#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xym n TYR 502 N 0.00 2.12 -3.56 0.66 4.01 -1.26 -5.11 117.16 114.02 1xym n TYR 502 Ca 0.00 -3.95 -0.37 0.00 -0.16 0.00 0.00 57.90 53.42 1xym n TYR 502 Cb 0.00 -0.44 -0.09 0.00 -0.31 0.00 0.00 39.34 38.51 1xym n TYR 502 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 1xym s GLN 503 N -1.72 4.12 0.51 -0.72 -1.52 -1.26 -4.65 119.66 114.42 1xym s GLN 503 Ca 0.35 -0.07 -0.22 0.00 -1.95 0.00 0.00 55.36 53.47 1xym s GLN 503 Cb 0.11 -3.53 -0.06 0.00 -0.22 0.00 0.00 33.01 29.31 1xym s GLN 503 CO -0.08 0.04 1.25 -1.25 -0.25 0.00 0.00 175.29 175.00 1xym s PRO 504 N 1.09 3.44 0.05 2.91 0.04 -1.26 -5.06 135.00 136.21 1xym s PRO 504 Ca 0.12 1.97 -0.02 0.00 0.04 0.00 0.00 61.00 63.11 1xym s PRO 504 Cb -0.14 -2.31 -0.03 0.00 0.04 0.00 0.00 34.50 32.07 1xym s PRO 504 CO 0.05 -0.87 0.01 0.95 0.04 0.00 0.00 177.00 177.19 1xym s THR 505 N -1.45 0.19 0.34 1.26 -4.23 -1.22 -4.55 115.64 105.98 1xym s THR 505 Ca 0.68 -1.53 0.17 0.00 -1.18 0.00 0.00 61.69 59.83 1xym s THR 505 Cb -0.34 -1.26 0.17 0.00 1.34 0.00 0.00 72.50 72.41 1xym s THR 505 CO 0.40 -0.84 1.45 1.55 -0.54 0.00 0.00 174.62 176.64 1xym h PRO 506 N 3.35 0.00 0.00 3.99 0.13 -1.75 -0.68 132.00 137.04 1xym h PRO 506 Ca -0.34 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.76 1xym h PRO 506 Cb 1.16 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.29 1xym h PRO 506 CO 0.60 0.00 -0.16 1.49 -0.23 0.00 0.00 178.00 179.69 1xym h GLU 507 N 0.00 0.00 0.00 0.86 4.81 -1.95 -1.89 114.58 116.41 1xym h GLU 507 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1xym h GLU 507 Cb 0.83 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.21 1xym h GLU 507 CO 0.00 0.16 0.00 -0.25 -0.73 0.00 0.00 179.01 178.19 1xym n ASP 508 N -3.55 0.00 -2.47 1.04 8.00 -0.26 -4.94 116.55 114.36 1xym n ASP 508 Ca -0.01 0.20 -0.18 0.00 0.71 0.00 0.00 54.79 55.50 1xym n ASP 508 Cb 0.31 -0.37 -0.01 0.00 -0.02 0.00 0.00 41.12 41.04 1xym n ASP 508 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1xym n ARG 509 N -1.37 -2.09 -2.63 -1.24 1.74 -0.71 -4.69 116.66 105.68 1xym n ARG 509 Ca 0.07 0.87 -0.42 0.00 -0.77 0.00 0.00 57.85 57.60 1xym n ARG 509 Cb 0.17 -5.53 -0.03 0.00 -1.02 0.00 0.00 32.46 26.06 1xym n ARG 509 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1xym s PHE 510 N -2.92 3.48 0.17 -1.55 0.08 -1.26 -1.76 117.98 114.23 1xym s PHE 510 Ca 0.03 1.52 0.07 0.00 0.12 0.00 0.00 56.93 58.67 1xym s PHE 510 Cb -0.01 -3.24 -0.04 0.00 -0.57 0.00 0.00 43.02 39.16 1xym s PHE 510 CO 0.03 -0.48 -0.14 0.95 -0.10 0.00 0.00 175.22 175.48 1xym s THR 511 N 1.74 1.59 -0.01 0.64 -4.23 -0.77 -0.40 115.64 114.20 1xym s THR 511 Ca 0.52 -2.03 -0.03 0.00 -1.18 0.00 0.00 61.69 58.96 1xym s THR 511 Cb -0.21 -1.87 -0.00 0.00 1.34 0.00 0.00 72.50 71.76 1xym s THR 511 CO 0.22 -0.53 0.07 -0.36 -0.54 0.00 0.00 174.62 173.48 1xym s PHE 512 N -2.67 0.02 0.49 3.99 0.40 -1.08 -0.84 117.98 118.29 1xym s PHE 512 Ca 0.18 -0.03 -0.15 0.00 -0.60 0.00 0.00 56.93 56.32 1xym s PHE 512 Cb -0.02 -0.04 -0.07 0.00 0.51 0.00 0.00 43.02 43.40 1xym s PHE 512 CO 0.05 -0.13 0.93 0.20 0.70 0.00 0.00 175.22 176.97 1xym s GLY 513 N -0.62 2.02 0.36 4.36 0.00 -1.25 -1.49 107.32 110.70 1xym s GLY 513 Ca -0.07 0.07 0.05 0.00 0.00 0.00 0.00 44.72 44.77 1xym s GLY 513 CO 0.00 0.32 1.92 1.41 0.00 0.00 0.00 173.10 176.75 1xym h LEU 514 N 0.97 0.46 0.00 0.66 3.38 -1.52 -2.29 115.31 116.98 1xym h LEU 514 Ca -0.47 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.43 1xym h LEU 514 Cb 1.19 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.82 1xym h LEU 514 CO 0.62 0.50 0.00 -2.67 0.09 0.00 0.00 178.44 176.98 1xym n TRP 515 N -4.33 0.00 0.00 1.13 2.14 -1.26 -2.21 117.44 112.92 1xym n TRP 515 Ca 0.02 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.59 1xym n TRP 515 Cb 0.20 -0.42 0.00 0.00 -0.81 0.00 0.00 31.31 30.28 1xym n TRP 515 CO 0.00 0.00 0.00 0.25 2.07 0.00 0.00 177.69 180.01 1xym n THR 516 N -1.42 0.00 0.29 -1.67 -2.24 -0.86 -2.56 114.28 105.81 1xym n THR 516 Ca 0.06 0.32 0.16 0.00 -2.27 0.00 0.00 64.05 62.31 1xym n THR 516 Cb 0.18 -0.90 0.85 0.00 -2.10 0.00 0.00 70.33 68.36 1xym n THR 516 CO 0.00 0.00 0.00 -0.37 -0.57 0.00 0.00 175.07 174.13 1xym h VAL 517 N 0.00 0.35 0.00 2.28 -1.51 -1.74 -1.77 116.25 113.86 1xym h VAL 517 Ca 0.00 -0.37 0.00 0.00 -1.23 0.00 0.00 66.70 65.10 1xym h VAL 517 Cb 0.00 1.27 0.00 0.00 -2.13 0.00 0.00 31.29 30.43 1xym h VAL 517 CO 0.00 0.06 0.00 0.61 -1.23 0.00 0.00 177.57 177.01 1xym n GLY 518 N -0.72 -1.35 3.70 5.19 0.00 -0.94 -4.88 105.19 106.20 1xym n GLY 518 Ca -0.02 -0.13 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 1xym n GLY 518 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1xym s TRP 519 N -2.73 2.50 -1.96 1.61 -0.00 -0.66 -4.56 118.94 113.13 1xym s TRP 519 Ca 0.23 0.15 0.27 0.00 -0.00 0.00 0.00 56.10 56.75 1xym s TRP 519 Cb 0.20 -4.16 0.92 0.00 -0.00 0.00 0.00 33.47 30.43 1xym s TRP 519 CO 0.48 -4.60 1.67 1.04 -0.00 0.00 0.00 176.95 175.54 1xym n GLN 520 N 4.90 1.06 -0.40 5.86 6.02 -1.26 -4.90 117.38 128.66 1xym n GLN 520 Ca 0.17 -0.59 0.00 0.00 -0.01 0.00 0.00 57.00 56.57 1xym n GLN 520 Cb 0.37 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 30.14 1xym n GLN 520 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1xym n GLY 521 N 1.28 0.78 3.67 1.08 0.00 -1.26 -0.82 105.19 109.91 1xym n GLY 521 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 1xym n GLY 521 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1xym s ARG 522 N -0.60 4.19 0.47 1.61 6.06 -1.26 -4.47 118.95 124.96 1xym s ARG 522 Ca 0.00 2.19 0.02 0.00 -2.50 0.00 0.00 55.73 55.44 1xym s ARG 522 Cb 0.00 -3.90 -0.01 0.00 0.06 0.00 0.00 34.95 31.10 1xym s ARG 522 CO 0.00 -0.81 0.08 0.16 -2.50 0.00 0.00 175.30 172.23 1xym s ASP 523 N 3.11 3.52 0.61 -2.12 1.47 -0.32 -4.97 116.67 117.97 1xym s ASP 523 Ca 0.73 -1.72 0.29 0.00 1.18 0.00 0.00 52.55 53.03 1xym s ASP 523 Cb -0.34 0.63 1.52 0.00 -0.34 0.00 0.00 42.92 44.40 1xym s ASP 523 CO 0.30 -0.95 1.91 1.55 0.68 0.00 0.00 175.17 178.65 1xym h PRO 524 N 1.51 0.00 0.00 2.11 0.13 -2.01 -2.81 132.00 130.92 1xym h PRO 524 Ca -0.39 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.74 1xym h PRO 524 Cb 1.30 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.42 1xym h PRO 524 CO 0.63 0.00 -0.17 1.19 -0.23 0.00 0.00 178.00 179.43 1xym n PHE 525 N -3.44 0.00 -3.59 1.56 3.01 -1.26 -5.07 117.46 108.66 1xym n PHE 525 Ca 0.04 -1.00 -0.10 0.00 1.01 0.00 0.00 57.45 57.41 1xym n PHE 525 Cb 0.55 -0.16 -0.05 0.00 -0.01 0.00 0.00 39.48 39.81 1xym n PHE 525 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 1xym s GLY 526 N -2.77 -0.21 0.91 1.37 0.00 -1.06 -5.17 107.32 100.38 1xym s GLY 526 Ca 0.31 2.21 -0.14 0.00 0.00 0.00 0.00 44.72 47.10 1xym s GLY 526 CO 0.00 1.17 1.22 0.99 0.00 0.00 0.00 173.10 176.48 1xym s ASP 527 N -0.89 3.59 0.30 1.64 1.01 -1.26 -1.18 116.67 119.88 1xym s ASP 527 Ca -0.00 0.61 -0.29 0.00 0.71 0.00 0.00 52.55 53.58 1xym s ASP 527 Cb -0.01 -0.93 -0.11 0.00 1.01 0.00 0.00 42.92 42.88 1xym s ASP 527 CO -0.01 -2.47 1.47 0.00 0.21 0.00 0.00 175.17 174.38 1xym s ALA 528 N -3.61 3.63 -1.82 5.23 0.00 -1.26 -4.19 121.76 119.74 1xym s ALA 528 Ca 0.67 1.43 0.18 0.00 0.00 0.00 0.00 51.96 54.24 1xym s ALA 528 Cb -0.09 -3.58 0.04 0.00 0.00 0.00 0.00 23.12 19.50 1xym s ALA 528 CO 0.52 -0.85 0.96 0.25 0.00 0.00 0.00 175.76 176.64 1xym n THR 529 N 1.69 0.00 -4.04 0.00 -2.24 0.00 -4.92 114.28 104.77 1xym n THR 529 Ca 0.05 -0.38 -0.11 0.00 -2.27 0.00 0.00 64.05 61.35 1xym n THR 529 Cb 0.40 1.26 -0.11 0.00 -2.10 0.00 0.00 70.33 69.78 1xym n THR 529 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1xym s ARG 530 N -1.86 0.48 0.72 -0.78 0.52 -0.95 -4.96 118.95 112.12 1xym s ARG 530 Ca 0.17 -0.79 -0.13 0.00 -0.52 0.00 0.00 55.73 54.46 1xym s ARG 530 Cb 0.14 -0.08 0.03 0.00 0.52 0.00 0.00 34.95 35.57 1xym s ARG 530 CO 0.37 -0.01 1.11 -1.25 0.02 0.00 0.00 175.30 175.54 1xym s PRO 531 N -1.94 2.44 0.35 3.54 0.04 -1.26 -4.73 135.00 133.44 1xym s PRO 531 Ca -0.09 1.32 -0.28 0.00 0.04 0.00 0.00 61.00 61.99 1xym s PRO 531 Cb -0.07 -1.91 -0.10 0.00 0.04 0.00 0.00 34.50 32.46 1xym s PRO 531 CO -0.02 -1.52 1.28 0.00 0.04 0.00 0.00 177.00 176.79 1xym s ALA 532 N -2.59 3.41 0.16 8.56 0.00 -1.26 -4.86 121.76 125.18 1xym s ALA 532 Ca 0.65 1.21 -0.15 0.00 0.00 0.00 0.00 51.96 53.67 1xym s ALA 532 Cb -0.20 -3.47 -0.07 0.00 0.00 0.00 0.00 23.12 19.39 1xym s ALA 532 CO 0.49 -0.65 0.57 -0.51 0.00 0.00 0.00 175.76 175.66 1xym s LEU 533 N -1.98 4.34 0.06 0.00 1.43 -1.26 -5.07 118.68 116.20 1xym s LEU 533 Ca 0.51 1.13 -0.30 0.00 -1.03 0.00 0.00 54.13 54.44 1xym s LEU 533 Cb -0.38 -3.30 -0.05 0.00 0.03 0.00 0.00 46.19 42.49 1xym s LEU 533 CO 0.50 0.10 1.06 -0.62 0.23 0.00 0.00 176.35 177.62 1xym s ASP 534 N -1.69 7.29 0.37 2.29 -1.08 -1.26 -4.95 116.67 117.64 1xym s ASP 534 Ca 0.38 1.84 0.12 0.00 -0.52 0.00 0.00 52.55 54.37 1xym s ASP 534 Cb -0.15 -2.58 0.91 0.00 -1.46 0.00 0.00 42.92 39.64 1xym s ASP 534 CO 0.19 -0.29 1.85 -0.65 0.52 0.00 0.00 175.17 176.79 1xym h PRO 535 N 6.38 0.57 -0.43 4.34 0.11 -1.97 -1.85 132.00 139.15 1xym h PRO 535 Ca -0.42 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.61 1xym h PRO 535 Cb 1.22 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 1xym h PRO 535 CO 0.76 0.38 0.09 0.28 -0.21 0.00 0.00 178.00 179.30 1xym h VAL 536 N 0.59 1.24 -0.83 3.15 2.07 -1.92 -0.17 116.25 120.38 1xym h VAL 536 Ca 0.48 -0.84 0.03 0.00 0.82 0.00 0.00 66.70 67.19 1xym h VAL 536 Cb 0.93 0.96 -0.05 0.00 -1.52 0.00 0.00 31.29 31.62 1xym h VAL 536 CO -0.22 0.29 0.54 -0.08 0.02 0.00 0.00 177.57 178.12 1xym h GLU 537 N 0.56 1.03 -0.33 1.57 4.81 -1.76 -1.80 114.58 118.66 1xym h GLU 537 Ca 0.13 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.26 1xym h GLU 537 Cb 0.34 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 1xym h GLU 537 CO 0.00 0.68 0.04 1.15 -0.73 0.00 0.00 179.01 180.16 1xym h THR 538 N 1.06 1.24 -0.48 0.32 2.02 -0.78 -0.96 112.91 115.34 1xym h THR 538 Ca 0.32 -0.85 0.04 0.00 0.77 0.00 0.00 66.41 66.69 1xym h THR 538 Cb -0.03 1.16 -0.04 0.00 -1.74 0.00 0.00 68.15 67.50 1xym h THR 538 CO -0.10 0.28 0.25 0.58 0.37 0.00 0.00 175.52 176.90 1xym h VAL 539 N 0.38 0.99 0.23 3.16 2.07 -0.79 -0.32 116.25 121.96 1xym h VAL 539 Ca 0.10 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.44 1xym h VAL 539 Cb 0.37 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 30.58 1xym h VAL 539 CO 0.01 0.09 -0.11 1.56 0.02 0.00 0.00 177.57 179.14 1xym h GLN 540 N 0.50 -0.30 -0.11 1.57 4.20 -1.14 -1.84 115.11 117.99 1xym h GLN 540 Ca 0.20 0.02 -0.06 0.00 0.06 0.00 0.00 58.65 58.88 1xym h GLN 540 Cb 0.09 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 1xym h GLN 540 CO -0.13 0.03 -0.20 0.00 -0.67 0.00 0.00 178.83 177.86 1xym h ARG 541 N -0.66 0.18 -0.44 1.46 -0.00 -1.15 -2.24 114.38 111.52 1xym h ARG 541 Ca -0.03 -0.05 -0.12 0.00 -0.50 0.00 0.00 59.98 59.29 1xym h ARG 541 Cb 0.47 -0.02 -0.01 0.00 0.00 0.00 0.00 29.97 30.40 1xym h ARG 541 CO 0.05 0.38 -0.19 -0.07 0.00 0.00 0.00 179.97 180.14 1xym h LEU 542 N 0.16 0.88 -0.81 3.04 3.38 -0.99 -1.61 115.31 119.36 1xym h LEU 542 Ca 0.03 -0.31 -0.08 0.00 0.09 0.00 0.00 57.88 57.61 1xym h LEU 542 Cb 0.45 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 1xym h LEU 542 CO 0.03 1.05 0.06 0.00 0.09 0.00 0.00 178.44 179.66 1xym h ALA 543 N 1.02 1.01 0.00 1.53 0.00 -1.11 -1.28 119.26 120.44 1xym h ALA 543 Ca 0.11 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.69 1xym h ALA 543 Cb 0.72 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1xym h ALA 543 CO 0.06 0.62 -0.29 0.93 0.00 0.00 0.00 179.25 180.56 1xym h GLU 544 N 0.89 0.00 0.00 0.00 5.08 -1.18 -2.51 114.58 116.86 1xym h GLU 544 Ca 0.17 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1xym h GLU 544 Cb 0.44 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.69 1xym h GLU 544 CO 0.02 0.29 0.00 1.28 -1.00 0.00 0.00 179.01 179.60 1xym n LEU 545 N -4.04 0.32 0.00 1.33 4.32 -0.56 -4.90 117.00 113.48 1xym n LEU 545 Ca -0.02 0.54 0.00 