#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a8p n VAL 505 N 0.00 0.75 0.03 1.55 0.31 -1.26 -4.33 118.33 115.38 3a8p n VAL 505 Ca 0.00 -0.14 0.03 0.00 -0.01 0.00 0.00 64.34 64.22 3a8p n VAL 505 Cb 0.00 -2.28 -0.08 0.00 -0.91 0.00 0.00 33.84 30.57 3a8p n VAL 505 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 3a8p n ARG 506 N 7.49 0.63 -3.63 5.55 0.63 -0.06 -4.95 116.66 122.31 3a8p n ARG 506 Ca 0.21 0.13 -0.11 0.00 -0.92 0.00 0.00 57.85 57.15 3a8p n ARG 506 Cb 0.40 -1.76 -0.07 0.00 0.45 0.00 0.00 32.46 31.48 3a8p n ARG 506 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 3a8p s LYS 507 N -3.07 0.68 0.06 -0.14 2.47 -1.24 -5.00 119.74 113.50 3a8p s LYS 507 Ca -0.03 0.84 -0.09 0.00 -1.56 0.00 0.00 55.97 55.12 3a8p s LYS 507 Cb 0.09 0.32 0.00 0.00 -1.46 0.00 0.00 37.83 36.78 3a8p s LYS 507 CO 0.82 -0.09 0.19 0.00 0.16 0.00 0.00 175.35 176.44 3a8p s ALA 508 N 0.41 -0.31 0.00 3.13 0.00 -1.26 0.50 121.76 124.24 3a8p s ALA 508 Ca 0.01 -0.41 0.00 0.00 0.00 0.00 0.00 51.96 51.56 3a8p s ALA 508 Cb -0.05 0.36 0.00 0.00 0.00 0.00 0.00 23.12 23.43 3a8p s ALA 508 CO -0.04 -0.42 0.00 0.41 0.00 0.00 0.00 175.76 175.72 3a8p n GLY 509 N 0.41 2.11 3.75 0.00 0.00 -0.10 -4.99 105.19 106.37 3a8p n GLY 509 Ca -0.17 -1.13 -0.40 0.00 0.00 0.00 0.00 46.02 44.31 3a8p n GLY 509 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3a8p s TRP 510 N -2.00 3.81 -0.12 1.61 0.52 -1.26 -0.87 118.94 120.63 3a8p s TRP 510 Ca 0.00 1.82 -0.11 0.00 0.02 0.00 0.00 56.10 57.83 3a8p s TRP 510 Cb 0.00 -3.11 0.03 0.00 -1.15 0.00 0.00 33.47 29.24 3a8p s TRP 510 CO 0.00 0.02 0.32 -0.51 0.02 0.00 0.00 176.95 176.79 3a8p s LEU 511 N -1.27 0.79 0.05 2.99 1.43 -0.43 -4.57 118.68 117.66 3a8p s LEU 511 Ca 0.43 0.63 -0.19 0.00 -1.03 0.00 0.00 54.13 53.97 3a8p s LEU 511 Cb -0.29 1.10 -0.06 0.00 0.03 0.00 0.00 46.19 46.97 3a8p s LEU 511 CO 0.36 -0.12 0.55 -0.36 0.23 0.00 0.00 176.35 177.01 3a8p s PHE 512 N 0.14 3.78 0.08 0.29 0.08 -1.00 -1.07 117.98 120.28 3a8p s PHE 512 Ca -0.00 1.22 0.08 0.00 0.12 0.00 0.00 56.93 58.35 3a8p s PHE 512 Cb -0.02 -2.48 -0.03 0.00 -0.57 0.00 0.00 43.02 39.92 3a8p s PHE 512 CO 0.01 0.57 -0.20 0.12 -0.10 0.00 0.00 175.22 175.61 3a8p s PHE 513 N -0.99 1.72 -0.30 0.36 5.36 0.27 -1.15 117.98 123.25 3a8p s PHE 513 Ca 0.28 -0.40 -0.08 0.00 -0.96 0.00 0.00 56.93 55.77 3a8p s PHE 513 Cb -0.19 -0.97 0.15 0.00 -0.34 0.00 0.00 43.02 41.67 3a8p s PHE 513 CO 0.18 0.16 0.68 0.21 -1.46 0.00 0.00 175.22 174.99 3a8p s LYS 514 N -1.66 0.53 0.47 10.12 2.20 -0.49 -0.80 119.74 130.12 3a8p s LYS 514 Ca 0.06 1.20 -0.23 0.00 -0.36 0.00 0.00 55.97 56.63 3a8p s LYS 514 Cb -0.10 0.70 -0.07 0.00 -1.51 0.00 0.00 37.83 36.86 3a8p s LYS 514 CO 0.03 -0.33 1.23 -1.25 -0.36 0.00 0.00 175.35 174.68 3a8p s PRO 515 N 2.85 3.66 0.06 4.03 0.04 -1.26 -0.60 135.00 143.77 3a8p s PRO 515 Ca 0.03 1.95 0.00 0.00 0.04 0.00 0.00 61.00 63.02 3a8p s PRO 515 Cb -0.12 -2.44 0.00 0.00 0.04 0.00 0.00 34.50 31.97 3a8p s PRO 515 CO -0.19 -0.68 0.00 -0.11 0.04 0.00 0.00 177.00 176.06 3a8p n LEU 516 N -0.48 0.51 -4.19 -3.56 7.94 0.02 -4.74 117.00 112.49 3a8p n LEU 516 Ca 0.07 0.09 -0.24 0.00 -1.11 0.00 0.00 56.01 54.82 3a8p n LEU 516 Cb 0.46 -0.14 -0.14 0.00 0.53 0.00 0.00 43.42 44.13 3a8p n LEU 516 CO 0.50 -0.41 -0.50 -0.69 -1.11 0.00 0.00 177.39 175.18 3a8p s VAL 517 N -2.00 1.42 0.08 1.96 1.01 -0.79 -0.63 120.40 121.45 3a8p s VAL 517 Ca 0.00 -0.97 -0.05 0.00 0.00 0.00 0.00 61.98 60.96 3a8p s VAL 517 Cb 0.00 -1.22 -0.02 0.00 0.00 0.00 0.00 36.38 35.14 3a8p s VAL 517 CO 0.00 0.23 0.10 0.28 0.00 0.00 0.00 175.10 175.71 3a8p s THR 518 N -0.65 0.17 0.05 3.92 -1.32 -0.71 -0.43 115.64 116.67 3a8p s THR 518 Ca 0.06 -1.48 -0.27 0.00 -1.21 0.00 0.00 61.69 58.79 3a8p s THR 518 Cb -0.08 -1.48 -0.05 0.00 -1.51 0.00 0.00 72.50 69.38 3a8p s THR 518 CO 0.01 -0.76 0.83 -0.76 -2.21 0.00 0.00 174.62 171.73 3a8p s LEU 519 N -2.90 4.44 0.00 9.08 1.43 -1.26 -1.90 118.68 127.58 3a8p s LEU 519 Ca 0.08 1.54 0.00 0.00 -1.03 0.00 0.00 54.13 54.72 3a8p s LEU 519 Cb 0.06 -3.35 0.00 0.00 0.03 0.00 0.00 46.19 42.93 3a8p s LEU 519 CO -0.09 -0.04 0.00 1.67 0.23 0.00 0.00 176.35 178.11 3a8p n GLN 520 N 2.98 3.34 -1.61 1.70 -0.06 0.46 -4.89 117.38 119.30 3a8p n GLN 520 Ca -0.00 0.00 -0.43 0.00 -2.00 0.00 0.00 57.00 54.57 3a8p n GLN 520 Cb 0.50 0.00 -0.03 0.00 -4.06 0.00 0.00 30.24 26.65 3a8p n GLN 520 CO 0.00 0.00 0.00 1.17 -0.20 0.00 0.00 177.06 178.03 3a8p n LYS 521 N 0.00 2.12 -2.68 3.69 3.00 -1.26 -3.67 118.16 119.36 3a8p n LYS 521 Ca 0.00 0.62 -0.00 0.00 -0.00 0.00 0.00 58.31 58.93 3a8p n LYS 521 Cb 0.00 -3.21 0.00 0.00 0.00 0.00 0.00 35.03 31.82 3a8p n LYS 521 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 3a8p n GLU 522 N 8.56 -1.07 -3.87 1.64 4.07 -1.26 -4.11 120.64 124.61 3a8p n GLU 522 Ca 0.28 1.30 -0.25 0.00 -0.06 0.00 0.00 57.16 58.43 3a8p n GLU 522 Cb 0.44 -4.75 -0.00 0.00 -0.06 0.00 0.00 31.44 27.07 3a8p n GLU 522 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 3a8p n ARG 523 N -1.49 -3.43 -4.03 5.31 1.74 -1.24 -4.97 116.66 108.55 3a8p n ARG 523 Ca 0.01 0.46 -0.33 0.00 -0.77 0.00 0.00 57.85 57.22 3a8p n ARG 523 Cb 0.49 -4.62 -0.15 0.00 -1.02 0.00 0.00 32.46 27.16 3a8p n ARG 523 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 3a8p s LYS 524 N -6.37 2.24 0.28 5.56 2.47 -1.25 -4.92 119.74 117.75 3a8p s LYS 524 Ca 0.05 -1.36 -0.29 0.00 -1.56 0.00 0.00 55.97 52.80 3a8p s LYS 524 Cb -0.02 -2.97 -0.10 0.00 -1.46 0.00 0.00 37.83 33.29 3a8p s LYS 524 CO 0.87 -0.60 1.09 -0.51 0.16 0.00 0.00 175.35 176.35 3a8p s LEU 525 N 1.12 4.56 -0.04 5.43 1.43 -1.26 0.17 118.68 130.10 3a8p s LEU 525 Ca -0.07 2.25 -0.23 0.00 -1.03 0.00 0.00 54.13 55.04 3a8p s LEU 525 Cb -0.20 -3.63 0.05 0.00 0.03 0.00 0.00 46.19 42.44 3a8p s LEU 525 CO -0.04 -0.12 0.51 -1.83 0.23 0.00 0.00 176.35 175.10 3a8p s GLU 526 N -1.42 0.87 0.27 1.70 -1.05 -0.80 -4.89 118.70 113.38 3a8p s GLU 526 Ca 0.44 0.06 -0.29 0.00 -0.15 0.00 0.00 54.97 55.03 3a8p s GLU 526 Cb -0.32 0.40 -0.09 0.00 -0.44 0.00 0.00 34.13 33.68 3a8p s GLU 526 CO 0.40 -0.26 1.19 -0.51 0.95 0.00 0.00 175.26 177.03 3a8p s LEU 527 N -1.23 4.49 0.36 1.83 1.43 -1.26 -1.74 118.68 122.56 3a8p s LEU 527 Ca -0.12 2.38 -0.28 0.00 -1.03 0.00 0.00 54.13 55.07 3a8p s LEU 527 Cb -0.02 -3.63 -0.11 0.00 0.03 0.00 0.00 46.19 42.46 3a8p s LEU 527 CO 0.07 -0.32 1.50 0.52 0.23 0.00 0.00 176.35 178.36 3a8p n VAL 528 N 1.48 1.82 0.00 -1.59 0.31 0.20 -4.91 118.33 115.64 3a8p n VAL 528 Ca 0.01 -0.45 0.00 0.00 -0.01 0.00 0.00 64.34 63.88 3a8p n VAL 528 Cb 0.44 -1.96 0.00 0.00 -0.91 0.00 0.00 33.84 31.41 3a8p n VAL 528 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3a8p n ALA 529 N 0.74 0.00 -1.68 3.52 0.00 -1.26 -4.58 120.51 117.25 3a8p n ALA 529 Ca 0.03 0.00 -0.48 0.00 0.00 0.00 0.00 53.44 52.98 3a8p n ALA 529 Cb 0.38 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.79 3a8p n ALA 529 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3a8p n ARG 530 N 0.00 2.17 -3.62 0.00 0.00 -1.26 -4.92 116.66 109.03 3a8p n ARG 530 Ca 0.00 0.79 -0.22 0.00 -0.00 0.00 0.00 57.85 58.43 3a8p n ARG 530 Cb 0.00 -2.63 -0.16 0.00 0.00 0.00 0.00 32.46 29.66 3a8p n ARG 530 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.63 178.13 3a8p s ARG 531 N 3.86 0.04 0.04 -0.14 3.52 -1.26 -4.99 118.95 120.01 3a8p s ARG 531 Ca 0.92 0.20 -0.13 0.00 -0.13 0.00 0.00 55.73 56.59 3a8p s ARG 531 Cb -0.69 -1.11 0.02 0.00 -1.56 0.00 0.00 34.95 31.60 3a8p s ARG 531 CO 0.51 -0.51 0.29 0.21 -0.81 0.00 0.00 175.30 174.98 3a8p s LYS 532 N 2.20 0.78 0.03 5.12 2.20 -1.26 -5.10 119.74 123.71 3a8p s LYS 532 Ca 0.04 -0.50 -0.30 0.00 -0.36 0.00 0.00 55.97 54.85 3a8p s LYS 532 Cb -0.14 0.33 -0.05 0.00 -1.51 0.00 0.00 37.83 36.47 3a8p s LYS 532 CO -0.07 -0.24 