb 0.56 -0.14 -0.04 0.00 0.08 0.00 0.00 29.97 30.43 3cd7 h ARG 836 CO 0.03 0.57 0.47 0.37 -1.07 0.00 0.00 179.97 180.34 3cd7 h GLN 837 N 0.69 1.17 -0.47 0.04 5.75 -1.20 -1.53 115.11 119.55 3cd7 h GLN 837 Ca 0.18 -0.13 -0.09 0.00 -0.15 0.00 0.00 58.65 58.46 3cd7 h GLN 837 Cb 0.06 -0.23 -0.02 0.00 1.07 0.00 0.00 27.48 28.36 3cd7 h GLN 837 CO -0.03 0.85 -0.06 1.25 -2.65 0.00 0.00 178.83 178.19 3cd7 h LEU 838 N 1.17 0.80 -0.95 -2.39 5.85 -1.05 -1.67 115.31 117.06 3cd7 h LEU 838 Ca 0.30 -0.22 -0.07 0.00 0.84 0.00 0.00 57.88 58.72 3cd7 h LEU 838 Cb 0.01 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.81 3cd7 h LEU 838 CO -0.05 0.90 -0.02 0.00 -0.34 0.00 0.00 178.44 178.93 3cd7 h ALA 839 N 1.18 1.13 -0.49 1.25 0.00 -0.81 -0.12 119.26 121.41 3cd7 h ALA 839 Ca 0.13 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.70 3cd7 h ALA 839 Cb 0.54 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3cd7 h ALA 839 CO 0.03 0.56 -0.01 0.00 0.00 0.00 0.00 179.25 179.82 3cd7 h ARG 840 N 0.69 0.83 -0.32 0.00 3.08 -0.88 -1.79 114.38 115.97 3cd7 h ARG 840 Ca 0.13 -0.23 -0.11 0.00 0.07 0.00 0.00 59.98 59.84 3cd7 h ARG 840 Cb 0.46 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.41 3cd7 h ARG 840 CO 0.02 0.84 -0.22 0.82 -1.07 0.00 0.00 179.97 180.36 3cd7 h ILE 841 N 0.77 1.29 -0.42 2.04 2.04 -0.76 -0.98 117.51 121.48 3cd7 h ILE 841 Ca 0.15 -1.36 0.01 0.00 1.00 0.00 0.00 64.86 64.65 3cd7 h ILE 841 Cb 0.48 1.46 -0.02 0.00 -0.74 0.00 0.00 36.82 38.00 3cd7 h ILE 841 CO 0.02 0.44 0.28 0.58 0.00 0.00 0.00 178.15 179.47 3cd7 h VAL 842 N 0.49 1.10 -0.46 1.67 2.07 -0.92 -0.32 116.25 119.88 3cd7 h VAL 842 Ca 0.06 -0.19 -0.11 0.00 0.82 0.00 0.00 66.70 67.28 3cd7 h VAL 842 Cb 0.78 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 31.02 3cd7 h VAL 842 CO 0.06 0.10 -0.17 0.00 0.02 0.00 0.00 177.57 177.59 3cd7 h GLY 844 N 0.95 0.72 1.72 0.00 0.00 -0.99 -2.06 103.07 103.40 3cd7 h GLY 844 Ca 0.12 -0.52 -0.12 0.00 0.00 0.00 0.00 47.33 46.81 3cd7 h GLY 844 CO 0.05 0.48 -0.44 -0.84 0.00 0.00 0.00 176.54 175.79 3cd7 h THR 845 N 0.50 1.32 -0.29 4.70 2.02 -0.97 -1.90 112.91 118.28 3cd7 h THR 845 Ca 0.11 -1.60 -0.02 0.00 0.77 0.00 0.00 66.41 65.67 3cd7 h THR 845 Cb 0.45 1.70 -0.01 0.00 -1.74 0.00 0.00 68.15 68.55 3cd7 h THR 845 CO 0.02 0.48 0.11 0.58 0.37 0.00 0.00 175.52 177.08 3cd7 h VAL 846 N 0.26 1.18 -0.92 3.16 2.07 -1.07 -1.81 116.25 119.12 3cd7 h VAL 846 Ca 0.02 -0.55 0.05 0.00 0.82 0.00 0.00 66.70 67.03 3cd7 h VAL 846 Cb 0.88 1.00 -0.06 0.00 -1.52 0.00 0.00 31.29 31.60 3cd7 h VAL 846 CO 0.07 0.19 0.60 -0.03 0.02 0.00 0.00 177.57 178.42 3cd7 h MET 847 N 0.32 1.08 -0.48 1.57 -1.53 -0.99 0.45 114.93 115.35 3cd7 h MET 847 Ca 0.10 -0.06 -0.02 0.00 -3.44 0.00 0.00 59.70 56.27 3cd7 h MET 847 Cb 0.19 -0.24 -0.02 0.00 -0.55 0.00 0.00 31.60 30.97 3cd7 h MET 847 CO -0.01 0.71 0.21 0.00 0.14 0.00 0.00 176.91 177.96 3cd7 h ALA 848 N 1.48 0.62 -0.55 0.39 0.00 -1.08 -1.02 119.26 119.10 3cd7 h ALA 848 Ca 0.38 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 55.09 3cd7 h ALA 848 Cb 0.09 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3cd7 h ALA 848 CO -0.13 0.21 0.10 0.78 0.00 0.00 0.00 179.25 180.22 3cd7 h GLY 849 N 0.63 0.93 0.85 0.00 0.00 -0.46 -2.32 