0.00 -0.02 0.00 0.00 56.01 56.51 1xym n LEU 545 Cb 0.35 -0.45 0.00 0.00 -1.62 0.00 0.00 43.42 41.71 1xym n LEU 545 CO 0.37 -0.13 0.00 0.61 -1.22 0.00 0.00 177.39 177.02 1xym n GLY 546 N 1.16 1.04 3.78 -0.72 0.00 -0.94 -4.65 105.19 104.85 1xym n GLY 546 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 1xym n GLY 546 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xym s ALA 547 N -2.00 2.70 -0.13 4.61 0.00 -0.76 -2.98 121.76 123.20 1xym s ALA 547 Ca 0.00 0.64 0.17 0.00 0.00 0.00 0.00 51.96 52.77 1xym s ALA 547 Cb 0.00 -3.30 -0.13 0.00 0.00 0.00 0.00 23.12 19.68 1xym s ALA 547 CO 0.00 -0.78 0.82 1.58 0.00 0.00 0.00 175.76 177.38 1xym n HIS 548 N -1.60 0.98 -3.98 0.00 -0.00 0.47 -4.46 115.22 106.63 1xym n HIS 548 Ca 0.10 0.32 0.01 0.00 0.46 0.00 0.00 57.72 58.62 1xym n HIS 548 Cb 0.52 -1.08 0.01 0.00 -0.12 0.00 0.00 29.99 29.32 1xym n HIS 548 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1xym n GLY 549 N 1.39 0.32 3.20 1.57 0.00 -1.22 -2.12 105.19 108.33 1xym n GLY 549 Ca -0.09 -1.07 -0.15 0.00 0.00 0.00 0.00 46.02 44.71 1xym n GLY 549 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1xym s VAL 550 N -2.03 1.04 0.28 1.61 -7.23 -0.76 -2.62 120.40 110.70 1xym s VAL 550 Ca 0.28 -1.71 0.07 0.00 -1.81 0.00 0.00 61.98 58.81 1xym s VAL 550 Cb -0.01 -1.46 -0.06 0.00 0.56 0.00 0.00 36.38 35.41 1xym s VAL 550 CO 0.01 -0.56 -0.07 0.42 -0.31 0.00 0.00 175.10 174.60 1xym s THR 551 N -2.50 1.69 -0.01 5.32 -4.23 -0.56 -4.03 115.64 111.33 1xym s THR 551 Ca 0.08 -2.14 -0.19 0.00 -1.18 0.00 0.00 61.69 58.26 1xym s THR 551 Cb -0.03 -2.45 0.04 0.00 1.34 0.00 0.00 72.50 71.40 1xym s THR 551 CO 0.01 -0.30 0.41 0.72 -0.54 0.00 0.00 174.62 174.91 1xym s PHE 552 N -2.98 -0.29 0.25 3.99 -0.71 -1.24 -1.12 117.98 115.88 1xym s PHE 552 Ca 0.29 0.42 -0.18 0.00 -1.04 0.00 0.00 56.93 56.43 1xym s PHE 552 Cb 0.03 0.19 -0.08 0.00 -1.21 0.00 0.00 43.02 41.95 1xym s PHE 552 CO 0.12 -0.48 0.71 -1.01 -1.34 0.00 0.00 175.22 173.22 1xym s HIS 553 N -1.60 3.55 0.21 3.49 3.76 -1.26 -1.03 115.29 122.42 1xym s HIS 553 Ca -0.11 1.30 -0.14 0.00 -0.15 0.00 0.00 55.06 55.96 1xym s HIS 553 Cb -0.03 -2.57 0.24 0.00 1.11 0.00 0.00 32.58 31.33 1xym s HIS 553 CO 0.04 0.26 1.61 0.38 -0.85 0.00 0.00 174.74 176.18 1xym h ASP 554 N 3.03 -0.74 0.57 1.40 2.03 -1.76 -1.51 116.42 119.44 1xym h ASP 554 Ca -0.48 0.21 0.00 0.00 -0.73 0.00 0.00 57.03 56.03 1xym h ASP 554 Cb 1.19 0.45 0.00 0.00 -0.83 0.00 0.00 39.33 40.14 1xym h ASP 554 CO 0.65 -0.24 0.00 0.47 -1.03 0.00 0.00 179.24 179.09 1xym n ASP 555 N -5.45 0.05 0.12 4.15 8.00 -1.26 -1.27 116.55 120.88 1xym n ASP 555 Ca 0.08 0.51 -0.02 0.00 0.71 0.00 0.00 54.79 56.07 1xym n ASP 555 Cb 0.35 -0.52 0.10 0.00 -0.02 0.00 0.00 41.12 41.03 1xym n ASP 555 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 1xym h ASP 556 N 0.00 0.00 0.04 -2.24 3.32 -1.67 -3.37 116.42 112.50 1xym h ASP 556 Ca 0.00 0.00 -0.38 0.00 0.02 0.00 0.00 57.03 56.67 1xym h ASP 556 Cb 0.28 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.78 1xym h ASP 556 CO 0.00 0.69 -2.32 -0.11 -1.72 0.00 0.00 179.24 175.78 1xym n LEU 557 N -3.63 2.81 -4.06 1.55 7.94 -0.40 -4.84 117.00 116.37 1xym n LEU 557 Ca -0.01 -0.00 -0.32 0.00 -1.11 0.00 0.00 56.01 54.57 1xym n LEU 557 Cb 0.70 -0.97 -0.15 0.00 0.53 0.00 0.00 43.42 43.53 1xym n LEU 557 CO 0.43 0.88 -0.43 -0.63 -1.11 0.00 0.00 177.39 176.53 1xym s ILE 558 N -2.53 2.19 0.31 1.96 1.01 -0.45 -4.84 121.20 118.85 1xym s ILE 558 Ca -0.32 -1.78 -0.29 0.00 0.00 0.00 0.00 60.65 58.27 1xym s ILE 558 Cb 0.09 -2.36 -0.13 0.00 0.01 0.00 0.00 42.46 40.07 1xym s ILE 558 CO 0.64 -0.14 1.28 -0.81 0.00 0.00 0.00 174.94 175.91 1xym n PRO 559 N 4.40 2.00 -1.62 2.79 -0.04 -1.26 -4.13 135.00 137.13 1xym n PRO 559 Ca -0.10 0.70 -0.44 0.00 -0.04 0.00 0.00 63.50 63.62 1xym n PRO 559 Cb 0.42 -2.28 -0.01 0.00 -0.04 0.00 0.00 33.50 31.59 1xym n PRO 559 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1xym n PHE 560 N 0.72 1.60 -1.30 0.54 -0.00 -1.26 -2.08 117.46 115.68 1xym n PHE 560 Ca 0.07 0.65 -0.06 0.00 -0.00 0.00 0.00 57.45 58.11 1xym n PHE 560 Cb 0.34 -2.31 -0.02 0.00 -0.00 0.00 0.00 39.48 37.49 1xym n PHE 560 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1xym n GLY 561 N 1.11 0.74 3.76 7.13 0.00 -1.26 -5.02 105.19 111.66 1xym n GLY 561 Ca 0.08 -0.77 -0.36 0.00 0.00 0.00 0.00 46.02 44.98 1xym n GLY 561 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xym s SER 562 N -2.91 5.39 0.68 1.61 0.01 -0.88 -5.02 113.70 112.58 1xym s SER 562 Ca 0.00 2.30 -0.11 0.00 1.31 0.00 0.00 55.95 59.45 1xym s SER 562 Cb 0.00 -2.59 -0.00 0.00 0.21 0.00 0.00 66.02 63.64 1xym s SER 562 CO 0.00 -1.45 1.07 -0.94 0.41 0.00 0.00 173.24 172.33 1xym s SER 563 N -1.68 5.67 0.41 2.44 1.04 -1.26 -4.87 113.70 115.45 1xym s SER 563 Ca 0.75 1.25 0.07 0.00 0.48 0.00 0.00 55.95 58.51 1xym s SER 563 Cb -0.28 -2.13 0.86 0.00 0.10 0.00 0.00 66.02 64.57 1xym s SER 563 CO 0.31 -1.21 2.04 -0.78 0.98 0.00 0.00 173.24 174.58 1xym h ASP 564 N -0.56 0.49 0.32 7.02 3.58 -1.99 -0.86 116.42 124.41 1xym h ASP 564 Ca -0.45 -0.01 -0.25 0.00 0.42 0.00 0.00 57.03 56.74 1xym h ASP 564 Cb 1.23 -0.12 0.01 0.00 1.72 0.00 0.00 39.33 42.17 1xym h ASP 564 CO 0.63 0.35 -1.06 0.71 -2.88 0.00 0.00 179.24 176.99 1xym h THR 565 N 0.57 1.38 -0.96 2.25 1.35 -2.00 -2.07 112.91 113.45 1xym h THR 565 Ca 0.18 -2.53 0.01 0.00 -0.55 0.00 0.00 66.41 63.52 1xym h THR 565 Cb 0.03 2.55 -0.05 0.00 -1.73 0.00 0.00 68.15 68.95 1xym h THR 565 CO -0.04 0.76 0.63 -0.33 -0.25 0.00 0.00 175.52 176.28 1xym h GLU 566 N 0.23 1.27 0.06 4.72 5.08 -1.80 -1.80 114.58 122.34 1xym h GLU 566 Ca -0.11 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.16 1xym h GLU 566 Cb 1.71 -0.28 0.00 0.00 0.50 0.00 0.00 28.75 30.68 1xym h GLU 566 CO 0.19 0.84 -0.03 -0.09 -1.00 0.00 0.00 179.01 178.92 1xym h ARG 567 N 1.30 -0.08 -0.98 2.33 2.43 -1.07 -1.20 114.38 117.13 1xym h ARG 567 Ca 0.35 0.01 0.10 0.00 -0.81 0.00 0.00 59.98 59.63 1xym h ARG 567 Cb -0.14 0.02 -0.08 0.00 -0.42 0.00 0.00 29.97 29.35 1xym h ARG 567 CO -0.07 0.05 0.61 1.49 -1.51 0.00 0.00 179.97 180.54 1xym h GLU 568 N -0.18 0.99 -0.00 0.20 4.22 -1.15 -0.76 114.58 117.90 1xym h GLU 568 Ca -0.01 -0.06 -0.00 0.00 0.08 0.00 0.00 59.36 59.37 1xym h GLU 568 Cb 0.16 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.18 1xym h GLU 568 CO 0.01 0.66 0.00 1.03 -2.18 0.00 0.00 179.01 178.53 1xym h SER 569 N 1.02 0.00 -0.67 1.04 0.87 -1.10 -1.18 113.55 113.53 1xym h SER 569 Ca 0.46 -0.17 -0.05 0.00 -1.23 0.00 0.00 61.79 60.81 1xym h SER 569 Cb 0.37 -0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.30 1xym h SER 569 CO -0.23 0.17 0.23 0.45 -0.53 0.00 0.00 176.83 176.91 1xym h HIS 570 N -0.16 1.09 -0.27 2.24 3.86 -0.35 -2.67 115.15 118.89 1xym h HIS 570 Ca 0.00 -0.10 -0.14 0.00 -1.16 0.00 0.00 60.37 58.98 1xym h HIS 570 Cb 0.17 -0.32 -0.01 0.00 1.06 0.00 0.00 27.41 28.31 1xym h HIS 570 CO -0.02 0.86 -0.39 0.82 0.86 0.00 0.00 177.93 180.05 1xym h ILE 571 N 1.02 1.29 0.86 2.45 2.04 -1.17 -3.00 117.51 121.01 1xym h ILE 571 Ca 0.23 -1.56 -0.04 0.00 1.00 0.00 0.00 64.86 64.49 1xym h ILE 571 Cb 0.27 1.52 0.00 0.00 -0.74 0.00 0.00 36.82 37.87 1xym h ILE 571 CO -0.01 0.50 -0.45 0.50 0.00 0.00 0.00 178.15 178.69 1xym h LYS 572 N 0.52 -1.16 -0.80 2.37 3.64 -0.92 -1.38 116.57 118.83 1xym h LYS 572 Ca 0.05 0.08 0.12 0.00 -1.27 0.00 0.00 60.65 59.62 1xym h LYS 572 Cb 0.91 0.26 -0.06 0.00 -0.41 0.00 0.00 32.23 32.94 1xym h LYS 572 CO 0.08 -0.77 0.52 0.00 -2.27 0.00 0.00 179.45 177.01 1xym h ARG 573 N -1.20 0.63 -0.08 1.90 3.08 -1.55 -1.35 114.38 115.81 1xym h ARG 573 Ca -0.12 -0.04 -0.10 0.00 0.07 0.00 0.00 59.98 59.79 1xym h ARG 573 Cb 0.94 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.85 1xym h ARG 573 CO 0.17 0.42 -0.36 0.35 -1.07 0.00 0.00 179.97 179.48 1xym h PHE 574 N 0.65 0.51 -0.40 3.04 3.57 -1.46 -2.35 116.94 120.50 1xym h PHE 574 Ca 0.38 -0.22 0.06 0.00 3.53 0.00 0.00 57.97 61.72 1xym h PHE 574 Cb 0.59 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.23 1xym h PHE 574 CO -0.00 0.97 0.27 -0.09 -2.23 0.00 0.00 178.31 177.23 1xym h ARG 575 N -0.09 0.29 -0.16 1.11 2.43 -0.86 -1.01 114.38 116.08 1xym h ARG 575 Ca -0.02 -0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 59.03 1xym h ARG 575 Cb 1.01 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.50 1xym h ARG 575 CO 0.07 0.19 -0.31 0.37 -1.51 0.00 0.00 179.97 178.79 1xym h GLN 576 N 0.30 0.49 -0.38 0.20 -0.00 -1.19 -2.28 115.11 112.24 1xym h GLN 576 Ca 0.18 -0.31 -0.09 0.00 -0.00 0.00 0.00 58.65 58.42 1xym h GLN 576 Cb 0.32 0.04 -0.02 0.00 0.00 0.00 0.00 27.48 27.82 1xym h GLN 576 CO -0.04 0.92 -0.14 0.00 0.00 0.00 0.00 178.83 179.57 1xym h ALA 577 N 0.56 1.05 0.03 3.38 0.00 -0.77 -2.09 119.26 121.43 1xym h ALA 577 Ca 0.01 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1xym h ALA 577 Cb 0.90 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 1xym h ALA 577 CO 0.07 0.58 -0.03 -0.07 0.00 0.00 0.00 179.25 179.79 1xym h LEU 578 N 0.62 -0.09 -0.78 0.00 4.07 -1.21 -2.06 115.31 115.86 1xym h LEU 578 Ca 0.10 0.01 -0.01 0.00 0.08 0.00 0.00 57.88 58.06 1xym h LEU 578 Cb 0.59 0.03 -0.04 0.00 1.08 0.00 0.00 40.66 42.32 1xym h LEU 578 CO 0.04 -0.05 0.43 0.44 -1.08 0.00 0.00 178.44 178.22 1xym h ASP 579 N -0.08 0.97 1.13 -0.43 3.32 -1.33 -0.45 116.42 119.55 1xym h ASP 579 Ca 0.00 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 56.96 1xym h ASP 579 Cb 0.07 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.38 1xym h ASP 579 CO -0.01 0.79 0.00 0.00 -1.72 0.00 0.00 179.24 178.30 1xym h ALA 580 N 1.22 1.00 0.00 3.45 0.00 -1.25 -3.26 119.26 120.42 1xym h ALA 580 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1xym h ALA 580 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1xym h ALA 580 CO -0.04 0.00 -1.42 0.25 0.00 0.00 0.00 179.25 178.04 1xym n THR 581 N -3.09 0.00 -0.97 0.00 -2.24 -0.79 -4.99 114.28 102.20 1xym n THR 581 Ca 0.01 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.50 1xym n THR 581 Cb 0.33 0.40 0.00 0.00 -2.10 0.00 0.00 70.33 68.96 1xym n THR 581 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xym n GLY 582 N 1.54 0.61 3.77 3.38 0.00 -0.22 -5.04 105.19 109.23 1xym n GLY 582 Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 1xym n GLY 582 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1xym s MET 583 N -0.03 4.38 0.36 1.61 -1.94 -1.15 -4.98 119.30 117.55 1xym s MET 583 Ca 0.00 1.79 0.07 0.00 -1.71 0.00 0.00 55.69 55.84 1xym s MET 583 Cb 0.00 -2.93 -0.02 0.00 2.01 0.00 0.00 34.83 33.89 1xym s MET 583 CO 0.00 -0.02 0.34 0.95 -0.01 0.00 0.00 175.02 176.29 1xym s THR 584 N -1.32 3.38 -0.47 2.05 -4.23 -0.90 -4.73 115.64 109.40 1xym s THR 584 Ca 0.50 -1.31 0.04 0.00 -1.18 0.00 0.00 61.69 59.75 1xym s THR 584 Cb -0.30 -3.16 0.12 0.00 1.34 0.00 0.00 72.50 70.50 1xym s THR 584 CO 0.39 -0.13 0.21 -0.69 -0.54 0.00 0.00 174.62 173.86 1xym s VAL 585 N -2.33 2.48 -0.08 2.29 1.01 -1.26 -1.82 120.40 120.69 1xym s VAL 585 Ca 0.44 -3.07 0.25 0.00 0.00 0.00 0.00 61.98 59.60 1xym s VAL 585 Cb -0.06 -2.75 0.28 0.00 0.00 0.00 0.00 36.38 33.85 1xym s VAL 585 CO 0.28 -0.75 1.75 -0.65 0.00 0.00 0.00 175.10 175.72 1xym h PRO 586 N 6.77 0.00 -2.51 2.72 0.11 -1.85 -2.94 132.00 134.30 1xym h PRO 586 Ca -0.07 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.97 1xym h PRO 586 Cb 0.92 0.00 -0.18 0.00 0.11 0.00 0.00 31.00 31.85 1xym h PRO 586 CO 0.64 0.15 0.02 1.41 -0.21 0.00 0.00 178.00 180.01 1xym s MET 587 N -3.43 0.95 0.22 1.05 -2.45 -1.26 -1.58 119.30 112.80 1xym s MET 587 Ca 0.03 -0.01 -0.06 0.00 -1.25 0.00 0.00 55.69 54.39 1xym s MET 587 Cb 0.08 0.44 -0.02 0.00 1.25 0.00 0.00 34.83 36.57 1xym s MET 587 CO 0.64 -0.31 0.28 0.00 1.05 0.00 0.00 175.02 176.68 1xym s ALA 588 N -1.62 0.51 0.35 4.11 0.00 -1.07 -3.67 121.76 120.38 1xym s ALA 588 Ca -0.10 -1.31 -0.12 0.00 0.00 0.00 0.00 51.96 50.44 1xym s ALA 588 Cb -0.02 1.21 0.03 0.00 0.00 0.00 0.00 23.12 24.35 1xym s ALA 588 CO 0.05 -0.70 0.65 -0.08 0.00 0.00 0.00 175.76 175.68 1xym s THR 589 N -4.09 0.00 0.01 0.00 -1.32 -0.20 -1.31 115.64 