1.11 -1.58 -0.36 0.00 0.00 175.35 174.20 3a8p s TRP 533 N -2.43 3.52 -0.02 4.03 0.52 -1.26 -4.60 118.94 118.70 3a8p s TRP 533 Ca -0.06 1.46 0.05 0.00 0.02 0.00 0.00 56.10 57.57 3a8p s TRP 533 Cb -0.01 -3.30 -0.01 0.00 -1.15 0.00 0.00 33.47 29.00 3a8p s TRP 533 CO -0.03 -0.76 -0.16 0.21 0.02 0.00 0.00 176.95 176.23 3a8p s LYS 534 N 1.06 1.39 0.10 4.98 2.20 0.02 -4.89 119.74 124.61 3a8p s LYS 534 Ca 0.56 -0.57 -0.16 0.00 -0.36 0.00 0.00 55.97 55.44 3a8p s LYS 534 Cb -0.26 -1.31 -0.07 0.00 -1.51 0.00 0.00 37.83 34.68 3a8p s LYS 534 CO 0.29 0.31 0.54 -1.14 -0.36 0.00 0.00 175.35 174.98 3a8p s GLN 535 N -0.26 4.05 0.03 4.03 0.74 -1.26 0.95 119.66 127.94 3a8p s GLN 535 Ca 0.04 0.57 -0.09 0.00 0.05 0.00 0.00 55.36 55.92 3a8p s GLN 535 Cb -0.08 -3.09 0.00 0.00 1.10 0.00 0.00 33.01 30.95 3a8p s GLN 535 CO 0.00 0.57 0.19 0.71 -0.55 0.00 0.00 175.29 176.21 3a8p s TYR 536 N -1.28 0.03 -0.38 1.67 2.02 -0.23 -4.94 117.35 114.25 3a8p s TYR 536 Ca 0.32 -0.21 -0.19 0.00 -0.37 0.00 0.00 57.07 56.63 3a8p s TYR 536 Cb -0.17 -0.02 0.01 0.00 -0.40 0.00 0.00 41.96 41.37 3a8p s TYR 536 CO 0.18 -0.40 0.57 -0.46 -1.57 0.00 0.00 175.55 173.87 3a8p s TRP 537 N -2.26 3.14 -0.06 2.71 -0.11 0.11 -1.32 118.94 121.16 3a8p s TRP 537 Ca -0.07 0.13 0.00 0.00 1.22 0.00 0.00 56.10 57.38 3a8p s TRP 537 Cb -0.03 -3.08 -0.03 0.00 -1.50 0.00 0.00 33.47 28.83 3a8p s TRP 537 CO -0.02 -0.65 -0.03 0.08 -4.62 0.00 0.00 176.95 171.71 3a8p s VAL 538 N 2.56 4.03 0.06 5.86 1.01 -0.05 -0.30 120.40 133.58 3a8p s VAL 538 Ca 0.21 -0.43 0.06 0.00 0.00 0.00 0.00 61.98 61.82 3a8p s VAL 538 Cb -0.15 -2.70 -0.03 0.00 0.00 0.00 0.00 36.38 33.50 3a8p s VAL 538 CO 0.15 0.54 -0.17 0.42 0.00 0.00 0.00 175.10 176.04 3a8p s THR 539 N -0.91 1.39 -0.33 3.92 -4.23 -0.62 -0.92 115.64 113.93 3a8p s THR 539 Ca 0.14 -1.21 -0.05 0.00 -1.18 0.00 0.00 61.69 59.40 3a8p s THR 539 Cb -0.11 -1.25 0.05 0.00 1.34 0.00 0.00 72.50 72.53 3a8p s THR 539 CO 0.04 0.01 0.08 -0.22 -0.54 0.00 0.00 174.62 173.99 3a8p s LEU 540 N -1.39 4.25 -0.21 4.79 2.96 0.18 -0.76 118.68 128.50 3a8p s LEU 540 Ca 0.04 -1.24 -0.01 0.00 -0.22 0.00 0.00 54.13 52.69 3a8p s LEU 540 Cb -0.09 -1.82 0.01 0.00 0.50 0.00 0.00 46.19 44.80 3a8p s LEU 540 CO 0.02 -0.32 -0.12 -0.75 -1.32 0.00 0.00 176.35 173.86 3a8p s LYS 541 N 1.34 3.04 7.81 1.98 2.20 -0.52 -0.88 119.74 134.71 3a8p s LYS 541 Ca -0.02 -0.82 0.00 0.00 -0.36 0.00 0.00 55.97 54.77 3a8p s LYS 541 Cb -0.20 -2.79 0.00 0.00 -1.51 0.00 0.00 37.83 33.33 3a8p s LYS 541 CO 0.01 -0.26 0.00 0.41 -0.36 0.00 0.00 175.35 175.15 3a8p n GLY 542 N 4.67 3.36 1.15 5.54 0.00 -1.26 -1.13 105.19 117.53 3a8p n GLY 542 Ca -0.19 -0.14 0.04 0.00 0.00 0.00 0.00 46.02 45.73 3a8p n GLY 542 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a8p s THR 544 N -2.95 3.11 -0.29 0.00 2.01 -0.28 -1.17 115.64 116.07 3a8p s THR 544 Ca 0.45 -0.67 -0.13 0.00 0.31 0.00 0.00 61.69 61.65 3a8p s THR 544 Cb 0.37 -2.27 -0.04 0.00 0.01 0.00 0.00 72.50 70.58 3a8p s THR 544 CO 0.08 0.56 0.27 -0.76 -0.69 0.00 0.00 174.62 174.08 3a8p s LEU 545 N -0.22 4.16 -0.23 4.42 1.43 0.28 -1.44 118.68 127.08 3a8p s LEU 545 Ca 0.01 -0.03 -0.09 0.00 -1.03 0.00 0.00 54.13 53.00 3a8p s LEU 545 Cb -0.13 -2.23 -0.04 0.00 0.03 0.00 0.00 46.19 43.82 3a8p s LEU 545 CO 0.03 -0.15 0.11 -0.76 0.23 0.00 0.00 176.35 175.80 3a8p s LEU 546 N 1.87 3.79 -0.29 1.79 1.43 0.06 -0.86 118.68 126.47 3a8p s LEU 546 Ca 0.10 -0.02 -0.13 0.00 -1.03 0.00 0.00 54.13 53.05 3a8p s LEU 546 Cb -0.16 -2.01 -0.04 0.00 0.03 0.00 0.00 46.19 44.01 3a8p s LEU 546 CO 0.11 0.05 0.27 -0.36 0.23 0.00 0.00 176.35 176.64 3a8p s PHE 547 N 1.15 3.23 -0.01 0.29 2.99 -0.55 -1.59 117.98 123.49 3a8p s PHE 547 Ca 0.06 0.14 0.03 0.00 0.00 0.00 0.00 56.93 57.15 3a8p s PHE 547 Cb -0.14 -2.48 -0.03 0.00 0.00 0.00 0.00 43.02 40.36 3a8p s PHE 547 CO 0.04 -0.24 -0.06 0.71 -0.00 0.00 0.00 175.22 175.68 3a8p s TYR 548 N 1.88 2.93 0.31 0.36 2.02 0.59 0.21 117.35 125.64 3a8p s TYR 548 Ca 0.10 -0.01 0.07 0.00 -0.37 0.00 0.00 57.07 56.86 3a8p s TYR 548 Cb -0.16 -1.63 0.51 0.00 -0.40 0.00 0.00 41.96 40.27 3a8p s TYR 548 CO 0.11 0.38 1.74 1.49 -1.57 0.00 0.00 175.55 177.70 3a8p h GLU 549 N 4.60 0.23 -4.49 -0.62 4.57 -1.89 0.35 114.58 117.32 3a8p h GLU 549 Ca -0.49 -0.10 -0.19 0.00 -1.18 0.00 0.00 59.36 57.41 3a8p h GLU 549 Cb 1.17 -0.01 -0.15 0.00 -0.16 0.00 0.00 28.75 29.60 3a8p h GLU 549 CO 0.54 0.57 -0.68 0.95 -1.18 0.00 0.00 179.01 179.21 3a8p s THR 550 N -4.23 0.47 0.00 0.32 -4.23 -1.26 -4.71 115.64 102.00 3a8p s THR 550 Ca -0.05 -1.89 0.00 0.00 -1.18 0.00 0.00 61.69 58.57 3a8p s THR 550 Cb 0.14 -1.69 0.00 0.00 1.34 0.00 0.00 72.50 72.29 3a8p s THR 550 CO 0.76 -0.85 0.27 0.00 -0.54 0.00 0.00 174.62 174.26 3a8p n TYR 551 N -0.01 0.00 0.00 3.99 9.36 -1.26 -4.75 117.16 124.49 3a8p n TYR 551 Ca -0.12 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.10 3a8p n TYR 551 Cb 0.61 -0.30 0.00 0.00 -0.63 0.00 0.00 39.34 39.02 3a8p n TYR 551 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3a8p n ALA 561 N 2.38 0.00 -1.58 2.98 0.00 -1.26 -5.15 120.51 117.88 3a8p n ALA 561 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 3a8p n ALA 561 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 3a8p n ALA 561 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3a8p n PRO 562 N 0.00 1.24 0.12 0.00 -0.02 -1.26 -4.87 135.00 130.20 3a8p n PRO 562 Ca 0.00 0.44 -0.01 0.00 -2.02 0.00 0.00 63.50 61.91 3a8p n PRO 562 Cb 0.00 -1.93 0.06 0.00 -0.02 0.00 0.00 33.50 31.61 3a8p n PRO 562 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 3a8p h ARG 563 N 1.53 0.00 -1.65 -0.52 9.65 -0.61 -3.48 114.38 119.30 3a8p h ARG 563 Ca -0.43 0.00 0.24 0.00 -1.10 0.00 0.00 59.98 58.69 3a8p h ARG 563 Cb 1.35 0.00 -0.16 0.00 -1.39 0.00 0.00 29.97 29.76 3a8p h ARG 563 CO 0.57 0.69 0.75 0.00 2.80 0.00 0.00 179.97 184.77 3a8p s ALA 565 N -2.58 1.64 -0.17 0.00 0.00 -1.26 -1.48 121.76 117.91 3a8p s ALA 565 Ca 0.10 -1.36 -0.01 0.00 0.00 0.00 0.00 51.96 50.69 3a8p s ALA 565 Cb 0.00 -0.10 0.05 0.00 0.00 0.00 0.00 23.12 23.07 3a8p s ALA 565 CO -0.05 0.13 -0.02 -1.17 0.00 0.00 0.00 175.76 174.65 3a8p s LEU 566 N -2.55 1.42 -0.45 0.00 0.20 -0.04 -4.98 118.68 112.28 3a8p s LEU 566 Ca 0.11 -0.67 -0.26 0.00 0.69 0.00 0.00 54.13 54.01 3a8p s LEU 566 Cb -0.05 -0.78 0.03 0.00 -0.43 0.00 0.00 46.19 44.96 3a8p s LEU 566 CO 0.04 -0.22 0.94 -0.36 -0.29 0.00 0.00 176.35 176.45 3a8p s PHE 567 N 1.73 2.93 -2.06 5.38 0.08 -1.26 -0.56 117.98 124.22 3a8p s PHE 567 Ca 0.00 0.43 0.12 0.00 0.12 0.00 0.00 56.93 57.60 3a8p s PHE 567 Cb -0.16 -3.97 0.41 0.00 -0.57 0.00 0.00 43.02 38.73 3a8p s PHE 567 CO -0.07 -1.09 1.31 0.00 -0.10 0.00 0.00 175.22 175.27 3a8p n ALA 568 N 7.17 2.48 -1.54 5.36 0.00 -0.32 -4.88 120.51 128.79 3a8p n ALA 568 Ca 0.06 -0.44 -0.53 0.00 0.00 0.00 0.00 53.44 52.53 3a8p n ALA 568 Cb 0.48 -1.03 -0.06 0.00 0.00 0.00 0.00 19.45 18.85 3a8p n ALA 568 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3a8p n GLU 569 N 0.19 0.65 -3.86 0.00 2.13 -1.25 -1.56 120.64 116.93 3a8p n GLU 569 Ca 0.11 0.23 -0.30 0.00 0.66 0.00 0.00 57.16 57.86 3a8p n GLU 569 Cb 0.23 -1.73 0.01 0.00 0.27 0.00 0.00 31.44 30.22 3a8p n GLU 569 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 3a8p n ASP 570 N 1.99 -4.44 -4.88 4.31 8.00 -1.26 -4.04 116.55 116.22 3a8p n ASP 570 Ca 0.18 -0.75 -0.21 0.00 0.71 0.00 0.00 54.79 54.72 3a8p n ASP 570 Cb 0.17 -3.58 0.06 0.00 -0.02 0.00 0.00 41.12 37.76 3a8p n ASP 570 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3a8p s SER 571 N -3.18 4.95 -0.03 -2.24 0.01 -0.60 -4.10 113.70 108.50 3a8p s SER 571 Ca 0.63 -0.29 0.03 0.00 1.31 0.00 0.00 55.95 57.63 3a8p s SER 571 Cb -0.33 -0.38 0.00 0.00 0.21 0.00 0.00 66.02 65.52 3a8p s SER 571 CO 0.78 -1.40 -0.11 -0.63 