103.07 102.70 3cd7 h GLY 849 Ca 0.16 -0.56 -0.01 0.00 0.00 0.00 0.00 47.33 46.92 3cd7 h GLY 849 CO -0.02 0.52 -0.07 0.83 0.00 0.00 0.00 176.54 177.81 3cd7 h GLU 850 N 0.82 -0.18 -0.54 4.80 4.39 -0.75 -2.10 114.58 121.02 3cd7 h GLU 850 Ca 0.17 0.01 0.11 0.00 0.34 0.00 0.00 59.36 59.99 3cd7 h GLU 850 Cb 0.35 0.04 -0.11 0.00 -0.10 0.00 0.00 28.75 28.93 3cd7 h GLU 850 CO 0.00 0.00 -0.17 1.25 -1.16 0.00 0.00 179.01 178.93 3cd7 h LEU 851 N -0.34 -0.63 -0.03 1.33 6.46 -0.97 -0.88 115.31 120.26 3cd7 h LEU 851 Ca -0.02 0.17 -0.10 0.00 -0.12 0.00 0.00 57.88 57.82 3cd7 h LEU 851 Cb 0.27 0.38 0.01 0.00 -0.73 0.00 0.00 40.66 40.59 3cd7 h LEU 851 CO 0.03 -0.21 -0.37 -1.28 -0.62 0.00 0.00 178.44 175.99 3cd7 h SER 852 N -0.04 0.37 -0.63 1.25 0.87 -1.43 -2.24 113.55 111.69 3cd7 h SER 852 Ca 0.26 -0.72 -0.05 0.00 -1.23 0.00 0.00 61.79 60.05 3cd7 h SER 852 Cb 0.44 -0.11 -0.03 0.00 -0.44 0.00 0.00 62.40 62.26 3cd7 h SER 852 CO -0.58 1.04 0.21 0.25 -0.53 0.00 0.00 176.83 177.22 3cd7 h LEU 853 N -0.27 0.92 -0.80 2.23 5.85 -1.26 -1.89 115.31 120.08 3cd7 h LEU 853 Ca -0.04 -0.20 -0.07 0.00 0.84 0.00 0.00 57.88 58.41 3cd7 h LEU 853 Cb 1.07 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.84 3cd7 h LEU 853 CO 0.07 0.87 0.12 0.24 -0.34 0.00 0.00 178.44 179.41 3cd7 h MET 854 N 0.91 1.02 -0.45 1.25 2.86 -1.22 -0.83 114.93 118.47 3cd7 h MET 854 Ca 0.21 -0.25 -0.00 0.00 -2.06 0.00 0.00 59.70 57.59 3cd7 h MET 854 Cb 0.28 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.78 3cd7 h MET 854 CO -0.01 0.93 0.28 0.00 1.06 0.00 0.00 176.91 179.17 3cd7 h ALA 855 N 1.16 0.57 -0.08 6.32 0.00 -1.18 -1.12 119.26 124.93 3cd7 h ALA 855 Ca 0.20 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 3cd7 h ALA 855 Cb 0.39 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3cd7 h ALA 855 CO 0.01 0.06 -0.34 0.00 0.00 0.00 0.00 179.25 178.97 3cd7 h ALA 856 N 1.13 1.28 -0.08 0.00 0.00 -0.98 -1.56 119.26 119.05 3cd7 h ALA 856 Ca 0.16 -0.35 -0.18 0.00 0.00 0.00 0.00 54.91 54.54 3cd7 h ALA 856 Cb -0.01 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3cd7 h ALA 856 CO -0.03 0.50 -0.71 -0.07 0.00 0.00 0.00 179.25 178.94 3cd7 h LEU 857 N 0.13 0.48 -0.25 0.00 3.38 -0.90 -2.32 115.31 115.83 3cd7 h LEU 857 Ca 0.02 -0.31 -0.14 0.00 0.09 0.00 0.00 57.88 57.54 3cd7 h LEU 857 Cb 0.68 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.28 3cd7 h LEU 857 CO 0.05 1.04 -0.38 0.00 0.09 0.00 0.00 178.44 179.25 3cd7 h ALA 858 N 0.95 0.38 0.00 1.53 0.00 -0.76 -3.11 119.26 118.25 3cd7 h ALA 858 Ca -0.03 -0.44 -0.06 0.00 0.00 0.00 0.00 54.91 54.38 3cd7 h ALA 858 Cb 1.28 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 3cd7 h ALA 858 CO 0.12 0.47 -0.27 0.00 0.00 0.00 0.00 179.25 179.57 3cd7 h ALA 859 N 0.65 0.87 -5.10 0.00 0.00 -1.38 -3.49 119.26 110.81 3cd7 h ALA 859 Ca 0.02 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3cd7 h ALA 859 Cb 0.97 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.71 3cd7 h ALA 859 CO 0.09 0.34 -0.52 0.41 0.00 0.00 0.00 179.25 179.57 3cd7 n GLY 860 N 0.86 -1.60 3.68 0.00 0.00 -0.87 -5.10 105.19 102.16 3cd7 n GLY 860 Ca 0.02 1.09 0.00 0.00 0.00 0.00 0.00 46.02 47.13 3cd7 n GLY 860 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74