108.74 1xym s THR 589 Ca 0.30 -1.23 0.06 0.00 -1.21 0.00 0.00 61.69 59.61 1xym s THR 589 Cb 0.04 -2.64 -0.03 0.00 -1.51 0.00 0.00 72.50 68.35 1xym s THR 589 CO 0.10 0.00 -0.17 -0.89 -2.21 0.00 0.00 174.62 171.45 1xym s THR 590 N -2.89 2.87 -0.56 5.08 2.01 -1.26 -2.10 115.64 118.79 1xym s THR 590 Ca 0.20 -1.04 -0.23 0.00 0.31 0.00 0.00 61.69 60.94 1xym s THR 590 Cb -0.03 -2.18 0.05 0.00 0.01 0.00 0.00 72.50 70.35 1xym s THR 590 CO 0.13 0.42 0.90 0.21 -0.69 0.00 0.00 174.62 175.59 1xym s ASN 591 N -1.21 6.29 -0.37 3.53 3.84 -1.26 -4.86 114.94 120.90 1xym s ASN 591 Ca 0.14 -0.56 0.06 0.00 0.21 0.00 0.00 52.86 52.71 1xym s ASN 591 Cb -0.11 -2.41 0.47 0.00 -0.55 0.00 0.00 41.25 38.65 1xym s ASN 591 CO 0.04 -1.22 1.43 0.18 -2.79 0.00 0.00 177.10 174.74 1xym n LEU 592 N 7.31 5.25 0.00 3.21 4.77 -1.26 -4.69 117.00 131.59 1xym n LEU 592 Ca -0.01 -4.42 0.00 0.00 -0.03 0.00 0.00 56.01 51.55 1xym n LEU 592 Cb 0.47 -0.54 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 1xym n LEU 592 CO 0.62 1.78 0.00 2.22 -1.33 0.00 0.00 177.39 180.68 1xym n PHE 593 N -0.86 0.00 0.09 -1.77 1.16 -1.26 -4.51 117.46 110.31 1xym n PHE 593 Ca 0.45 0.00 -0.23 0.00 -1.87 0.00 0.00 57.45 55.79 1xym n PHE 593 Cb 0.90 0.00 -0.15 0.00 -1.61 0.00 0.00 39.48 38.62 1xym n PHE 593 CO 0.00 0.00 0.00 1.15 -1.87 0.00 0.00 176.76 176.04 1xym h THR 594 N 0.00 1.07 -3.88 1.97 2.02 -1.94 -3.46 112.91 108.69 1xym h THR 594 Ca 0.00 -2.56 -0.51 0.00 0.77 0.00 0.00 66.41 64.10 1xym h THR 594 Cb 0.00 2.87 0.05 0.00 -1.74 0.00 0.00 68.15 69.33 1xym h THR 594 CO 0.00 0.83 0.57 -2.28 0.37 0.00 0.00 175.52 175.00 1xym s HIS 595 N -2.57 3.16 0.45 3.16 2.46 -1.26 -4.92 115.29 115.77 1xym s HIS 595 Ca -0.14 1.52 0.25 0.00 0.47 0.00 0.00 55.06 57.15 1xym s HIS 595 Cb 0.05 -3.52 1.26 0.00 -0.13 0.00 0.00 32.58 30.24 1xym s HIS 595 CO 0.88 -1.43 1.78 -1.35 -2.47 0.00 0.00 174.74 172.14 1xym h PRO 596 N 3.26 0.24 -0.16 2.88 0.11 -2.03 -1.25 132.00 135.06 1xym h PRO 596 Ca -0.48 -0.01 0.05 0.00 0.11 0.00 0.00 66.00 65.66 1xym h PRO 596 Cb 1.23 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 1xym h PRO 596 CO 0.65 0.16 0.16 -0.24 -0.21 0.00 0.00 178.00 178.52 1xym h VAL 597 N 0.25 0.54 -0.40 3.15 3.04 -1.97 -0.82 116.25 120.04 1xym h VAL 597 Ca 0.59 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.28 1xym h VAL 597 Cb 1.78 0.87 0.00 0.00 -2.01 0.00 0.00 31.29 31.93 1xym h VAL 597 CO -0.21 0.00 0.00 0.49 -1.01 0.00 0.00 177.57 176.84 1xym n PHE 598 N -3.91 1.09 0.29 3.17 3.72 -0.47 -4.45 117.46 116.91 1xym n PHE 598 Ca 0.01 -0.41 0.15 0.00 -0.05 0.00 0.00 57.45 57.15 1xym n PHE 598 Cb 0.28 -0.24 0.90 0.00 -0.94 0.00 0.00 39.48 39.49 1xym n PHE 598 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 1xym h LYS 599 N 2.62 0.00 -0.40 -1.08 2.10 -1.30 -0.03 116.57 118.48 1xym h LYS 599 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1xym h LYS 599 Cb 1.16 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.49 1xym h LYS 599 CO 0.21 0.03 0.00 -3.47 -2.00 0.00 0.00 179.45 174.21 1xym n ASP 600 N -3.74 4.29 0.00 7.07 2.03 -1.26 -5.04 116.55 119.90 1xym n ASP 600 Ca -0.03 -2.78 0.00 0.00 0.52 0.00 0.00 54.79 52.50 1xym n ASP 600 Cb 0.11 -0.54 0.00 0.00 -0.72 0.00 0.00 41.12 39.98 1xym n ASP 600 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1xym n GLY 601 N 0.10 0.83 0.00 0.27 0.00 -0.02 -3.74 105.19 102.63 1xym n GLY 601 Ca 0.22 -2.25 0.00 0.00 0.00 0.00 0.00 46.02 43.99 1xym n GLY 601 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xym n GLY 602 N -0.61 0.20 0.29 -0.02 0.00 -1.26 -4.36 105.19 99.43 1xym n GLY 602 Ca 0.00 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.19 1xym n GLY 602 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1xym h PHE 603 N 0.00 0.00 0.00 1.61 0.04 -1.91 -2.95 116.94 113.73 1xym h PHE 603 Ca 0.00 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.77 1xym h PHE 603 Cb 0.00 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.14 1xym h PHE 603 CO 0.00 0.04 -0.13 0.25 -0.60 0.00 0.00 178.31 177.88 1xym n THR 604 N -3.34 1.63 -1.74 -1.55 -2.24 -1.26 -4.38 114.28 101.40 1xym n THR 604 Ca -0.02 -2.02 -0.41 0.00 -2.27 0.00 0.00 64.05 59.32 1xym n THR 604 Cb 0.19 -0.12 0.00 0.00 -2.10 0.00 0.00 70.33 68.30 1xym n THR 604 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xym n ALA 605 N -1.19 1.79 0.03 6.98 0.00 -1.11 -4.86 120.51 122.15 1xym n ALA 605 Ca 0.14 0.32 0.04 0.00 0.00 0.00 0.00 53.44 53.94 1xym n ALA 605 Cb 0.66 -2.34 0.43 0.00 0.00 0.00 0.00 19.45 18.20 1xym n ALA 605 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1xym h ASN 606 N 2.59 0.41 -2.86 0.00 2.35 -1.94 -3.42 115.58 112.72 1xym h ASN 606 Ca -0.49 -0.02 -0.56 0.00 -0.55 0.00 0.00 56.30 54.68 1xym h ASN 606 Cb 1.27 -0.10 -0.03 0.00 0.05 0.00 0.00 38.32 39.50 1xym h ASN 606 CO 0.62 0.34 0.97 -1.81 -1.65 0.00 0.00 177.43 175.90 1xym s ASP 607 N -6.74 6.81 0.28 5.81 1.01 -1.26 -4.95 116.67 117.63 1xym s ASP 607 Ca -0.08 1.74 -0.00 0.00 0.71 0.00 0.00 52.55 54.93 1xym s ASP 607 Cb 0.17 -2.54 0.50 0.00 1.01 0.00 0.00 42.92 42.06 1xym s ASP 607 CO 0.73 -0.87 1.85 -0.09 0.21 0.00 0.00 175.17 177.00 1xym h ARG 608 N 8.81 1.04 -0.32 8.23 2.43 -2.01 -2.93 114.38 129.62 1xym h ARG 608 Ca -0.30 -0.06 -0.13 0.00 -0.81 0.00 0.00 59.98 58.68 1xym h ARG 608 Cb 1.12 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 30.43 1xym h ARG 608 CO 0.98 0.69 -0.34 0.38 -1.51 0.00 0.00 179.97 180.16 1xym h ASP 609 N 1.07 0.75 -0.68 -3.80 2.03 -1.96 -2.07 116.42 111.75 1xym h ASP 609 Ca 0.47 -0.31 -0.06 0.00 -0.73 0.00 0.00 57.03 56.40 1xym h ASP 609 Cb 0.37 -0.21 -0.03 0.00 -0.83 0.00 0.00 39.33 38.63 1xym h ASP 609 CO -0.23 1.02 0.22 0.58 -1.03 0.00 0.00 179.24 179.80 1xym h VAL 610 N 0.60 1.25 -0.66 4.15 2.07 -1.92 -1.62 116.25 120.13 1xym h VAL 610 Ca 0.06 -0.88 -0.00 0.00 0.82 0.00 0.00 66.70 66.70 1xym h VAL 610 Cb 0.87 0.48 -0.03 0.00 -1.52 0.00 0.00 31.29 31.08 1xym h VAL 610 CO 0.08 0.34 0.39 0.03 0.02 0.00 0.00 177.57 178.43 1xym h ARG 611 N 1.04 0.89 -0.33 1.57 3.08 -1.20 0.04 114.38 119.46 1xym h ARG 611 Ca 0.23 -0.08 -0.12 0.00 0.07 0.00 0.00 59.98 60.08 1xym h ARG 611 Cb 0.29 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 1xym h ARG 611 CO -0.01 0.63 -0.27 0.00 -1.07 0.00 0.00 179.97 179.25 1xym h ARG 612 N 0.90 0.77 -0.42 0.04 3.08 -1.11 -2.25 114.38 115.40 1xym h ARG 612 Ca 0.24 -0.38 -0.03 0.00 0.07 0.00 0.00 59.98 59.88 1xym h ARG 612 Cb -0.03 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.01 1xym h ARG 612 CO -0.04 1.01 0.16 -0.92 -1.07 0.00 0.00 179.97 179.10 1xym h TYR 613 N 0.55 0.65 -0.64 3.04 3.20 -0.78 -1.17 116.97 121.82 1xym h TYR 613 Ca 0.06 -0.05 0.11 0.00 3.14 0.00 0.00 58.73 61.99 1xym h TYR 613 Cb 0.84 -0.19 -0.08 0.00 1.54 0.00 0.00 36.73 38.83 1xym h TYR 613 CO 0.07 0.57 0.20 0.00 -1.64 0.00 0.00 178.16 177.36 1xym h ALA 614 N 1.01 0.81 -0.51 1.82 0.00 -0.94 -0.14 119.26 121.31 1xym h ALA 614 Ca 0.14 0.11 -0.07 0.00 0.00 0.00 0.00 54.91 55.09 1xym h ALA 614 Cb 0.21 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1xym h ALA 614 CO -0.01 -0.24 0.04 -0.07 0.00 0.00 0.00 179.25 178.97 1xym h LEU 615 N 0.35 0.84 -0.44 0.00 3.38 -0.94 -2.10 115.31 116.40 1xym h LEU 615 Ca 0.33 -0.28 -0.11 0.00 0.09 0.00 0.00 57.88 57.91 1xym h LEU 615 Cb 0.47 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1xym h LEU 615 CO -0.37 0.92 -0.16 0.03 0.09 0.00 0.00 178.44 178.95 1xym h ARG 616 N 0.74 0.89 -0.85 1.13 2.47 -0.62 -1.61 114.38 116.53 1xym h ARG 616 Ca 0.15 -0.37 0.01 0.00 -1.26 0.00 0.00 59.98 58.51 1xym h ARG 616 Cb 0.46 -0.04 -0.04 0.00 -1.65 0.00 0.00 29.97 28.70 1xym h ARG 616 CO 0.02 1.02 0.57 -0.22 0.56 0.00 0.00 179.97 181.91 1xym h LYS 617 N 0.73 1.12 -0.24 0.04 3.64 -1.05 -1.88 116.57 118.92 1xym h LYS 617 Ca 0.11 -0.07 -0.06 0.00 -1.27 0.00 0.00 60.65 59.36 1xym h LYS 617 Cb 0.72 -0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 32.28 1xym h LYS 617 CO 0.05 0.74 -0.07 1.15 -2.27 0.00 0.00 179.45 179.06 1xym h THR 618 N 1.16 1.29 -0.57 1.00 2.02 -1.23 -2.95 112.91 113.63 1xym h THR 618 Ca 0.31 -1.09 -0.05 0.00 0.77 0.00 0.00 66.41 66.35 1xym h THR 618 Cb -0.13 1.51 -0.03 0.00 -1.74 0.00 0.00 68.15 67.76 1xym h THR 618 CO -0.07 0.34 0.16 0.40 0.37 0.00 0.00 175.52 176.72 1xym h ILE 619 N 0.21 1.23 -0.48 3.11 2.04 -1.13 -1.20 117.51 121.28 1xym h ILE 619 Ca 0.06 -0.79 -0.02 0.00 1.00 0.00 0.00 64.86 65.10 1xym h ILE 619 Cb 0.54 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 37.23 1xym h ILE 619 CO 0.03 0.30 0.21 -0.09 0.00 0.00 0.00 178.15 178.59 1xym h ARG 620 N 0.83 0.70 0.00 2.37 2.43 -1.35 -2.35 114.38 117.01 1xym h ARG 620 Ca 0.19 -0.12 -0.05 0.00 -0.81 0.00 0.00 59.98 59.18 1xym h ARG 620 Cb 0.27 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 1xym h ARG 620 CO -0.01 0.62 -0.25 -0.97 -1.51 0.00 0.00 179.97 177.85 1xym h ASN 621 N 0.63 0.00 -0.63 -3.80 -1.24 -1.28 -2.89 115.58 106.37 1xym h ASN 621 Ca 0.16 0.00 -0.07 0.00 0.71 0.00 0.00 56.30 57.10 1xym h ASN 621 Cb 0.16 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.19 1xym h ASN 621 CO -0.02 0.25 0.12 0.40 -1.29 0.00 0.00 177.43 176.90 1xym h ILE 622 N 0.00 1.26 -0.54 2.57 2.04 -0.72 -0.73 117.51 121.39 1xym h ILE 622 Ca -0.00 -0.98 0.02 0.00 1.00 0.00 0.00 64.86 64.90 1xym h ILE 622 Cb 0.88 0.68 -0.03 0.00 -0.74 0.00 0.00 36.82 37.60 1xym h ILE 622 CO 0.03 0.37 0.34 0.44 0.00 0.00 0.00 178.15 179.32 1xym h ASP 623 N 0.94 0.56 -0.26 1.72 3.32 -1.26 -2.08 116.42 119.37 1xym h ASP 623 Ca 0.19 -0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.19 1xym h ASP 623 Cb 0.40 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 1xym h ASP 623 CO 0.01 0.40 -0.02 0.25 -1.72 0.00 0.00 179.24 178.16 1xym h LEU 624 N 0.67 0.46 -0.55 1.55 5.85 -1.38 -2.85 115.31 119.07 1xym h LEU 624 Ca 0.21 -0.33 0.09 0.00 0.84 0.00 0.00 57.88 58.69 1xym h LEU 624 Cb -0.02 -0.12 -0.07 0.00 0.37 0.00 0.00 40.66 40.82 1xym h LEU 624 CO -0.08 0.68 0.17 0.00 -0.34 0.00 0.00 178.44 178.87 1xym h ALA 625 N 0.80 0.67 -0.53 1.25 0.00 -0.90 -2.11 119.26 118.44 1xym h ALA 625 Ca 0.07 0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.10 1xym h ALA 625 Cb 0.45 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 1xym h ALA 625 CO 0.02 -0.24 0.30 0.28 0.00 0.00 0.00 179.25 179.61 1xym h VAL 626 N 0.34 1.01 -0.92 0.00 2.07 -1.37 -0.51 116.25 116.87 1xym h VAL 626 Ca 0.28 -0.20 0.05 0.00 0.82 0.00 0.00 66.70 67.64 1xym h VAL 626 Cb 0.34 0.37 -0.06 0.00 -1.52 0.00 0.00 31.29 30.42 1xym h VAL 626 CO -0.30 0.11 0.59 -0.33 0.02 0.00 0.00 177.57 177.66 1xym h GLU 627 N 0.59 1.07 0.00 1.57 5.08 -1.21 -0.17 114.58 121.51 1xym h GLU 627 Ca 0.22 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 1xym h GLU 627 Cb 0.07 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.08 1xym h GLU 627 CO -0.12 0.71 0.00 1.28 -1.00 0.00 0.00 179.01 179.88 1xym n LEU 628 N -4.54 0.00 0.00 1.33 4.32 -0.83 -4.92 117.00 112.35 1xym n LEU 628 Ca 0.13 0.16 0.00 0.00 -0.02 0.00 0.00 56.01 56.28 1xym n LEU 628 Cb 0.15 -0.16 0.00 0.00 -1.62 0.00 0.00 43.42 41.79 1xym n LEU 628 CO 0.33 -0.01 0.00 0.61 -1.22 0.00 0.00 177.39 177.10 1xym n GLY 629 N 1.02 0.74 3.75 -0.72 0.00 -0.08 -4.44 105.19 105.46 1xym n GLY 629 Ca 0.18 -0.36 -0.41 0.00 0.00 0.00 0.00 46.02 45.43 1xym n GLY 629 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xym s ALA 630 N -2.00 3.45 -1.59 4.61 0.00 -0.27 -4.73 121.76 121.23 1xym s ALA 630 Ca 0.00 0.99 0.14 0.00 0.00 0.00 0.00 51.96 53.09 1xym s ALA 630 Cb 0.00 -3.41 0.17 0.00 0.00 0.00 0.00 23.12 19.88 1xym s ALA 630 CO 0.00 -0.37 1.02 1.63 0.00 0.00 0.00 175.76 178.04 1xym n LYS 631 N 1.93 1.33 -4.13 0.00 4.01 -0.61 -4.56 118.16 116.12 1xym n LYS 631 Ca 0.02 -1.51 -0.17 0.00 -0.51 0.00 0.00 58.31 56.15 1xym n LYS 631 Cb 0.44 -1.28 -0.15 0.00 -0.51 0.00 0.00 35.03 33.53 1xym n LYS 631 CO 0.00 0.00 0.00 0.99 -1.11 0.00 0.00 177.40 177.28 1xym s THR 632 N -1.11 0.41 -0.20 -0.18 2.01 -1.16 -2.22 115.64 113.19 1xym s THR 632 Ca 0.19 -0.14 0.01 0.00 0.31 0.00 0.00 61.69 62.05 1xym s THR 632 Cb 0.12 -0.40 0.02 0.00 0.01 0.00 0.00 72.50 72.25 1xym s THR 632 CO 0.18 0.15 -0.16 -0.47 -0.69 0.00 0.00 174.62 173.64 1xym s TYR 633 N 0.38 2.90 0.20 4.92 5.04 0.27 -2.59 117.35 128.47 1xym s TYR 633 Ca -0.04 -1.67 -0.13 0.00 -2.44 0.00 0.00 57.07 52.79 1xym s TYR 633 Cb -0.08 -1.96 -0.07 0.00 0.35 0.00 0.00 41.96 40.20 1xym s TYR 633 CO -0.00 -0.78 0.59 0.08 -1.34 0.00 0.00 175.55 174.09 1xym s VAL 634 N 1.29 4.83 -0.18 3.14 1.01 -0.42 -1.19 120.40 128.87 1xym s VAL 634 Ca 0.03 0.77 0.00 0.00 0.00 0.00 0.00 61.98 62.78 1xym s VAL 634 Cb -0.15 -3.69 0.04 0.00 0.00 0.00 0.00 36.38 32.58 1xym s VAL 634 CO -0.10 0.09 -0.08 0.00 0.00 0.00 0.00 175.10 175.02 1xym s ALA 635 N -1.64 1.75 -0.40 5.51 0.00 0.15 -4.28 121.76 122.85 1xym s ALA 635 Ca 0.43 -1.02 -0.06 0.00 0.00 0.00 0.00 51.96 51.31 1xym s ALA 635 Cb -0.13 -1.20 0.09 0.00 0.00 0.00 0.00 23.12 21.87 1xym s ALA 635 CO 0.20 -0.80 0.20 -0.46 0.00 0.00 0.00 175.76 174.90 1xym s TRP 636 N 1.51 3.42 -1.43 0.00 -0.00 -1.26 -0.97 118.94 120.21 1xym s TRP 636 Ca -0.00 -1.92 -0.12 0.00 -0.00 0.00 0.00 56.10 54.06 1xym s TRP 636 Cb -0.16 -2.95 0.06 0.00 -0.00 0.00 0.00 33.47 30.42 1xym s TRP 636 CO -0.08 -0.89 2.26 0.41 -0.00 0.00 0.00 176.95 178.65 1xym n GLY 637 N 4.76 4.53 0.25 5.86 0.00 -1.26 -4.77 105.19 114.56 1xym n GLY 637 Ca -0.08 -1.73 0.11 0.00 0.00 0.00 0.00 46.02 44.32 1xym n GLY 637 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1xym h GLY 638 N 8.78 0.00 -2.10 -0.02 0.00 -1.92 -2.46 103.07 105.34 1xym h GLY 638 Ca 0.58 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.91 1xym h GLY 638 CO 1.79 0.00 0.00 0.54 0.00 0.00 0.00 176.54 178.87 1xym n ARG 639 N -3.85 2.37 -2.77 4.80 5.12 -1.26 -4.08 116.66 116.99 1xym n ARG 639 Ca -0.02 -2.18 -0.43 0.00 -1.93 0.00 0.00 57.85 53.30 1xym n ARG 639 Cb 0.23 -1.47 -0.04 0.00 -1.16 0.00 0.00 32.46 30.03 1xym n ARG 639 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1xym s GLU 640 N -1.41 3.26 0.00 5.56 0.41 -0.93 -2.91 118.70 122.69 1xym s GLU 640 Ca 0.35 -0.38 0.00 0.00 -0.41 0.00 0.00 54.97 54.53 1xym s GLU 640 Cb 0.21 -4.12 0.00 0.00 -1.78 0.00 0.00 34.13 28.43 1xym s GLU 640 CO 0.29 -1.72 0.00 0.41 -0.49 0.00 0.00 175.26 173.75 1xym n GLY 641 N 5.22 -0.59 3.60 -1.39 0.00 -1.26 -1.17 105.19 109.59 1xym n GLY 641 Ca 0.01 -0.50 -0.06 0.00 0.00 0.00 0.00 46.02 45.47 1xym n GLY 641 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xym s ALA 642 N -1.00 -2.03 -0.65 4.61 0.00 -1.05 -4.87 121.76 116.77 1xym s ALA 642 Ca 0.00 1.63 0.17 0.00 0.00 0.00 0.00 51.96 53.76 1xym s ALA 642 Cb 0.00 -0.60 -0.20 0.00 0.00 0.00 0.00 23.12 22.32 1xym s ALA 642 CO 0.00 -0.43 0.66 0.39 0.00 0.00 0.00 175.76 176.37 1xym n GLU 643 N 0.28 1.20 -3.95 0.00 4.71 -1.26 -2.00 120.64 119.62 1xym n GLU 643 Ca -0.03 -0.03 -0.09 0.00 -0.01 0.00 0.00 57.16 57.00 1xym n GLU 643 Cb 0.59 -1.33 -0.10 0.00 -1.01 0.00 0.00 31.44 29.59 1xym n GLU 643 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 1xym s SER 644 N -2.89 0.23 0.17 1.62 1.04 -1.26 -4.93 113.70 107.67 1xym s SER 644 Ca 0.04 -0.60 -0.10 0.00 0.48 0.00 0.00 55.95 55.77 1xym s SER 644 Cb 0.13 0.21 0.03 0.00 0.10 0.00 0.00 66.02 66.49 1xym s SER 644 CO 0.71 -0.51 1.58 1.23 0.98 0.00 0.00 173.24 177.23 1xym h GLY 645 N 3.66 1.11 0.41 7.32 0.00 -1.95 -3.16 103.07 110.45 1xym h GLY 645 Ca -0.33 -0.91 0.00 0.00 0.00 0.00 0.00 47.33 46.10 1xym h GLY 645 CO 0.52 0.83 -0.31 0.00 0.00 0.00 0.00 176.54 177.58 1xym n ALA 646 N -2.50 3.18 0.28 3.60 0.00 -1.26 -4.03 120.51 119.78 1xym n ALA 646 Ca 0.01 -0.39 0.18 0.00 0.00 0.00 0.00 53.44 53.24 1xym n ALA 646 Cb 0.41 -1.13 0.73 0.00 0.00 0.00 0.00 19.45 19.46 1xym n ALA 646 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xym h ALA 647 N 3.53 1.00 -2.95 0.00 0.00 -1.98 -3.42 119.26 115.44 1xym h ALA 647 Ca 0.00 -0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.64 1xym h ALA 647 Cb 0.50 -0.00 -0.35 0.00 0.00 0.00 0.00 17.79 17.95 1xym h ALA 647 CO 0.00 0.00 -0.60 0.21 0.00 0.00 0.00 179.25 178.87 1xym s LYS 648 N -3.71 0.09 -0.47 0.00 2.47 -1.26 -4.99 119.74 111.87 1xym s LYS 648 Ca 0.01 0.60 -0.26 0.00 -1.56 0.00 0.00 55.97 54.76 1xym s LYS 648 Cb 0.09 -0.27 0.03 0.00 -1.46 0.00 0.00 37.83 36.22 1xym s LYS 648 CO 0.53 -0.33 0.94 0.34 0.16 0.00 0.00 175.35 176.99 1xym s ASP 649 N 2.34 6.49 0.41 1.43 -1.08 -1.26 -4.92 116.67 120.08 1xym s ASP 649 Ca 0.03 0.08 0.19 0.00 -0.52 0.00 0.00 52.55 52.33 1xym s ASP 649 Cb -0.12 -2.46 0.89 0.00 -1.46 0.00 0.00 42.92 39.78 1xym s ASP 649 CO -0.07 -1.09 1.86 0.58 0.52 0.00 0.00 175.17 176.96 1xym h VAL 650 N 6.09 0.95 -0.44 1.11 2.07 -1.98 -0.05 116.25 123.99 1xym h VAL 650 Ca -0.24 -1.17 -0.12 0.00 0.82 0.00 0.00 66.70 65.99 1xym h VAL 650 Cb 1.07 1.68 -0.02 0.00 -1.52 0.00 0.00 31.29 32.51 1xym h VAL 650 CO 1.04 0.30 -0.19 0.03 0.02 0.00 0.00 177.57 178.78 1xym h ARG 651 N 0.00 0.86 0.00 1.57 3.08 -1.99 -0.67 114.38 117.23 1xym h ARG 651 Ca -0.00 -0.34 -0.23 0.00 0.07 0.00 0.00 59.98 59.48 1xym h ARG 651 Cb 0.66 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.67 1xym h ARG 651 CO 0.04 0.97 -0.95 0.28 -1.07 0.00 0.00 179.97 179.24 1xym h VAL 652 N 0.75 1.40 -0.59 2.04 2.07 -1.85 -2.56 116.25 117.52 1xym h VAL 652 Ca 0.11 -2.46 -0.05 0.00 0.82 0.00 0.00 66.70 65.12 1xym h VAL 652 Cb 0.72 2.43 -0.03 0.00 -1.52 0.00 0.00 31.29 32.89 1xym h VAL 652 CO 0.06 0.73 0.16 0.00 0.02 0.00 0.00 177.57 178.54 1xym h ALA 653 N 0.72 1.18 -0.10 1.67 0.00 -0.89 -1.55 119.26 120.29 1xym h ALA 653 Ca -0.08 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.53 1xym h ALA 653 Cb 1.59 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 1xym h ALA 653 CO 0.17 0.57 -0.37 -0.07 0.00 0.00 0.00 179.25 179.54 1xym h LEU 654 N 0.87 0.22 -0.17 0.00 3.38 -1.05 -0.19 115.31 118.36 1xym h LEU 654 Ca 0.19 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1xym h LEU 654 Cb 0.28 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1xym h LEU 654 CO -0.00 0.57 0.11 0.44 0.09 0.00 0.00 178.44 179.64 1xym h ASP 655 N 0.18 0.18 0.09 -0.43 3.32 -0.91 -0.69 116.42 118.16 1xym h ASP 655 Ca 0.02 -0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.01 1xym h ASP 655 Cb 0.74 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.24 1xym h ASP 655 CO 0.06 0.13 -0.20 0.03 -1.72 0.00 0.00 179.24 177.54 1xym h ARG 656 N 0.22 0.22 -0.14 3.56 2.47 -0.82 0.93 114.38 120.82 1xym h ARG 656 Ca 0.06 -0.06 -0.11 0.00 -1.26 0.00 0.00 59.98 58.62 1xym h ARG 656 Cb -0.02 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.28 1xym h ARG 656 CO -0.02 0.42 -0.32 1.98 0.56 0.00 0.00 179.97 182.58 1xym h MET 657 N 0.20 0.46 -0.76 0.04 4.05 -0.86 -1.90 114.93 116.17 1xym h MET 657 Ca 0.04 -0.31 -0.03 0.00 -0.28 0.00 0.00 59.70 59.11 1xym h MET 657 Cb 0.47 0.05 -0.03 0.00 -0.80 0.00 0.00 31.60 31.28 1xym h MET 657 CO 0.03 0.93 0.34 -0.22 0.23 0.00 0.00 176.91 178.21 1xym h LYS 658 N 0.07 1.10 -0.35 0.39 3.64 -0.84 -2.08 116.57 118.51 1xym h LYS 658 Ca -0.00 -0.17 0.03 0.00 -1.27 0.00 0.00 60.65 59.24 1xym h LYS 658 Cb 0.93 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 32.53 1xym h LYS 658 CO 0.07 0.87 0.15 1.49 -2.27 0.00 0.00 179.45 179.76 1xym h GLU 659 N 1.08 0.31 -0.41 1.90 4.81 -0.64 -0.96 114.58 120.68 1xym h GLU 659 Ca 0.26 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.44 1xym h GLU 659 Cb 0.15 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 1xym h GLU 659 CO -0.03 0.21 0.13 0.00 -0.73 0.00 0.00 179.01 178.59 1xym h ALA 660 N 1.19 0.54 -0.48 2.92 0.00 -0.89 -1.52 119.26 121.02 1xym h ALA 660 Ca 0.15 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 1xym h ALA 660 Cb 0.08 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1xym h ALA 660 CO -0.12 0.18 -0.12 0.74 0.00 0.00 0.00 179.25 179.93 1xym h PHE 661 N 0.52 0.99 -0.72 0.00 0.04 -1.14 -0.88 116.94 115.75 1xym h PHE 661 Ca 0.13 -0.20 -0.04 0.00 2.80 0.00 0.00 57.97 60.67 1xym h PHE 661 Cb 0.25 -0.25 -0.03 0.00 2.20 0.00 0.00 35.95 38.12 1xym h PHE 661 CO 0.01 0.95 0.29 -0.44 -0.60 0.00 0.00 178.31 178.52 1xym h ASP 662 N 0.80 0.96 -0.53 2.17 3.32 -1.02 -0.90 116.42 121.23 1xym h ASP 662 Ca 0.13 -0.13 -0.09 0.00 0.02 0.00 0.00 57.03 56.95 1xym h ASP 662 Cb 0.64 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.92 1xym h ASP 662 CO 0.04 0.85 -0.02 0.25 -1.72 0.00 0.00 179.24 178.65 1xym h LEU 663 N 1.03 0.93 -0.54 1.55 7.12 -0.76 -0.08 115.31 124.56 1xym h LEU 663 Ca 0.24 -0.32 -0.15 0.00 0.13 0.00 0.00 57.88 57.79 1xym h LEU 663 Cb 0.18 -0.25 -0.01 0.00 -0.53 0.00 0.00 40.66 40.05 1xym h LEU 663 CO -0.02 1.02 -0.43 -0.07 -0.13 0.00 0.00 178.44 178.81 1xym h LEU 664 N 0.82 0.76 -0.43 2.25 3.38 -1.05 -1.76 115.31 119.27 1xym h LEU 664 Ca 0.15 -0.35 -0.05 0.00 0.09 0.00 0.00 57.88 57.71 1xym h LEU 664 Cb 0.56 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 1xym h LEU 664 CO 0.03 1.08 0.07 1.23 0.09 0.00 0.00 178.44 180.94 1xym h GLY 665 N 0.95 0.77 1.59 0.83 0.00 -0.79 -1.46 103.07 104.95 1xym h GLY 665 Ca 0.04 -0.52 -0.08 0.00 0.00 0.00 0.00 47.33 46.78 1xym h GLY 665 CO 0.09 0.48 -0.16 1.05 0.00 0.00 0.00 176.54 178.00 1xym h GLU 666 N 0.58 0.49 0.29 4.80 4.11 -0.95 -2.15 114.58 121.74 1xym h GLU 666 Ca 0.13 -0.15 -0.01 0.00 0.07 0.00 0.00 59.36 59.39 1xym h GLU 666 Cb 0.38 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1xym h GLU 666 CO 0.01 0.64 -0.14 -0.92 0.07 0.00 0.00 179.01 178.67 1xym h TYR 667 N 0.45 -0.36 0.00 2.06 3.20 -1.01 0.36 116.97 121.67 1xym h TYR 667 Ca 0.08 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.91 1xym h TYR 667 Cb 0.55 0.12 -0.00 0.00 1.54 0.00 0.00 36.73 38.93 1xym h TYR 667 CO 0.02 -0.18 -0.12 -0.39 -1.64 0.00 0.00 178.16 175.85 1xym h VAL 668 N -0.46 0.41 -0.16 1.81 -1.51 -1.25 -2.37 116.25 112.71 1xym h VAL 668 Ca -0.04 -0.69 -0.10 0.00 -1.23 0.00 0.00 66.70 64.64 1xym h VAL 668 Cb 0.35 1.50 0.00 0.00 -2.13 0.00 0.00 31.29 31.01 1xym h VAL 668 CO 0.07 0.12 -0.29 0.74 -1.23 0.00 0.00 177.57 176.98 1xym h THR 669 N 0.00 1.35 -0.26 7.19 2.02 -0.96 -1.91 112.91 120.34 1xym h THR 669 Ca -0.00 -1.53 -0.11 0.00 0.77 0.00 0.00 66.41 65.54 1xym h THR 669 Cb 0.49 1.94 -0.01 0.00 -1.74 0.00 0.00 68.15 68.82 1xym h THR 669 CO 0.02 0.46 -0.31 0.77 0.37 0.00 0.00 175.52 176.83 1xym h SER 670 N 0.12 0.54 0.87 4.18 4.64 -0.44 -2.56 113.55 120.89 1xym h SER 670 Ca 0.01 -0.21 0.00 0.00 -0.47 0.00 0.00 61.79 61.13 1xym h SER 670 Cb 0.87 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 1xym h SER 670 CO 0.06 0.82 0.00 0.00 -0.87 0.00 0.00 176.83 176.85 1xym n GLN 671 N -4.08 0.02 -2.72 4.77 1.13 -0.95 -4.91 117.38 110.63 1xym n GLN 671 Ca -0.01 0.09 -0.17 0.00 -1.94 0.00 0.00 57.00 54.97 1xym n GLN 671 Cb 0.45 -1.52 0.02 0.00 0.11 0.00 0.00 30.24 29.30 1xym n GLN 671 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1xym n GLY 672 N 1.02 -0.28 3.77 1.08 0.00 -0.97 -5.00 105.19 104.81 1xym n GLY 672 Ca 0.06 -0.09 -0.38 0.00 0.00 0.00 0.00 46.02 45.61 1xym n GLY 672 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xym s TYR 673 N -2.99 3.61 -1.02 1.61 2.02 -0.75 -4.99 117.35 114.84 1xym s TYR 673 Ca 0.18 1.76 -0.11 0.00 -0.37 0.00 0.00 57.07 58.53 1xym s TYR 673 Cb -0.08 -3.02 0.26 0.00 -0.40 0.00 0.00 41.96 38.71 1xym s TYR 673 CO 0.22 -0.06 1.01 0.34 -1.57 0.00 0.00 175.55 175.49 1xym s ASP 674 N -1.46 7.13 -0.03 2.29 -1.08 -1.26 -4.86 116.67 117.40 1xym s ASP 674 Ca 0.50 -3.28 -0.11 0.00 -0.52 0.00 0.00 52.55 49.15 1xym s ASP 674 Cb -0.22 -2.22 0.02 0.00 -1.46 0.00 0.00 42.92 39.04 1xym s ASP 674 CO 0.28 -0.40 0.25 0.28 0.52 0.00 0.00 175.17 176.10 1xym s THR 675 N -0.71 0.05 0.29 1.71 -1.32 -1.26 -4.77 115.64 109.63 1xym s THR 675 Ca 0.27 -0.42 0.06 0.00 -1.21 0.00 0.00 61.69 60.39 1xym s THR 675 Cb -0.10 -0.50 -0.06 0.00 -1.51 0.00 0.00 72.50 70.33 1xym s THR 675 CO -0.08 -0.23 -0.03 0.00 -2.21 0.00 0.00 174.62 172.07 1xym s ARG 676 N -0.97 1.58 0.02 7.08 1.70 -0.94 -5.00 118.95 122.43 1xym s ARG 676 Ca -0.10 -1.82 0.01 0.00 -0.47 0.00 0.00 55.73 53.34 1xym s ARG 676 Cb -0.05 -1.11 -0.04 0.00 -0.57 0.00 0.00 34.95 33.18 1xym s ARG 