0.41 0.00 0.00 173.24 172.29 3a8p s ILE 572 N -2.85 0.96 -0.10 1.44 1.01 -0.50 -4.99 121.20 116.17 3a8p s ILE 572 Ca 0.61 -0.46 0.03 0.00 0.00 0.00 0.00 60.65 60.83 3a8p s ILE 572 Cb -0.08 -0.84 -0.00 0.00 0.01 0.00 0.00 42.46 41.55 3a8p s ILE 572 CO 0.40 0.29 -0.22 -0.69 0.00 0.00 0.00 174.94 174.72 3a8p s VAL 573 N 0.14 2.26 0.01 2.92 1.01 -1.26 -1.46 120.40 124.02 3a8p s VAL 573 Ca -0.03 -0.95 0.05 0.00 0.00 0.00 0.00 61.98 61.04 3a8p s VAL 573 Cb -0.09 -1.88 -0.02 0.00 0.00 0.00 0.00 36.38 34.40 3a8p s VAL 573 CO 0.01 0.55 -0.14 -1.10 0.00 0.00 0.00 175.10 174.42 3a8p s GLN 574 N 0.32 1.05 0.50 2.72 -1.52 0.86 -4.94 119.66 118.66 3a8p s GLN 574 Ca -0.17 -0.61 -0.17 0.00 -1.95 0.00 0.00 55.36 52.47 3a8p s GLN 574 Cb -0.17 -1.04 -0.08 0.00 -0.22 0.00 0.00 33.01 31.49 3a8p s GLN 574 CO 0.08 0.27 0.98 -1.54 -0.25 0.00 0.00 175.29 174.83 3a8p s SER 575 N -0.66 6.66 -0.55 5.90 1.04 -1.26 0.20 113.70 125.03 3a8p s SER 575 Ca 0.04 1.58 0.07 0.00 0.48 0.00 0.00 55.95 58.11 3a8p s SER 575 Cb -0.06 -2.51 0.25 0.00 0.10 0.00 0.00 66.02 63.80 3a8p s SER 575 CO 0.00 -0.56 0.67 0.52 0.98 0.00 0.00 173.24 174.85 3a8p n VAL 576 N -1.46 1.26 0.30 5.02 0.31 0.67 -4.78 118.33 119.64 3a8p n VAL 576 Ca 0.07 -4.79 0.12 0.00 -0.01 0.00 0.00 64.34 59.72 3a8p n VAL 576 Cb 0.54 -2.05 0.53 0.00 -0.91 0.00 0.00 33.84 31.95 3a8p n VAL 576 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 3a8p n PRO 577 N 1.05 0.17 -0.02 5.55 -0.04 -1.26 -2.26 135.00 138.19 3a8p n PRO 577 Ca 0.27 0.51 0.13 0.00 -0.04 0.00 0.00 63.50 64.37 3a8p n PRO 577 Cb 0.45 -1.91 0.53 0.00 -0.04 0.00 0.00 33.50 32.53 3a8p n PRO 577 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 3a8p n GLU 578 N -2.25 1.58 -1.66 0.54 0.00 -1.26 -4.90 120.64 112.69 3a8p n GLU 578 Ca 0.01 -0.86 -0.50 0.00 0.00 0.00 0.00 57.16 55.80 3a8p n GLU 578 Cb 0.15 -1.45 -0.05 0.00 0.00 0.00 0.00 31.44 30.09 3a8p n GLU 578 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.13 178.71 3a8p n HIS 579 N 0.05 2.05 -0.30 -1.84 -0.00 -0.96 -4.85 115.22 109.38 3a8p n HIS 579 Ca 0.18 0.34 0.05 0.00 0.46 0.00 0.00 57.72 58.75 3a8p n HIS 579 Cb 0.31 -2.50 0.25 0.00 -0.12 0.00 0.00 29.99 27.93 3a8p n HIS 579 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 3a8p h PRO 580 N 6.65 0.97 0.00 1.57 0.11 -1.92 -3.32 132.00 136.06 3a8p h PRO 580 Ca -0.47 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.58 3a8p h PRO 580 Cb 1.29 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3a8p h PRO 580 CO 0.89 0.64 -1.57 1.63 -0.21 0.00 0.00 178.00 179.38 3a8p n LYS 581 N -4.50 0.53 -4.16 1.05 5.02 -1.26 -5.04 118.16 109.81 3a8p n LYS 581 Ca 0.14 -0.12 -0.16 0.00 -2.02 0.00 0.00 58.31 56.15 3a8p n LYS 581 Cb 0.22 -1.32 -0.11 0.00 -0.02 0.00 0.00 35.03 33.80 3a8p n LYS 581 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3a8p s LYS 582 N -2.92 0.80 0.28 1.97 1.02 -1.25 -5.15 119.74 114.49 3a8p s LYS 582 Ca -0.04 -1.04 0.07 0.00 0.02 0.00 0.00 55.97 54.98 3a8p s LYS 582 Cb 0.09 -0.63 -0.03 0.00 -0.52 0.00 0.00 37.83 36.74 3a8p s LYS 582 CO 0.57 0.12 0.20 -1.21 -0.92 0.00 0.00 175.35 174.11 3a8p s GLU 583 N -2.24 2.80 -1.22 1.68 8.01 -1.26 -4.45 118.70 122.02 3a8p s GLU 583 Ca 0.01 -1.16 0.00 0.00 0.01 0.00 0.00 54.97 53.83 3a8p s GLU 583 Cb -0.07 -2.49 0.00 0.00 -4.31 0.00 0.00 34.13 27.26 3a8p s GLU 583 CO 0.01 0.31 0.00 0.72 0.01 0.00 0.00 175.26 176.31 3a8p n HIS 584 N -1.20 -0.39 -3.27 1.61 8.25 -1.26 -4.69 115.22 114.27 3a8p n HIS 584 Ca -0.06 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.01 3a8p n HIS 584 Cb 0.59 -2.69 -0.06 0.00 1.12 0.00 0.00 29.99 28.95 3a8p n HIS 584 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3a8p s VAL 585 N -2.59 4.94 0.16 1.59 1.01 -1.26 -0.20 120.40 124.05 3a8p s VAL 585 Ca 0.00 1.15 0.05 0.00 0.00 0.00 0.00 61.98 63.19 3a8p s VAL 585 Cb 0.00 -3.88 -0.04 0.00 0.00 0.00 0.00 36.38 32.45 3a8p s VAL 585 CO 0.00 0.44 -0.11 0.72 0.00 0.00 0.00 175.10 176.15 3a8p s PHE 586 N -0.32 1.37 -0.09 5.22 -0.71 0.98 -0.24 117.98 124.19 3a8p s PHE 586 Ca 0.29 -0.71 0.02 0.00 -1.04 0.00 0.00 56.93 55.50 3a8p s PHE 586 Cb -0.18 -0.68 0.01 0.00 -1.21 0.00 0.00 43.02 40.96 3a8p s PHE 586 CO 0.16 0.15 -0.15 0.00 -1.34 0.00 0.00 175.22 174.04 3a8p s LEU 588 N 0.78 3.06 -0.14 0.00 0.20 -0.46 -0.10 118.68 122.02 3a8p s LEU 588 Ca -0.11 -0.19 0.02 0.00 0.69 0.00 0.00 54.13 54.54 3a8p s LEU 588 Cb -0.16 -1.72 0.01 0.00 -0.43 0.00 0.00 46.19 43.89 3a8p s LEU 588 CO 0.02 0.18 -0.21 -0.94 -0.29 0.00 0.00 176.35 175.11 3a8p s SER 589 N 0.27 3.17 0.61 3.68 1.04 -0.53 -0.44 113.70 121.51 3a8p s SER 589 Ca -0.05 -0.58 -0.01 0.00 0.48 0.00 0.00 55.95 55.79 3a8p s SER 589 Cb -0.15 -1.46 0.02 0.00 0.10 0.00 0.00 66.02 64.53 3a8p s SER 589 CO 0.04 0.09 0.10 -0.46 0.98 0.00 0.00 173.24 173.99 3a8p n ASN 590 N 4.00 0.08 -0.35 7.02 0.23 -0.82 -1.41 115.26 124.00 3a8p n ASN 590 Ca -0.20 -1.08 0.13 0.00 -0.53 0.00 0.00 54.58 52.90 3a8p n ASN 590 Cb 0.52 -0.07 0.56 0.00 -2.08 0.00 0.00 39.78 38.71 3a8p n ASN 590 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 3a8p n SER 591 N -3.02 1.09 -0.49 0.53 3.41 -1.26 -4.02 113.62 109.85 3a8p n SER 591 Ca 0.01 -1.46 0.05 0.00 -0.26 0.00 0.00 58.87 57.21 3a8p n SER 591 Cb 0.05 -0.03 0.13 0.00 -0.26 0.00 0.00 64.21 64.10 3a8p n SER 591 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3a8p n GLY 593 N -0.01 0.77 3.88 0.00 0.00 -1.26 -4.74 105.19 103.83 3a8p n GLY 593 Ca 0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 3a8p n GLY 593 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3a8p s ASP 594 N -2.32 6.57 -0.06 1.61 1.01 -1.26 -4.03 116.67 118.19 3a8p s ASP 594 Ca 0.00 0.70 0.02 0.00 0.71 0.00 0.00 52.55 53.97 3a8p s ASP 594 Cb 0.00 -2.14 0.02 0.00 1.01 0.00 0.00 42.92 41.81 3a8p s ASP 594 CO 0.00 0.15 -0.09 -0.69 0.21 0.00 0.00 175.17 174.75 3a8p s VAL 595 N -1.46 0.87 0.10 -1.27 1.01 0.43 -1.95 120.40 118.13 3a8p s VAL 595 Ca 0.35 -0.31 0.08 0.00 0.00 0.00 0.00 61.98 62.09 3a8p s VAL 595 Cb -0.13 -0.84 -0.03 0.00 0.00 0.00 0.00 36.38 35.38 3a8p s VAL 595 CO 0.20 0.30 -0.20 -0.31 0.00 0.00 0.00 175.10 175.08 3a8p s TYR 596 N 0.85 1.75 0.00 5.22 2.02 0.42 -0.80 117.35 126.81 3a8p s TYR 596 Ca -0.12 -0.42 0.04 0.00 -0.37 0.00 0.00 57.07 56.20 3a8p s TYR 596 Cb -0.15 -0.96 -0.03 0.00 -0.40 0.00 0.00 41.96 40.42 3a8p s TYR 596 CO 0.01 0.20 -0.08 -0.51 -1.57 0.00 0.00 175.55 173.60 3a8p s LEU 597 N -1.91 3.11 0.03 -1.29 1.43 0.23 -1.36 118.68 118.93 3a8p s LEU 597 Ca 0.06 -0.17 0.02 0.00 -1.03 0.00 0.00 54.13 53.01 3a8p s LEU 597 Cb -0.10 -1.78 -0.02 0.00 0.03 0.00 0.00 46.19 44.32 3a8p s LEU 597 CO 0.04 0.28 -0.07 -0.36 0.23 0.00 0.00 176.35 176.48 3a8p s PHE 598 N -0.98 0.58 -0.17 0.29 0.08 0.10 -1.39 117.98 116.48 3a8p s PHE 598 Ca 0.17 -0.47 0.01 0.00 0.12 0.00 0.00 56.93 56.75 3a8p s PHE 598 Cb -0.11 -0.35 0.03 0.00 -0.57 0.00 0.00 43.02 42.02 3a8p s PHE 598 CO 0.07 -0.10 -0.13 -1.14 -0.10 0.00 0.00 175.22 173.82 3a8p s GLN 599 N -1.44 2.26 0.91 0.44 0.74 -0.30 -0.02 119.66 122.26 3a8p s GLN 599 Ca -0.10 -0.70 -0.14 0.00 0.05 0.00 0.00 55.36 54.47 3a8p s GLN 599 Cb -0.09 -2.28 0.17 0.00 1.10 0.00 0.00 33.01 31.91 3a8p s GLN 599 CO 0.00 -0.31 1.26 0.00 -0.55 0.00 0.00 175.29 175.69 3a8p s ALA 600 N 1.43 2.46 -0.59 1.58 0.00 0.73 -2.36 121.76 125.01 3a8p s ALA 600 Ca 0.02 -1.18 0.24 0.00 0.00 0.00 0.00 51.96 51.05 3a8p s ALA 600 Cb -0.14 -2.72 0.43 0.00 0.00 0.00 0.00 23.12 20.69 3a8p s ALA 600 CO -0.10 -2.21 1.44 1.79 0.00 0.00 0.00 175.76 176.68 3a8p h THR 601 N -1.42 0.00 -2.24 0.00 1.35 -1.86 -3.45 112.91 105.28 3a8p h THR 601 Ca -0.44 -0.61 0.21 0.00 -0.55 0.00 0.00 66.41 65.02 3a8p h THR 601 Cb 1.25 1.34 -0.07 0.00 -1.73 0.00 0.00 68.15 68.94 3a8p h THR 601 CO 0.42 