#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a8p s GLY 503 N 0.00 1.83 0.25 2.61 0.00 -1.26 -4.99 107.32 105.77 3a8p s GLY 503 Ca 0.00 0.26 -0.30 0.00 0.00 0.00 0.00 44.72 44.68 3a8p s GLY 503 CO 0.00 0.58 1.07 0.54 0.00 0.00 0.00 173.10 175.29 3a8p s VAL 504 N -2.79 3.67 -0.49 1.40 0.11 -1.26 -4.14 120.40 116.90 3a8p s VAL 504 Ca 0.61 1.64 -0.28 0.00 -2.93 0.00 0.00 61.98 61.02 3a8p s VAL 504 Cb -0.16 -4.04 0.03 0.00 -1.53 0.00 0.00 36.38 30.67 3a8p s VAL 504 CO 0.49 0.37 1.10 -0.69 -3.33 0.00 0.00 175.10 173.05 3a8p s VAL 505 N -1.02 4.23 -0.07 2.04 1.01 -1.26 -0.76 120.40 124.58 3a8p s VAL 505 Ca 0.44 1.09 0.01 0.00 0.00 0.00 0.00 61.98 63.52 3a8p s VAL 505 Cb -0.30 -4.59 -0.25 0.00 0.00 0.00 0.00 36.38 31.23 3a8p s VAL 505 CO 0.38 -1.02 0.56 0.03 0.00 0.00 0.00 175.10 175.05 3a8p h ARG 506 N 9.24 0.17 -2.67 2.72 3.08 -1.51 -3.49 114.38 121.92 3a8p h ARG 506 Ca -0.23 -0.29 -0.06 0.00 0.07 0.00 0.00 59.98 59.47 3a8p h ARG 506 Cb 1.06 0.11 -0.16 0.00 0.08 0.00 0.00 29.97 31.06 3a8p h ARG 506 CO 1.12 0.94 0.08 0.21 -1.07 0.00 0.00 179.97 181.24 3a8p s LYS 507 N -2.58 1.06 -0.08 0.04 2.20 -1.24 -5.02 119.74 114.11 3a8p s LYS 507 Ca -0.14 -0.18 -0.14 0.00 -0.36 0.00 0.00 55.97 55.16 3a8p s LYS 507 Cb 0.07 0.49 0.03 0.00 -1.51 0.00 0.00 37.83 36.91 3a8p s LYS 507 CO 0.80 -0.38 0.34 0.00 -0.36 0.00 0.00 175.35 175.75 3a8p s ALA 508 N -2.36 -0.85 0.00 3.13 0.00 -1.26 -1.09 121.76 119.33 3a8p s ALA 508 Ca -0.06 0.69 0.00 0.00 0.00 0.00 0.00 51.96 52.60 3a8p s ALA 508 Cb -0.01 -0.27 0.00 0.00 0.00 0.00 0.00 23.12 22.84 3a8p s ALA 508 CO -0.01 -0.21 0.00 0.41 0.00 0.00 0.00 175.76 175.95 3a8p n GLY 509 N 2.12 0.20 3.72 0.00 0.00 -0.63 -4.99 105.19 105.62 3a8p n GLY 509 Ca -0.17 -0.99 -0.41 0.00 0.00 0.00 0.00 46.02 44.45 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 3.74 -0.07 1.61 0.52 -1.26 -0.50 118.94 120.98 3a8p s TRP 510 Ca 0.00 1.74 -0.11 0.00 0.02 0.00 0.00 56.10 57.75 3a8p s TRP 510 Cb 0.00 -3.11 0.02 0.00 -1.15 0.00 0.00 33.47 29.24 3a8p s TRP 510 CO 0.00 0.01 0.27 -0.51 0.02 0.00 0.00 176.95 176.74 3a8p s LEU 511 N 0.25 0.97 0.07 2.99 1.43 -0.68 -4.59 118.68 119.12 3a8p s LEU 511 Ca 0.49 0.34 -0.15 0.00 -1.03 0.00 0.00 54.13 53.78 3a8p s LEU 511 Cb -0.24 1.02 -0.06 0.00 0.03 0.00 0.00 46.19 46.95 3a8p s LEU 511 CO 0.30 -0.23 0.48 -0.36 0.23 0.00 0.00 176.35 176.77 3a8p s PHE 512 N -0.45 3.70 0.04 0.29 0.08 -1.00 -1.24 117.98 119.40 3a8p s PHE 512 Ca -0.06 1.06 0.04 0.00 0.12 0.00 0.00 56.93 58.09 3a8p s PHE 512 Cb -0.04 -2.34 -0.02 0.00 -0.57 0.00 0.00 43.02 40.05 3a8p s PHE 512 CO 0.02 0.56 -0.12 0.12 -0.10 0.00 0.00 175.22 175.69 3a8p s PHE 513 N -1.23 1.07 -0.29 0.36 5.36 0.19 -1.50 117.98 121.94 3a8p s PHE 513 Ca 0.30 -0.36 -0.05 0.00 -0.96 0.00 0.00 56.93 55.86 3a8p s PHE 513 Cb -0.17 -0.63 0.16 0.00 -0.34 0.00 0.00 43.02 42.04 3a8p s PHE 513 CO 0.17 0.01 0.60 0.21 -1.46 0.00 0.00 175.22 174.75 3a8p s LYS 514 N -1.15 0.55 0.60 10.12 2.20 -0.56 -1.11 119.74 130.38 3a8p s LYS 514 Ca -0.00 1.15 -0.18 0.00 -0.36 0.00 0.00 55.97 56.57 3a8p s LYS 514 Cb -0.08 0.60 -0.03 0.00 -1.51 0.00 0.00 37.83 36.82 3a8p s LYS 514 CO 0.01 -0.45 1.18 -1.25 -0.36 0.00 0.00 175.35 174.48 3a8p s PRO 515 N 2.84 2.95 0.03 4.03 0.04 -1.26 -0.51 135.00 143.11 3a8p s PRO 515 Ca 0.10 1.73 0.00 0.00 0.04 0.00 0.00 61.00 62.87 3a8p s PRO 515 Cb -0.14 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.47 3a8p s PRO 515 CO -0.20 -1.20 0.00 -0.11 0.04 0.00 0.00 177.00 175.53 3a8p n LEU 516 N -1.73 0.16 -4.22 -3.56 7.94 -0.04 -4.71 117.00 110.85 3a8p n LEU 516 Ca 0.13 0.04 -0.20 0.00 -1.11 0.00 0.00 56.01 54.87 3a8p n LEU 516 Cb 0.50 -0.03 -0.12 0.00 0.53 0.00 0.00 43.42 44.30 3a8p n LEU 516 CO 0.45 -0.24 -0.48 -0.69 -1.11 0.00 0.00 177.39 175.32 3a8p s VAL 517 N -2.00 1.35 -0.02 1.96 1.01 -0.65 -0.47 120.40 121.58 3a8p s VAL 517 Ca 0.00 -1.42 -0.09 0.00 0.00 0.00 0.00 61.98 60.47 3a8p s VAL 517 Cb 0.00 -1.28 0.01 0.00 0.00 0.00 0.00 36.38 35.11 3a8p s VAL 517 CO 0.00 -0.18 0.19 0.28 0.00 0.00 0.00 175.10 175.39 3a8p s THR 518 N -1.30 0.06 0.12 3.92 -1.32 -0.76 -1.27 115.64 115.10 3a8p s THR 518 Ca 0.02 -0.47 -0.27 0.00 -1.21 0.00 0.00 61.69 59.76 3a8p s THR 518 Cb -0.10 -0.44 -0.07 0.00 -1.51 0.00 0.00 72.50 70.39 3a8p s THR 518 CO 0.03 -0.26 0.82 -0.22 -2.21 0.00 0.00 174.62 172.79 3a8p s LEU 519 N -0.99 4.53 0.46 9.08 2.96 -1.25 -2.01 118.68 131.46 3a8p s LEU 519 Ca -0.11 1.64 0.04 0.00 -0.22 0.00 0.00 54.13 55.48 3a8p s LEU 519 Cb -0.06 -3.36 -0.04 0.00 0.50 0.00 0.00 46.19 43.23 3a8p s LEU 519 CO 0.02 0.09 0.01 -1.10 -1.32 0.00 0.00 176.35 174.05 3a8p s GLN 520 N -0.55 2.07 0.74 1.98 -1.52 0.81 -4.97 119.66 118.22 3a8p s GLN 520 Ca 0.39 -2.26 -0.16 0.00 -1.95 0.00 0.00 55.36 51.39 3a8p s GLN 520 Cb -0.23 -1.51 -0.01 0.00 -0.22 0.00 0.00 33.01 31.04 3a8p s GLN 520 CO 0.26 -0.23 0.70 0.36 -0.25 0.00 0.00 175.29 176.13 3a8p n LYS 521 N -1.11 0.31 -2.68 2.91 2.85 -1.26 -2.42 118.16 116.76 3a8p n LYS 521 Ca -0.12 0.15 -0.17 0.00 -1.05 0.00 0.00 58.31 57.13 3a8p n LYS 521 Cb 0.67 -1.99 0.02 0.00 -0.65 0.00 0.00 35.03 33.08 3a8p n LYS 521 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 3a8p n GLU 522 N -1.30 -3.03 -4.09 -1.58 -0.58 -1.26 -3.21 120.64 105.59 3a8p n GLU 522 Ca 0.11 0.71 -0.28 0.00 -0.42 0.00 0.00 57.16 57.28 3a8p n GLU 522 Cb 0.50 -5.09 -0.08 0.00 -0.57 0.00 0.00 31.44 26.19 3a8p n GLU 522 CO 0.00 0.00 0.00 2.89 -0.48 0.00 0.00 177.13 179.54 3a8p n ARG 523 N -3.02 -0.90 -4.53 3.49 1.85 -1.02 -4.93 116.66 107.60 3a8p n ARG 523 Ca -0.11 0.07 -0.33 0.00 -1.00 0.00 0.00 57.85 56.47 3a8p n ARG 523 Cb 0.61 -3.05 -0.13 0.00 -1.05 0.00 0.00 32.46 28.84 3a8p n ARG 523 CO 0.00 0.00 0.00 -1.59 -0.01 0.00 0.00 177.63 176.03 3a8p s LYS 524 N -6.86 3.54 0.08 2.89 -2.85 -1.02 -4.91 119.74 110.61 3a8p s LYS 524 Ca 0.03 -0.57 -0.21 0.00 -1.00 0.00 0.00 55.97 54.22 3a8p s LYS 524 Cb -0.02 -2.81 -0.07 0.00 -2.06 0.00 0.00 37.83 32.87 3a8p s LYS 524 CO 0.87 0.26 0.64 -0.51 0.10 0.00 0.00 175.35 176.71 3a8p s LEU 525 N 0.29 4.52 -0.08 2.77 1.43 -1.26 -0.13 118.68 126.22 3a8p s LEU 525 Ca -0.05 1.35 -0.10 0.00 -1.03 0.00 0.00 54.13 54.30 3a8p s LEU 525 Cb -0.15 -3.02 0.02 0.00 0.03 0.00 0.00 46.19 43.08 3a8p s LEU 525 CO 0.04 0.21 0.26 -1.61 0.23 0.00 0.00 176.35 175.48 3a8p s GLU 526 N -0.88 0.36 0.71 1.70 2.02 -0.85 -4.89 118.70 116.86 3a8p s GLU 526 Ca 0.32 0.25 -0.15 0.00 0.02 0.00 0.00 54.97 55.40 3a8p s GLU 526 Cb -0.20 0.17 0.03 0.00 0.10 0.00 0.00 34.13 34.23 3a8p s GLU 526 CO 0.21 -0.06 1.16 -0.51 0.02 0.00 0.00 175.26 176.08 3a8p s LEU 527 N -0.14 3.32 -0.75 1.80 1.43 -1.26 -1.83 118.68 121.26 3a8p s LEU 527 Ca -0.03 2.20 -0.21 0.00 -1.03 0.00 0.00 54.13 55.06 3a8p s LEU 527 Cb -0.03 -4.57 0.10 0.00 0.03 0.00 0.00 46.19 41.72 3a8p s LEU 527 CO 0.01 -2.04 0.98 -0.69 0.23 0.00 0.00 176.35 174.84 3a8p s VAL 528 N -2.17 4.55 0.23 -1.59 1.01 0.38 -4.84 120.40 117.97 3a8p s VAL 528 Ca 0.71 -0.91 -0.13 0.00 0.00 0.00 0.00 61.98 61.65 3a8p s VAL 528 Cb -0.25 -4.69 0.28 0.00 0.00 0.00 0.00 36.38 31.72 3a8p s VAL 528 CO 0.44 -1.43 1.61 0.00 0.00 0.00 0.00 175.10 175.73 3a8p h ALA 529 N 9.24 0.44 -0.29 5.51 0.00 -1.92 -1.38 119.26 130.86 3a8p h ALA 529 Ca -0.13 0.27 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3a8p h ALA 529 Cb 1.06 0.58 0.00 0.00 0.00 0.00 0.00 17.79 19.42 3a8p h ALA 529 CO 1.14 -0.44 0.00 2.89 0.00 0.00 0.00 179.25 182.84 3a8p n ARG 530 N -5.48 2.83 -1.63 0.00 0.00 -1.26 -4.97 116.66 106.15 3a8p n ARG 530 Ca 0.09 -1.52 -0.45 0.00 -0.00 0.00 0.00 57.85 55.97 3a8p n ARG 530 Cb 0.37 -1.83 -0.02 0.00 -0.00 0.00 0.00 