676 CO 0.02 -0.01 0.07 -0.06 -1.08 0.00 0.00 175.30 174.25 1xym s PHE 677 N -3.06 3.24 -0.07 5.89 0.08 -0.05 -0.57 117.98 123.44 1xym s PHE 677 Ca 0.31 0.16 0.00 0.00 0.12 0.00 0.00 56.93 57.51 1xym s PHE 677 Cb 0.05 -1.70 0.02 0.00 -0.57 0.00 0.00 43.02 40.83 1xym s PHE 677 CO 0.13 0.53 -0.04 0.00 -0.10 0.00 0.00 175.22 175.74 1xym s ALA 678 N -1.24 0.87 -0.03 5.36 0.00 -0.33 -1.03 121.76 125.35 1xym s ALA 678 Ca 0.24 -0.21 -0.23 0.00 0.00 0.00 0.00 51.96 51.76 1xym s ALA 678 Cb -0.12 -0.65 -0.04 0.00 0.00 0.00 0.00 23.12 22.31 1xym s ALA 678 CO 0.16 -0.24 0.68 0.42 0.00 0.00 0.00 175.76 176.78 1xym s ILE 679 N 1.43 4.95 -0.47 0.00 1.01 0.16 -0.68 121.20 127.61 1xym s ILE 679 Ca -0.02 1.42 -0.12 0.00 0.00 0.00 0.00 60.65 61.93 1xym s ILE 679 Cb -0.13 -4.02 0.10 0.00 0.01 0.00 0.00 42.46 38.42 1xym s ILE 679 CO -0.03 0.32 0.36 -0.75 0.00 0.00 0.00 174.94 174.84 1xym s LYS 680 N 0.39 2.72 0.58 2.79 2.36 -0.14 -0.80 119.74 127.63 1xym s LYS 680 Ca 0.36 -1.59 -0.17 0.00 -2.55 0.00 0.00 55.97 52.02 1xym s LYS 680 Cb -0.18 -4.01 -0.04 0.00 -1.05 0.00 0.00 37.83 32.55 1xym s LYS 680 CO 0.19 -1.13 1.08 -2.14 1.55 0.00 0.00 175.35 174.90 1xym s PRO 681 N 1.48 3.27 -0.24 4.03 0.02 -1.26 -4.35 135.00 137.95 1xym s PRO 681 Ca 0.04 1.37 -0.17 0.00 0.02 0.00 0.00 61.00 62.26 1xym s PRO 681 Cb -0.26 -2.02 0.07 0.00 0.02 0.00 0.00 34.50 32.32 1xym s PRO 681 CO 0.02 -0.87 0.62 0.21 -0.33 0.00 0.00 177.00 176.65 1xym s LYS 682 N -3.76 0.67 0.08 5.54 2.20 -1.23 -4.76 119.74 118.47 1xym s LYS 682 Ca 0.67 1.01 -0.10 0.00 -0.36 0.00 0.00 55.97 57.19 1xym s LYS 682 Cb -0.19 0.20 -0.24 0.00 -1.51 0.00 0.00 37.83 36.09 1xym s LYS 682 CO 0.33 -0.13 1.15 -1.00 -0.36 0.00 0.00 175.35 175.35 1xym h PRO 683 N 6.25 0.49 -2.97 4.03 0.13 -1.71 -3.39 132.00 134.82 1xym h PRO 683 Ca -0.30 -0.67 0.06 0.00 -0.87 0.00 0.00 66.00 64.22 1xym h PRO 683 Cb 1.20 0.22 -0.04 0.00 0.13 0.00 0.00 31.00 32.51 1xym h PRO 683 CO 0.16 1.28 0.25 0.54 -0.23 0.00 0.00 178.00 180.01 1xym s ASN 684 N -7.30 -0.21 0.07 1.44 4.22 -1.26 -1.20 114.94 110.71 1xym s ASN 684 Ca -0.07 -0.70 0.00 0.00 -2.14 0.00 0.00 52.86 49.95 1xym s ASN 684 Cb 0.07 0.74 0.00 0.00 1.28 0.00 0.00 41.25 43.34 1xym s ASN 684 CO 0.91 -1.39 0.00 1.21 -2.04 0.00 0.00 177.10 175.79 1xym n GLU 685 N -0.47 -1.84 0.20 3.55 2.13 -1.26 -4.88 120.64 118.08 1xym n GLU 685 Ca -0.05 1.64 0.14 0.00 0.66 0.00 0.00 57.16 59.55 1xym n GLU 685 Cb 0.59 -1.41 0.49 0.00 0.27 0.00 0.00 31.44 31.38 1xym n GLU 685 CO 0.00 0.00 0.00 -1.00 -0.41 0.00 0.00 177.13 175.72 1xym h PRO 686 N 1.42 0.00 -7.16 5.31 0.13 -2.00 -3.49 132.00 126.21 1xym h PRO 686 Ca 0.00 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.63 1xym h PRO 686 Cb 0.00 0.00 0.04 0.00 0.13 0.00 0.00 31.00 31.17 1xym h PRO 686 CO 0.00 0.00 0.30 1.03 -0.23 0.00 0.00 178.00 179.10 1xym s ARG 687 N -3.40 3.68 0.23 0.86 1.81 -1.26 -4.99 118.95 115.88 1xym s ARG 687 Ca 0.05 0.63 -0.07 0.00 -1.72 0.00 0.00 55.73 54.61 1xym s ARG 687 Cb 0.09 -2.20 0.30 0.00 -0.45 0.00 0.00 34.95 32.68 1xym s ARG 687 CO 0.54 -0.35 1.82 0.78 -0.68 0.00 0.00 175.30 177.41 1xym h GLY 688 N 0.28 1.12 -5.49 -3.53 0.00 -1.84 -3.42 103.07 90.19 1xym h GLY 688 Ca -0.46 -0.30 -0.21 0.00 0.00 0.00 0.00 47.33 46.37 1xym h GLY 688 CO 0.62 0.17 -0.63 0.99 0.00 0.00 0.00 176.54 177.69 1xym s ASP 689 N -5.63 -0.08 -0.07 0.19 1.01 -0.85 -4.70 116.67 106.55 1xym s ASP 689 Ca -0.13 0.15 0.02 0.00 0.71 0.00 0.00 52.55 53.30 1xym s ASP 689 Cb 0.17 0.15 -0.03 0.00 1.01 0.00 0.00 42.92 44.23 1xym s ASP 689 CO 0.77 -0.03 -0.10 -0.63 0.21 0.00 0.00 175.17 175.40 1xym s ILE 690 N 0.04 3.42 0.49 0.77 1.01 -0.34 -2.53 121.20 124.06 1xym s ILE 690 Ca -0.00 -0.58 -0.24 0.00 0.00 0.00 0.00 60.65 59.83 1xym s ILE 690 Cb -0.01 -2.39 -0.07 0.00 0.01 0.00 0.00 42.46 40.01 1xym s ILE 690 CO 0.00 0.58 1.38 0.18 0.00 0.00 0.00 174.94 177.08 1xym n LEU 691 N 2.44 5.16 -3.27 2.97 4.77 -0.32 -3.63 117.00 125.13 1xym n LEU 691 Ca -0.18 1.06 -0.14 0.00 -0.03 0.00 0.00 56.01 56.72 1xym n LEU 691 Cb 0.53 -1.58 0.05 0.00 -2.33 0.00 0.00 43.42 40.09 1xym n LEU 691 CO 0.27 -0.41 0.07 0.18 -1.33 0.00 0.00 177.39 176.18 1xym n LEU 692 N -0.49 -5.54 0.13 2.23 4.77 -1.26 -4.81 117.00 112.03 1xym n LEU 692 Ca 0.08 -0.63 0.13 0.00 -0.03 0.00 0.00 56.01 55.55 1xym n LEU 692 Cb 0.43 -3.14 0.46 0.00 -2.33 0.00 0.00 43.42 38.84 1xym n LEU 692 CO 0.57 -0.08 0.87 1.55 -1.33 0.00 0.00 177.39 178.97 1xym h PRO 693 N -0.88 0.00 -4.24 3.23 0.13 -1.75 -3.34 132.00 125.15 1xym h PRO 693 Ca -0.51 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.44 1xym h PRO 693 Cb 1.26 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.26 1xym h PRO 693 CO 0.42 0.00 -0.42 0.95 -0.23 0.00 0.00 178.00 178.72 1xym s THR 694 N -3.25 0.00 0.23 1.56 -4.23 -1.26 -2.30 115.64 106.39 1xym s THR 694 Ca 0.07 -1.77 -0.06 0.00 -1.18 0.00 0.00 61.69 58.74 1xym s THR 694 Cb 0.10 -2.40 0.19 0.00 1.34 0.00 0.00 72.50 71.73 1xym s THR 694 CO 0.48 0.00 1.77 0.58 -0.54 0.00 0.00 174.62 176.91 1xym h VAL 695 N 2.46 0.81 -0.26 2.29 2.07 -1.93 -2.25 116.25 119.44 1xym h VAL 695 Ca -0.32 -0.20 0.03 0.00 0.82 0.00 0.00 66.70 67.03 1xym h VAL 695 Cb 1.25 0.18 -0.03 0.00 -1.52 0.00 0.00 31.29 31.17 1xym h VAL 695 CO 0.46 0.11 0.08 1.23 0.02 0.00 0.00 177.57 179.46 1xym h GLY 696 N 0.58 0.31 1.03 2.17 0.00 -1.96 -1.12 103.07 104.07 1xym h GLY 696 Ca 0.37 -0.04 -0.04 0.00 0.00 0.00 0.00 47.33 47.61 1xym h GLY 696 CO -0.30 0.02 0.28 0.45 0.00 0.00 0.00 176.54 176.99 1xym h HIS 697 N 0.19 1.09 -0.58 5.60 -0.00 -1.80 -1.82 115.15 117.84 1xym h HIS 697 Ca 0.11 -0.09 -0.00 0.00 -0.00 0.00 0.00 60.37 60.40 1xym h HIS 697 Cb 0.09 -0.33 -0.03 0.00 -0.00 0.00 0.00 27.41 27.15 1xym h HIS 697 CO -0.14 0.85 0.36 0.00 -0.00 0.00 0.00 177.93 179.00 1xym h ALA 698 N 1.13 0.74 -0.57 2.45 0.00 -1.24 -1.87 119.26 119.90 1xym h ALA 698 Ca 0.24 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 1xym h ALA 698 Cb 0.23 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1xym h ALA 698 CO -0.02 0.20 0.07 -0.07 0.00 0.00 0.00 179.25 179.44 1xym h LEU 699 N 0.78 0.88 -0.47 0.00 3.38 -0.78 -2.49 115.31 116.62 1xym h LEU 699 Ca 0.21 -0.20 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 1xym h LEU 699 Cb -0.04 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.46 1xym h LEU 699 CO -0.04 0.90 -0.11 0.00 0.09 0.00 0.00 178.44 179.28 1xym h ALA 700 N 1.20 0.64 -0.59 1.53 0.00 -1.20 -3.19 119.26 117.65 1xym h ALA 700 Ca 0.17 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 1xym h ALA 700 Cb 0.42 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1xym h ALA 700 CO 0.01 0.55 0.37 0.35 0.00 0.00 0.00 179.25 180.52 1xym h PHE 701 N 0.75 0.77 -0.77 0.00 3.57 -0.94 -2.69 116.94 117.64 1xym h PHE 701 Ca 0.12 0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.73 1xym h PHE 701 Cb 0.66 -0.26 -0.05 0.00 2.79 0.00 0.00 35.95 39.10 1xym h PHE 701 CO 0.05 0.52 0.50 0.82 -2.23 0.00 0.00 178.31 177.97 1xym h ILE 702 N 0.80 0.90 0.00 1.41 2.04 -1.45 -0.68 117.51 120.53 1xym h ILE 702 Ca 0.21 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1xym h ILE 702 Cb -0.04 0.23 0.00 0.00 -0.74 0.00 0.00 36.82 36.27 1xym h ILE 702 CO -0.04 0.11 0.00 -0.33 0.00 0.00 0.00 178.15 177.89 1xym h GLU 703 N 0.62 0.00 -0.05 2.37 4.39 -1.48 -0.91 114.58 119.51 1xym h GLU 703 Ca 0.36 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.06 1xym h GLU 703 Cb 0.57 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.22 1xym h GLU 703 CO -0.13 0.00 0.00 0.54 -1.16 0.00 0.00 179.01 178.26 1xym n ARG 704 N -2.41 2.07 -2.62 2.33 5.12 -0.26 -4.95 116.66 115.93 1xym n ARG 704 Ca -0.00 -1.56 -0.33 0.00 -1.93 0.00 0.00 57.85 54.03 1xym n ARG 704 Cb 0.14 -1.47 -0.05 0.00 -1.16 0.00 0.00 32.46 29.92 1xym n ARG 704 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1xym s LEU 705 N -1.95 3.82 0.27 0.55 1.43 -0.35 -4.98 118.68 117.46 1xym s LEU 705 Ca 0.32 1.70 -0.01 0.00 -1.03 0.00 0.00 54.13 55.12 1xym s LEU 705 Cb 0.20 -4.53 0.52 0.00 0.03 0.00 0.00 46.19 42.41 1xym s LEU 705 CO 0.31 -0.52 1.80 -0.33 0.23 0.00 0.00 176.35 177.84 1xym h GLU 706 N 1.51 0.79 -2.59 1.70 4.39 -1.92 -3.29 114.58 115.18 1xym h GLU 706 Ca -0.48 -0.05 -0.60 0.00 0.34 0.00 0.00 59.36 58.57 1xym h GLU 706 Cb 1.19 -0.18 -0.41 0.00 -0.10 0.00 0.00 28.75 29.25 1xym h GLU 706 CO 0.61 0.53 -0.71 0.54 -1.16 0.00 0.00 179.01 178.81 1xym n ARG 707 N -4.73 1.59 0.08 2.33 1.74 -1.26 -4.98 116.66 111.42 1xym n ARG 707 Ca 0.17 -4.15 0.17 0.00 -0.77 0.00 0.00 57.85 53.27 1xym n ARG 707 Cb 0.37 -2.04 0.68 0.00 -1.02 0.00 0.00 32.46 30.45 1xym n ARG 707 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 1xym h PRO 708 N 4.95 0.00 0.00 5.56 0.11 -1.80 -2.23 132.00 138.58 1xym h PRO 708 Ca 0.18 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.29 1xym h PRO 708 Cb 0.77 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.88 1xym h PRO 708 CO 0.66 0.00 -0.00 1.05 -0.21 0.00 0.00 178.00 179.49 1xym h GLU 709 N 0.00 0.00 0.00 1.05 9.09 -1.93 -2.39 114.58 120.39 1xym h GLU 709 Ca 0.17 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.58 1xym h GLU 709 Cb 0.70 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.80 1xym h GLU 709 CO -0.00 0.00 0.00 1.28 0.05 0.00 0.00 179.01 180.34 1xym n LEU 710 N -3.13 0.00 -4.10 3.06 4.32 -0.84 -4.91 117.00 111.41 1xym n LEU 710 Ca -0.02 0.43 -0.19 0.00 -0.02 0.00 0.00 56.01 56.21 1xym n LEU 710 Cb 0.11 -0.43 -0.14 0.00 -1.62 0.00 0.00 43.42 41.34 1xym n LEU 710 CO 0.22 -0.01 -0.45 -0.31 -1.22 0.00 0.00 177.39 175.62 1xym s TYR 711 N -2.86 1.04 0.00 -1.77 1.51 -0.90 -0.87 117.35 113.50 1xym s TYR 711 Ca 0.18 -0.31 0.00 0.00 -1.01 0.00 0.00 57.07 55.94 1xym s TYR 711 Cb 0.19 -0.63 0.00 0.00 -0.11 0.00 0.00 41.96 41.41 1xym s TYR 711 CO 0.50 0.00 0.00 0.41 -1.11 0.00 0.00 175.55 175.36 1xym n GLY 712 N 2.16 4.05 3.50 0.71 0.00 -0.20 -4.98 105.19 110.43 1xym n GLY 712 Ca -0.17 -1.28 -0.26 0.00 0.00 0.00 0.00 46.02 44.32 1xym n GLY 712 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1xym s VAL 713 N -1.92 2.71 -0.57 1.61 -7.23 -0.77 -0.66 120.40 113.56 1xym s VAL 713 Ca 0.00 -2.03 0.04 0.00 -1.81 0.00 0.00 61.98 58.18 1xym s VAL 713 Cb 0.00 -2.36 0.16 0.00 0.56 0.00 0.00 36.38 34.74 1xym s VAL 713 CO 0.00 -0.22 0.39 0.21 -0.31 0.00 0.00 175.10 175.17 1xym s ASN 714 N -3.04 3.82 0.50 4.85 2.47 0.02 -2.55 114.94 121.01 1xym s ASN 714 Ca 0.25 -3.37 -0.22 0.00 0.42 0.00 0.00 52.86 49.94 1xym s ASN 714 Cb -0.07 -1.27 -0.06 0.00 -1.45 0.00 0.00 41.25 38.40 1xym s ASN 714 CO 0.14 -0.15 1.27 -2.84 -3.72 0.00 0.00 177.10 171.80 1xym s PRO 715 N -0.67 3.44 -0.09 0.43 0.02 -1.26 -4.31 135.00 132.55 1xym s PRO 715 Ca 0.24 2.03 0.04 0.00 0.02 0.00 0.00 61.00 63.34 1xym s PRO 715 Cb -0.09 -2.34 0.00 0.00 0.02 0.00 0.00 34.50 32.09 1xym s PRO 715 CO -0.12 -0.89 -0.22 -2.00 -0.33 0.00 0.00 177.00 173.44 1xym s GLU 716 N -2.79 2.84 0.15 5.54 2.12 -1.26 -1.36 118.70 123.94 1xym s GLU 716 Ca 0.68 -0.81 -0.29 0.00 0.36 0.00 0.00 54.97 54.90 1xym s GLU 716 Cb -0.35 -2.16 -0.04 0.00 0.26 0.00 0.00 34.13 31.84 1xym s GLU 716 CO 0.42 0.16 1.56 0.28 -0.54 0.00 0.00 175.26 177.14 1xym h VAL 717 N 5.74 0.04 -0.33 3.70 2.07 -1.78 -2.34 116.25 123.35 1xym h VAL 717 Ca -0.21 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.29 1xym h VAL 717 Cb 1.23 0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 1xym h VAL 717 CO 0.47 0.00 0.10 1.23 0.02 0.00 0.00 177.57 179.39 1xym h GLY 718 N -0.29 0.50 0.91 2.17 0.00 -1.86 -2.90 103.07 101.61 1xym h GLY 718 Ca 0.13 -0.24 -0.00 0.00 0.00 0.00 0.00 47.33 47.22 1xym h GLY 718 CO -0.67 0.23 0.05 0.45 0.00 0.00 0.00 176.54 176.61 1xym h HIS 719 N 0.46 0.15 -0.03 5.60 3.86 -1.77 0.10 115.15 123.52 1xym h HIS 719 Ca 0.11 -0.01 -0.07 0.00 -1.16 0.00 0.00 60.37 59.24 1xym h HIS 719 Cb 0.15 -0.05 -0.01 0.00 1.06 0.00 0.00 27.41 28.56 1xym h HIS 719 CO 0.01 0.20 -0.33 0.93 0.86 0.00 0.00 177.93 179.59 1xym h GLU 720 N 0.06 0.06 0.00 2.45 4.39 -1.49 -1.72 114.58 118.32 1xym h GLU 720 Ca 0.04 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.72 