0.00 0.61 -0.94 -0.25 0.00 0.00 175.52 175.37 3a8p s SER 602 N -4.67 -0.07 0.23 5.36 1.04 -1.26 -4.97 113.70 109.36 3a8p s SER 602 Ca 0.07 -0.45 -0.05 0.00 0.48 0.00 0.00 55.95 56.00 3a8p s SER 602 Cb 0.12 0.41 0.24 0.00 0.10 0.00 0.00 66.02 66.89 3a8p s SER 602 CO 0.69 -0.79 1.73 -0.61 0.98 0.00 0.00 173.24 175.24 3a8p h GLN 603 N 2.00 0.94 -0.45 4.02 5.75 -1.94 -0.42 115.11 125.01 3a8p h GLN 603 Ca -0.26 -0.25 -0.05 0.00 -0.15 0.00 0.00 58.65 57.93 3a8p h GLN 603 Cb 1.22 -0.11 -0.02 0.00 1.07 0.00 0.00 27.48 29.64 3a8p h GLN 603 CO 0.30 0.89 0.07 1.15 -2.65 0.00 0.00 178.83 178.59 3a8p h THR 604 N 0.88 1.25 -0.47 2.39 2.02 -1.99 -0.99 112.91 116.00 3a8p h THR 604 Ca 0.17 -0.91 0.00 0.00 0.77 0.00 0.00 66.41 66.45 3a8p h THR 604 Cb 0.44 0.97 -0.02 0.00 -1.74 0.00 0.00 68.15 67.80 3a8p h THR 604 CO 0.02 0.32 0.30 -0.78 0.37 0.00 0.00 175.52 175.74 3a8p h ASP 605 N 0.60 0.55 -0.18 4.18 3.58 -1.84 -0.89 116.42 122.42 3a8p h ASP 605 Ca 0.13 -0.03 0.04 0.00 0.42 0.00 0.00 57.03 57.59 3a8p h ASP 605 Cb 0.39 -0.14 -0.03 0.00 1.72 0.00 0.00 39.33 41.27 3a8p h ASP 605 CO 0.01 0.42 -0.04 0.25 -2.88 0.00 0.00 179.24 177.00 3a8p h LEU 606 N 0.63 -0.15 -1.18 2.28 6.46 -0.85 -0.64 115.31 121.86 3a8p h LEU 606 Ca 0.17 0.05 0.05 0.00 -0.12 0.00 0.00 57.88 58.03 3a8p h LEU 606 Cb -0.05 0.11 -0.05 0.00 -0.73 0.00 0.00 40.66 39.94 3a8p h LEU 606 CO -0.03 -0.05 0.57 -0.33 -0.62 0.00 0.00 178.44 177.97 3a8p h GLU 607 N 0.01 1.01 -0.15 1.25 5.08 -0.78 -0.57 114.58 120.44 3a8p h GLU 607 Ca 0.09 -0.06 -0.13 0.00 -1.00 0.00 0.00 59.36 58.26 3a8p h GLU 607 Cb 0.13 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 3a8p h GLU 607 CO -0.18 0.67 -0.45 -0.91 -1.00 0.00 0.00 179.01 177.13 3a8p h ASN 608 N 1.04 0.38 -0.30 1.42 2.35 -0.48 -2.06 115.58 117.93 3a8p h ASN 608 Ca 0.36 -0.18 -0.14 0.00 -0.55 0.00 0.00 56.30 55.79 3a8p h ASN 608 Cb 0.10 -0.11 -0.00 0.00 0.05 0.00 0.00 38.32 38.36 3a8p h ASN 608 CO -0.12 0.79 -0.37 -0.50 -1.65 0.00 0.00 177.43 175.58 3a8p h TRP 609 N 0.29 0.95 -0.30 1.19 4.06 -0.18 -1.06 115.95 120.90 3a8p h TRP 609 Ca 0.02 -0.30 -0.02 0.00 2.06 0.00 0.00 58.89 60.65 3a8p h TRP 609 Cb 0.91 -0.19 -0.01 0.00 -1.00 0.00 0.00 29.16 28.87 3a8p h TRP 609 CO 0.02 1.09 0.12 0.28 -3.56 0.00 0.00 178.44 176.39 3a8p h VAL 610 N 0.55 1.18 -0.44 1.49 2.07 -1.09 -1.61 116.25 118.40 3a8p h VAL 610 Ca 0.04 -0.55 -0.05 0.00 0.82 0.00 0.00 66.70 66.96 3a8p h VAL 610 Cb 0.96 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 31.68 3a8p h VAL 610 CO 0.09 0.19 0.07 0.74 0.02 0.00 0.00 177.57 178.67 3a8p h THR 611 N 0.34 1.25 -0.23 2.57 2.02 -1.37 -1.65 112.91 115.83 3a8p h THR 611 Ca 0.10 -0.90 -0.03 0.00 0.77 0.00 0.00 66.41 66.35 3a8p h THR 611 Cb 0.18 0.99 -0.01 0.00 -1.74 0.00 0.00 68.15 67.57 3a8p h THR 611 CO -0.01 0.31 0.04 0.00 0.37 0.00 0.00 175.52 176.24 3a8p h ALA 612 N 0.94 0.30 -0.26 6.16 0.00 -1.12 -0.81 119.26 124.47 3a8p h ALA 612 Ca 0.13 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 3a8p h ALA 612 Cb 0.39 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3a8p h ALA 612 CO 0.01 -0.03 0.08 0.82 0.00 0.00 0.00 179.25 180.13 3a8p h ILE 613 N 0.19 1.20 -0.72 0.00 2.04 -1.28 -1.50 117.51 117.44 3a8p h ILE 613 Ca 0.07 -0.64 -0.04 0.00 1.00 0.00 0.00 64.86 65.25 3a8p h ILE 613 Cb 0.31 1.13 -0.03 0.00 -0.74 0.00 0.00 36.82 37.48 3a8p h ILE 613 CO 0.00 0.21 0.28 0.45 0.00 0.00 0.00 178.15 179.09 3a8p h HIS 614 N 0.26 1.11 0.20 1.37 3.86 -1.29 -0.95 115.15 119.71 3a8p h HIS 614 Ca 0.08 -0.09 -0.01 0.00 -1.16 0.00 0.00 60.37 59.20 3a8p h HIS 614 Cb 0.25 -0.33 -0.00 0.00 1.06 0.00 0.00 27.41 28.38 3a8p h HIS 614 CO 0.01 0.85 -0.13 0.77 0.86 0.00 0.00 177.93 180.29 3a8p h SER 615 N 1.04 -0.31 -0.67 2.45 0.02 -0.99 0.30 113.55 115.38 3a8p h SER 615 Ca 0.24 0.02 0.09 0.00 -0.84 0.00 0.00 61.79 61.30 3a8p h SER 615 Cb 0.22 0.10 -0.07 0.00 0.14 0.00 0.00 62.40 62.79 3a8p h SER 615 CO -0.02 -0.20 0.30 0.00 -1.14 0.00 0.00 176.83 175.77 3a8p h ALA 616 N 0.47 0.90 -0.35 3.77 0.00 -1.12 0.18 119.26 123.11 3a8p h ALA 616 Ca -0.02 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3a8p h ALA 616 Cb 0.27 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 3a8p h ALA 616 CO 0.02 -0.11 0.18 0.00 0.00 0.00 0.00 179.25 179.34 3a8p h ALA 618 N 1.04 0.37 -0.02 0.00 0.00 0.45 0.33 119.26 121.43 3a8p h ALA 618 Ca 0.12 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.03 3a8p h ALA 618 Cb 0.09 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3a8p h ALA 618 CO -0.02 -0.16 -0.09 1.03 0.00 0.00 0.00 179.25 180.02 3a8p h SER 619 N 0.40 -0.26 -0.24 0.00 0.87 -0.45 0.16 113.55 114.03 3a8p h SER 619 Ca 0.11 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.71 3a8p h SER 619 Cb -0.04 0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.02 3a8p h SER 619 CO -0.02 -0.13 0.16 0.25 -0.53 0.00 0.00 176.83 176.56 3a8p h LEU 620 N -0.15 0.29 -0.76 2.23 5.85 -0.72 0.11 115.31 122.16 3a8p h LEU 620 Ca 0.04 -0.02 0.11 0.00 0.84 0.00 0.00 57.88 58.85 3a8p h LEU 620 Cb 0.20 -0.07 -0.08 0.00 0.37 0.00 0.00 40.66 41.07 3a8p h LEU 620 CO -0.10 0.22 0.37 0.15 -0.34 0.00 0.00 178.44 178.74 3a8p h PHE 621 N 0.32 0.66 -0.25 1.25 3.57 0.05 -0.91 116.94 121.62 3a8p h PHE 621 Ca 0.09 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.50 3a8p h PHE 621 Cb -0.02 -0.18 -0.00 0.00 2.79 0.00 0.00 35.95 38.54 3a8p h PHE 621 CO -0.06 0.19 -0.31 0.00 -2.23 0.00 0.00 178.31 175.91 3a8p h ALA 622 N 1.48 0.38 -0.15 2.41 0.00 -0.12 -3.05 119.26 120.22 3a8p h ALA 622 Ca 0.39 -0.41 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 3a8p h ALA 622 Cb 0.48 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3a8p h ALA 622 CO -0.32 0.41 -0.07 0.87 0.00 0.00 0.00 179.25 180.14 3a8p h LYS 623 N 0.38 0.22 0.00 0.00 1.57 -0.15 -0.00 116.57 118.58 3a8p h LYS 623 Ca 0.03 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3a8p h LYS 623 Cb 0.88 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.15 3a8p h LYS 623 CO 0.07 0.31 0.00 1.63 -0.57 0.00 0.00 179.45 180.89 3a8p n LYS 624 N -4.33 0.23 0.00 3.15 5.02 -0.41 -2.09 118.16 119.74 3a8p n LYS 624 Ca -0.01 0.30 0.12 0.00 -2.02 0.00 0.00 58.31 56.70 3a8p n LYS 624 Cb 0.22 -1.83 0.16 0.00 -0.02 0.00 0.00 35.03 33.56 3a8p n LYS 624 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 3a8p n HIS 625 N -2.25 0.00 0.00 2.13 8.25 -0.10 -4.94 115.22 118.30 3a8p n HIS 625 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 3a8p n HIS 625 Cb 0.35 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.45 3a8p n HIS 625 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3a8p n GLY 626 N 1.34 2.79 3.76 -1.41 0.00 -0.66 -4.98 105.19 106.03 3a8p n GLY 626 Ca 0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 3a8p n GLY 626 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3a8p s LYS 627 N 0.00 3.40 -0.25 1.61 -0.14 -1.04 -4.92 119.74 118.41 3a8p s LYS 627 Ca 0.00 1.90 -0.08 0.00 -1.36 0.00 0.00 55.97 56.43 3a8p s LYS 627 Cb 0.00 -2.24 -0.12 0.00 -1.68 0.00 0.00 37.83 33.79 3a8p s LYS 627 CO 0.00 -0.88 -0.29 -1.91 -0.76 0.00 0.00 175.35 171.51 3a8p n GLU 628 N -0.91 0.55 -2.19 1.68 4.07 -1.26 -4.06 120.64 118.52 3a8p n GLU 628 Ca 0.10 0.21 -0.31 0.00 -0.06 0.00 0.00 57.16 57.09 3a8p n GLU 628 Cb 0.48 -1.42 -0.05 0.00 -0.06 0.00 0.00 31.44 30.39 3a8p n GLU 628 CO 0.00 0.00 0.00 0.34 -0.06 0.00 0.00 177.13 177.41 3a8p s ASP 629 N -6.98 5.49 0.19 4.31 -1.08 -1.26 -4.80 116.67 112.54 3a8p s ASP 629 Ca -0.34 -1.57 -0.17 0.00 -0.52 0.00 0.00 52.55 49.95 3a8p s ASP 629 Cb 0.12 -2.58 0.17 0.00 -1.46 0.00 0.00 42.92 39.17 3a8p s ASP 629 CO 0.48 -2.55 1.61 0.74 0.52 0.00 0.00 175.17 175.97 3a8p h THR 630 N 6.36 0.31 -0.83 1.71 2.02 -1.95 -1.79 112.91 118.74 3a8p h