32.46 30.98 3a8p n ARG 530 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.63 180.52 3a8p n ARG 531 N 0.33 1.64 -3.72 2.89 1.85 -0.52 -4.99 116.66 114.14 3a8p n ARG 531 Ca 0.13 0.58 -0.14 0.00 -1.00 0.00 0.00 57.85 57.42 3a8p n ARG 531 Cb 0.68 -2.07 -0.09 0.00 -1.05 0.00 0.00 32.46 29.93 3a8p n ARG 531 CO 0.00 0.00 0.00 0.21 -0.01 0.00 0.00 177.63 177.83 3a8p s LYS 532 N -1.27 0.61 0.25 2.89 2.20 -1.26 -5.04 119.74 118.12 3a8p s LYS 532 Ca 0.61 0.34 -0.30 0.00 -0.36 0.00 0.00 55.97 56.27 3a8p s LYS 532 Cb -0.68 0.29 -0.09 0.00 -1.51 0.00 0.00 37.83 35.83 3a8p s LYS 532 CO 0.58 -0.12 1.30 -1.58 -0.36 0.00 0.00 175.35 175.16 3a8p s TRP 533 N -0.36 3.21 -0.10 4.03 0.52 -1.26 -4.41 118.94 120.56 3a8p s TRP 533 Ca -0.05 1.31 -0.08 0.00 0.02 0.00 0.00 56.10 57.30 3a8p s TRP 533 Cb -0.03 -3.61 0.03 0.00 -1.15 0.00 0.00 33.47 28.70 3a8p s TRP 533 CO 0.03 -1.81 0.26 0.15 0.02 0.00 0.00 176.95 175.60 3a8p s LYS 534 N -0.78 0.29 0.25 4.98 1.02 -0.27 -4.92 119.74 120.31 3a8p s LYS 534 Ca 0.53 0.41 -0.15 0.00 0.02 0.00 0.00 55.97 56.78 3a8p s LYS 534 Cb -0.37 0.09 -0.08 0.00 -0.52 0.00 0.00 37.83 36.95 3a8p s LYS 534 CO 0.43 -0.06 0.67 -1.14 -0.92 0.00 0.00 175.35 174.33 3a8p s GLN 535 N 0.39 4.04 0.14 1.68 0.74 -1.26 0.56 119.66 125.94 3a8p s GLN 535 Ca -0.02 0.63 -0.17 0.00 0.05 0.00 0.00 55.36 55.86 3a8p s GLN 535 Cb -0.04 -2.67 0.04 0.00 1.10 0.00 0.00 33.01 31.44 3a8p s GLN 535 CO -0.02 0.30 0.43 0.71 -0.55 0.00 0.00 175.29 176.16 3a8p s TYR 536 N -1.75 -0.21 -0.41 1.67 2.02 -0.37 -4.93 117.35 113.37 3a8p s TYR 536 Ca 0.47 -0.10 -0.17 0.00 -0.37 0.00 0.00 57.07 56.90 3a8p s TYR 536 Cb -0.13 0.29 0.02 0.00 -0.40 0.00 0.00 41.96 41.74 3a8p s TYR 536 CO 0.19 -0.73 0.43 -0.46 -1.57 0.00 0.00 175.55 173.41 3a8p s TRP 537 N -3.81 3.17 -0.16 2.71 -0.11 -0.21 -1.68 118.94 118.85 3a8p s TRP 537 Ca 0.04 -0.33 -0.07 0.00 1.22 0.00 0.00 56.10 56.95 3a8p s TRP 537 Cb 0.01 -2.88 -0.04 0.00 -1.50 0.00 0.00 33.47 29.06 3a8p s TRP 537 CO -0.11 -0.68 0.09 0.08 -4.62 0.00 0.00 176.95 171.71 3a8p s VAL 538 N 2.14 5.02 -0.06 5.86 1.01 0.34 -0.93 120.40 133.77 3a8p s VAL 538 Ca 0.12 0.04 0.04 0.00 0.00 0.00 0.00 61.98 62.18 3a8p s VAL 538 Cb -0.17 -3.23 0.00 0.00 0.00 0.00 0.00 36.38 32.98 3a8p s VAL 538 CO 0.13 0.51 -0.17 -0.89 0.00 0.00 0.00 175.10 174.69 3a8p s THR 539 N -0.11 1.47 -0.41 3.92 2.01 0.18 -1.60 115.64 121.11 3a8p s THR 539 Ca 0.08 -0.70 -0.16 0.00 0.31 0.00 0.00 61.69 61.22 3a8p s THR 539 Cb -0.12 -1.29 0.02 0.00 0.01 0.00 0.00 72.50 71.12 3a8p s THR 539 CO 0.01 0.43 0.34 -0.22 -0.69 0.00 0.00 174.62 174.48 3a8p s LEU 540 N 0.33 4.99 -0.25 4.42 2.96 -0.25 0.80 118.68 131.68 3a8p s LEU 540 Ca -0.11 -0.80 0.01 0.00 -0.22 0.00 0.00 54.13 53.01 3a8p s LEU 540 Cb -0.15 -2.23 0.05 0.00 0.50 0.00 0.00 46.19 44.36 3a8p s LEU 540 CO 0.04 -0.48 -0.10 -0.75 -1.32 0.00 0.00 176.35 173.75 3a8p s LYS 541 N 1.82 2.48 7.49 1.98 2.20 0.36 -1.20 119.74 134.88 3a8p s LYS 541 Ca 0.07 -1.20 0.00 0.00 -0.36 0.00 0.00 55.97 54.49 3a8p s LYS 541 Cb -0.18 -2.91 0.00 0.00 -1.51 0.00 0.00 37.83 33.23 3a8p s LYS 541 CO 0.11 -0.50 0.00 0.41 -0.36 0.00 0.00 175.35 175.01 3a8p n GLY 542 N 4.53 2.77 1.73 5.54 0.00 0.06 -1.27 105.19 118.55 3a8p n GLY 542 Ca -0.15 -0.25 -0.12 0.00 0.00 0.00 0.00 46.02 45.49 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 -3.21 1.83 -0.31 0.00 2.01 -0.40 -0.45 115.64 115.11 3a8p s THR 544 Ca 0.51 -0.92 -0.13 0.00 0.31 0.00 0.00 61.69 61.47 3a8p s THR 544 Cb 0.44 -1.57 -0.03 0.00 0.01 0.00 0.00 72.50 71.35 3a8p s THR 544 CO 0.07 0.51 0.26 -0.76 -0.69 0.00 0.00 174.62 174.02 3a8p s LEU 545 N 0.12 4.26 -0.14 4.42 1.43 0.47 -0.49 118.68 128.74 3a8p s LEU 545 Ca -0.09 -0.13 -0.11 0.00 -1.03 0.00 0.00 54.13 52.76 3a8p s LEU 545 Cb -0.15 -2.21 -0.05 0.00 0.03 0.00 0.00 46.19 43.81 3a8p s LEU 545 CO 0.05 -0.18 0.23 -0.76 0.23 0.00 0.00 176.35 175.92 3a8p s LEU 546 N 1.84 4.29 -0.21 1.79 1.43 0.24 -0.69 118.68 127.38 3a8p s LEU 546 Ca 0.09 0.48 -0.05 0.00 -1.03 0.00 0.00 54.13 53.61 3a8p s LEU 546 Cb -0.16 -2.25 -0.02 0.00 0.03 0.00 0.00 46.19 43.78 3a8p s LEU 546 CO 0.11 0.22 -0.00 -0.36 0.23 0.00 0.00 176.35 176.55 3a8p s PHE 547 N -0.09 3.03 -0.02 0.29 0.08 -0.82 -0.64 117.98 119.80 3a8p s PHE 547 Ca 0.15 -0.53 0.06 0.00 0.12 0.00 0.00 56.93 56.73 3a8p s PHE 547 Cb -0.13 -2.10 -0.02 0.00 -0.57 0.00 0.00 43.02 40.20 3a8p s PHE 547 CO 0.03 -0.29 -0.20 0.71 -0.10 0.00 0.00 175.22 175.37 3a8p s TYR 548 N 1.11 2.51 -0.19 0.36 2.02 -0.11 0.22 117.35 123.27 3a8p s TYR 548 Ca 0.02 -0.30 0.17 0.00 -0.37 0.00 0.00 57.07 56.60 3a8p s TYR 548 Cb -0.14 -1.54 0.03 0.00 -0.40 0.00 0.00 41.96 39.90 3a8p s TYR 548 CO 0.01 0.10 1.23 1.05 -1.57 0.00 0.00 175.55 176.37 3a8p h GLU 549 N 5.28 0.00 -6.53 -0.62 4.11 -1.91 -0.53 114.58 114.37 3a8p h GLU 549 Ca -0.45 0.00 -0.44 0.00 0.07 0.00 0.00 59.36 58.54 3a8p h GLU 549 Cb 1.14 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.41 3a8p h GLU 549 CO 0.48 0.32 -0.21 -2.14 0.07 0.00 0.00 179.01 177.53 3a8p s PRO 562 N -3.03 2.96 0.05 1.06 0.02 -1.26 -4.56 135.00 130.24 3a8p s PRO 562 Ca 0.02 -0.86 -0.06 0.00 0.02 0.00 0.00 61.00 60.12 3a8p s PRO 562 Cb 0.08 -2.68 -0.29 0.00 0.02 0.00 0.00 34.50 31.62 3a8p s PRO 562 CO 0.76 -0.21 1.04 -0.09 -0.33 0.00 0.00 177.00 178.16 3a8p h ARG 563 N 0.58 0.31 -2.96 5.54 2.43 -0.61 -3.48 114.38 116.19 3a8p h ARG 563 Ca -0.44 -0.52 -0.00 0.00 -0.81 0.00 0.00 59.98 58.20 3a8p h ARG 563 Cb 1.27 0.20 -0.11 0.00 -0.42 0.00 0.00 29.97 30.90 3a8p h ARG 563 CO 0.53 1.23 0.23 0.00 -1.51 0.00 0.00 179.97 180.44 3a8p s ALA 565 N -3.73 1.53 -0.26 0.00 0.00 -1.26 -1.95 121.76 116.09 3a8p s ALA 565 Ca 0.02 -0.73 0.01 0.00 0.00 0.00 0.00 51.96 51.27 3a8p s ALA 565 Cb -0.01 -0.47 0.05 0.00 0.00 0.00 0.00 23.12 22.69 3a8p s ALA 565 CO -0.11 0.31 -0.08 -1.17 0.00 0.00 0.00 175.76 174.71 3a8p s LEU 566 N -0.12 3.45 -0.37 0.00 2.96 0.13 -4.97 118.68 119.76 3a8p s LEU 566 Ca -0.00 -1.24 -0.29 0.00 -0.22 0.00 0.00 54.13 52.38 3a8p s LEU 566 Cb -0.10 -1.60 0.01 0.00 0.50 0.00 0.00 46.19 44.99 3a8p s LEU 566 CO 0.01 -0.19 1.35 -0.36 -1.32 0.00 0.00 176.35 175.84 3a8p s PHE 567 N 1.18 2.54 -1.16 5.38 0.08 -1.26 -0.39 117.98 124.35 3a8p s PHE 567 Ca -0.06 0.75 0.15 0.00 0.12 0.00 0.00 56.93 57.89 3a8p s PHE 567 Cb -0.19 -4.16 0.60 0.00 -0.57 0.00 0.00 43.02 38.70 3a8p s PHE 567 CO -0.04 -1.82 1.48 0.00 -0.10 0.00 0.00 175.22 174.73 3a8p n ALA 568 N 8.27 3.04 -1.64 5.36 0.00 0.40 -4.86 120.51 131.08 3a8p n ALA 568 Ca 0.15 -1.31 -0.46 0.00 0.00 0.00 0.00 53.44 51.83 3a8p n ALA 568 Cb 0.47 -1.03 -0.03 0.00 0.00 0.00 0.00 19.45 18.86 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 0.86 1.79 -2.98 0.00 2.13 -1.24 -2.16 120.64 119.04 3a8p n GLU 569 Ca 0.21 0.64 -0.22 0.00 0.66 0.00 0.00 57.16 58.46 3a8p n GLU 569 Cb 0.77 -2.26 0.02 0.00 0.27 0.00 0.00 31.44 30.24 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 2.20 -5.40 -4.92 4.31 8.00 -1.26 -3.75 116.55 115.73 3a8p n ASP 570 Ca 0.13 -0.24 -0.26 0.00 0.71 0.00 0.00 54.79 55.13 3a8p n ASP 570 Cb 0.29 -4.41 0.04 0.00 -0.02 0.00 0.00 41.12 37.02 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 -2.58 5.44 -0.04 -2.24 0.01 -0.92 -4.29 113.70 109.07 3a8p s SER 571 Ca 0.27 0.61 0.04 0.00 1.31 0.00 0.00 55.95 58.18 3a8p s SER 571 Cb -0.13 -1.54 -0.00 0.00 0.21 0.00 0.00 66.02 64.56 3a8p s SER 571 CO 0.33 -1.15 -0.17 -0.63 0.41 0.00 0.00 173.24 172.03 3a8p s ILE 572 N -3.01 1.38 -0.09 1.44 1.01 -0.77 -4.94 121.20 116.22 3a8p s ILE 572 Ca 0.55 -0.69 0.04 0.00 0.00 0.00 0.00 60.65 60.55 3a8p s ILE 572 Cb -0.11 -1.19 -0.00 0.00 0.01 0.00 0.00 42.46 