1xym h GLU 720 Cb 0.10 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.75 1xym h GLU 720 CO -0.01 0.38 0.00 1.96 -1.16 0.00 0.00 179.01 180.19 1xym h GLN 721 N 0.05 0.00 0.00 2.33 4.20 -1.21 -1.89 115.11 118.59 1xym h GLN 721 Ca 0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.72 1xym h GLN 721 Cb 0.61 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.39 1xym h GLN 721 CO 0.04 0.00 0.00 -1.33 -0.67 0.00 0.00 178.83 176.87 1xym n MET 722 N -2.79 0.21 -0.34 1.46 2.81 -0.03 -1.28 117.12 117.15 1xym n MET 722 Ca 0.03 0.38 0.10 0.00 -1.81 0.00 0.00 57.70 56.40 1xym n MET 722 Cb 0.40 -1.86 0.28 0.00 -0.71 0.00 0.00 33.22 31.34 1xym n MET 722 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1xym n ALA 723 N -1.77 2.36 -1.47 3.04 0.00 -0.87 -4.70 120.51 117.10 1xym n ALA 723 Ca 0.03 -1.29 -0.15 0.00 0.00 0.00 0.00 53.44 52.03 1xym n ALA 723 Cb 0.27 -0.81 -0.06 0.00 0.00 0.00 0.00 19.45 18.85 1xym n ALA 723 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xym n GLY 724 N 1.33 1.46 3.91 0.00 0.00 -0.41 -5.00 105.19 106.49 1xym n GLY 724 Ca 0.21 -0.32 -0.27 0.00 0.00 0.00 0.00 46.02 45.65 1xym n GLY 724 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xym s LEU 725 N -3.43 3.73 -0.50 0.99 1.43 -0.77 -4.99 118.68 115.14 1xym s LEU 725 Ca 0.00 0.86 -0.27 0.00 -1.03 0.00 0.00 54.13 53.69 1xym s LEU 725 Cb 0.00 -3.78 0.03 0.00 0.03 0.00 0.00 46.19 42.47 1xym s LEU 725 CO 0.00 -0.50 1.03 0.21 0.23 0.00 0.00 176.35 177.33 1xym s ASN 726 N -3.96 6.49 0.09 2.29 3.84 -1.26 -4.33 114.94 118.10 1xym s ASN 726 Ca 0.46 0.12 -0.19 0.00 0.21 0.00 0.00 52.86 53.46 1xym s ASN 726 Cb -0.10 -2.49 -0.08 0.00 -0.55 0.00 0.00 41.25 38.03 1xym s ASN 726 CO 0.41 -1.21 1.59 0.15 -2.79 0.00 0.00 177.10 175.25 1xym h PHE 727 N 9.25 0.39 -0.74 0.43 3.57 -1.91 -2.55 116.94 125.37 1xym h PHE 727 Ca -0.24 -0.05 0.13 0.00 3.53 0.00 0.00 57.97 61.34 1xym h PHE 727 Cb 1.07 -0.11 -0.09 0.00 2.79 0.00 0.00 35.95 39.61 1xym h PHE 727 CO 0.94 0.47 0.32 -1.35 -2.23 0.00 0.00 178.31 176.45 1xym h PRO 728 N 0.20 0.48 -0.93 6.41 0.11 -1.92 -1.51 132.00 134.83 1xym h PRO 728 Ca 0.07 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.15 1xym h PRO 728 Cb 0.27 -0.11 -0.05 0.00 0.11 0.00 0.00 31.00 31.23 1xym h PRO 728 CO 0.00 0.32 0.57 0.45 -0.21 0.00 0.00 178.00 179.13 1xym h HIS 729 N 0.49 1.21 -0.39 0.65 3.86 -1.92 -0.64 115.15 118.41 1xym h HIS 729 Ca 0.40 0.00 -0.12 0.00 -1.16 0.00 0.00 60.37 59.49 1xym h HIS 729 Cb 0.55 -0.40 -0.01 0.00 1.06 0.00 0.00 27.41 28.61 1xym h HIS 729 CO -0.15 0.80 -0.25 0.78 0.86 0.00 0.00 177.93 179.97 1xym h GLY 730 N 1.28 0.86 1.10 2.45 0.00 -1.00 -1.57 103.07 106.20 1xym h GLY 730 Ca 0.34 -0.75 -0.11 0.00 0.00 0.00 0.00 47.33 46.80 1xym h GLY 730 CO -0.07 0.69 -0.10 -2.22 0.00 0.00 0.00 176.54 174.84 1xym h ILE 731 N 0.68 1.27 -0.81 2.60 1.08 -1.07 -1.66 117.51 119.59 1xym h ILE 731 Ca 0.09 -1.26 -0.04 0.00 -0.39 0.00 0.00 64.86 63.26 1xym h ILE 731 Cb 0.77 0.94 -0.04 0.00 -3.07 0.00 0.00 36.82 35.42 1xym h ILE 731 CO 0.06 0.45 0.34 0.00 -0.69 0.00 0.00 178.15 178.31 1xym h ALA 732 N 0.94 1.06 -0.34 1.87 0.00 -0.65 -0.37 119.26 121.78 1xym h ALA 732 Ca 0.15 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 1xym h ALA 732 Cb 0.67 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1xym h ALA 732 CO 0.05 0.67 -0.17 0.37 0.00 0.00 0.00 179.25 180.17 1xym h GLN 733 N 1.18 0.61 -0.38 0.00 4.15 -1.18 -0.05 115.11 119.44 1xym h GLN 733 Ca 0.27 -0.21 -0.13 0.00 0.77 0.00 0.00 58.65 59.36 1xym h GLN 733 Cb 0.20 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 27.83 1xym h GLN 733 CO -0.02 0.75 -0.28 0.00 -1.93 0.00 0.00 178.83 177.35 1xym h ALA 734 N 1.27 0.80 -0.50 3.38 0.00 -0.64 -2.27 119.26 121.29 1xym h ALA 734 Ca 0.09 -0.40 -0.11 0.00 0.00 0.00 0.00 54.91 54.49 1xym h ALA 734 Cb 0.60 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1xym h ALA 734 CO 0.04 0.65 -0.12 -0.07 0.00 0.00 0.00 179.25 179.75 1xym h LEU 735 N 0.68 0.94 -1.21 0.00 3.38 -0.90 -0.93 115.31 117.26 1xym h LEU 735 Ca 0.08 -0.30 -0.03 0.00 0.09 0.00 0.00 57.88 57.72 1xym h LEU 735 Cb 0.81 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 1xym h LEU 735 CO 0.07 1.06 0.19 -0.25 0.09 0.00 0.00 178.44 179.60 1xym h TRP 736 N 0.84 0.75 -0.00 1.13 7.01 -0.84 -1.96 115.95 122.87 1xym h TRP 736 Ca 0.13 -0.04 0.00 0.00 2.11 0.00 0.00 58.89 61.09 1xym h TRP 736 Cb 0.65 -0.23 0.00 0.00 -2.10 0.00 0.00 29.16 27.48 1xym h TRP 736 CO 0.04 0.59 -0.00 0.00 -2.79 0.00 0.00 178.44 176.28 1xym n ALA 737 N -2.46 2.42 -1.74 2.65 0.00 -0.87 -4.91 120.51 115.60 1xym n ALA 737 Ca 0.04 -0.12 -0.07 0.00 0.00 0.00 0.00 53.44 53.28 1xym n ALA 737 Cb 0.17 -1.48 -0.02 0.00 0.00 0.00 0.00 19.45 18.12 1xym n ALA 737 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xym n GLY 738 N 1.38 0.45 0.33 0.00 0.00 -0.74 -4.96 105.19 101.66 1xym n GLY 738 Ca 0.11 -0.64 0.03 0.00 0.00 0.00 0.00 46.02 45.53 1xym n GLY 738 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1xym n LYS 739 N -2.17 2.84 -2.60 1.61 4.76 -0.40 -4.89 118.16 117.31 1xym n LYS 739 Ca -0.08 -1.88 -0.41 0.00 -2.87 0.00 0.00 58.31 53.07 1xym n LYS 739 Cb 0.43 -1.19 -0.03 0.00 -1.84 0.00 0.00 35.03 32.39 1xym n LYS 739 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 1xym s LEU 740 N -1.21 3.69 0.38 -0.35 2.96 -1.22 -1.85 118.68 121.07 1xym s LEU 740 Ca 0.14 -1.56 0.20 0.00 -0.22 0.00 0.00 54.13 52.69 1xym s LEU 740 Cb 0.09 -2.55 0.23 0.00 0.50 0.00 0.00 46.19 44.46 1xym s LEU 740 CO 0.08 -1.44 1.54 -0.26 -1.32 0.00 0.00 176.35 174.94 1xym h PHE 741 N 9.60 0.00 -2.05 5.38 -1.00 -1.84 -3.49 116.94 123.55 1xym h PHE 741 Ca 0.21 0.00 0.20 0.00 2.81 0.00 0.00 57.97 61.19 1xym h PHE 741 Cb 1.01 0.00 -0.11 0.00 3.61 0.00 0.00 35.95 40.45 1xym h PHE 741 CO 1.27 0.19 0.59 -1.58 -1.61 0.00 0.00 178.31 177.18 1xym s HIS 742 N -3.11 -0.16 -0.19 -0.55 2.46 -1.22 -4.90 115.29 107.62 1xym s HIS 742 Ca 0.06 -0.04 -0.16 0.00 0.47 0.00 0.00 55.06 55.38 1xym s HIS 742 Cb 0.06 0.59 0.05 0.00 -0.13 0.00 0.00 32.58 33.15 1xym s HIS 742 CO 0.70 -0.59 0.49 -1.50 -2.47 0.00 0.00 174.74 171.37 1xym s ILE 743 N -2.98 -0.00 -0.23 0.89 2.07 -1.26 -4.04 121.20 115.65 1xym s ILE 743 Ca 0.11 0.01 -0.07 0.00 -1.41 0.00 0.00 60.65 59.29 1xym s ILE 743 Cb 0.00 -0.69 -0.03 0.00 0.13 0.00 0.00 42.46 41.88 1xym s ILE 743 CO -0.02 0.00 0.05 -1.81 -1.91 0.00 0.00 174.94 171.25 1xym s ASP 744 N 0.42 5.09 -0.13 4.50 1.01 -0.47 -2.99 116.67 124.09 1xym s ASP 744 Ca -0.01 -0.19 -0.04 0.00 0.71 0.00 0.00 52.55 53.02 1xym s ASP 744 Cb -0.04 -1.90 -0.03 0.00 1.01 0.00 0.00 42.92 41.96 1xym s ASP 744 CO -0.01 0.00 -0.00 -0.76 0.21 0.00 0.00 175.17 174.61 1xym s LEU 745 N 1.38 3.48 0.00 1.23 1.43 0.56 -2.38 118.68 124.38 1xym s LEU 745 Ca 0.05 0.01 0.00 0.00 -1.03 0.00 0.00 54.13 53.16 1xym s LEU 745 Cb -0.15 -1.83 0.00 0.00 0.03 0.00 0.00 46.19 44.24 1xym s LEU 745 CO 0.03 0.25 0.00 -0.46 0.23 0.00 0.00 176.35 176.39 1xym n ASN 746 N 3.03 0.00 -4.13 2.29 0.23 -1.26 -2.47 115.26 112.95 1xym n ASN 746 Ca -0.18 -0.31 -0.11 0.00 -0.53 0.00 0.00 54.58 53.45 1xym n ASN 746 Cb 0.53 0.00 -0.10 0.00 -2.08 0.00 0.00 39.78 38.12 1xym n ASN 746 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 1xym s GLY 747 N -0.85 0.66 -0.14 4.83 0.00 -0.33 -4.41 107.32 107.09 1xym s GLY 747 Ca 0.00 -1.14 -0.11 0.00 0.00 0.00 0.00 44.72 43.46 1xym s GLY 747 CO 0.00 -1.23 0.36 1.62 0.00 0.00 0.00 173.10 173.85 1xym s GLN 748 N -3.07 0.40 -0.83 2.90 2.00 -1.26 -1.67 119.66 118.13 1xym s GLN 748 Ca 0.04 0.55 0.00 0.00 -2.00 0.00 0.00 55.36 53.96 1xym s GLN 748 Cb 0.00 0.14 0.35 0.00 0.80 0.00 0.00 33.01 34.30 1xym s GLN 748 CO -0.03 -0.08 1.70 -1.13 -0.50 0.00 0.00 175.29 175.25 1xym n SER 749 N 3.23 6.73 0.00 6.67 3.41 -1.26 -3.19 113.62 129.20 1xym n SER 749 Ca -0.16 -3.75 0.00 0.00 -0.26 0.00 0.00 58.87 54.70 1xym n SER 749 Cb 0.57 -0.97 0.00 0.00 -0.26 0.00 0.00 64.21 63.55 1xym n SER 749 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xym n GLY 750 N -0.32 -0.78 3.48 5.00 0.00 -1.26 -4.88 105.19 106.43 1xym n GLY 750 Ca 0.47 -2.22 -0.43 0.00 0.00 0.00 0.00 46.02 43.84 1xym n GLY 750 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xym s ILE 751 N -0.29 4.35 0.03 -0.61 1.01 -1.26 -4.52 121.20 119.91 1xym s ILE 751 Ca 0.00 -0.12 -0.05 0.00 0.00 0.00 0.00 60.65 60.48 1xym s ILE 751 Cb 0.00 -4.62 0.02 0.00 0.01 0.00 0.00 42.46 37.87 1xym s ILE 751 CO 0.00 -1.32 0.25 2.29 0.00 0.00 0.00 174.94 176.16 1xym n LYS 752 N 7.60 0.11 -0.79 2.79 2.85 -1.26 -5.10 118.16 124.36 1xym n LYS 752 Ca -0.02 -0.28 -0.33 0.00 -1.05 0.00 0.00 58.31 56.63 1xym n LYS 752 Cb 0.46 0.40 0.13 0.00 -0.65 0.00 0.00 35.03 35.37 1xym n LYS 752 CO 0.00 0.00 0.00 2.48 -0.05 0.00 0.00 177.40 179.83 1xym n TYR 753 N -0.18 -0.95 -2.57 5.58 4.11 -1.26 -4.84 117.16 117.05 1xym n TYR 753 Ca -0.00 0.27 -0.43 0.00 -0.00 0.00 0.00 57.90 57.74 1xym n TYR 753 Cb 0.13 -1.84 -0.02 0.00 -0.00 0.00 0.00 39.34 37.61 1xym n TYR 753 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.86 177.20 1xym s ASP 754 N -2.12 6.70 0.00 9.48 2.15 -1.26 -4.89 116.67 126.73 1xym s ASP 754 Ca 0.59 0.73 0.01 0.00 0.43 0.00 0.00 52.55 54.31 1xym s ASP 754 Cb -0.22 -2.55 -0.26 0.00 -0.30 0.00 0.00 42.92 39.59 1xym s ASP 754 CO 0.65 -1.15 0.84 1.56 -0.17 0.00 0.00 175.17 176.90 1xym h GLN 755 N 9.04 0.18 -6.20 4.34 4.20 -1.88 -3.49 115.11 121.30 1xym h GLN 755 Ca -0.23 -0.30 -0.45 0.00 0.06 0.00 0.00 58.65 57.73 1xym h GLN 755 Cb 1.07 0.11 0.01 0.00 0.30 0.00 0.00 27.48 28.96 1xym h GLN 755 CO 1.09 1.00 -0.77 -0.25 -0.67 0.00 0.00 178.83 179.22 1xym n ASP 756 N -3.37 -3.88 -4.70 1.46 8.00 -1.24 -4.69 116.55 108.13 1xym n ASP 756 Ca -0.15 -0.77 -0.29 0.00 0.71 0.00 0.00 54.79 54.28 1xym n ASP 756 Cb 1.03 -4.04 0.15 0.00 -0.02 0.00 0.00 41.12 38.24 1xym n ASP 756 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1xym s LEU 757 N -7.11 2.02 0.49 0.64 1.43 -0.67 -0.31 118.68 115.17 1xym s LEU 757 Ca 0.46 1.39 -0.22 0.00 -1.03 0.00 0.00 54.13 54.73 1xym s LEU 757 Cb -0.23 -3.73 -0.07 0.00 0.03 0.00 0.00 46.19 42.20 1xym s LEU 757 CO 0.82 -2.83 1.19 0.00 0.23 0.00 0.00 176.35 175.76 1xym s ARG 758 N -4.94 3.59 0.33 1.70 1.70 -1.26 -1.19 118.95 118.89 1xym s ARG 758 Ca 0.64 1.83 -0.28 0.00 -0.47 0.00 0.00 55.73 57.45 1xym s ARG 758 Cb -0.18 -2.33 -0.12 0.00 -0.57 0.00 0.00 34.95 31.75 1xym s ARG 758 CO 0.57 -0.71 1.32 0.34 -1.08 0.00 0.00 175.30 175.74 1xym n PHE 759 N -0.69 2.31 0.00 5.89 7.35 -1.26 -1.89 117.46 129.17 1xym n PHE 759 Ca 0.08 0.53 0.00 0.00 -0.76 0.00 0.00 57.45 57.30 1xym n PHE 759 Cb 0.48 -2.43 0.00 0.00 0.35 0.00 0.00 39.48 37.88 1xym n PHE 759 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1xym n GLY 760 N 0.93 2.97 3.70 7.13 0.00 -1.26 -4.53 105.19 114.14 1xym n GLY 760 Ca 0.05 -0.66 -0.29 0.00 0.00 0.00 0.00 46.02 45.13 1xym n GLY 760 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xym s ALA 761 N -1.31 1.23 0.00 4.61 0.00 -0.79 -4.34 121.76 121.17 1xym s ALA 761 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 51.96 51.67 1xym s ALA 761 Cb 0.00 -3.13 0.00 0.00 0.00 0.00 0.00 23.12 19.99 1xym s ALA 761 CO 0.00 -2.62 0.00 0.41 0.00 0.00 0.00 175.76 173.55 1xym n GLY 762 N -1.23 0.66 3.52 0.00 0.00 -1.26 -4.13 105.19 102.75 1xym n GLY 762 Ca 0.06 -0.79 -0.42 0.00 0.00 0.00 0.00 46.02 44.87 1xym n GLY 762 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1xym s ASP 763 N -4.00 6.27 0.09 1.61 -1.08 -1.19 -4.89 116.67 113.48 1xym s ASP 763 Ca 0.00 -0.90 -0.16 0.00 -0.52 0.00 0.00 52.55 50.97 1xym s ASP 763 Cb 0.00 -2.52 -0.08 0.00 -1.46 0.00 0.00 42.92 38.86 1xym s ASP 763 CO 0.00 -1.62 1.43 0.25 0.52 0.00 0.00 175.17 175.75 1xym h LEU 764 N 12.43 0.67 -1.22 -1.34 5.85 -1.81 -2.70 115.31 127.18 1xym h LEU 764 Ca -0.14 -0.44 0.02 0.00 0.84 0.00 0.00 57.88 58.15 1xym h LEU 764 Cb 1.04 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.85 1xym h LEU 764 CO 1.28 0.97 0.53 0.03 -0.34 0.00 0.00 178.44 180.91 1xym h ARG 765 N 0.37 1.02 -0.29 1.25 2.47 -1.93 -1.65 114.38 115.63 1xym h ARG 