THR 630 Ca 0.23 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.46 3a8p h THR 630 Cb 0.95 0.31 -0.06 0.00 -1.74 0.00 0.00 68.15 67.61 3a8p h THR 630 CO 1.28 0.00 0.52 0.58 0.37 0.00 0.00 175.52 178.27 3a8p h VAL 631 N -0.09 1.08 -0.78 3.16 2.07 -1.97 -1.25 116.25 118.46 3a8p h VAL 631 Ca 0.26 -0.34 -0.02 0.00 0.82 0.00 0.00 66.70 67.42 3a8p h VAL 631 Cb 0.49 0.01 -0.04 0.00 -1.52 0.00 0.00 31.29 30.23 3a8p h VAL 631 CO -0.62 0.18 0.42 -0.09 0.02 0.00 0.00 177.57 177.48 3a8p h ARG 632 N 0.98 1.09 0.25 1.57 2.43 -1.75 -1.77 114.38 117.19 3a8p h ARG 632 Ca 0.35 -0.13 -0.01 0.00 -0.81 0.00 0.00 59.98 59.38 3a8p h ARG 632 Cb 0.10 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.44 3a8p h ARG 632 CO -0.15 0.81 -0.12 1.25 -1.51 0.00 0.00 179.97 180.26 3a8p h LEU 633 N 1.09 -0.28 -1.05 3.80 5.85 -0.80 -2.31 115.31 121.61 3a8p h LEU 633 Ca 0.27 -0.08 0.16 0.00 0.84 0.00 0.00 57.88 59.07 3a8p h LEU 633 Cb 0.04 0.07 -0.09 0.00 0.37 0.00 0.00 40.66 41.05 3a8p h LEU 633 CO -0.04 -0.10 0.62 -0.07 -0.34 0.00 0.00 178.44 178.51 3a8p h LEU 634 N -0.45 0.83 -0.55 2.25 3.38 -1.07 -0.99 115.31 118.71 3a8p h LEU 634 Ca -0.03 0.07 -0.11 0.00 0.09 0.00 0.00 57.88 57.90 3a8p h LEU 634 Cb 0.34 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 3a8p h LEU 634 CO 0.06 0.37 -0.08 0.11 0.09 0.00 0.00 178.44 178.99 3a8p h LYS 635 N 0.85 1.02 -0.50 1.13 1.57 -1.15 -1.71 116.57 117.78 3a8p h LYS 635 Ca 0.53 -0.37 -0.09 0.00 -1.87 0.00 0.00 60.65 58.86 3a8p h LYS 635 Cb 0.71 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.93 3a8p h LYS 635 CO -0.31 1.05 -0.04 0.77 -0.57 0.00 0.00 179.45 180.35 3a8p h SER 636 N 0.90 0.84 -0.29 0.86 0.02 -0.66 -1.92 113.55 113.29 3a8p h SER 636 Ca 0.14 -0.23 -0.01 0.00 -0.84 0.00 0.00 61.79 60.86 3a8p h SER 636 Cb 0.64 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.95 3a8p h SER 636 CO 0.04 0.93 0.15 1.56 -1.14 0.00 0.00 176.83 178.37 3a8p h GLN 637 N 0.79 0.42 -0.16 3.45 1.08 -1.06 -0.88 115.11 118.75 3a8p h GLN 637 Ca 0.14 -0.06 0.04 0.00 -1.45 0.00 0.00 58.65 57.33 3a8p h GLN 637 Cb 0.53 -0.08 -0.04 0.00 -0.05 0.00 0.00 27.48 27.84 3a8p h GLN 637 CO 0.03 0.39 -0.10 1.15 -0.95 0.00 0.00 178.83 179.35 3a8p h THR 638 N 0.35 0.70 -0.24 -0.54 2.02 -0.93 0.25 112.91 114.51 3a8p h THR 638 Ca 0.10 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.29 3a8p h THR 638 Cb 0.10 0.70 -0.01 0.00 -1.74 0.00 0.00 68.15 67.20 3a8p h THR 638 CO -0.01 0.00 0.15 0.03 0.37 0.00 0.00 175.52 176.06 3a8p h ARG 639 N -0.09 0.30 -0.52 6.66 3.08 -1.21 -0.44 114.38 122.15 3a8p h ARG 639 Ca 0.10 -0.02 0.03 0.00 0.07 0.00 0.00 59.98 60.15 3a8p h ARG 639 Cb 0.24 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.18 3a8p h ARG 639 CO -0.22 0.20 0.31 1.03 -1.07 0.00 0.00 179.97 180.22 3a8p h SER 640 N 0.31 0.50 -0.55 7.04 0.87 -0.76 -1.99 113.55 118.97 3a8p h SER 640 Ca 0.09 0.01 -0.04 0.00 -1.23 0.00 0.00 61.79 60.62 3a8p h SER 640 Cb -0.02 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 61.81 3a8p h SER 640 CO -0.03 0.35 0.20 -0.07 -0.53 0.00 0.00 176.83 176.75 3a8p h LEU 641 N 0.61 0.78 -1.22 2.23 3.38 -0.21 -1.95 115.31 118.93 3a8p h LEU 641 Ca 0.21 -0.19 0.03 0.00 0.09 0.00 0.00 57.88 58.02 3a8p h LEU 641 Cb 0.03 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.53 3a8p h LEU 641 CO -0.10 0.76 0.54 -0.07 0.09 0.00 0.00 178.44 179.65 3a8p h LEU 642 N 0.75 0.89 -0.44 1.67 4.07 -0.72 -0.14 115.31 121.39 3a8p h LEU 642 Ca 0.18 -0.01 -0.17 0.00 0.08 0.00 0.00 57.88 57.95 3a8p h LEU 642 Cb 0.24 -0.21 -0.01 0.00 1.08 0.00 0.00 40.66 41.76 3a8p h LEU 642 CO -0.01 0.62 -0.75 1.56 -1.08 0.00 0.00 178.44 178.77 3a8p h GLN 643 N 1.03 0.22 -0.07 1.13 4.20 -1.08 -1.28 115.11 119.27 3a8p h GLN 643 Ca 0.32 -0.20 -0.17 0.00 0.06 0.00 0.00 58.65 58.66 3a8p h GLN 643 Cb -0.00 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.82 3a8p h GLN 643 CO -0.09 0.88 -0.70 0.87 -0.67 0.00 0.00 178.83 179.12 3a8p h LYS 644 N 0.15 0.33 -0.05 1.46 1.57 -0.80 -1.87 116.57 117.35 3a8p h LYS 644 Ca -0.03 -0.26 -0.01 0.00 -1.87 0.00 0.00 60.65 58.48 3a8p h LYS 644 Cb 1.33 0.05 -0.00 0.00 0.08 0.00 0.00 32.23 33.69 3a8p h LYS 644 CO 0.12 0.90 -0.01 0.82 -0.57 0.00 0.00 179.45 180.71 3a8p h ILE 645 N 0.23 1.27 -0.51 1.86 2.04 -0.93 -1.19 117.51 120.28 3a8p h ILE 645 Ca -0.02 -0.84 0.05 0.00 1.00 0.00 0.00 64.86 65.04 3a8p h ILE 645 Cb 1.25 1.73 -0.05 0.00 -0.74 0.00 0.00 36.82 39.02 3a8p h ILE 645 CO 0.11 0.23 0.24 -0.78 0.00 0.00 0.00 178.15 177.96 3a8p h ASP 646 N -0.22 0.33 0.51 1.72 -0.00 -1.21 0.91 116.42 118.46 3a8p h ASP 646 Ca 0.01 0.04 -0.02 0.00 -0.00 0.00 0.00 57.03 57.06 3a8p h ASP 646 Cb 0.37 -0.02 -0.01 0.00 -0.00 0.00 0.00 39.33 39.67 3a8p h ASP 646 CO 0.00 0.22 -0.32 -0.03 -0.00 0.00 0.00 179.24 179.12 3a8p h MET 647 N 0.47 -0.77 -0.05 0.28 4.05 -1.21 -2.28 114.93 115.42 3a8p h MET 647 Ca 0.23 0.05 -0.07 0.00 -0.28 0.00 0.00 59.70 59.64 3a8p h MET 647 Cb 0.17 0.17 -0.01 0.00 -0.80 0.00 0.00 31.60 31.13 3a8p h MET 647 CO -0.18 -0.51 -0.28 -0.44 0.23 0.00 0.00 176.91 175.73 3a8p h ASP 648 N -0.80 0.08 -0.64 1.39 3.45 -1.06 -2.63 116.42 116.21 3a8p h ASP 648 Ca -0.06 -0.02 -0.02 0.00 0.43 0.00 0.00 57.03 57.36 3a8p h ASP 648 Cb 0.65 -0.02 -0.03 0.00 -0.56 0.00 0.00 39.33 39.37 3a8p h ASP 648 CO 0.05 0.36 0.33 0.28 -1.57 0.00 0.00 179.24 178.70 3a8p h SER 649 N 0.07 0.82 0.16 6.45 0.02 -0.64 1.00 113.55 121.44 3a8p h SER 649 Ca 0.01 -0.11 -0.01 0.00 -0.84 0.00 0.00 61.79 60.84 3a8p h SER 649 Cb 0.53 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.86 3a8p h SER 649 CO 0.04 0.70 -0.08 0.11 -1.14 0.00 0.00 176.83 176.45 3a8p h LYS 650 N 0.88 -0.22 -0.55 3.45 1.57 -1.06 0.18 116.57 120.82 3a8p h LYS 650 Ca 0.22 0.02 0.05 0.00 -1.87 0.00 0.00 60.65 59.07 3a8p h LYS 650 Cb 0.08 0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.39 3a8p h LYS 650 CO -0.03 -0.15 0.28 0.52 -0.57 0.00 0.00 179.45 179.50 3a8p h MET 651 N -0.23 0.51 -0.60 3.15 2.86 -1.22 -1.03 114.93 118.36 3a8p h MET 651 Ca -0.02 -0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.57 3a8p h MET 651 Cb 0.18 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 31.70 3a8p h MET 651 CO 0.03 0.34 0.31 -0.22 1.06 0.00 0.00 176.91 178.43 3a8p h LYS 652 N 0.53 0.86 -0.01 1.72 3.64 -0.46 -1.38 116.57 121.46 3a8p h LYS 652 Ca 0.25 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 3a8p h LYS 652 Cb 0.16 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 31.82 3a8p h LYS 652 CO -0.17 0.67 -0.01 -0.22 -2.27 0.00 0.00 179.45 177.45 3a8p h LYS 653 N 0.82 -0.01 -0.68 1.90 3.64 -0.02 -1.60 116.57 120.62 3a8p h LYS 653 Ca 0.21 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.64 3a8p h LYS 653 Cb 0.08 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 31.85 3a8p h LYS 653 CO -0.03 -0.01 0.40 0.52 -2.27 0.00 0.00 179.45 178.06 3a8p h MET 654 N -0.01 0.72 0.00 1.90 2.86 -1.04 -0.24 114.93 119.12 3a8p h MET 654 Ca 0.01 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.60 3a8p h MET 654 Cb 0.02 -0.16 -0.00 0.00 0.06 0.00 0.00 31.60 31.52 3a8p h MET 654 CO -0.02 0.48 -0.01 0.00 1.06 0.00 0.00 176.91 178.42 3a8p h ALA 655 N 1.34 1.08 -0.05 6.32 0.00 -0.76 -2.61 119.26 124.57 3a8p h ALA 655 Ca 0.30 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 3a8p h ALA 655 Cb 0.14 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 3a8p h ALA 655 CO -0.16 0.02 -0.01 0.93 0.00 0.00 0.00 179.25 180.03 3a8p h GLU 656 N 0.00 0.10 0.45 0.00 4.39 -0.06 -3.06 114.58 116.40 3a8p h GLU 656 Ca -0.00 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.65 3a8p h GLU 656 Cb 0.15 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.78 3a8p h GLU 656 CO 0.00 0.41 -0.36 -0.07 -1.16 0.00 0.00 179.01 177.83 3a8p