41.17 3a8p s ILE 572 CO 0.44 0.40 -0.24 -0.69 0.00 0.00 0.00 174.94 174.85 3a8p s VAL 573 N 0.03 2.03 -0.01 2.92 1.01 -1.26 -1.55 120.40 123.57 3a8p s VAL 573 Ca -0.03 -1.01 0.03 0.00 0.00 0.00 0.00 61.98 60.96 3a8p s VAL 573 Cb -0.11 -1.75 -0.01 0.00 0.00 0.00 0.00 36.38 34.51 3a8p s VAL 573 CO 0.02 0.56 -0.10 -1.10 0.00 0.00 0.00 175.10 174.48 3a8p s GLN 574 N 0.25 0.81 0.56 2.72 -1.52 0.28 -4.96 119.66 117.78 3a8p s GLN 574 Ca -0.16 -0.35 -0.16 0.00 -1.95 0.00 0.00 55.36 52.74 3a8p s GLN 574 Cb -0.17 -0.78 -0.06 0.00 -0.22 0.00 0.00 33.01 31.78 3a8p s GLN 574 CO 0.08 0.21 1.03 -1.54 -0.25 0.00 0.00 175.29 174.81 3a8p s SER 575 N -0.22 6.16 -0.50 5.90 1.04 -1.26 0.91 113.70 125.72 3a8p s SER 575 Ca 0.04 1.72 0.08 0.00 0.48 0.00 0.00 55.95 58.26 3a8p s SER 575 Cb -0.04 -2.52 0.30 0.00 0.10 0.00 0.00 66.02 63.86 3a8p s SER 575 CO -0.00 -0.91 0.76 0.52 0.98 0.00 0.00 173.24 174.59 3a8p n VAL 576 N -1.80 1.33 0.31 5.02 0.31 0.84 -4.78 118.33 119.55 3a8p n VAL 576 Ca 0.08 -4.93 0.17 0.00 -0.01 0.00 0.00 64.34 59.65 3a8p n VAL 576 Cb 0.53 -1.41 0.98 0.00 -0.91 0.00 0.00 33.84 33.03 3a8p n VAL 576 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 3a8p h PRO 577 N 3.49 0.00 0.00 5.55 0.13 -1.94 -2.08 132.00 137.15 3a8p h PRO 577 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 3a8p h PRO 577 Cb 0.73 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.86 3a8p h PRO 577 CO 0.67 0.01 0.00 -0.85 -0.23 0.00 0.00 178.00 177.60 3a8p n GLU 578 N -3.67 0.03 -1.66 0.86 0.00 -1.26 -4.84 120.64 110.09 3a8p n GLU 578 Ca -0.03 0.19 -0.58 0.00 0.00 0.00 0.00 57.16 56.74 3a8p n GLU 578 Cb 0.09 -1.54 -0.07 0.00 0.00 0.00 0.00 31.44 29.91 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 -1.59 1.72 -0.17 -1.84 -0.00 -0.78 -4.84 115.22 107.71 3a8p n HIS 579 Ca 0.05 0.71 -0.01 0.00 0.46 0.00 0.00 57.72 58.92 3a8p n HIS 579 Cb 0.24 -2.35 0.07 0.00 -0.12 0.00 0.00 29.99 27.83 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 5.72 0.15 0.00 1.57 0.11 -1.92 -3.33 132.00 134.30 3a8p h PRO 580 Ca -0.47 -0.01 -0.13 0.00 0.11 0.00 0.00 66.00 65.50 3a8p h PRO 580 Cb 1.34 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.39 3a8p h PRO 580 CO 0.88 0.10 -2.01 1.63 -0.21 0.00 0.00 178.00 178.40 3a8p n LYS 581 N -5.20 0.80 -4.29 1.05 5.02 -1.26 -5.03 118.16 109.24 3a8p n LYS 581 Ca 0.07 -0.11 -0.19 0.00 -2.02 0.00 0.00 58.31 56.06 3a8p n LYS 581 Cb 0.29 -1.45 -0.11 0.00 -0.02 0.00 0.00 35.03 33.74 3a8p n LYS 581 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 3a8p s LYS 582 N -2.96 1.17 0.32 1.97 0.00 -1.25 -5.15 119.74 113.84 3a8p s LYS 582 Ca -0.08 -1.39 0.07 0.00 0.00 0.00 0.00 55.97 54.57 3a8p s LYS 582 Cb 0.09 -1.05 -0.02 0.00 0.00 0.00 0.00 37.83 36.86 3a8p s LYS 582 CO 0.76 0.19 0.41 -1.21 0.00 0.00 0.00 175.35 175.51 3a8p s GLU 583 N -3.05 3.07 -1.52 1.78 2.02 -1.26 -4.56 118.70 115.19 3a8p s GLU 583 Ca 0.15 -1.04 -0.00 0.00 0.02 0.00 0.00 54.97 54.09 3a8p s GLU 583 Cb -0.03 -2.75 0.00 0.00 0.10 0.00 0.00 34.13 31.45 3a8p s GLU 583 CO 0.05 0.13 0.06 0.72 0.02 0.00 0.00 175.26 176.23 3a8p n HIS 584 N -1.54 -0.95 -3.18 1.61 8.25 -1.26 -4.70 115.22 113.44 3a8p n HIS 584 Ca -0.02 0.05 -0.39 0.00 -0.26 0.00 0.00 57.72 57.10 3a8p n HIS 584 Cb 0.58 -3.62 -0.06 0.00 1.12 0.00 0.00 29.99 28.02 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 -2.92 4.80 0.08 1.59 1.01 -1.26 -0.64 120.40 123.06 3a8p s VAL 585 Ca 0.03 1.31 0.03 0.00 0.00 0.00 0.00 61.98 63.35 3a8p s VAL 585 Cb -0.01 -3.96 -0.03 0.00 0.00 0.00 0.00 36.38 32.38 3a8p s VAL 585 CO 0.04 0.46 -0.09 0.72 0.00 0.00 0.00 175.10 176.22 3a8p s PHE 586 N -0.50 0.96 -0.09 5.22 -0.71 0.50 -0.11 117.98 123.25 3a8p s PHE 586 Ca 0.32 -0.63 0.04 0.00 -1.04 0.00 0.00 56.93 55.61 3a8p s PHE 586 Cb -0.19 -0.54 -0.00 0.00 -1.21 0.00 0.00 43.02 41.08 3a8p s PHE 586 CO 0.19 -0.04 -0.23 0.00 -1.34 0.00 0.00 175.22 173.80 3a8p s LEU 588 N 0.29 2.81 -0.16 0.00 0.20 -0.50 -0.56 118.68 120.76 3a8p s LEU 588 Ca -0.16 -0.29 0.02 0.00 0.69 0.00 0.00 54.13 54.39 3a8p s LEU 588 Cb -0.17 -1.64 0.02 0.00 -0.43 0.00 0.00 46.19 43.96 3a8p s LEU 588 CO 0.08 0.17 -0.20 -0.94 -0.29 0.00 0.00 176.35 175.17 3a8p s SER 589 N 0.34 3.01 0.62 3.68 1.04 -0.60 -0.46 113.70 121.33 3a8p s SER 589 Ca -0.10 -0.59 -0.01 0.00 0.48 0.00 0.00 55.95 55.73 3a8p s SER 589 Cb -0.16 -1.40 0.08 0.00 0.10 0.00 0.00 66.02 64.64 3a8p s SER 589 CO 0.05 0.02 0.51 -0.46 0.98 0.00 0.00 173.24 174.35 3a8p n ASN 590 N 4.41 0.59 -0.27 7.02 0.23 -0.79 -1.85 115.26 124.58 3a8p n ASN 590 Ca -0.20 -1.52 0.15 0.00 -0.53 0.00 0.00 54.58 52.48 3a8p n ASN 590 Cb 0.51 -0.34 0.66 0.00 -2.08 0.00 0.00 39.78 38.53 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 0.88 -0.11 0.53 3.41 -1.25 -3.55 113.62 110.53 3a8p n SER 591 Ca 0.08 -1.20 0.12 0.00 -0.26 0.00 0.00 58.87 57.61 3a8p n SER 591 Cb 0.29 -0.00 0.29 0.00 -0.26 0.00 0.00 64.21 64.53 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 1.43 0.83 3.94 0.00 0.00 -1.23 -4.68 105.19 105.48 3a8p n GLY 593 Ca 0.08 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.86 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 6.34 -0.03 1.61 1.01 -1.26 -3.76 116.67 118.26 3a8p s ASP 594 Ca 0.00 0.28 0.00 0.00 0.71 0.00 0.00 52.55 53.55 3a8p s ASP 594 Cb 0.00 -1.96 0.03 0.00 1.01 0.00 0.00 42.92 42.00 3a8p s ASP 594 CO 0.00 -0.08 -0.01 -0.69 0.21 0.00 0.00 175.17 174.60 3a8p s VAL 595 N -1.96 0.25 0.20 -1.27 1.01 -0.39 -1.89 120.40 116.34 3a8p s VAL 595 Ca 0.37 0.04 0.09 0.00 0.00 0.00 0.00 61.98 62.48 3a8p s VAL 595 Cb -0.10 -0.34 -0.04 0.00 0.00 0.00 0.00 36.38 35.90 3a8p s VAL 595 CO 0.30 0.16 -0.17 -0.31 0.00 0.00 0.00 175.10 175.09 3a8p s TYR 596 N 1.02 1.85 0.04 5.22 2.02 0.39 -0.86 117.35 127.03 3a8p s TYR 596 Ca -0.10 -0.49 0.07 0.00 -0.37 0.00 0.00 57.07 56.18 3a8p s TYR 596 Cb -0.14 -0.88 -0.03 0.00 -0.40 0.00 0.00 41.96 40.52 3a8p s TYR 596 CO -0.01 0.40 -0.19 -0.51 -1.57 0.00 0.00 175.55 173.67 3a8p s LEU 597 N -3.06 2.57 0.06 -1.29 1.43 0.33 -1.41 118.68 117.31 3a8p s LEU 597 Ca 0.21 -0.44 0.01 0.00 -1.03 0.00 0.00 54.13 52.88 3a8p s LEU 597 Cb -0.04 -1.50 -0.03 0.00 0.03 0.00 0.00 46.19 44.65 3a8p s LEU 597 CO 0.08 0.26 -0.06 -0.36 0.23 0.00 0.00 176.35 176.50 3a8p s PHE 598 N -0.91 0.66 -0.10 0.29 0.08 0.28 -1.50 117.98 116.78 3a8p s PHE 598 Ca 0.14 -0.79 -0.01 0.00 0.12 0.00 0.00 56.93 56.40 3a8p s PHE 598 Cb -0.10 -0.41 0.03 0.00 -0.57 0.00 0.00 43.02 41.96 3a8p s PHE 598 CO 0.05 -0.19 -0.05 -1.14 -0.10 0.00 0.00 175.22 173.79 3a8p s GLN 599 N -2.93 1.21 0.81 0.44 0.74 -0.56 -0.37 119.66 119.00 3a8p s GLN 599 Ca 0.01 -0.13 -0.07 0.00 0.05 0.00 0.00 55.36 55.22 3a8p s GLN 599 Cb -0.00 -1.36 0.15 0.00 1.10 0.00 0.00 33.01 32.89 3a8p s GLN 599 CO -0.04 -0.27 1.12 0.00 -0.55 0.00 0.00 175.29 175.55 3a8p s ALA 600 N 1.77 3.08 -0.58 1.58 0.00 0.18 -2.36 121.76 125.43 3a8p s ALA 600 Ca 0.04 -1.43 0.24 0.00 0.00 0.00 0.00 51.96 50.82 3a8p s ALA 600 Cb -0.13 -2.37 0.43 0.00 0.00 0.00 0.00 23.12 21.06 3a8p s ALA 600 CO -0.07 -1.81 1.46 1.79 0.00 0.00 0.00 175.76 177.13 3a8p h THR 601 N -0.96 0.00 -2.66 0.00 1.35 -1.87 -3.45 112.91 105.31 3a8p h THR 601 Ca -0.40 -0.64 0.11 0.00 -0.55 0.00 0.00 66.41 64.92 3a8p h THR 601 Cb 1.26 1.40 -0.03 0.00 -1.73 0.00 0.00 68.15 69.05 3a8p h THR 601 CO 0.42 0.00 0.46 -0.94 -0.25 0.00 0.00 175.52 175.21 3a8p s SER 602 N -4.79 -0.04 0.25 5.36 1.04 -1.26 -4.98 113.70 109.28 3a8p s SER 602 Ca 0.07 -0.76 -0.00 0.00 0.48 0.00 0.00 55.95 55.73 3a8p s SER 602 Cb 0.11 0.61 0.30 0.00 0.10 0.00 0.00 66.02 67.14 3a8p s SER 602 CO 0.69 -1.20 1.66 -0.61 0.98 0.00 0.00 173.24 