765 Ca 0.05 -0.06 -0.07 0.00 -1.26 0.00 0.00 59.98 58.64 1xym h ARG 765 Cb 0.75 -0.23 -0.02 0.00 -1.65 0.00 0.00 29.97 28.83 1xym h ARG 765 CO 0.06 0.68 -0.13 0.00 0.56 0.00 0.00 179.97 181.13 1xym h ALA 766 N 1.51 1.24 -0.39 0.04 0.00 -1.96 -0.96 119.26 118.75 1xym h ALA 766 Ca 0.30 -0.27 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 1xym h ALA 766 Cb -0.08 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1xym h ALA 766 CO -0.07 0.49 -0.09 0.00 0.00 0.00 0.00 179.25 179.58 1xym h ALA 767 N 1.41 1.11 -0.03 0.00 0.00 -1.02 0.38 119.26 121.11 1xym h ALA 767 Ca 0.08 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 1xym h ALA 767 Cb 0.50 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 1xym h ALA 767 CO 0.03 0.56 0.01 0.35 0.00 0.00 0.00 179.25 180.20 1xym h PHE 768 N 0.62 0.05 0.00 0.00 3.57 -0.63 -1.83 116.94 118.72 1xym h PHE 768 Ca 0.11 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.56 1xym h PHE 768 Cb 0.53 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.24 1xym h PHE 768 CO 0.02 0.20 -0.21 -1.49 -2.23 0.00 0.00 178.31 174.61 1xym h TRP 769 N -0.12 0.00 -0.11 0.41 4.06 -1.05 -1.47 115.95 117.67 1xym h TRP 769 Ca 0.01 0.00 -0.06 0.00 2.06 0.00 0.00 58.89 60.90 1xym h TRP 769 Cb 0.18 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.34 1xym h TRP 769 CO -0.02 0.21 -0.16 1.25 -3.56 0.00 0.00 178.44 176.16 1xym h LEU 770 N 0.00 0.33 -0.41 -4.49 5.85 -0.71 -1.93 115.31 113.95 1xym h LEU 770 Ca -0.00 -0.52 -0.03 0.00 0.84 0.00 0.00 57.88 58.17 1xym h LEU 770 Cb 0.46 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.38 1xym h LEU 770 CO 0.03 0.79 0.13 0.58 -0.34 0.00 0.00 178.44 179.62 1xym h VAL 771 N -0.11 1.22 -0.79 1.05 2.07 -1.21 -0.79 116.25 117.68 1xym h VAL 771 Ca 0.01 -0.71 0.11 0.00 0.82 0.00 0.00 66.70 66.94 1xym h VAL 771 Cb 0.71 0.91 -0.08 0.00 -1.52 0.00 0.00 31.29 31.31 1xym h VAL 771 CO 0.04 0.25 0.41 -0.78 0.02 0.00 0.00 177.57 177.51 1xym h ASP 772 N 0.51 0.53 -0.21 0.57 3.58 -1.26 -0.92 116.42 119.22 1xym h ASP 772 Ca 0.13 0.07 -0.05 0.00 0.42 0.00 0.00 57.03 57.61 1xym h ASP 772 Cb 0.26 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.28 1xym h ASP 772 CO -0.00 0.27 -0.05 0.25 -2.88 0.00 0.00 179.24 176.83 1xym h LEU 773 N 0.65 0.40 -0.72 2.28 6.46 -0.87 -1.55 115.31 121.97 1xym h LEU 773 Ca 0.41 -0.37 -0.10 0.00 -0.12 0.00 0.00 57.88 57.70 1xym h LEU 773 Cb 0.48 -0.11 -0.02 0.00 -0.73 0.00 0.00 40.66 40.28 1xym h LEU 773 CO -0.30 0.68 -0.06 -0.07 -0.62 0.00 0.00 178.44 178.06 1xym h LEU 774 N 0.12 0.90 -0.09 2.25 3.38 -0.68 0.14 115.31 121.33 1xym h LEU 774 Ca 0.05 -0.26 -0.09 0.00 0.09 0.00 0.00 57.88 57.67 1xym h LEU 774 Cb 0.50 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1xym h LEU 774 CO 0.02 1.00 -0.30 -0.33 0.09 0.00 0.00 178.44 178.92 1xym h GLU 775 N 0.83 0.36 0.00 1.13 4.39 -1.22 -1.30 114.58 118.77 1xym h GLU 775 Ca 0.14 -0.27 -0.10 0.00 0.34 0.00 0.00 59.36 59.48 1xym h GLU 775 Cb 0.58 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.26 1xym h GLU 775 CO 0.04 0.90 -0.47 0.66 -1.16 0.00 0.00 179.01 178.97 1xym h SER 776 N -0.10 0.00 -0.02 1.42 4.64 -1.23 -2.46 113.55 115.80 1xym h SER 776 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1xym h SER 776 Cb 0.93 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.02 1xym h SER 776 CO 0.06 0.47 0.00 0.00 -0.87 0.00 0.00 176.83 176.49 1xym n ALA 777 N -2.31 2.64 -3.61 5.18 0.00 0.03 -4.93 120.51 117.51 1xym n ALA 777 Ca -0.00 -0.24 -0.24 0.00 0.00 0.00 0.00 53.44 52.96 1xym n ALA 777 Cb 0.58 -1.37 0.07 0.00 0.00 0.00 0.00 19.45 18.74 1xym n ALA 777 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xym n GLY 778 N 0.99 -0.51 3.76 0.00 0.00 -0.93 -4.94 105.19 103.56 1xym n GLY 778 Ca 0.20 0.23 -0.41 0.00 0.00 0.00 0.00 46.02 46.03 1xym n GLY 778 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1xym s TYR 779 N -3.33 2.80 -0.78 1.61 5.04 -0.52 -4.92 117.35 117.25 1xym s TYR 779 Ca 0.50 0.97 0.07 0.00 -2.44 0.00 0.00 57.07 56.17 1xym s TYR 779 Cb -0.22 -3.97 0.11 0.00 0.35 0.00 0.00 41.96 38.23 1xym s TYR 779 CO 0.74 -3.11 0.89 0.39 -1.34 0.00 0.00 175.55 173.12 1xym n GLU 780 N 1.75 1.07 -1.69 4.97 1.02 -1.26 -4.93 120.64 121.57 1xym n GLU 780 Ca 0.06 -1.27 -0.23 0.00 -0.02 0.00 0.00 57.16 55.70 1xym n GLU 780 Cb 0.39 -1.15 0.16 0.00 -0.02 0.00 0.00 31.44 30.81 1xym n GLU 780 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xym n GLY 781 N 0.31 -1.04 3.69 0.62 0.00 -1.26 -5.03 105.19 102.48 1xym n GLY 781 Ca 0.05 -1.76 -0.39 0.00 0.00 0.00 0.00 46.02 43.92 1xym n GLY 781 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1xym n PRO 782 N -3.17 1.58 -3.46 1.61 -0.02 -1.26 -4.95 135.00 125.32 1xym n PRO 782 Ca 0.14 0.57 -0.43 0.00 -2.02 0.00 0.00 63.50 61.76 1xym n PRO 782 Cb 0.48 -2.38 -0.04 0.00 -0.02 0.00 0.00 33.50 31.54 1xym n PRO 782 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1xym s ARG 783 N -2.55 3.29 0.02 -0.52 3.00 -0.72 -4.33 118.95 117.15 1xym s ARG 783 Ca 0.68 -2.53 -0.20 0.00 0.00 0.00 0.00 55.73 53.68 1xym s ARG 783 Cb -0.46 -4.21 -0.06 0.00 0.00 0.00 0.00 34.95 30.22 1xym s ARG 783 CO 0.52 -1.25 0.59 -1.58 0.00 0.00 0.00 175.30 173.58 1xym s HIS 784 N 0.01 3.73 -0.26 -0.53 2.46 -1.16 -1.85 115.29 117.69 1xym s HIS 784 Ca 0.18 1.23 -0.07 0.00 0.47 0.00 0.00 55.06 56.87 1xym s HIS 784 Cb -0.13 -2.57 -0.02 0.00 -0.13 0.00 0.00 32.58 29.73 1xym s HIS 784 CO -0.07 0.44 0.08 -0.06 -2.47 0.00 0.00 174.74 172.65 1xym s PHE 785 N -0.52 3.10 -0.69 3.88 0.08 -0.02 -0.32 117.98 123.48 1xym s PHE 785 Ca 0.30 -0.52 -0.01 0.00 0.12 0.00 0.00 56.93 56.83 1xym s PHE 785 Cb -0.19 -2.25 0.17 0.00 -0.57 0.00 0.00 43.02 40.19 1xym s PHE 785 CO 0.18 -0.40 0.51 0.34 -0.10 0.00 0.00 175.22 175.74 1xym s ASP 786 N 1.60 5.23 0.21 1.36 -1.08 -1.03 -3.75 116.67 119.22 1xym s ASP 786 Ca 0.06 -3.24 0.01 0.00 -0.52 0.00 0.00 52.55 48.86 1xym s ASP 786 Cb -0.16 -1.81 -0.05 0.00 -1.46 0.00 0.00 42.92 39.45 1xym s ASP 786 CO 0.04 -0.26 0.06 0.72 0.52 0.00 0.00 175.17 176.24 1xym s PHE 787 N -0.62 1.35 -0.19 -5.34 -0.71 -1.26 -4.64 117.98 106.57 1xym s PHE 787 Ca 0.21 -1.12 -0.01 0.00 -1.04 0.00 0.00 56.93 54.96 1xym s PHE 787 Cb -0.16 -0.77 0.05 0.00 -1.21 0.00 0.00 43.02 40.93 1xym s PHE 787 CO -0.07 -0.31 -0.02 0.15 -1.34 0.00 0.00 175.22 173.64 1xym s LYS 788 N -3.99 1.16 0.05 1.99 1.02 0.58 -4.40 119.74 116.16 1xym s LYS 788 Ca 0.31 -0.58 -0.35 0.00 0.02 0.00 0.00 55.97 55.37 1xym s LYS 788 Cb 0.07 -2.15 -0.14 0.00 -0.52 0.00 0.00 37.83 35.08 1xym s LYS 788 CO 0.09 -0.55 1.59 -2.30 -0.92 0.00 0.00 175.35 173.27 1xym n PRO 789 N 4.90 1.82 -1.51 -1.68 -0.02 -1.26 -4.65 135.00 132.59 1xym n PRO 789 Ca -0.11 0.66 -0.43 0.00 -2.02 0.00 0.00 63.50 61.60 1xym n PRO 789 Cb 0.47 -2.41 -0.00 0.00 -0.02 0.00 0.00 33.50 31.54 1xym n PRO 789 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1xym n PRO 790 N 4.01 0.86 0.00 0.52 -0.02 -1.26 -4.86 135.00 134.25 1xym n PRO 790 Ca 0.19 0.31 0.09 0.00 -2.02 0.00 0.00 63.50 62.07 1xym n PRO 790 Cb 0.25 -1.64 0.49 0.00 -0.02 0.00 0.00 33.50 32.59 1xym n PRO 790 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 1xym n ARG 791 N 0.59 0.38 0.26 -0.52 1.85 -1.26 -1.63 116.66 116.33 1xym n ARG 791 Ca 0.11 0.07 0.17 0.00 -1.00 0.00 0.00 57.85 57.20 1xym n ARG 791 Cb 0.36 -1.50 0.66 0.00 -1.05 0.00 0.00 32.46 30.93 1xym n ARG 791 CO 0.00 0.00 0.00 1.79 -0.01 0.00 0.00 177.63 179.41 1xym h THR 792 N 0.00 0.00 -3.43 8.89 1.35 -1.97 -3.45 112.91 114.30 1xym h THR 792 Ca 0.00 -0.49 -0.54 0.00 -0.55 0.00 0.00 66.41 64.83 1xym h THR 792 Cb 0.11 1.46 -0.04 0.00 -1.73 0.00 0.00 68.15 67.95 1xym h THR 792 CO 0.00 0.00 0.06 -1.61 -0.25 0.00 0.00 175.52 173.72 1xym s GLU 793 N -3.63 4.30 0.18 4.72 0.41 -0.65 -5.11 118.70 118.93 1xym s GLU 793 Ca 0.02 0.87 -0.02 0.00 -0.41 0.00 0.00 54.97 55.43 1xym s GLU 793 Cb 0.09 -3.11 0.04 0.00 -1.78 0.00 0.00 34.13 29.37 1xym s GLU 793 CO 0.53 0.53 0.25 -0.40 -0.49 0.00 0.00 175.26 175.68 1xym n ASP 794 N 1.29 0.15 0.24 -0.19 5.68 -1.26 -4.83 116.55 117.63 1xym n ASP 794 Ca -0.06 -1.17 0.07 0.00 -0.50 0.00 0.00 54.79 53.13 1xym n ASP 794 Cb 0.50 -0.18 0.58 0.00 -1.14 0.00 0.00 41.12 40.89 1xym n ASP 794 CO 0.00 0.00 0.00 -0.29 -1.33 0.00 0.00 177.20 175.58 1xym h ILE 795 N -0.81 1.05 -0.45 2.12 6.09 -1.99 -1.40 117.51 122.12 1xym h ILE 795 Ca -0.08 -0.25 -0.13 0.00 -1.37 0.00 0.00 64.86 63.03 1xym h ILE 795 Cb 0.26 1.12 -0.01 0.00 0.47 0.00 0.00 36.82 38.65 1xym h ILE 795 CO 0.07 0.07 -0.22 0.44 -3.07 0.00 0.00 178.15 175.44 1xym h ASP 796 N 0.01 0.93 0.30 2.19 3.32 -2.00 -2.71 116.42 118.46 1xym h ASP 796 Ca 0.00 -0.35 -0.05 0.00 0.02 0.00 0.00 57.03 56.65 1xym h ASP 796 Cb 0.13 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.41 1xym h ASP 796 CO 0.01 1.11 -0.26 1.23 -1.72 0.00 0.00 179.24 179.61 1xym h GLY 797 N 0.91 0.00 0.84 2.75 0.00 -1.67 -0.94 103.07 104.96 1xym h GLY 797 Ca 0.10 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.43 1xym h GLY 797 CO 0.06 0.00 0.03 -2.08 0.00 0.00 0.00 176.54 174.56 1xym h VAL 798 N 0.00 1.17 0.00 4.60 2.07 -1.03 -1.35 116.25 121.71 1xym h VAL 798 Ca -0.00 -0.52 -0.15 0.00 0.82 0.00 0.00 66.70 66.85 1xym h VAL 798 Cb 0.48 1.33 -0.02 0.00 -1.52 0.00 0.00 31.29 31.56 1xym h VAL 798 CO 0.03 0.15 -0.72 -0.50 0.02 0.00 0.00 177.57 176.55 1xym h TRP 799 N -0.02 0.00 -0.68 1.57 -0.00 -1.25 -2.54 115.95 113.03 1xym h TRP 799 Ca 0.03 0.00 -0.05 0.00 -0.00 0.00 0.00 58.89 58.87 1xym h TRP 799 Cb 0.21 0.00 -0.03 0.00 -0.00 0.00 0.00 29.16 29.34 1xym h TRP 799 CO -0.01 0.72 0.22 0.00 -0.00 0.00 0.00 178.44 179.38 1xym h ALA 800 N 1.28 1.11 -0.44 1.49 0.00 -1.05 -1.59 119.26 120.05 1xym h ALA 800 Ca -0.01 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.64 1xym h ALA 800 Cb 1.33 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 1xym h ALA 800 CO 0.09 0.62 0.05 1.03 0.00 0.00 0.00 179.25 181.04 1xym h SER 801 N 1.01 0.72 -0.63 0.00 0.87 -1.10 -1.02 113.55 113.40 1xym h SER 801 Ca 0.22 -0.28 -0.09 0.00 -1.23 0.00 0.00 61.79 60.41 1xym h SER 801 Cb 0.27 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 62.01 1xym h SER 801 CO -0.01 0.82 0.03 0.00 -0.53 0.00 0.00 176.83 177.14 1xym h ALA 802 N 0.93 0.86 -0.84 6.23 0.00 -1.37 -2.42 119.26 122.65 1xym h ALA 802 Ca 0.13 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 1xym h ALA 802 Cb 0.42 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 1xym h ALA 802 CO 0.01 0.67 0.42 0.00 0.00 0.00 0.00 179.25 180.36 1xym h ALA 803 N 1.02 1.08 0.00 0.00 0.00 -1.11 -2.39 119.26 117.86 1xym h ALA 803 Ca 0.18 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1xym h ALA 803 Cb 0.53 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 1xym h ALA 803 CO 0.03 0.63 -0.13 0.78 0.00 0.00 0.00 179.25 180.56 1xym h GLY 804 N 1.19 0.00 0.92 0.00 0.00 -0.75 -1.77 103.07 102.65 1xym h GLY 804 Ca 0.29 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.61 1xym h GLY 804 CO -0.04 0.00 -0.08 0.00 0.00 0.00 0.00 176.54 176.42 1xym h MET 806 N -0.30 0.33 -0.62 0.00 2.86 -1.50 -2.60 114.93 113.10 1xym h MET 806 Ca -0.02 -0.11 0.10 0.00 -2.06 0.00 0.00 59.70 57.60 1xym h MET 806 Cb 0.24 -0.03 -0.07 0.00 0.06 0.00 0.00 31.60 31.80 1xym h MET 806 CO 0.04 0.56 0.24 -0.09 1.06 0.00 0.00 176.91 178.72 1xym h ARG 807 N 0.07 0.41 -0.20 1.72 2.43 -1.34 -0.29 114.38 117.19 1xym h ARG 807 Ca 0.05 -0.02 -0.13 0.00 -0.81 0.00 0.00 59.98 59.07 1xym h ARG 807 Cb 0.42 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.87 1xym h ARG 807 CO 0.01 0.27 -0.43 -0.91 -1.51 0.00 0.00 179.97 177.40 1xym h ASN 808 N 0.42 0.50 -0.16 -3.80 -0.26 -1.18 -0.63 115.58 110.47 1xym h ASN 808 Ca 0.31 -0.22 -0.02 0.00 -0.56 0.00 0.00 56.30 55.81 1xym h ASN 808 Cb 0.39 -0.14 -0.01 0.00 -1.06 0.00 0.00 38.32 37.50 1xym h ASN 808 CO -0.31 0.86 0.03 0.22 -1.06 0.00 0.00 177.43 177.18 1xym h TYR 809 N 0.38 0.27 -0.04 1.19 5.03 -1.17 -1.03 116.97 121.61 1xym h TYR 809 Ca 0.03 -0.04 -0.08 0.00 2.58 0.00 0.00 58.73 61.22 1xym h TYR 809 Cb 0.91 -0.08 -0.01 0.00 1.55 0.00 0.00 36.73 39.10 1xym h TYR 809 