h LEU 657 N -0.22 -0.95 -0.95 1.33 -0.00 -1.44 -2.57 115.31 110.52 3a8p h LEU 657 Ca 0.01 0.07 0.26 0.00 -0.00 0.00 0.00 57.88 58.22 3a8p h LEU 657 Cb 0.36 0.30 -0.17 0.00 -0.00 0.00 0.00 40.66 41.15 3a8p h LEU 657 CO 0.00 -0.51 0.07 1.56 -0.00 0.00 0.00 178.44 179.57 3a8p h GLN 658 N -0.78 0.04 -0.95 1.13 1.08 -1.65 0.77 115.11 114.75 3a8p h GLN 658 Ca -0.06 -0.00 0.02 0.00 -1.45 0.00 0.00 58.65 57.16 3a8p h GLN 658 Cb 0.66 -0.01 -0.05 0.00 -0.05 0.00 0.00 27.48 28.03 3a8p h GLN 658 CO 0.01 0.03 0.63 1.25 -0.95 0.00 0.00 178.83 179.80 3a8p h LEU 659 N 0.04 1.07 -0.52 1.46 7.12 -1.40 -1.25 115.31 121.84 3a8p h LEU 659 Ca 0.58 -0.02 0.00 0.00 0.13 0.00 0.00 57.88 58.57 3a8p h LEU 659 Cb 1.20 -0.26 0.00 0.00 -0.53 0.00 0.00 40.66 41.07 3a8p h LEU 659 CO -0.86 0.76 0.00 0.77 -0.13 0.00 0.00 178.44 178.99 3a8p h SER 660 N 1.26 0.00 -0.46 1.25 4.64 0.94 -3.24 113.55 117.94 3a8p h SER 660 Ca 0.36 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 61.35 3a8p h SER 660 Cb -0.09 0.00 -0.35 0.00 -0.31 0.00 0.00 62.40 61.65 3a8p h SER 660 CO -0.09 0.00 -0.88 1.33 -0.87 0.00 0.00 176.83 176.32 3a8p n VAL 661 N -2.33 1.86 -4.40 0.95 0.24 -0.56 -5.04 118.33 109.05 3a8p n VAL 661 Ca 0.03 -3.36 -0.21 0.00 -2.04 0.00 0.00 64.34 58.76 3a8p n VAL 661 Cb 0.31 -0.07 -0.16 0.00 -1.47 0.00 0.00 33.84 32.44 3a8p n VAL 661 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 3a8p s VAL 662 N -3.68 0.81 0.00 3.34 1.01 -0.69 -4.96 120.40 116.24 3a8p s VAL 662 Ca 0.40 -0.36 0.00 0.00 0.00 0.00 0.00 61.98 62.02 3a8p s VAL 662 Cb 0.38 -0.74 0.00 0.00 0.00 0.00 0.00 36.38 36.02 3a8p s VAL 662 CO -0.02 0.26 0.46 -1.54 0.00 0.00 0.00 175.10 174.25 3a8p n SER 663 N 3.42 0.86 -4.23 3.32 3.41 -1.26 -4.94 113.62 114.20 3a8p n SER 663 Ca -0.19 -1.13 -0.36 0.00 -0.26 0.00 0.00 58.87 56.92 3a8p n SER 663 Cb 0.54 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.55 3a8p n SER 663 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3a8p n ASP 664 N -0.07 -3.78 0.00 4.04 9.92 -1.26 -4.88 116.55 120.52 3a8p n ASP 664 Ca 0.00 0.37 0.00 0.00 -0.53 0.00 0.00 54.79 54.63 3a8p n ASP 664 Cb 0.11 -0.97 0.00 0.00 -0.64 0.00 0.00 41.12 39.62 3a8p n ASP 664 CO 0.00 0.00 0.00 -2.65 0.13 0.00 0.00 177.20 174.68 3a8p n PRO 665 N 0.70 0.00 0.00 -0.24 -0.02 -1.26 -3.10 135.00 131.08 3a8p n PRO 665 Ca 0.04 0.00 0.08 0.00 -2.02 0.00 0.00 63.50 61.60 3a8p n PRO 665 Cb 0.53 0.00 0.45 0.00 -0.02 0.00 0.00 33.50 34.46 3a8p n PRO 665 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 3a8p n LYS 666 N 0.00 0.49 0.08 -0.52 2.85 -1.26 -2.58 118.16 117.21 3a8p n LYS 666 Ca 0.00 0.00 -0.00 0.00 -1.05 0.00 0.00 58.31 57.26 3a8p n LYS 666 Cb 0.00 -1.49 -0.05 0.00 -0.65 0.00 0.00 35.03 32.85 3a8p n LYS 666 CO 0.00 0.00 0.00 -0.97 -0.05 0.00 0.00 177.40 176.38 3a8p h ASN 667 N 0.00 0.00 0.18 -5.58 -1.24 -1.96 -2.96 115.58 104.01 3a8p h ASN 667 Ca 0.00 0.00 -0.08 0.00 0.71 0.00 0.00 56.30 56.93 3a8p h ASN 667 Cb 0.00 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.04 3a8p h ASN 667 CO 0.00 0.62 -0.31 -0.09 -1.29 0.00 0.00 177.43 176.36 3a8p h ARG 668 N 0.00 0.21 0.00 6.67 9.65 -1.43 -2.59 114.38 126.89 3a8p h ARG 668 Ca -0.09 -0.08 0.00 0.00 -1.10 0.00 0.00 59.98 58.71 3a8p h ARG 668 Cb 1.55 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 30.11 3a8p h ARG 668 CO 0.07 0.51 -0.98 0.36 2.80 0.00 0.00 179.97 182.72 3a8p n LYS 669 N -4.12 0.29 0.07 0.20 2.85 -1.25 -3.68 118.16 112.53 3a8p n LYS 669 Ca -0.01 0.01 -0.02 0.00 -1.05 0.00 0.00 58.31 57.23 3a8p n LYS 669 Cb 0.40 -1.60 0.23 0.00 -0.65 0.00 0.00 35.03 33.41 3a8p n LYS 669 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3a8p h ALA 670 N 2.53 1.14 0.00 0.58 0.00 -1.29 -2.18 119.26 120.04 3a8p h ALA 670 Ca 0.00 -0.37 -0.11 0.00 0.00 0.00 0.00 54.91 54.43 3a8p h ALA 670 Cb 0.73 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 3a8p h ALA 670 CO 0.00 0.56 -0.54 0.82 0.00 0.00 0.00 179.25 180.08 3a8p h ILE 671 N 0.28 0.94 0.27 0.00 2.04 -1.62 -3.01 117.51 116.40 3a8p h ILE 671 Ca 0.04 -2.31 -0.01 0.00 1.00 0.00 0.00 64.86 63.57 3a8p h ILE 671 Cb 0.73 2.45 0.00 0.00 -0.74 0.00 0.00 36.82 39.26 3a8p h ILE 671 CO 0.06 0.53 -0.13 -0.33 0.00 0.00 0.00 178.15 178.28 3a8p h GLU 672 N 0.00 -0.35 -0.59 2.37 4.39 -1.48 0.10 114.58 119.02 3a8p h GLU 672 Ca -0.01 0.02 0.10 0.00 0.34 0.00 0.00 59.36 59.81 3a8p h GLU 672 Cb 1.41 0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 30.10 3a8p h GLU 672 CO 0.07 -0.13 0.40 -0.91 -1.16 0.00 0.00 179.01 177.28 3a8p h ASN 673 N -0.50 0.37 -0.04 1.42 4.21 -1.48 -0.63 115.58 118.92 3a8p h ASN 673 Ca -0.04 0.01 -0.01 0.00 1.21 0.00 0.00 56.30 57.47 3a8p h ASN 673 Cb 0.38 -0.07 -0.00 0.00 -1.12 0.00 0.00 38.32 37.51 3a8p h ASN 673 CO 0.06 0.22 -0.00 -0.61 -1.29 0.00 0.00 177.43 175.81 3a8p h GLN 674 N 0.41 0.07 -0.01 0.81 4.15 -1.27 -2.56 115.11 116.72 3a8p h GLN 674 Ca 0.27 -0.03 -0.00 0.00 0.77 0.00 0.00 58.65 59.67 3a8p h GLN 674 Cb 0.53 -0.01 -0.00 0.00 0.21 0.00 0.00 27.48 28.21 3a8p h GLN 674 CO -0.07 0.39 0.01 0.82 -1.93 0.00 0.00 178.83 178.04 3a8p h ILE 675 N -0.25 1.03 -0.88 2.39 1.08 -0.18 -2.11 117.51 118.60 3a8p h ILE 675 Ca 0.01 -0.10 0.16 0.00 -0.39 0.00 0.00 64.86 64.54 3a8p h ILE 675 Cb 0.36 1.08 -0.10 0.00 -3.07 0.00 0.00 36.82 35.09 3a8p h ILE 675 CO 0.00 0.03 0.47 -0.09 -0.69 0.00 0.00 178.15 177.86 3a8p h ARG 676 N -0.02 0.62 -0.58 2.37 2.43 -1.17 0.27 114.38 118.29 3a8p h ARG 676 Ca 0.00 -0.04 -0.10 0.00 -0.81 0.00 0.00 59.98 59.04 3a8p h ARG 676 Cb 0.04 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.43 3a8p h ARG 676 CO -0.00 0.41 -0.02 0.37 -1.51 0.00 0.00 179.97 179.22 3a8p h GLN 677 N 0.64 1.04 -0.37 0.20 5.75 -1.11 -1.36 115.11 119.89 3a8p h GLN 677 Ca 0.49 -0.34 -0.04 0.00 -0.15 0.00 0.00 58.65 58.61 3a8p h GLN 677 Cb 0.71 -0.09 -0.01 0.00 1.07 0.00 0.00 27.48 29.16 3a8p h GLN 677 CO -0.37 1.03 0.07 -1.49 -2.65 0.00 0.00 178.83 175.42 3a8p h TRP 678 N 0.93 0.64 -0.40 3.99 -0.00 -0.48 -1.24 115.95 119.39 3a8p h TRP 678 Ca 0.16 -0.08 0.01 0.00 -0.00 0.00 0.00 58.89 58.98 3a8p h TRP 678 Cb 0.58 -0.18 -0.02 0.00 -0.00 0.00 0.00 29.16 29.54 3a8p h TRP 678 CO 0.04 0.64 0.26 0.93 -0.00 0.00 0.00 178.44 180.31 3a8p h GLU 679 N 0.46 0.51 -0.69 0.49 5.08 -0.87 -0.58 114.58 118.98 3a8p h GLU 679 Ca 0.12 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.38 3a8p h GLU 679 Cb 0.34 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.44 3a8p h GLU 679 CO 0.00 0.34 0.18 1.96 -1.00 0.00 0.00 179.01 180.50 3a8p h GLN 680 N 0.53 1.09 -0.51 2.33 4.20 -1.13 -0.28 115.11 121.34 3a8p h GLN 680 Ca 0.15 -0.25 -0.01 0.00 0.06 0.00 0.00 58.65 58.60 3a8p h GLN 680 Cb -0.05 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.56 3a8p h GLN 680 CO -0.04 0.95 0.26 -0.91 -0.67 0.00 0.00 178.83 178.43 3a8p h ASN 681 N 1.04 0.66 -0.72 1.46 2.35 -0.80 -2.48 115.58 117.09 3a8p h ASN 681 Ca 0.22 -0.11 -0.06 0.00 -0.55 0.00 0.00 56.30 55.80 3a8p h ASN 681 Cb 0.34 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.51 3a8p h ASN 681 CO -0.00 0.58 0.20 -0.07 -1.65 0.00 0.00 177.43 176.49 3a8p h LEU 682 N 0.68 1.07 -1.01 1.61 3.38 -0.71 -1.55 115.31 118.78 3a8p h LEU 682 Ca 0.18 -0.21 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 3a8p h LEU 682 Cb 0.08 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 3a8p h LEU 682 CO -0.03 1.00 0.19 -0.33 0.09 0.00 0.00 178.44 179.36 3a8p h GLU 683 N 1.08 0.90 -0.24 1.13 5.08 -0.85 -0.87 114.58 120.81 3a8p h GLU 683 Ca 0.23 -0.17 -0.02 0.00 -1.00 0.00 0.00 59.36 58.40 3a8p h GLU 683 Cb 0.34 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 3a8p h GLU 683 CO -0.00 0.78 0.05 -0.22 -1.00 0.00 0.00 179.01 178.62 3a8p h LYS 684 N 0.88 0.38 -0.56 2.33 1.63 -1.10 -0.69 