174.76 3a8p h GLN 603 N 2.00 0.57 -0.45 4.02 5.75 -1.95 -0.96 115.11 124.09 3a8p h GLN 603 Ca -0.28 -0.24 -0.14 0.00 -0.15 0.00 0.00 58.65 57.84 3a8p h GLN 603 Cb 1.23 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 29.75 3a8p h GLN 603 CO 0.35 0.80 -0.27 1.15 -2.65 0.00 0.00 178.83 178.21 3a8p h THR 604 N 0.49 1.27 -0.59 2.39 2.02 -1.99 -1.52 112.91 114.98 3a8p h THR 604 Ca 0.06 -1.43 -0.04 0.00 0.77 0.00 0.00 66.41 65.77 3a8p h THR 604 Cb 0.76 1.22 -0.03 0.00 -1.74 0.00 0.00 68.15 68.36 3a8p h THR 604 CO 0.06 0.49 0.21 -0.78 0.37 0.00 0.00 175.52 175.87 3a8p h ASP 605 N 0.81 0.84 0.12 4.18 3.58 -1.88 -0.22 116.42 123.85 3a8p h ASP 605 Ca 0.09 -0.19 -0.01 0.00 0.42 0.00 0.00 57.03 57.35 3a8p h ASP 605 Cb 0.85 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 41.69 3a8p h ASP 605 CO 0.08 0.80 -0.06 0.25 -2.88 0.00 0.00 179.24 177.43 3a8p h LEU 606 N 0.83 -0.13 -1.49 2.28 6.46 -1.06 -1.10 115.31 121.10 3a8p h LEU 606 Ca 0.19 0.00 0.05 0.00 -0.12 0.00 0.00 57.88 58.01 3a8p h LEU 606 Cb 0.24 0.03 -0.04 0.00 -0.73 0.00 0.00 40.66 40.17 3a8p h LEU 606 CO -0.01 -0.09 0.41 -0.33 -0.62 0.00 0.00 178.44 177.79 3a8p h GLU 607 N -0.16 0.61 -0.30 1.25 5.08 -0.93 -0.43 114.58 119.71 3a8p h GLU 607 Ca -0.02 -0.04 -0.14 0.00 -1.00 0.00 0.00 59.36 58.17 3a8p h GLU 607 Cb 0.12 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 3a8p h GLU 607 CO 0.03 0.41 -0.37 -0.91 -1.00 0.00 0.00 179.01 177.16 3a8p h ASN 608 N 0.63 0.73 -0.31 1.42 2.35 -0.56 -1.99 115.58 117.86 3a8p h ASN 608 Ca 0.26 -0.32 -0.14 0.00 -0.55 0.00 0.00 56.30 55.55 3a8p h ASN 608 Cb 0.23 -0.20 -0.00 0.00 0.05 0.00 0.00 38.32 38.39 3a8p h ASN 608 CO -0.08 1.03 -0.37 -0.50 -1.65 0.00 0.00 177.43 175.86 3a8p h TRP 609 N 0.58 0.97 -0.28 1.19 4.06 -0.05 -1.00 115.95 121.42 3a8p h TRP 609 Ca 0.05 -0.31 -0.00 0.00 2.06 0.00 0.00 58.89 60.69 3a8p h TRP 609 Cb 0.89 -0.20 -0.01 0.00 -1.00 0.00 0.00 29.16 28.84 3a8p h TRP 609 CO 0.04 1.10 0.16 0.28 -3.56 0.00 0.00 178.44 176.46 3a8p h VAL 610 N 0.56 1.12 -0.08 1.49 2.07 -1.09 -0.99 116.25 119.34 3a8p h VAL 610 Ca 0.04 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.27 3a8p h VAL 610 Cb 0.96 0.79 -0.00 0.00 -1.52 0.00 0.00 31.29 31.52 3a8p h VAL 610 CO 0.09 0.11 0.05 0.74 0.02 0.00 0.00 177.57 178.58 3a8p h THR 611 N 0.35 1.03 -0.33 2.57 2.02 -1.33 -1.15 112.91 116.07 3a8p h THR 611 Ca 0.10 -0.08 -0.00 0.00 0.77 0.00 0.00 66.41 67.19 3a8p h THR 611 Cb 0.04 0.95 -0.02 0.00 -1.74 0.00 0.00 68.15 67.39 3a8p h THR 611 CO -0.02 0.03 0.19 0.00 0.37 0.00 0.00 175.52 176.09 3a8p h ALA 612 N 1.01 0.42 -0.12 6.16 0.00 -1.04 0.26 119.26 125.95 3a8p h ALA 612 Ca 0.03 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3a8p h ALA 612 Cb 0.01 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3a8p h ALA 612 CO -0.01 -0.07 0.04 0.82 0.00 0.00 0.00 179.25 180.04 3a8p h ILE 613 N 0.41 1.17 -0.86 0.00 2.04 -1.12 -0.71 117.51 118.44 3a8p h ILE 613 Ca 0.12 -0.51 0.00 0.00 1.00 0.00 0.00 64.86 65.47 3a8p h ILE 613 Cb 0.04 1.28 -0.04 0.00 -0.74 0.00 0.00 36.82 37.36 3a8p h ILE 613 CO -0.02 0.15 0.55 0.45 0.00 0.00 0.00 178.15 179.28 3a8p h HIS 614 N 0.02 1.10 -0.75 1.37 3.86 -1.13 -0.44 115.15 119.18 3a8p h HIS 614 Ca 0.04 0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 59.23 3a8p h HIS 614 Cb 0.20 -0.37 -0.03 0.00 1.06 0.00 0.00 27.41 28.27 3a8p h HIS 614 CO -0.01 0.71 0.36 0.77 0.86 0.00 0.00 177.93 180.63 3a8p h SER 615 N 1.17 0.98 -0.50 2.45 0.02 -0.74 0.11 113.55 117.04 3a8p h SER 615 Ca 0.31 -0.13 -0.09 0.00 -0.84 0.00 0.00 61.79 61.04 3a8p h SER 615 Cb -0.10 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.17 3a8p h SER 615 CO -0.06 0.84 -0.02 0.00 -1.14 0.00 0.00 176.83 176.45 3a8p h ALA 616 N 1.18 0.94 -0.38 3.77 0.00 -0.61 -1.66 119.26 122.50 3a8p h ALA 616 Ca 0.26 -0.30 -0.13 0.00 0.00 0.00 0.00 54.91 54.73 3a8p h ALA 616 Cb 0.12 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3a8p h ALA 616 CO -0.03 0.63 -0.28 0.00 0.00 0.00 0.00 179.25 179.57 3a8p h ALA 618 N 0.78 0.94 -0.24 0.00 0.00 -0.62 0.52 119.26 120.64 3a8p h ALA 618 Ca 0.07 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3a8p h ALA 618 Cb 0.86 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 3a8p h ALA 618 CO 0.07 0.49 0.13 1.03 0.00 0.00 0.00 179.25 180.98 3a8p h SER 619 N 1.02 0.31 -0.70 0.00 0.87 -1.25 -0.51 113.55 113.29 3a8p h SER 619 Ca 0.25 -0.09 -0.06 0.00 -1.23 0.00 0.00 61.79 60.66 3a8p h SER 619 Cb 0.09 -0.08 -0.03 0.00 -0.44 0.00 0.00 62.40 61.94 3a8p h SER 619 CO -0.04 0.31 0.19 0.25 -0.53 0.00 0.00 176.83 177.02 3a8p h LEU 620 N 0.28 1.05 -0.60 2.23 5.85 -1.15 -0.96 115.31 122.01 3a8p h LEU 620 Ca 0.09 -0.22 0.01 0.00 0.84 0.00 0.00 57.88 58.59 3a8p h LEU 620 Cb 0.08 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.80 3a8p h LEU 620 CO -0.01 1.00 0.39 0.15 -0.34 0.00 0.00 178.44 179.63 3a8p h PHE 621 N 1.05 0.75 -0.71 1.25 3.57 -0.66 -0.59 116.94 121.60 3a8p h PHE 621 Ca 0.22 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.70 3a8p h PHE 621 Cb 0.34 -0.25 -0.03 0.00 2.79 0.00 0.00 35.95 38.80 3a8p h PHE 621 CO 0.03 0.48 0.30 0.00 -2.23 0.00 0.00 178.31 176.88 3a8p h ALA 622 N 1.22 0.93 -0.59 2.41 0.00 -0.72 -2.55 119.26 119.96 3a8p h ALA 622 Ca 0.22 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 3a8p h ALA 622 Cb -0.09 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.40 3a8p h ALA 622 CO -0.05 0.54 0.05 0.87 0.00 0.00 0.00 179.25 180.66 3a8p h LYS 623 N 1.02 0.98 0.00 0.00 1.57 -0.67 -0.79 116.57 118.67 3a8p h LYS 623 Ca 0.24 -0.27 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 3a8p h LYS 623 Cb 0.20 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.40 3a8p h LYS 623 CO -0.02 0.94 0.00 0.87 -0.57 0.00 0.00 179.45 180.67 3a8p h LYS 624 N 0.92 0.00 -0.48 3.15 1.57 -0.78 -0.53 116.57 120.42 3a8p h LYS 624 Ca 0.18 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 3a8p h LYS 624 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.78 3a8p h LYS 624 CO 0.02 0.00 0.00 0.72 -0.57 0.00 0.00 179.45 179.62 3a8p n HIS 625 N -2.82 0.63 -2.11 -1.35 8.25 -0.74 -4.96 115.22 112.12 3a8p n HIS 625 Ca -0.00 -0.35 -0.20 0.00 -0.26 0.00 0.00 57.72 56.91 3a8p n HIS 625 Cb 0.21 -0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.28 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 1.40 0.35 3.70 -1.41 0.00 -0.21 -4.99 105.19 104.02 3a8p n GLY 626 Ca 0.20 -0.05 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 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 -4.55 2.72 -0.20 1.61 -0.14 -0.38 -5.01 119.74 113.79 3a8p s LYS 627 Ca 0.00 -0.70 0.09 0.00 -1.36 0.00 0.00 55.97 53.99 3a8p s LYS 627 Cb 0.00 -2.64 -0.22 0.00 -1.68 0.00 0.00 37.83 33.30 3a8p s LYS 627 CO 0.00 0.59 0.05 0.39 -0.76 0.00 0.00 175.35 175.62 3a8p n GLU 628 N 0.94 0.68 -2.82 1.68 1.02 -1.26 -4.25 120.64 116.63 3a8p n GLU 628 Ca -0.12 0.11 -0.43 0.00 -0.02 0.00 0.00 57.16 56.70 3a8p n GLU 628 Cb 0.52 -1.57 -0.02 0.00 -0.02 0.00 0.00 31.44 30.35 3a8p n GLU 628 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3a8p s ASP 629 N -6.11 6.66 0.13 1.62 -1.08 -1.26 -4.89 116.67 111.73 3a8p s ASP 629 Ca -0.20 -2.02 -0.21 0.00 -0.52 0.00 0.00 52.55 49.60 3a8p s ASP 629 Cb 0.07 -2.45 -0.02 0.00 -1.46 0.00 0.00 42.92 39.06 3a8p s ASP 629 CO 0.74 -1.15 1.69 0.74 0.52 0.00 0.00 175.17 177.70 3a8p h THR 630 N 5.94 0.71 -0.78 1.71 2.02 -1.94 -2.14 112.91 118.43 3a8p h THR 630 Ca 0.20 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.46 3a8p h THR 630 Cb 1.00 0.71 -0.07 0.00 -1.74 0.00 0.00 68.15 68.05 3a8p h THR 630 CO 1.22 0.00 0.44 0.58 0.37 0.00 0.00 175.52 178.14 3a8p h VAL 631 N -0.09 0.94 -0.69 3.16 2.07 -1.97 -0.27 116.25 119.41 3a8p h VAL 631 Ca 0.09 -0.26 -0.06 0.00 0.82 0.00 0.00 66.70 67.29 3a8p h VAL 631 Cb 0.23 0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 30.07 3a8p h VAL 631 CO -0.22 0.14 0.19 -0.09 0.02 0.00 0.00 177.57 177.61 3a8p h ARG 632 N 0.77 1.07 -0.28 1.57 2.43 -1.90 -0.62 114.38 117.43 3a8p h ARG 632 Ca 0.36 -0.23 -0.07 0.00 -0.81 0.00 0.00 59.98 59.23 3a8p h ARG 632 Cb 0.28 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 3a8p h ARG 632 CO -0.22 0.93 -0.09 1.25 -1.51 0.00 0.00 179.97 180.32 3a8p h LEU 633 N 1.02 0.57 -0.30 3.80 5.85 -0.73 -0.67 115.31 124.86 3a8p h LEU 633 Ca 0.22 -0.38 0.02 0.00 0.84 0.00 0.00 57.88 58.58 3a8p h LEU 633 Cb 0.32 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 3a8p h LEU 633 CO -0.00 0.82 0.15 -0.07 -0.34 0.00 0.00 178.44 179.00 3a8p h LEU 634 N 0.31 0.22 -0.40 2.25 3.38 -0.79 0.36 115.31 120.64 3a8p h LEU 634 Ca 0.07 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 3a8p h LEU 634 Cb 0.59 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 3a8p h LEU 634 CO 0.03 0.16 0.16 0.11 0.09 0.00 0.00 178.44 179.00 3a8p h LYS 635 N 0.31 0.59 -0.76 1.13 1.57 -1.09 -0.57 116.57 117.75 3a8p h LYS 635 Ca 0.12 -0.11 0.08 0.00 -1.87 0.00 0.00 60.65 58.87 3a8p h LYS 635 Cb 0.04 -0.10 -0.06 0.00 0.08 0.00 0.00 32.23 32.19 3a8p h LYS 635 CO -0.09 0.56 0.43 1.03 -0.57 0.00 0.00 179.45 180.81 3a8p h SER 636 N 0.50 0.62 -0.52 0.86 0.87 -0.53 -0.01 113.55 115.33 3a8p h SER 636 Ca 0.13 0.04 -0.05 0.00 -1.23 0.00 0.00 61.79 60.68 3a8p h SER 636 Cb 0.18 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.04 3a8p h SER 636 CO -0.01 0.38 0.13 1.56 -0.53 0.00 0.00 176.83 178.36 3a8p h GLN 637 N 0.75 0.84 -0.48 2.24 1.08 0.25 -2.42 115.11 117.37 3a8p h GLN 637 Ca 0.35 -0.20 -0.07 0.00 -1.45 0.00 0.00 58.65 57.28 3a8p h GLN 637 Cb 0.27 -0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 27.57 3a8p h GLN 637 CO -0.22 0.79 0.01 1.79 -0.95 0.00 0.00 178.83 180.26 3a8p h THR 638 N 0.73 1.24 -0.06 -0.54 1.35 -0.19 -1.00 112.91 114.44 3a8p h THR 638 Ca 0.17 -0.98 0.01 0.00 -0.55 0.00 0.00 66.41 65.05 3a8p h THR 638 Cb 0.33 0.85 -0.01 0.00 -1.73 0.00 0.00 68.15 67.59 3a8p h THR 638 CO 0.00 0.35 0.01 -0.09 -0.25 0.00 0.00 175.52 175.53 3a8p h ARG 639 N 0.75 0.03 -0.67 4.72 2.43 -0.84 -0.65 114.38 120.15 3a8p h ARG 639 Ca 0.15 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.30 3a8p h ARG 639 Cb 0.43 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.94 3a8p h ARG 639 CO 0.02 0.02 0.36 1.03 -1.51 0.00 0.00 179.97 179.89 3a8p h SER 640 N 0.03 0.83 -0.61 -3.80 0.87 -1.11 -2.29 113.55 107.48 3a8p h SER 640 Ca 0.03 -0.10 -0.07 0.00 -1.23 0.00 0.00 61.79 60.43 3a8p h SER 640 Cb 0.03 -0.21 -0.03 0.00 -0.44 0.00 0.00 62.40 61.75 3a8p h SER 640 CO -0.04 0.69 0.14 -0.07 -0.53 0.00 0.00 176.83 177.01 3a8p h LEU 641 N 0.91 0.95 -0.88 2.23 3.38 -0.87 -1.76 115.31 119.27 3a8p h LEU 641 Ca 0.23 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 3a8p h LEU 641 Cb 0.05 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.50 3a8p h LEU 641 CO -0.04 0.93 0.46 -0.07 0.09 0.00 0.00 178.44 179.82 3a8p h LEU 642 N 0.96 1.12 -0.38 1.67 4.07 -0.84 0.44 115.31 122.35 3a8p h LEU 642 Ca 0.20 -0.12 -0.07 0.00 0.08 0.00 0.00 57.88 57.98 3a8p h LEU 642 Cb 0.37 -0.29 -0.01 0.00 1.08 0.00 0.00 40.66 41.81 3a8p h LEU 642 CO 0.00 0.92 -0.02 1.56 -1.08 0.00 0.00 178.44 179.82 3a8p h GLN 643 N 1.24 0.69 -0.47 1.13 4.20 -0.98 -1.09 115.11 119.83 3a8p h GLN 643 Ca 0.31 -0.23 -0.06 0.00 0.06 0.00 0.00 58.65 58.73 3a8p h GLN 643 Cb 0.07 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.77 3a8p h GLN 643 CO -0.05 0.80 0.07 0.87 -0.67 0.00 0.00 178.83 179.85 3a8p h LYS 644 N 0.51 0.78 -0.59 1.46 1.57 -1.00 -1.58 116.57 117.72 3a8p h LYS 644 Ca 0.11 -0.21 -0.02 0.00 -1.87 0.00 0.00 60.65 58.65 3a8p h LYS 644 Cb 0.50 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.69 3a8p h LYS 644 CO 0.02 0.80 0.28 0.82 -0.57 0.00 0.00 179.45 180.80 3a8p h ILE 645 N 0.65 1.21 0.13 1.86 2.04 -0.86 -0.25 117.51 122.30 3a8p h ILE 645 Ca 0.14 -0.60 -0.00 0.00 1.00 0.00 0.00 64.86 65.40 3a8p h ILE 645 Cb 0.40 0.52 -0.00 0.00 -0.74 0.00 0.00 36.82 37.00 3a8p h ILE 645 CO 0.01 0.24 -0.08 -0.78 0.00 0.00 0.00 178.15 177.54 3a8p h ASP 646 N 0.80 -0.21 0.08 1.72 3.58 -1.01 -0.12 116.42 121.26 3a8p h ASP 646 Ca 0.20 0.01 -0.00 0.00 0.42 0.00 0.00 57.03 57.66 3a8p h ASP 646 Cb 0.13 0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.24 3a8p h ASP 646 CO -0.02 -0.14 -0.04 -0.03 -2.88 0.00 0.00 179.24 176.13 3a8p h MET 647 N -0.21 -0.10 -0.26 0.28 4.05 -1.13 -1.90 114.93 115.67 3a8p h MET 647 Ca -0.01 0.01 -0.07 0.00 -0.28 0.00 0.00 59.70 59.34 3a8p h MET 647 Cb 0.18 0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 30.99 3a8p h MET 647 CO 0.01 0.05 -0.15 -0.44 0.23 0.00 0.00 176.91 176.61 3a8p h ASP 648 N -0.23 0.43 -0.25 1.39 3.45 -1.01 -0.31 116.42 119.89 3a8p h ASP 648 Ca -0.01 -0.11 -0.16 0.00 0.43 0.00 0.00 57.03 57.17 3a8p h ASP 648 Cb 0.19 -0.12 -0.01 0.00 -0.56 0.00 0.00 39.33 38.84 3a8p h ASP 648 CO 0.02 0.61 -0.45 0.77 -1.57 0.00 0.00 179.24 178.62 3a8p h SER 649 N 0.41 0.88 -0.40 6.45 4.64 -0.97 -1.18 113.55 123.38 3a8p h SER 649 Ca 0.07 -0.43 -0.08 0.00 -0.47 0.00 0.00 61.79 60.88 3a8p h SER 649 Cb 0.51 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 62.33 3a8p h SER 649 CO 0.03 1.20 -0.08 0.11 -0.87 0.00 0.00 176.83 177.22 3a8p h LYS 650 N 0.65 0.75 -0.33 4.77 1.57 -1.02 -0.43 116.57 122.53 3a8p h LYS 650 Ca 0.04 -0.28 -0.06 0.00 -1.87 0.00 0.00 60.65 58.48 3a8p h LYS 650 Cb 1.03 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.27 3a8p h LYS 650 CO 0.10 0.88 -0.03 0.52 -0.57 0.00 0.00 179.45 180.35 3a8p h MET 651 N 0.57 0.53 -0.68 3.15 2.86 -1.02 -1.23 114.93 119.12 3a8p h MET 651 Ca 0.10 -0.12 -0.07 0.00 -2.06 0.00 0.00 59.70 57.55 3a8p h MET 651 Cb 0.59 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 32.15 3a8p h MET 651 CO 0.04 0.58 0.15 -0.22 1.06 0.00 0.00 176.91 178.51 3a8p h LYS 652 N 0.51 1.10 -0.54 1.72 3.64 -0.80 -1.96 116.57 120.23 3a8p h LYS 652 Ca 0.10 -0.28 -0.08 0.00 -1.27 0.00 0.00 60.65 59.13 3a8p h LYS 652 Cb 0.38 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.04 3a8p h LYS 652 CO 0.02 0.99 0.04 1.57 -2.27 0.00 0.00 179.45 179.79 3a8p h LYS 653 N 1.03 0.94 0.00 1.90 2.10 -0.49 -1.45 116.57 120.59 3a8p h LYS 653 Ca 0.21 -0.28 -0.00 0.00 -2.00 0.00 0.00 60.65 58.58 3a8p h LYS 653 Cb 0.39 -0.09 -0.00 0.00 -0.90 0.00 0.00 32.23 31.63 3a8p h LYS 653 CO 0.01 0.93 -0.02 1.98 -2.00 0.00 0.00 179.45 180.35 3a8p h MET 654 N 0.82 0.00 0.16 0.07 4.05 -0.90 0.75 114.93 119.89 3a8p h MET 654 Ca 0.16 0.00 -0.30 0.00 -0.28 0.00 0.00 59.70 59.28 3a8p h MET 654 Cb 0.49 0.00 0.01 0.00 -0.80 0.00 0.00 31.60 31.30 3a8p h MET 654 CO 0.02 0.02 -1.33 0.00 0.23 0.00 0.00 176.91 175.85 3a8p h ALA 655 N 1.98 0.03 -0.18 0.39 0.00 -0.85 -1.95 119.26 118.68 3a8p h ALA 655 Ca -0.00 -0.90 -0.09 0.00 0.00 0.00 0.00 54.91 53.92 3a8p h ALA 655 Cb 0.04 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3a8p h ALA 655 CO 0.00 0.91 -0.29 0.93 0.00 0.00 0.00 179.25 180.79 3a8p h GLU 656 N 0.10 0.36 -0.26 0.00 5.08 -0.47 0.90 114.58 120.29 3a8p h GLU 656 Ca -0.18 -0.14 -0.14 0.00 -1.00 0.00 0.00 59.36 57.90 3a8p h GLU 656 Cb 2.03 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 31.26 3a8p h GLU 656 CO 0.22 0.62 -0.43 1.25 -1.00 0.00 0.00 179.01 179.68 3a8p h LEU 657 N 0.31 0.68 -0.83 1.33 5.85 -0.88 0.01 115.31 121.79 3a8p h LEU 657 Ca 