116.57 119.44 3a8p h LYS 684 Ca 0.20 -0.09 -0.03 0.00 -0.85 0.00 0.00 60.65 59.87 3a8p h LYS 684 Cb 0.25 -0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 31.81 3a8p h LYS 684 CO -0.01 0.49 0.23 0.74 -3.45 0.00 0.00 179.45 177.45 3a8p h PHE 685 N 0.20 0.85 -0.55 1.91 0.04 -0.94 -0.70 116.94 117.75 3a8p h PHE 685 Ca 0.07 -0.06 -0.06 0.00 2.80 0.00 0.00 57.97 60.72 3a8p h PHE 685 Cb 0.29 -0.25 -0.02 0.00 2.20 0.00 0.00 35.95 38.16 3a8p h PHE 685 CO 0.01 0.68 0.11 0.45 -0.60 0.00 0.00 178.31 178.97 3a8p h HIS 686 N 0.76 0.95 -0.09 -0.55 3.86 -1.12 0.13 115.15 119.10 3a8p h HIS 686 Ca 0.19 -0.12 0.00 0.00 -1.16 0.00 0.00 60.37 59.27 3a8p h HIS 686 Cb 0.19 -0.26 -0.00 0.00 1.06 0.00 0.00 27.41 28.39 3a8p h HIS 686 CO 0.01 0.83 0.06 1.98 0.86 0.00 0.00 177.93 181.67 3a8p h MET 687 N 0.80 0.12 -0.74 2.45 1.85 -0.88 0.25 114.93 118.76 3a8p h MET 687 Ca 0.17 -0.01 -0.06 0.00 -0.61 0.00 0.00 59.70 59.19 3a8p h MET 687 Cb 0.38 -0.03 -0.03 0.00 0.43 0.00 0.00 31.60 32.35 3a8p h MET 687 CO 0.01 0.08 0.23 -0.44 -0.40 0.00 0.00 176.91 176.39 3a8p h ASP 688 N 0.11 1.09 -0.24 1.39 3.32 -0.98 -0.41 116.42 120.70 3a8p h ASP 688 Ca 0.03 -0.21 -0.00 0.00 0.02 0.00 0.00 57.03 56.87 3a8p h ASP 688 Cb -0.01 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.25 3a8p h ASP 688 CO -0.01 1.01 0.15 0.25 -1.72 0.00 0.00 179.24 178.92 3a8p h LEU 689 N 1.11 0.29 -0.72 1.55 5.85 -0.26 0.12 115.31 123.25 3a8p h LEU 689 Ca 0.24 -0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.94 3a8p h LEU 689 Cb 0.31 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.23 3a8p h LEU 689 CO -0.01 0.25 0.46 0.15 -0.34 0.00 0.00 178.44 178.95 3a8p h PHE 690 N 0.30 0.86 -0.59 1.25 3.57 -0.24 -1.10 116.94 120.99 3a8p h PHE 690 Ca 0.09 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.57 3a8p h PHE 690 Cb 0.01 -0.28 -0.03 0.00 2.79 0.00 0.00 35.95 38.44 3a8p h PHE 690 CO -0.05 0.50 0.23 -0.09 -2.23 0.00 0.00 178.31 176.67 3a8p h ARG 691 N 0.90 0.88 -0.43 1.11 2.43 -0.42 -1.58 114.38 117.27 3a8p h ARG 691 Ca 0.28 -0.17 -0.03 0.00 -0.81 0.00 0.00 59.98 59.26 3a8p h ARG 691 Cb -0.00 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.38 3a8p h ARG 691 CO -0.10 0.76 0.13 0.52 -1.51 0.00 0.00 179.97 179.78 3a8p h MET 692 N 0.81 0.63 -0.06 0.20 2.86 -0.25 -2.11 114.93 117.01 3a8p h MET 692 Ca 0.19 -0.10 -0.14 0.00 -2.06 0.00 0.00 59.70 57.60 3a8p h MET 692 Cb 0.22 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.75 3a8p h MET 692 CO -0.01 0.56 -0.59 0.00 1.06 0.00 0.00 176.91 177.93 3a8p h ARG 693 N 0.62 0.20 -0.34 1.72 3.08 -0.67 -1.46 114.38 117.52 3a8p h ARG 693 Ca 0.15 -0.13 -0.07 0.00 0.07 0.00 0.00 59.98 59.99 3a8p h ARG 693 Cb 0.19 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 3a8p h ARG 693 CO -0.01 0.72 -0.07 0.00 -1.07 0.00 0.00 179.97 179.54 3a8p h TYR 695 N 0.45 0.59 -0.35 0.00 -1.99 -1.28 -1.37 116.97 113.02 3a8p h TYR 695 Ca 0.09 -0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.79 3a8p h TYR 695 Cb 0.57 -0.18 -0.02 0.00 2.00 0.00 0.00 36.73 39.10 3a8p h TYR 695 CO 0.05 0.50 0.23 -0.07 -0.00 0.00 0.00 178.16 178.87 3a8p h LEU 696 N 0.50 0.40 -0.91 3.88 3.38 -1.15 -1.15 115.31 120.26 3a8p h LEU 696 Ca 0.14 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.04 3a8p h LEU 696 Cb 0.15 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 3a8p h LEU 696 CO -0.01 0.29 0.20 0.00 0.09 0.00 0.00 178.44 179.00 3a8p h ALA 697 N 1.13 1.12 0.00 1.53 0.00 -0.78 0.80 119.26 123.07 3a8p h ALA 697 Ca 0.13 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 3a8p h ALA 697 Cb -0.05 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 3a8p h ALA 697 CO -0.03 0.60 -0.45 0.77 0.00 0.00 0.00 179.25 180.15 3a8p h SER 698 N 0.96 0.00 0.93 0.00 0.02 -1.06 0.26 113.55 114.66 3a8p h SER 698 Ca 0.21 0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 60.97 3a8p h SER 698 Cb 0.28 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.79 3a8p h SER 698 CO -0.01 0.45 -1.15 -0.07 -1.14 0.00 0.00 176.83 174.91 3a8p h LEU 699 N 0.00 0.00 -1.96 5.07 3.38 -0.75 -3.35 115.31 117.69 3a8p h LEU 699 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3a8p h LEU 699 Cb 1.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.84 3a8p h LEU 699 CO 0.06 0.76 0.00 0.00 0.09 0.00 0.00 178.44 179.34 3a8p n GLN 700 N -3.12 1.67 -0.97 1.13 6.02 0.23 -4.98 117.38 117.37 3a8p n GLN 700 Ca -0.06 -1.69 0.00 0.00 -0.01 0.00 0.00 57.00 55.24 3a8p n GLN 700 Cb 0.88 -1.33 0.00 0.00 1.02 0.00 0.00 30.24 30.82 3a8p n GLN 700 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3a8p n GLY 701 N 0.91 0.83 2.87 1.08 0.00 -0.06 -5.02 105.19 105.80 3a8p n GLY 701 Ca 0.11 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.90 3a8p n GLY 701 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a8p n GLY 702 N -2.13 -2.03 3.78 -0.02 0.00 -0.37 -4.98 105.19 99.44 3a8p n GLY 702 Ca 0.00 -1.60 -0.37 0.00 0.00 0.00 0.00 46.02 44.05 3a8p n GLY 702 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3a8p s GLU 703 N -5.10 4.54 0.54 1.61 2.12 -1.26 -4.64 118.70 116.51 3a8p s GLU 703 Ca 0.57 1.24 -0.20 0.00 0.36 0.00 0.00 54.97 56.94 3a8p s GLU 703 Cb -0.03 -2.90 -0.05 0.00 0.26 0.00 0.00 34.13 31.40 3a8p s GLU 703 CO 0.42 0.35 1.18 -0.51 -0.54 0.00 0.00 175.26 176.16 3a8p s LEU 704 N -1.87 3.78 0.60 2.70 1.43 -1.26 -4.81 118.68 119.24 3a8p s LEU 704 Ca 0.47 2.31 -0.19 0.00 -1.03 0.00 0.00 54.13 55.68 3a8p s LEU 704 Cb -0.19 -4.50 -0.04 0.00 0.03 0.00 0.00 46.19 41.48 3a8p s LEU 704 CO 0.24 -1.31 1.06 -0.81 0.23 0.00 0.00 176.35 175.77 3a8p n PRO 705 N -1.22 1.03 -2.05 1.29 -0.04 -1.26 -4.88 135.00 127.88 3a8p n PRO 705 Ca 0.11 0.40 -0.42 0.00 -0.04 0.00 0.00 63.50 63.54 3a8p n PRO 705 Cb 0.50 -2.26 -0.03 0.00 -0.04 0.00 0.00 33.50 31.67 3a8p n PRO 705 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 3a8p s ASN 706 N -1.21 6.62 0.59 3.54 3.84 -1.26 -4.89 114.94 122.17 3a8p s ASN 706 Ca 0.76 2.10 0.29 0.00 0.21 0.00 0.00 52.86 56.22 3a8p s ASN 706 Cb -0.42 -2.53 1.75 0.00 -0.55 0.00 0.00 41.25 39.50 3a8p s ASN 706 CO 0.47 -0.98 2.20 1.55 -2.79 0.00 0.00 177.10 177.54 3a8p h PRO 707 N 9.71 0.00 0.00 0.43 0.13 -2.02 -1.96 132.00 138.29 3a8p h PRO 707 Ca -0.38 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.70 3a8p h PRO 707 Cb 1.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 3a8p h PRO 707 CO 0.96 0.00 -0.26 0.87 -0.23 0.00 0.00 178.00 179.34 3a8p h LYS 708 N 0.00 0.00 -0.12 0.86 1.57 -1.99 -2.10 116.57 114.80 3a8p h LYS 708 Ca 0.03 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.68 3a8p h LYS 708 Cb 0.18 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 3a8p h LYS 708 CO -0.00 0.26 -0.49 0.77 -0.57 0.00 0.00 179.45 179.42 3a8p h SER 709 N 0.00 0.33 0.02 0.86 0.02 -1.75 -2.23 113.55 110.79 3a8p h SER 709 Ca -0.00 -0.16 -0.09 0.00 -0.84 0.00 0.00 61.79 60.70 3a8p h SER 709 Cb 0.65 -0.09 0.01 0.00 0.14 0.00 0.00 62.40 63.11 3a8p h SER 709 CO 0.03 0.77 -0.35 0.25 -1.14 0.00 0.00 176.83 176.39 3a8p h LEU 710 N 0.25 0.28 -2.86 5.07 5.85 -1.56 -3.25 115.31 119.09 3a8p h LEU 710 Ca 0.01 -0.82 -0.00 0.00 0.84 0.00 0.00 57.88 57.92 3a8p h LEU 710 Cb 0.95 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.89 3a8p h LEU 710 CO 0.08 1.07 -0.00 -0.07 -0.34 0.00 0.00 178.44 179.17 3a8p h LEU 711 N -0.47 0.00 -1.12 2.25 3.38 -1.36 0.16 115.31 118.15 3a8p h LEU 711 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3a8p h LEU 711 Cb 1.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.88 3a8p h LEU 711 CO 0.07 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.60 3a8p h ALA 712 N 2.00 1.00 -0.35 1.53 0.00 -1.43 -2.31 119.26 119.70 3a8p h ALA 712 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3a8p h ALA 712 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3a8p h ALA 712 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.25 3a8p n ALA 713 N -1.88 2.46 -2.60 0.00 0.00 0.55 -4.90 120.51 114.13 3a8p n ALA 713 Ca 0.01 -0.78 -0.43 0.00 0.00 0.00 0.00 53.44 52.24 3a8p n ALA 713 Cb 0.22 -0.98 -0.02 0.00 0.00 0.00 0.00 19.45 18.67 3a8p n ALA 713 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3a8p s THR 714 N -1.55 4.55 0.84 0.00 2.01 -0.87 -4.62 115.64 116.00 3a8p s THR 714 Ca 0.34 1.86 -0.11 0.00 0.31 0.00 0.00 61.69 64.10 3a8p s THR 714 Cb 0.19 -4.25 0.10 0.00 0.01 0.00 0.00 72.50 68.54 3a8p s THR 714 CO 0.27 -0.22 1.10 -0.94 -0.69 0.00 0.00 174.62 174.13 3a8p s SER 715 N 1.48 3.88 0.16 3.53 1.04 -1.26 -4.77 113.70 117.76 3a8p s SER 715 Ca 0.47 1.80 -0.15 0.00 0.48 0.00 0.00 55.95 58.55 3a8p s SER 715 Cb -0.16 -2.44 0.08 0.00 0.10 0.00 0.00 66.02 63.60 3a8p s SER 715 CO 0.10 -2.43 1.77 0.03 0.98 0.00 0.00 173.24 173.69 3a8p h ARG 716 N -1.40 0.39 -0.51 4.02 3.08 -1.99 -1.05 114.38 116.91 3a8p h ARG 716 Ca -0.45 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.57 3a8p h ARG 716 Cb 1.25 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 31.19 3a8p h ARG 716 CO 0.50 0.26 0.32 -1.35 -1.07 0.00 0.00 179.97 178.63 3a8p h PRO 717 N 0.40 0.68 -0.36 0.04 0.11 -2.00 -1.53 132.00 129.34 3a8p h PRO 717 Ca 0.18 -0.05 -0.15 0.00 0.11 0.00 0.00 66.00 66.10 3a8p h PRO 717 Cb 0.11 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.06 3a8p h PRO 717 CO -0.14 0.47 -0.35 0.77 -0.21 0.00 0.00 178.00 178.54 3a8p h SER 718 N 0.70 0.93 0.00 -2.05 0.02 -1.75 -2.04 113.55 109.36 3a8p h SER 718 Ca 0.19 -0.46 -0.00 0.00 -0.84 0.00 0.00 61.79 60.67 3a8p h SER 718 Cb -0.05 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.23 3a8p h SER 718 CO -0.04 1.20 -0.00 0.11 -1.14 0.00 0.00 176.83 176.96 3a8p h LYS 719 N 0.67 -0.01 -0.77 3.45 1.57 -0.74 -1.11 116.57 119.64 3a8p h LYS 719 Ca 0.06 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.88 3a8p h LYS 719 Cb 0.94 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.20 3a8p h LYS 719 CO 0.09 0.11 0.51 -0.07 -0.57 0.00 0.00 179.45 179.51 3a8p h LEU 720 N -0.12 0.80 -0.42 2.94 3.38 -1.30 0.39 115.31 121.00 3a8p h LEU 720 Ca -0.00 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 3a8p h LEU 720 Cb 0.11 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 3a8p h LEU 720 CO 0.00 0.55 0.01 0.00 0.09 0.00 0.00 178.44 179.09 3a8p h ALA 721 N 1.55 0.56 0.00 1.53 0.00 -1.08 -1.40 119.26 120.42 3a8p h ALA 721 Ca 0.31 -0.26 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 3a8p h ALA 721 Cb 0.07 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3a8p h ALA 721 CO -0.09 0.33 -0.46 -0.07 0.00 0.00 0.00 179.25 178.96 3a8p h LEU 722 N 0.57 0.00 -0.37 0.00 3.38 -0.39 -1.24 115.31 117.25 3a8p h LEU 722 Ca 0.12 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.05 3a8p h LEU 722 Cb 0.47 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 3a8p h LEU 722 CO 0.02 0.46 0.08 1.23 0.09 0.00 0.00 178.44 180.32 3a8p h GLY 723 N 1.72 0.64 1.64 0.83 0.00 0.13 0.13 103.07 108.16 3a8p h GLY 723 Ca -0.00 -0.41 -0.08 0.00 0.00 0.00 0.00 47.33 46.84 3a8p h GLY 723 CO 0.06 0.38 -0.17 3.21 0.00 0.00 0.00 176.54 180.02 3a8p h ARG 724 N 0.44 0.43 -0.72 4.80 3.08 -0.96 -1.83 114.38 119.63 3a8p h ARG 724 Ca 0.11 -0.13 -0.07 0.00 0.07 0.00 0.00 59.98 59.96 3a8p h ARG 724 Cb 0.32 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.30 3a8p h ARG 724 CO 0.00 0.60 0.19 1.25 -1.07 0.00 0.00 179.97 180.94 3a8p h LEU 725 N 0.40 1.08 0.00 3.04 6.46 -0.73 -3.47 115.31 122.08 3a8p h LEU 725 Ca 0.07 -0.22 0.00 0.00 -0.12 0.00 0.00 57.88 57.61 3a8p h LEU 725 Cb 0.53 -0.28 0.00 0.00 -0.73 0.00 0.00 40.66 40.18 3a8p h LEU 725 CO 0.03 1.02 0.00 0.61 -0.62 0.00 0.00 178.44 179.49 3a8p n GLY 726 N -0.70 1.58 3.04 3.75 0.00 0.43 -4.70 105.19 108.58 3a8p n GLY 726 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 3a8p n GLY 726 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3a8p s VAL 727 N -2.22 1.62 -0.42 1.61 1.01 -1.10 -4.98 120.40 115.91 3a8p s VAL 727 Ca 0.00 -0.67 0.03 0.00 0.00 0.00 0.00 61.98 61.34 3a8p s VAL 727 Cb 0.00 -1.51 0.12 0.00 0.00 0.00 0.00 36.38 34.99 3a8p s VAL 727 CO 0.00 0.47 0.16 -0.22 0.00 0.00 0.00 175.10 175.51 3a8p s LEU 728 N 1.39 4.09 0.38 3.92 0.20 -1.26 -4.67 118.68 122.72 3a8p s LEU 728 Ca 0.03 -2.52 -0.07 0.00 0.69 0.00 0.00 54.13 52.26 3a8p s LEU 728 Cb -0.13 -1.49 0.03 0.00 -0.43 0.00 0.00 46.19 44.17 3a8p s LEU 728 CO -0.09 -0.31 0.62 -0.94 -0.29 0.00 0.00 176.35 175.34 3a8p s SER 729 N 0.40 0.64 0.22 3.68 1.04 -1.26 -5.02 113.70 113.41 3a8p s SER 729 Ca 0.14 -1.41 -0.08 0.00 0.48 0.00 0.00 55.95 55.08 3a8p s SER 729 Cb -0.22 0.76 0.23 0.00 0.10 0.00 0.00 66.02 66.88 3a8p s SER 729 CO -0.05 -1.50 1.88 0.58 0.98 0.00 0.00 173.24 175.12 3a8p h VAL 730 N 2.04 1.15 -0.08 5.02 2.07 -1.97 -0.50 116.25 123.98 3a8p h VAL 730 Ca -0.30 -0.36 -0.00 0.00 0.82 0.00 0.00 66.70 66.85 3a8p h VAL 730 Cb 1.24 0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 31.02 3a8p h VAL 730 CO 0.40 0.19 0.03 0.28 0.02 0.00 0.00 177.57 178.50 3a8p h SER 731 N 1.05 0.11 0.26 0.57 0.02 -1.96 -0.35 113.55 113.26 3a8p h SER 731 Ca 0.32 -0.15 -0.12 0.00 -0.84 0.00 0.00 61.79 61.00 3a8p h SER 731 Cb -0.03 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.47 3a8p h SER 731 CO -0.10 0.24 -0.46 0.77 -1.14 0.00 0.00 176.83 176.14 3a8p h SER 732 N -0.02 0.27 -0.74 3.07 4.64 -1.83 -1.80 113.55 117.14 3a8p h SER 732 Ca 0.03 -0.12 -0.05 0.00 -0.47 0.00 0.00 61.79 61.17 3a8p h SER 732 Cb 0.16 -0.08 -0.03 0.00 -0.31 0.00 0.00 62.40 62.14 3a8p h SER 732 CO -0.00 0.69 0.25 0.15 -0.87 0.00 0.00 176.83 177.05 3a8p h PHE 733 N 0.20 1.18 -0.44 4.77 3.57 -0.89 -0.64 116.94 124.68 3a8p h PHE 733 Ca 0.01 -0.11 -0.05 0.00 3.53 0.00 0.00 57.97 61.36 3a8p h PHE 733 Cb 0.89 -0.34 -0.02 0.00 2.79 0.00 0.00 35.95 39.27 3a8p h PHE 733 CO 0.02 0.92 0.09 1.25 -2.23 0.00 0.00 178.31 178.36 3a8p h HIS 734 N 1.10 0.76 -0.40 0.41 2.76 -0.74 -1.77 115.15 117.27 3a8p h HIS 734 Ca 0.24 -0.10 -0.04 0.00 -2.20 0.00 0.00 60.37 58.27 3a8p h HIS 734 Cb 0.28 -0.21 -0.02 0.00 1.55 0.00 0.00 27.41 29.01 3a8p h HIS 734 CO 0.02 0.71 0.06 0.00 -1.30 0.00 0.00 177.93 177.42 3a8p h ALA 735 N 0.96 1.36 -0.38 5.26 0.00 -0.99 -1.08 119.26 124.38 3a8p h ALA 735 Ca 0.14 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 3a8p h ALA 735 Cb 0.34 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3a8p h ALA 735 CO 0.00 0.45 0.01 1.25 0.00 0.00 0.00 179.25 180.97 3a8p h LEU 736 N 0.59 0.65 -0.70 0.00 5.85 -0.74 -1.44 115.31 119.52 3a8p h LEU 736 Ca 0.13 -0.30 -0.09 0.00 0.84 0.00 0.00 57.88 58.47 3a8p h LEU 736 Cb 0.28 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 3a8p h LEU 736 CO 0.00 0.79 0.05 0.58 -0.34 0.00 0.00 178.44 179.52 3a8p h VAL 737 N 0.49 1.26 -0.21 1.05 2.07 -0.95 -2.69 116.25 117.27 3a8p h VAL 737 Ca 0.11 -1.08 -0.07 0.00 0.82 0.00 0.00 66.70 66.48 3a8p h VAL 737 Cb 0.45 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 3a8p h VAL 737 CO 0.02 0.40 -0.17 0.00 0.02 0.00 0.00 177.57 177.84 3a8p h SER 739 N 0.34 0.00 0.00 0.00 4.64 -0.91 -3.18 113.55 114.43 3a8p h SER 739 Ca 0.06 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.29 3a8p h SER 739 Cb 0.49 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.57 3a8p h SER 739 CO 0.03 0.00 -0.86 0.54 -0.87 0.00 0.00 176.83 175.67 3a8p n ARG 740 N -2.87 0.50 0.00 4.77 1.74 -1.05 -4.72 116.66 115.02 3a8p n ARG 740 Ca -0.01 0.52 0.00 0.00 -0.77 0.00 0.00 57.85 57.59 3a8p n ARG 740 Cb 0.18 -1.69 0.00 0.00 -1.02 0.00 0.00 32.46 29.93 3a8p n ARG 740 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86