0.04 -0.32 -0.03 0.00 0.84 0.00 0.00 57.88 58.42 3a8p h LEU 657 Cb 0.68 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.48 3a8p h LEU 657 CO 0.05 1.02 0.41 1.56 -0.34 0.00 0.00 178.44 181.14 3a8p h GLN 658 N 0.52 1.20 -0.63 1.25 1.08 -0.55 -2.35 115.11 115.63 3a8p h GLN 658 Ca 0.04 -0.17 -0.07 0.00 -1.45 0.00 0.00 58.65 57.00 3a8p h GLN 658 Cb 0.95 -0.22 -0.03 0.00 -0.05 0.00 0.00 27.48 28.14 3a8p h GLN 658 CO 0.09 0.92 0.12 1.25 -0.95 0.00 0.00 178.83 180.26 3a8p h LEU 659 N 1.18 0.95 0.00 1.46 5.85 -0.18 -1.83 115.31 122.75 3a8p h LEU 659 Ca 0.29 -0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.80 3a8p h LEU 659 Cb 0.11 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 40.89 3a8p h LEU 659 CO -0.04 0.94 0.00 -1.54 -0.34 0.00 0.00 178.44 177.46 3a8p n SER 660 N -4.23 0.00 -0.42 1.25 3.41 -0.07 -2.36 113.62 111.20 3a8p n SER 660 Ca 0.04 0.30 0.00 0.00 -0.26 0.00 0.00 58.87 58.96 3a8p n SER 660 Cb 0.27 -0.36 0.00 0.00 -0.26 0.00 0.00 64.21 63.86 3a8p n SER 660 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 3a8p n VAL 661 N -1.36 0.07 -3.72 -3.33 0.24 -0.97 -5.05 118.33 104.20 3a8p n VAL 661 Ca 0.02 -0.08 -0.37 0.00 -2.04 0.00 0.00 64.34 61.87 3a8p n VAL 661 Cb 0.06 0.53 -0.12 0.00 -1.47 0.00 0.00 33.84 32.84 3a8p n VAL 661 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3a8p s VAL 662 N -0.10 4.34 0.59 3.34 0.11 -0.73 -5.07 120.40 122.89 3a8p s VAL 662 Ca 0.01 -0.34 -0.01 0.00 -2.93 0.00 0.00 61.98 58.71 3a8p s VAL 662 Cb 0.01 -3.12 0.04 0.00 -1.53 0.00 0.00 36.38 31.78 3a8p s VAL 662 CO 0.00 0.21 0.84 -0.94 -3.33 0.00 0.00 175.10 171.88 3a8p s SER 663 N 1.59 5.15 0.02 3.54 1.04 -1.26 -4.84 113.70 118.94 3a8p s SER 663 Ca 0.05 0.10 0.00 0.00 0.48 0.00 0.00 55.95 56.59 3a8p s SER 663 Cb -0.16 -0.92 0.00 0.00 0.10 0.00 0.00 66.02 65.04 3a8p s SER 663 CO 0.04 -1.27 0.00 -0.90 0.98 0.00 0.00 173.24 172.09 3a8p n ASP 664 N -2.50 -5.62 0.00 7.02 5.68 -1.26 -4.65 116.55 115.23 3a8p n ASP 664 Ca 0.08 0.87 -0.10 0.00 -0.50 0.00 0.00 54.79 55.14 3a8p n ASP 664 Cb 0.60 -3.02 -0.03 0.00 -1.14 0.00 0.00 41.12 37.53 3a8p n ASP 664 CO 0.00 0.00 0.00 -0.65 -1.33 0.00 0.00 177.20 175.22 3a8p h PRO 665 N 2.05 -0.32 -1.90 0.11 0.11 -1.98 -2.99 132.00 127.08 3a8p h PRO 665 Ca 0.00 0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.13 3a8p h PRO 665 Cb 0.00 0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.18 3a8p h PRO 665 CO 0.00 -0.22 0.00 0.36 -0.21 0.00 0.00 178.00 177.93 3a8p n LYS 666 N -5.38 0.40 0.00 1.05 2.85 -1.26 -1.41 118.16 114.40 3a8p n LYS 666 Ca -0.03 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.23 3a8p n LYS 666 Cb 0.30 -1.30 0.00 0.00 -0.65 0.00 0.00 35.03 33.38 3a8p n LYS 666 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 3a8p n ASN 667 N 1.54 0.00 0.00 -5.58 4.13 -1.18 -4.84 115.26 109.33 3a8p n ASN 667 Ca 0.00 0.00 0.15 0.00 1.68 0.00 0.00 54.58 56.41 3a8p n ASN 667 Cb 0.20 0.00 0.82 0.00 -1.54 0.00 0.00 39.78 39.25 3a8p n ASN 667 CO 0.00 0.00 0.00 -2.11 0.28 0.00 0.00 177.26 175.43 3a8p n ARG 668 N -1.46 0.67 0.01 3.52 1.85 -0.50 -2.72 116.66 118.03 3a8p n ARG 668 Ca 0.00 0.01 -0.11 0.00 -1.00 0.00 0.00 57.85 56.75 3a8p n ARG 668 Cb 0.00 -1.50 -0.14 0.00 -1.05 0.00 0.00 32.46 29.77 3a8p n ARG 668 CO 0.00 0.00 0.00 1.57 -0.01 0.00 0.00 177.63 179.19 3a8p h LYS 669 N 0.00 0.07 -0.29 2.89 -0.00 -1.76 -2.72 116.57 114.77 3a8p h LYS 669 Ca 0.00 -0.12 -0.04 0.00 -0.00 0.00 0.00 60.65 60.49 3a8p h LYS 669 Cb 0.14 0.05 -0.01 0.00 -0.00 0.00 0.00 32.23 32.41 3a8p h LYS 669 CO 0.00 0.77 0.03 0.00 -0.00 0.00 0.00 179.45 180.25 3a8p h ALA 670 N 0.82 0.39 -0.39 0.07 0.00 -1.80 0.64 119.26 118.98 3a8p h ALA 670 Ca -0.24 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.40 3a8p h ALA 670 Cb 1.97 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 19.63 3a8p h ALA 670 CO 0.11 0.10 -0.03 0.97 0.00 0.00 0.00 179.25 180.39 3a8p h ILE 671 N 0.30 1.22 -0.47 0.00 -0.00 -1.67 0.88 117.51 117.77 3a8p h ILE 671 Ca 0.09 -0.93 -0.08 0.00 -0.00 0.00 0.00 64.86 63.93 3a8p h ILE 671 Cb 0.38 0.96 -0.02 0.00 -0.00 0.00 0.00 36.82 38.14 3a8p h ILE 671 CO 0.01 0.32 -0.03 -0.33 -0.00 0.00 0.00 178.15 178.12 3a8p h GLU 672 N 0.59 0.86 -0.17 2.19 5.08 -1.05 -0.02 114.58 122.05 3a8p h GLU 672 Ca 0.12 -0.29 -0.07 0.00 -1.00 0.00 0.00 59.36 58.12 3a8p h GLU 672 Cb 0.42 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 3a8p h GLU 672 CO 0.02 0.92 -0.21 -0.97 -1.00 0.00 0.00 179.01 177.77 3a8p h ASN 673 N 0.71 0.29 -0.09 1.42 -0.73 0.84 -2.26 115.58 115.75 3a8p h ASN 673 Ca 0.13 -0.08 -0.16 0.00 1.87 0.00 0.00 56.30 58.06 3a8p h ASN 673 Cb 0.55 -0.08 -0.00 0.00 0.27 0.00 0.00 38.32 39.06 3a8p h ASN 673 CO 0.03 0.51 -0.53 -0.61 -0.37 0.00 0.00 177.43 176.47 3a8p h GLN 674 N 0.27 0.67 -0.81 6.67 5.75 -0.33 -2.41 115.11 124.91 3a8p h GLN 674 Ca 0.05 -0.41 -0.01 0.00 -0.15 0.00 0.00 58.65 58.13 3a8p h GLN 674 Cb 0.53 0.04 -0.04 0.00 1.07 0.00 0.00 27.48 29.08 3a8p h GLN 674 CO 0.04 1.03 0.46 0.82 -2.65 0.00 0.00 178.83 178.52 3a8p h ILE 675 N 0.52 1.24 0.21 2.39 1.08 -0.63 -1.99 117.51 120.33 3a8p h ILE 675 Ca 0.02 -0.57 -0.00 0.00 -0.39 0.00 0.00 64.86 63.91 3a8p h ILE 675 Cb 1.09 0.12 -0.01 0.00 -3.07 0.00 0.00 36.82 34.95 3a8p h ILE 675 CO 0.11 0.26 -0.17 -0.09 -0.69 0.00 0.00 178.15 177.56 3a8p h ARG 676 N 1.13 -0.38 -0.57 2.37 9.65 -1.14 -0.19 114.38 125.25 3a8p h ARG 676 Ca 0.29 0.03 0.09 0.00 -1.10 0.00 0.00 59.98 59.28 3a8p h ARG 676 Cb 0.01 0.09 -0.07 0.00 -1.39 0.00 0.00 29.97 28.61 3a8p h ARG 676 CO -0.05 -0.26 0.19 0.37 2.80 0.00 0.00 179.97 183.02 3a8p h GLN 677 N -0.40 0.35 -0.55 0.20 5.75 -1.13 -1.76 115.11 117.56 3a8p h GLN 677 Ca -0.01 -0.02 -0.00 0.00 -0.15 0.00 0.00 58.65 58.46 3a8p h GLN 677 Cb 0.36 -0.08 -0.03 0.00 1.07 0.00 0.00 27.48 28.80 3a8p h GLN 677 CO -0.02 0.23 0.33 -1.49 -2.65 0.00 0.00 178.83 175.23 3a8p h TRP 678 N 0.36 0.74 -0.87 3.99 6.55 -0.92 -1.50 115.95 124.29 3a8p h TRP 678 Ca 0.28 -0.01 0.05 0.00 0.95 0.00 0.00 58.89 60.17 3a8p h TRP 678 Cb 0.35 -0.24 -0.05 0.00 -0.86 0.00 0.00 29.16 28.36 3a8p h TRP 678 CO -0.18 0.51 0.57 0.93 -1.05 0.00 0.00 178.44 179.22 3a8p h GLU 679 N 0.74 1.00 -0.39 0.49 5.08 -0.25 -0.58 114.58 120.67 3a8p h GLU 679 Ca 0.20 -0.06 -0.12 0.00 -1.00 0.00 0.00 59.36 58.38 3a8p h GLU 679 Cb -0.00 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.01 3a8p h GLU 679 CO -0.04 0.66 -0.24 0.37 -1.00 0.00 0.00 179.01 178.77 3a8p h GLN 680 N 1.03 0.80 -0.47 2.33 4.15 -0.69 -1.30 115.11 120.96 3a8p h GLN 680 Ca 0.36 -0.33 -0.10 0.00 0.77 0.00 0.00 58.65 59.35 3a8p h GLN 680 Cb 0.13 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.77 3a8p h GLN 680 CO -0.12 0.95 -0.10 -0.91 -1.93 0.00 0.00 178.83 176.72 3a8p h ASN 681 N 0.69 0.90 -0.16 -0.69 2.35 -0.47 -2.77 115.58 115.43 3a8p h ASN 681 Ca 0.09 -0.36 -0.06 0.00 -0.55 0.00 0.00 56.30 55.42 3a8p h ASN 681 Cb 0.76 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.87 3a8p h ASN 681 CO 0.06 1.04 -0.09 -0.07 -1.65 0.00 0.00 177.43 176.73 3a8p h LEU 682 N 0.74 0.47 -0.31 1.61 3.38 -0.99 -1.20 115.31 119.00 3a8p h LEU 682 Ca 0.12 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 3a8p h LEU 682 Cb 0.64 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 3a8p h LEU 682 CO 0.04 0.60 0.15 -0.33 0.09 0.00 0.00 178.44 179.00 3a8p h GLU 683 N 0.46 0.44 0.00 1.13 5.08 -1.06 0.68 114.58 121.31 3a8p h GLU 683 Ca 0.09 -0.06 0.01 0.00 -1.00 0.00 0.00 59.36 58.40 3a8p h GLU 683 Cb 0.44 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 3a8p h GLU 683 CO 0.02 0.41 -0.05 -0.22 -1.00 0.00 0.00 179.01 178.17 3a8p h LYS 684 N 0.37 -0.09 -0.63 2.33 1.63 -1.17 -0.16 116.57 118.84 3a8p h LYS 684 Ca 0.11 0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.90 3a8p h LYS 684 Cb 0.11 0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 31.73 3a8p h LYS 684 CO -0.01 -0.06 0.36 0.74 -3.45 0.00 0.00 179.45 177.02 3a8p h PHE 685 N -0.09 0.86 -0.48 1.91 0.04 -1.02 -1.13 116.94 117.01 3a8p h PHE 685 Ca 0.02 -0.02 -0.06 0.00 2.80 0.00 0.00 57.97 60.72 3a8p h PHE 685 Cb 0.12 -0.28 -0.02 0.00 2.20 0.00 0.00 35.95 37.97 3a8p h PHE 685 CO -0.12 0.61 0.05 0.45 -0.60 0.00 0.00 178.31 178.69 3a8p h HIS 686 N 0.86 0.80 -0.19 -0.55 3.86 -0.67 -0.63 115.15 118.64 3a8p h HIS 686 Ca 0.22 -0.09 -0.01 0.00 -1.16 0.00 0.00 60.37 59.33 3a8p h HIS 686 Cb 0.02 -0.23 -0.01 0.00 1.06 0.00 0.00 27.41 28.26 3a8p h HIS 686 CO -0.01 0.72 0.09 1.98 0.86 0.00 0.00 177.93 181.57 3a8p h MET 687 N 0.73 0.28 -0.76 2.45 1.85 -0.48 -0.65 114.93 118.34 3a8p h MET 687 Ca 0.15 -0.04 -0.04 0.00 -0.61 0.00 0.00 59.70 59.16 3a8p h MET 687 Cb 0.37 -0.05 -0.03 0.00 0.43 0.00 0.00 31.60 32.32 3a8p h MET 687 CO 0.01 0.32 0.33 -0.44 -0.40 0.00 0.00 176.91 176.74 3a8p h ASP 688 N 0.17 1.02 -0.18 1.39 3.32 -0.97 -1.81 116.42 119.37 3a8p h ASP 688 Ca 0.06 -0.15 -0.00 0.00 0.02 0.00 0.00 57.03 56.96 3a8p h ASP 688 Cb 0.14 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 3a8p h ASP 688 CO -0.01 0.90 0.10 0.25 -1.72 0.00 0.00 179.24 178.76 3a8p h LEU 689 N 1.09 0.23 -0.80 1.55 5.85 -0.91 -0.41 115.31 121.90 3a8p h LEU 689 Ca 0.26 -0.07 0.07 0.00 0.84 0.00 0.00 57.88 58.97 3a8p h LEU 689 Cb 0.17 -0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.08 3a8p h LEU 689 CO -0.03 0.23 0.48 0.15 -0.34 0.00 0.00 178.44 178.93 3a8p h PHE 690 N 0.20 0.88 -0.45 1.25 3.57 -0.90 0.17 116.94 121.65 3a8p h PHE 690 Ca 0.07 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.54 3a8p h PHE 690 Cb 0.05 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 38.50 3a8p h PHE 690 CO -0.04 0.42 0.08 -0.09 -2.23 0.00 0.00 178.31 176.45 3a8p h ARG 691 N 0.86 0.74 -0.65 1.11 2.43 -0.95 -0.28 114.38 117.64 3a8p h ARG 691 Ca 0.36 -0.20 -0.04 0.00 -0.81 0.00 0.00 59.98 59.29 3a8p h ARG 691 Cb 0.21 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.64 3a8p h ARG 691 CO -0.19 0.76 0.26 0.52 -1.51 0.00 0.00 179.97 179.82 3a8p h MET 692 N 0.60 0.96 -0.07 0.20 2.86 -0.38 -1.12 114.93 117.98 3a8p h MET 692 Ca 0.14 -0.15 -0.13 0.00 -2.06 0.00 0.00 59.70 57.49 3a8p h MET 692 Cb 0.38 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.86 3a8p h MET 692 CO 0.01 0.78 -0.55 0.00 1.06 0.00 0.00 176.91 178.21 3a8p h ARG 693 N 0.94 0.21 -0.57 1.72 3.08 -0.67 -1.28 114.38 117.81 3a8p h ARG 693 Ca 0.22 -0.13 -0.09 0.00 0.07 0.00 0.00 59.98 60.05 3a8p h ARG 693 Cb 0.18 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.22 3a8p h ARG 693 CO -0.02 0.70 -0.01 0.00 -1.07 0.00 0.00 179.97 179.58 3a8p h TYR 695 N 0.91 0.85 -0.45 0.00 -1.99 -0.98 -2.26 116.97 113.06 3a8p h TYR 695 Ca 0.16 -0.26 0.01 0.00 2.00 0.00 0.00 58.73 60.65 3a8p h TYR 695 Cb 0.54 -0.18 -0.03 0.00 2.00 0.00 0.00 36.73 39.07 3a8p h TYR 695 CO 0.04 1.00 0.28 -0.07 -0.00 0.00 0.00 178.16 179.41 3a8p h LEU 696 N 0.45 0.47 -0.34 3.88 3.38 -1.14 -1.66 115.31 120.35 3a8p h LEU 696 Ca 0.04 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 3a8p h LEU 696 Cb 0.86 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 3a8p h LEU 696 CO 0.07 0.34 0.12 0.00 0.09 0.00 0.00 178.44 179.06 3a8p h ALA 697 N 1.18 0.45 -0.38 1.53 0.00 -1.34 0.03 119.26 120.73 3a8p h ALA 697 Ca 0.17 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 3a8p h ALA 697 Cb -0.03 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3a8p h ALA 697 CO -0.06 0.07 -0.09 0.77 0.00 0.00 0.00 179.25 179.95 3a8p h SER 698 N 0.40 0.63 1.20 0.00 0.02 -1.26 0.33 113.55 114.87 3a8p h SER 698 Ca 0.11 -0.17 -0.11 0.00 -0.84 0.00 0.00 61.79 60.78 3a8p h SER 698 Cb 0.23 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.59 3a8p h SER 698 CO -0.01 0.76 -0.52 -0.07 -1.14 0.00 0.00 176.83 175.86 3a8p h LEU 699 N 0.60 0.00 -1.20 5.07 3.38 -1.12 -3.30 115.31 118.74 3a8p h LEU 699 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3a8p h LEU 699 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 3a8p h LEU 699 CO 0.03 0.52 -0.28 0.00 0.09 0.00 0.00 178.44 178.80 3a8p n GLN 700 N -3.35 1.57 -1.00 1.13 6.02 -0.02 -4.97 117.38 116.77 3a8p n GLN 700 Ca 0.01 -1.14 0.00 0.00 -0.01 0.00 0.00 57.00 55.86 3a8p n GLN 700 Cb 0.68 -1.37 0.00 0.00 1.02 0.00 0.00 30.24 30.57 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 1.23 0.65 3.93 1.08 0.00 0.10 -5.03 105.19 107.16 3a8p n GLY 701 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 3a8p n GLY 701 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3a8p s GLY 702 N -2.00 1.79 0.20 -0.02 0.00 -0.46 -5.00 107.32 101.83 3a8p s GLY 702 Ca 0.00 -1.24 -0.28 0.00 0.00 0.00 0.00 44.72 43.20 3a8p s GLY 702 CO 0.00 -0.46 0.86 -1.83 0.00 0.00 0.00 173.10 171.67 3a8p s GLU 703 N -5.89 4.71 0.60 2.90 1.03 -1.26 -4.56 118.70 116.23 3a8p s GLU 703 Ca 0.74 1.32 -0.19 0.00 0.03 0.00 0.00 54.97 56.88 3a8p s GLU 703 Cb -0.03 -3.27 -0.03 0.00 -0.80 0.00 0.00 34.13 29.99 3a8p s GLU 703 CO 0.53 0.54 1.21 -0.51 -1.33 0.00 0.00 175.26 175.70 3a8p s LEU 704 N -1.13 3.66 0.62 1.83 1.02 -1.26 -4.83 118.68 118.59 3a8p s LEU 704 Ca 0.39 2.40 -0.18 0.00 0.02 0.00 0.00 54.13 56.75 3a8p s LEU 704 Cb -0.24 -4.60 -0.03 0.00 0.02 0.00 0.00 46.19 41.33 3a8p s LEU 704 CO 0.29 -1.62 1.07 -0.81 0.02 0.00 0.00 176.35 175.30 3a8p n PRO 705 N -1.62 0.94 -2.09 1.29 -0.04 -1.26 -4.90 135.00 127.33 3a8p n PRO 705 Ca 0.14 0.37 -0.43 0.00 -0.04 0.00 0.00 63.50 63.54 3a8p n PRO 705 Cb 0.50 -2.29 -0.03 0.00 -0.04 0.00 0.00 33.50 31.64 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 -1.31 6.60 0.50 3.54 3.84 -1.26 -4.91 114.94 121.93 3a8p s ASN 706 Ca 0.79 1.98 0.15 0.00 0.21 0.00 0.00 52.86 55.99 3a8p s ASN 706 Cb -0.40 -2.53 1.19 0.00 -0.55 0.00 0.00 41.25 38.96 3a8p s ASN 706 CO 0.44 -1.02 2.11 1.55 -2.79 0.00 0.00 177.10 177.39 3a8p h PRO 707 N 9.80 0.01 0.00 0.43 0.13 -2.01 -2.60 132.00 137.76 3a8p h PRO 707 Ca -0.36 -0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.71 3a8p h PRO 707 Cb 1.16 -0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 3a8p h PRO 707 CO 0.97 0.05 -0.29 0.87 -0.23 0.00 0.00 178.00 179.37 3a8p h LYS 708 N 0.01 0.00 -0.55 0.86 1.79 -1.98 -1.43 116.57 115.28 3a8p h LYS 708 Ca 0.00 0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 58.38 3a8p h LYS 708 Cb 0.08 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.71 3a8p h LYS 708 CO 0.01 0.29 -0.01 0.77 -1.08 0.00 0.00 179.45 179.42 3a8p h SER 709 N 0.00 0.92 -0.07 0.86 0.02 -1.87 -2.18 113.55 111.23 3a8p h SER 709 Ca -0.00 -0.25 -0.04 0.00 -0.84 0.00 0.00 61.79 60.66 3a8p h SER 709 Cb 0.57 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 62.86 3a8p h SER 709 CO 0.04 0.99 -0.11 0.25 -1.14 0.00 0.00 176.83 176.85 3a8p h LEU 710 N 0.87 0.22 -1.12 5.07 5.85 -1.51 -3.03 115.31 121.66 3a8p h LEU 710 Ca 0.16 -0.54 0.00 0.00 0.84 0.00 0.00 57.88 58.33 3a8p h LEU 710 Cb 0.53 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.50 3a8p h LEU 710 CO 0.03 0.72 0.00 0.18 -0.34 0.00 0.00 178.44 179.03 3a8p n LEU 711 N -4.65 0.49 0.25 2.25 4.77 -0.59 -0.38 117.00 119.15 3a8p n LEU 711 Ca -0.08 0.71 0.16 0.00 -0.03 0.00 0.00 56.01 56.77 3a8p n LEU 711 Cb 0.35 -0.75 0.60 0.00 -2.33 0.00 0.00 43.42 41.29 3a8p n LEU 711 CO 0.37 -0.83 0.96 0.00 -1.33 0.00 0.00 177.39 176.56 3a8p h ALA 712 N 2.05 1.00 -0.01 -1.18 0.00 -1.26 -2.67 119.26 117.19 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 0.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3a8p h ALA 712 CO 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 179.25 179.05 3a8p n ALA 713 N -2.06 2.97 -2.18 0.00 0.00 0.49 -4.88 120.51 114.85 3a8p n ALA 713 Ca 0.01 -0.38 -0.43 0.00 0.00 0.00 0.00 53.44 52.64 3a8p n ALA 713 Cb 0.33 -1.17 -0.02 0.00 0.00 0.00 0.00 19.45 18.58 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 -2.44 3.85 0.70 0.00 2.01 -1.01 -4.66 115.64 114.10 3a8p s THR 714 Ca 0.27 1.04 -0.12 0.00 0.31 0.00 0.00 61.69 63.19 3a8p s THR 714 Cb 0.20 -3.67 0.02 0.00 0.01 0.00 0.00 72.50 69.05 3a8p s THR 714 CO 0.49 -0.09 1.08 -0.94 -0.69 0.00 0.00 174.62 174.48 3a8p s SER 715 N 2.75 5.02 0.21 3.53 1.04 -1.26 -4.79 113.70 120.20 3a8p s SER 715 Ca 0.66 1.82 -0.09 0.00 0.48 0.00 0.00 55.95 58.82 3a8p s SER 715 Cb -0.29 -2.52 0.24 0.00 0.10 0.00 0.00 66.02 63.55 3a8p s SER 715 CO 0.24 -1.69 1.81 -0.09 0.98 0.00 0.00 173.24 174.49 3a8p h ARG 716 N -0.53 0.68 -0.84 4.02 2.43 -1.99 -0.02 114.38 118.13 3a8p h ARG 716 Ca -0.45 -0.04 0.03 0.00 -0.81 0.00 0.00 59.98 58.71 3a8p h ARG 716 Cb 1.23 -0.15 -0.05 0.00 -0.42 0.00 0.00 29.97 30.58 3a8p h ARG 716 CO 0.54 0.45 0.55 -1.35 -1.51 0.00 0.00 179.97 178.65 3a8p h PRO 717 N 0.70 1.01 -0.24 0.20 0.11 -1.99 -0.13 132.00 131.66 3a8p h PRO 717 Ca 0.30 -0.06 -0.06 0.00 0.11 0.00 0.00 66.00 66.29 3a8p h PRO 717 Cb 0.18 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 31.05 3a8p h PRO 717 CO -0.18 0.67 -0.09 0.77 -0.21 0.00 0.00 178.00 178.96 3a8p h SER 718 N 1.04 0.50 -0.03 -2.05 0.02 -1.62 -1.59 113.55 109.83 3a8p h SER 718 Ca 0.33 -0.39 0.02 0.00 -0.84 0.00 0.00 61.79 60.91 3a8p h SER 718 Cb 0.02 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 62.40 3a8p h SER 718 CO -0.10 0.78 -0.10 0.11 -1.14 0.00 0.00 176.83 176.38 3a8p h LYS 719 N 0.22 -0.16 -0.86 3.45 1.57 -0.43 0.10 116.57 120.46 3a8p h LYS 719 Ca 0.06 0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.89 3a8p h LYS 719 Cb 0.58 0.04 -0.05 0.00 0.08 0.00 0.00 32.23 32.87 3a8p h LYS 719 CO 0.03 -0.11 0.56 -0.07 -0.57 0.00 0.00 179.45 179.30 3a8p h LEU 720 N -0.16 0.91 -0.47 2.94 4.07 -1.03 0.39 115.31 121.95 3a8p h LEU 720 Ca 0.05 -0.01 -0.04 0.00 0.08 0.00 0.00 57.88 57.96 3a8p h LEU 720 Cb 0.23 -0.21 -0.02 0.00 1.08 0.00 0.00 40.66 41.74 3a8p h LEU 720 CO -0.13 0.62 0.13 0.00 -1.08 0.00 0.00 178.44 177.98 3a8p h ALA 721 N 1.50 0.61 0.00 1.53 0.00 -0.49 -2.73 119.26 119.70 3a8p h ALA 721 Ca 0.34 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.96 3a8p h ALA 721 Cb 0.05 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3a8p h ALA 721 CO -0.11 0.28 -0.48 -0.07 0.00 0.00 0.00 179.25 178.88 3a8p h LEU 722 N 0.62 0.00 0.06 0.00 3.38 -0.17 -3.03 115.31 116.18 3a8p h LEU 722 Ca 0.15 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 3a8p h LEU 722 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 3a8p h LEU 722 CO -0.00 0.48 -0.03 1.23 0.09 0.00 0.00 178.44 180.21 3a8p h GLY 723 N 2.44 -0.09 0.36 0.83 0.00 0.01 -1.23 103.07 105.39 3a8p h GLY 723 Ca -0.00 0.03 0.10 0.00 0.00 0.00 0.00 47.33 47.46 3a8p h GLY 723 CO 0.06 -0.03 0.23 3.21 0.00 0.00 0.00 176.54 180.01 3a8p h ARG 724 N -0.10 0.39 -0.31 4.80 3.08 -1.46 -0.84 114.38 119.94 3a8p h ARG 724 Ca -0.01 -0.02 0.07 0.00 0.07 0.00 0.00 59.98 60.09 3a8p h ARG 724 Cb 0.08 -0.09 -0.07 0.00 0.08 0.00 0.00 29.97 29.97 3a8p h ARG 724 CO 0.01 0.26 -0.19 1.25 -1.07 0.00 0.00 179.97 180.24 3a8p h LEU 725 N 0.41 -0.62 0.00 3.04 6.46 -1.31 -3.46 115.31 119.82 3a8p h LEU 725 Ca 0.32 0.13 0.00 0.00 -0.12 0.00 0.00 57.88 58.21 3a8p h LEU 725 Cb 0.40 0.32 0.00 0.00 -0.73 0.00 0.00 40.66 40.65 3a8p h LEU 725 CO -0.32 -0.22 0.00 0.61 -0.62 0.00 0.00 178.44 177.89 3a8p n GLY 726 N -1.35 1.33 2.99 3.75 0.00 -0.32 -4.70 105.19 106.88 3a8p n GLY 726 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.67 1.03 -0.49 1.61 1.01 -1.18 -5.01 120.40 115.68 3a8p s VAL 727 Ca 0.00 -0.40 0.03 0.00 0.00 0.00 0.00 61.98 61.61 3a8p s VAL 727 Cb 0.00 -0.96 0.14 0.00 0.00 0.00 0.00 36.38 35.55 3a8p s VAL 727 CO 0.00 0.34 0.27 -0.22 0.00 0.00 0.00 175.10 175.48 3a8p s LEU 728 N 0.82 3.57 0.28 3.92 0.20 -1.26 -4.60 118.68 121.60 3a8p s LEU 728 Ca -0.12 -2.90 -0.02 0.00 0.69 0.00 0.00 54.13 51.78 3a8p s LEU 728 Cb -0.15 -1.35 -0.02 0.00 -0.43 0.00 0.00 46.19 44.24 3a8p s LEU 728 CO 0.02 -0.24 0.33 -0.94 -0.29 0.00 0.00 176.35 175.23 3a8p s SER 729 N -0.08 0.62 0.23 3.68 1.04 -1.26 -5.01 113.70 112.93 3a8p s SER 729 Ca 0.18 -1.40 -0.07 0.00 0.48 0.00 0.00 55.95 55.15 3a8p s SER 729 Cb -0.23 0.54 0.29 0.00 0.10 0.00 0.00 66.02 66.72 3a8p s SER 729 CO -0.01 -1.08 1.86 0.58 0.98 0.00 0.00 173.24 175.57 3a8p h VAL 730 N 2.30 1.09 -0.05 5.02 2.07 -1.98 0.15 116.25 124.85 3a8p h VAL 730 Ca -0.30 -0.35 0.01 0.00 0.82 0.00 0.00 66.70 66.89 3a8p h VAL 730 Cb 1.24 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 3a8p h VAL 730 CO 0.42 0.18 -0.02 0.28 0.02 0.00 0.00 177.57 178.46 3a8p h SER 731 N 1.01 -0.06 -0.15 0.57 0.02 -1.95 0.20 113.55 113.19 3a8p h SER 731 Ca 0.35 0.02 -0.11 0.00 -0.84 0.00 0.00 61.79 61.21 3a8p h SER 731 Cb 0.08 0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.65 3a8p h SER 731 CO -0.14 -0.02 -0.25 0.77 -1.14 0.00 0.00 176.83 176.04 3a8p h SER 732 N -0.01 0.61 -0.66 3.07 4.64 -1.79 -1.31 113.55 118.11 3a8p h SER 732 Ca 0.03 -0.22 -0.05 0.00 -0.47 0.00 0.00 61.79 61.08 3a8p h SER 732 Cb 0.05 -0.17 -0.03 0.00 -0.31 0.00 0.00 62.40 61.94 3a8p h SER 732 CO -0.06 0.85 0.23 0.15 -0.87 0.00 0.00 176.83 177.13 3a8p h PHE 733 N 0.53 1.06 -0.10 4.77 3.57 -0.57 -0.08 116.94 126.13 3a8p h PHE 733 Ca 0.07 -0.09 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 3a8p h PHE 733 Cb 0.71 -0.31 -0.00 0.00 2.79 0.00 0.00 35.95 39.14 3a8p h PHE 733 CO 0.03 0.83 0.03 1.25 -2.23 0.00 0.00 178.31 178.23 3a8p h HIS 734 N 1.00 0.15 -0.52 0.41 2.76 -0.19 -1.52 115.15 117.24 3a8p h HIS 734 Ca 0.22 -0.01 0.03 0.00 -2.20 0.00 0.00 60.37 58.41 3a8p h HIS 734 Cb 0.26 -0.04 -0.03 0.00 1.55 0.00 0.00 27.41 29.15 3a8p h HIS 734 CO 0.02 0.27 0.34 0.00 -1.30 0.00 0.00 177.93 177.26 3a8p h ALA 735 N 0.86 1.73 -0.28 5.26 0.00 -0.86 -0.63 119.26 125.35 3a8p h ALA 735 Ca 0.03 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 3a8p h ALA 735 Cb 0.19 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3a8p h ALA 735 CO -0.00 0.21 -0.21 1.25 0.00 0.00 0.00 179.25 180.50 3a8p h LEU 736 N 0.60 0.67 -0.99 0.00 5.85 -0.63 -1.93 115.31 118.89 3a8p h LEU 736 Ca 0.21 -0.44 -0.06 0.00 0.84 0.00 0.00 57.88 58.43 3a8p h LEU 736 Cb 0.08 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.89 3a8p h LEU 736 CO -0.05 0.97 0.10 0.58 -0.34 0.00 0.00 178.44 179.70 3a8p h VAL 737 N 0.38 1.23 -0.56 1.05 2.07 -0.63 -2.73 116.25 117.06 3a8p h VAL 737 Ca 0.05 -0.87 -0.10 0.00 0.82 0.00 0.00 66.70 66.61 3a8p h VAL 737 Cb 0.75 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 31.22 3a8p h VAL 737 CO 0.06 0.32 -0.05 0.00 0.02 0.00 0.00 177.57 177.91 3a8p n SER 739 N -4.16 0.44 0.07 0.00 3.41 -0.74 -0.92 113.62 111.72 3a8p n SER 739 Ca 0.02 0.66 0.12 0.00 -0.26 0.00 0.00 58.87 59.41 3a8p n SER 739 Cb 0.37 -0.73 0.10 0.00 -0.26 0.00 0.00 64.21 63.69 3a8p n SER 739 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 3a8p h ARG 740 N 0.00 0.00 0.00 4.33 3.08 -1.44 -3.46 114.38 116.89 3a8p h ARG 740 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3a8p h ARG 740 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.21 3a8p h ARG 740 CO 0.00 0.00 0.00 -3.47 -1.07 0.00 0.00 179.97 175.43