CO 0.03 0.41 -0.37 -0.07 -1.32 0.00 0.00 178.16 176.85 1xym h LEU 810 N 0.05 0.07 -0.16 2.82 3.38 -0.48 -0.85 115.31 120.15 1xym h LEU 810 Ca 0.05 -0.03 -0.08 0.00 0.09 0.00 0.00 57.88 57.91 1xym h LEU 810 Cb 0.28 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 1xym h LEU 810 CO 0.00 0.44 -0.23 0.40 0.09 0.00 0.00 178.44 179.13 1xym h ILE 811 N 0.06 1.35 -0.28 1.22 2.04 -1.01 -2.81 117.51 118.08 1xym h ILE 811 Ca 0.01 -1.45 -0.05 0.00 1.00 0.00 0.00 64.86 64.36 1xym h ILE 811 Cb 0.68 1.93 -0.02 0.00 -0.74 0.00 0.00 36.82 38.67 1xym h ILE 811 CO 0.05 0.43 -0.03 -0.07 0.00 0.00 0.00 178.15 178.53 1xym h LEU 812 N 0.06 0.41 -0.57 1.44 3.38 -0.85 -1.93 115.31 117.25 1xym h LEU 812 Ca 0.02 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 1xym h LEU 812 Cb 0.80 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.42 1xym h LEU 812 CO 0.05 0.50 0.29 0.50 0.09 0.00 0.00 178.44 179.87 1xym h LYS 813 N 0.42 0.82 -0.29 1.13 3.64 -1.16 -1.27 116.57 119.86 1xym h LYS 813 Ca 0.09 -0.11 -0.02 0.00 -1.27 0.00 0.00 60.65 59.34 1xym h LYS 813 Cb 0.33 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 1xym h LYS 813 CO 0.01 0.66 0.11 1.49 -2.27 0.00 0.00 179.45 179.45 1xym h GLU 814 N 0.78 0.43 -0.25 1.90 4.81 -1.16 -2.13 114.58 118.96 1xym h GLU 814 Ca 0.20 -0.08 -0.15 0.00 -0.13 0.00 0.00 59.36 59.20 1xym h GLU 814 Cb 0.10 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 1xym h GLU 814 CO -0.03 0.46 -0.44 0.00 -0.73 0.00 0.00 179.01 178.27 1xym h ARG 815 N 0.31 0.63 -0.38 1.92 2.47 -1.18 -1.87 114.38 116.28 1xym h ARG 815 Ca 0.10 -0.34 -0.08 0.00 -1.26 0.00 0.00 59.98 58.39 1xym h ARG 815 Cb 0.19 0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.51 1xym h ARG 815 CO -0.01 0.95 -0.07 0.00 0.56 0.00 0.00 179.97 181.40 1xym h ALA 816 N 1.00 0.52 -0.57 0.04 0.00 -1.23 -1.42 119.26 117.60 1xym h ALA 816 Ca 0.04 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 1xym h ALA 816 Cb 0.97 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 1xym h ALA 816 CO 0.09 0.36 0.33 0.00 0.00 0.00 0.00 179.25 180.03 1xym h ALA 817 N 0.84 0.73 -0.65 0.00 0.00 -1.37 -1.76 119.26 117.06 1xym h ALA 817 Ca 0.10 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1xym h ALA 817 Cb 0.57 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 1xym h ALA 817 CO 0.03 0.22 0.37 0.00 0.00 0.00 0.00 179.25 179.88 1xym h ALA 818 N 1.16 0.82 0.17 0.00 0.00 -1.30 -1.21 119.26 118.90 1xym h ALA 818 Ca 0.20 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1xym h ALA 818 Cb 0.00 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1xym h ALA 818 CO -0.04 0.32 -0.16 0.35 0.00 0.00 0.00 179.25 179.72 1xym h PHE 819 N 0.88 -0.43 0.00 0.00 3.57 -0.86 -2.25 116.94 117.85 1xym h PHE 819 Ca 0.23 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.68 1xym h PHE 819 Cb 0.01 0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.91 1xym h PHE 819 CO -0.01 -0.25 -0.26 0.00 -2.23 0.00 0.00 178.31 175.56 1xym h ARG 820 N -0.36 0.00 0.00 1.11 2.47 -1.29 -3.07 114.38 113.24 1xym h ARG 820 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1xym h ARG 820 Cb 0.34 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.66 1xym h ARG 820 CO -0.04 0.26 -0.34 0.00 0.56 0.00 0.00 179.97 180.41 1xym n ALA 821 N -2.40 2.87 -2.11 0.04 0.00 -0.46 -4.77 120.51 113.68 1xym n ALA 821 Ca -0.02 -0.21 -0.42 0.00 0.00 0.00 0.00 53.44 52.79 1xym n ALA 821 Cb 0.34 -1.27 -0.03 0.00 0.00 0.00 0.00 19.45 18.48 1xym n ALA 821 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1xym s ASP 822 N -3.62 6.75 0.25 0.00 -1.08 -0.86 -4.94 116.67 113.17 1xym s ASP 822 Ca 0.10 2.29 -0.04 0.00 -0.52 0.00 0.00 52.55 54.38 1xym s ASP 822 Cb 0.16 -2.57 0.40 0.00 -1.46 0.00 0.00 42.92 39.45 1xym s ASP 822 CO 0.65 -0.77 1.83 -0.65 0.52 0.00 0.00 175.17 176.75 1xym h PRO 823 N 7.79 0.85 -0.51 4.34 0.11 -1.91 -1.39 132.00 141.29 1xym h PRO 823 Ca -0.40 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.65 1xym h PRO 823 Cb 1.19 -0.19 -0.03 0.00 0.11 0.00 0.00 31.00 32.08 1xym h PRO 823 CO 0.91 0.56 0.30 1.49 -0.21 0.00 0.00 178.00 181.05 1xym h GLU 824 N 0.87 0.68 -0.17 1.05 4.81 -1.96 -1.68 114.58 118.19 1xym h GLU 824 Ca 0.41 -0.05 -0.17 0.00 -0.13 0.00 0.00 59.36 59.41 1xym h GLU 824 Cb 0.33 -0.15 0.01 0.00 0.63 0.00 0.00 28.75 29.57 1xym h GLU 824 CO -0.23 0.48 -0.57 0.28 -0.73 0.00 0.00 179.01 178.24 1xym h VAL 825 N 0.70 1.31 -0.58 0.32 2.07 -1.57 -1.67 116.25 116.83 1xym h VAL 825 Ca 0.18 -1.81 -0.01 0.00 0.82 0.00 0.00 66.70 65.88 1xym h VAL 825 Cb -0.03 1.96 -0.03 0.00 -1.52 0.00 0.00 31.29 31.68 1xym h VAL 825 CO -0.03 0.56 0.30 1.56 0.02 0.00 0.00 177.57 179.98 1xym h GLN 826 N 0.38 0.80 -0.17 1.57 4.20 -0.63 0.25 115.11 121.51 1xym h GLN 826 Ca -0.02 -0.09 -0.06 0.00 0.06 0.00 0.00 58.65 58.54 1xym h GLN 826 Cb 1.20 -0.16 -0.00 0.00 0.30 0.00 0.00 27.48 28.81 1xym h GLN 826 CO 0.12 0.60 -0.12 1.49 -0.67 0.00 0.00 178.83 180.25 1xym h GLU 827 N 0.81 0.38 -0.69 1.46 4.81 -1.33 -2.28 114.58 117.73 1xym h GLU 827 Ca 0.20 -0.18 -0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1xym h GLU 827 Cb 0.05 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.40 1xym h GLU 827 CO -0.03 0.72 0.41 0.00 -0.73 0.00 0.00 179.01 179.38 1xym h ALA 828 N 0.65 1.43 -0.52 2.92 0.00 -0.63 -0.07 119.26 123.03 1xym h ALA 828 Ca 0.03 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1xym h ALA 828 Cb 0.64 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1xym h ALA 828 CO 0.03 0.49 0.19 -0.07 0.00 0.00 0.00 179.25 179.90 1xym h LEU 829 N 0.95 0.73 -0.51 0.00 3.38 -0.91 -0.80 115.31 118.14 1xym h LEU 829 Ca 0.25 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1xym h LEU 829 Cb -0.03 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 1xym h LEU 829 CO -0.05 0.72 0.30 0.03 0.09 0.00 0.00 178.44 179.53 1xym h ARG 830 N 0.70 0.70 -0.21 1.13 3.08 -0.95 -1.92 114.38 116.92 1xym h ARG 830 Ca 0.17 -0.07 0.01 0.00 0.07 0.00 0.00 59.98 60.16 1xym h ARG 830 Cb 0.23 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 1xym h ARG 830 CO -0.01 0.52 0.14 0.00 -1.07 0.00 0.00 179.97 179.55 1xym h ALA 831 N 1.14 1.92 -0.48 0.04 0.00 -0.58 -1.52 119.26 119.78 1xym h ALA 831 Ca 0.18 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1xym h ALA 831 Cb 0.01 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1xym h ALA 831 CO -0.03 0.06 0.00 0.43 0.00 0.00 0.00 179.25 179.71 1xym n SER 832 N -4.51 2.78 -2.90 0.00 7.64 -0.35 -4.77 113.62 111.51 1xym n SER 832 Ca 0.00 -1.97 -0.22 0.00 1.01 0.00 0.00 58.87 57.70 1xym n SER 832 Cb 0.12 -0.32 0.03 0.00 -1.01 0.00 0.00 64.21 63.03 1xym n SER 832 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1xym n ARG 833 N 1.02 -4.74 0.20 1.43 3.00 -0.57 -4.90 116.66 112.10 1xym n ARG 833 Ca 0.18 0.88 0.06 0.00 -0.01 0.00 0.00 57.85 58.96 1xym n ARG 833 Cb 0.45 -5.67 0.44 0.00 0.00 0.00 0.00 32.46 27.68 1xym n ARG 833 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.63 177.56 1xym h LEU 834 N -1.35 0.00 -0.42 0.55 3.38 -1.60 -2.52 115.31 113.35 1xym h LEU 834 Ca -0.51 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.45 1xym h LEU 834 Cb 1.35 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.08 1xym h LEU 834 CO 0.55 0.31 0.24 -2.24 0.09 0.00 0.00 178.44 177.40 1xym h ASP 835 N 0.00 0.52 0.49 -0.43 2.03 -1.88 -3.00 116.42 114.15 1xym h ASP 835 Ca -0.00 -0.07 -0.02 0.00 -0.73 0.00 0.00 57.03 56.20 1xym h ASP 835 Cb 0.69 -0.13 -0.00 0.00 -0.83 0.00 0.00 39.33 39.05 1xym h ASP 835 CO 0.04 0.44 -0.10 -0.33 -1.03 0.00 0.00 179.24 178.27 1xym h GLU 836 N 0.55 0.00 -0.19 4.15 5.08 -1.84 -1.51 114.58 120.83 1xym h GLU 836 Ca 0.15 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.49 1xym h GLU 836 Cb 0.03 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 1xym h GLU 836 CO -0.03 0.10 0.05 1.25 -1.00 0.00 0.00 179.01 179.37 1xym h LEU 837 N 0.00 0.23 -0.29 1.33 5.85 -1.35 -2.86 115.31 118.23 1xym h LEU 837 Ca -0.00 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.70 1xym h LEU 837 Cb 0.37 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.34 1xym h LEU 837 CO 0.01 0.24 0.00 0.00 -0.34 0.00 0.00 178.44 178.36 1xym h ALA 838 N 1.79 1.00 -2.63 1.25 0.00 -1.28 -3.44 119.26 115.95 1xym h ALA 838 Ca 0.07 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.45 1xym h ALA 838 Cb 0.11 0.00 0.02 0.00 0.00 0.00 0.00 17.79 17.92 1xym h ALA 838 CO -0.00 0.00 0.63 -0.65 0.00 0.00 0.00 179.25 179.23 1xym s GLN 839 N -3.24 4.41 0.29 0.00 -0.21 -1.08 -5.00 119.66 114.82 1xym s GLN 839 Ca 0.07 1.98 -0.29 0.00 0.02 0.00 0.00 55.36 57.14 1xym s GLN 839 Cb 0.09 -3.23 -0.13 0.00 1.00 0.00 0.00 33.01 30.73 1xym s GLN 839 CO 0.59 -0.24 1.23 -2.30 -2.12 0.00 0.00 175.29 172.44 1xym n PRO 840 N 2.97 1.80 -0.20 2.91 -0.02 -1.26 -4.89 135.00 136.31 1xym n PRO 840 Ca 0.07 0.64 -0.08 0.00 -2.02 0.00 0.00 63.50 62.10 1xym n PRO 840 Cb 0.44 -2.17 0.02 0.00 -0.02 0.00 0.00 33.50 31.77 1xym n PRO 840 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 1xym h THR 841 N 2.52 1.24 -0.90 3.45 2.02 -1.94 -3.39 112.91 115.91 1xym h THR 841 Ca -0.44 -0.83 -0.36 0.00 0.77 0.00 0.00 66.41 65.55 1xym h THR 841 Cb 1.30 0.72 -0.25 0.00 -1.74 0.00 0.00 68.15 68.18 1xym h THR 841 CO 0.66 0.31 -0.75 0.00 0.37 0.00 0.00 175.52 176.11 1xym n ALA 842 N -2.39 0.21 0.21 6.16 0.00 -1.26 -4.96 120.51 118.48 1xym n ALA 842 Ca 0.03 -2.23 0.06 0.00 0.00 0.00 0.00 53.44 51.29 1xym n ALA 842 Cb 0.21 -1.12 0.47 0.00 0.00 0.00 0.00 19.45 19.02 1xym n ALA 842 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xym h ALA 843 N 4.08 1.36 0.00 0.00 0.00 -1.98 -2.29 119.26 120.42 1xym h ALA 843 Ca -0.04 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1xym h ALA 843 Cb 0.97 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1xym h ALA 843 CO 0.37 0.35 0.00 -0.25 0.00 0.00 0.00 179.25 179.72 1xym n ASP 844 N -3.95 0.00 0.00 0.00 9.92 -1.26 -4.98 116.55 116.28 1xym n ASP 844 Ca -0.02 -1.28 0.00 0.00 -0.53 0.00 0.00 54.79 52.96 1xym n ASP 844 Cb 0.35 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.83 1xym n ASP 844 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1xym n GLY 845 N 0.31 -1.01 0.25 0.44 0.00 -0.86 -4.27 105.19 100.05 1xym n GLY 845 Ca 0.05 -1.65 -0.07 0.00 0.00 0.00 0.00 46.02 44.36 1xym n GLY 845 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1xym h VAL 846 N 0.00 1.27 -0.70 1.61 3.04 -1.94 -2.66 116.25 116.87 1xym h VAL 846 Ca 0.00 -1.35 -0.07 0.00 -1.01 0.00 0.00 66.70 64.27 1xym h VAL 846 Cb 0.00 1.29 -0.03 0.00 -2.01 0.00 0.00 31.29 30.54 1xym h VAL 846 CO 0.00 0.44 0.18 1.56 -1.01 0.00 0.00 177.57 178.75 1xym h GLN 847 N 0.59 1.12 -0.33 4.17 7.50 -2.00 -1.15 115.11 125.00 1xym h GLN 847 Ca 0.08 -0.26 -0.11 0.00 0.50 0.00 0.00 58.65 58.86 1xym h GLN 847 Cb 0.74 -0.15 -0.01 0.00 0.05 0.00 0.00 27.48 28.11 1xym h GLN 847 CO 0.06 0.98 -0.25 0.93 -1.50 0.00 0.00 178.83 179.04 1xym h GLU 848 N 1.05 0.67 -0.57 1.46 4.39 -1.72 -2.27 114.58 117.59 1xym h GLU 848 Ca 0.22 -0.27 -0.02 0.00 0.34 0.00 0.00 59.36 59.63 1xym h GLU 848 Cb 0.35 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 28.95 1xym h GLU 848 CO -0.00 0.86 0.27 1.25 -1.16 0.00 0.00 179.01 180.23 1xym h LEU 849 N 0.58 0.75 -1.09 1.33 5.85 -1.14 -1.48 115.31 120.11 1xym h LEU 849 Ca 0.08 -0.13 -0.08 0.00 0.84 0.00 0.00 57.88 58.58 1xym h LEU 849 Cb 0.74 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.56 1xym h LEU 849 CO 0.06 0.67 -0.26 -0.07 -0.34 0.00 0.00 178.44 178.50 1xym h LEU 850 N 0.77 0.32 0.00 2.25 3.38 -1.10 -2.44 115.31 118.47 1xym h LEU 850 Ca 0.19 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1xym h LEU 850 Cb 0.13 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1xym h LEU 850 CO -0.02 0.58 0.00 0.00 0.09 0.00 0.00 178.44 179.09 1xym n ALA 851 N -2.48 2.42 -2.61 1.53 0.00 -0.87 -4.73 120.51 113.77 1xym n ALA 851 Ca -0.01 -0.13 -0.43 0.00 0.00 0.00 0.00 53.44 52.87 1xym n ALA 851 Cb 0.38 -1.48 -0.06 0.00 0.00 0.00 0.00 19.45 18.30 1xym n ALA 851 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1xym s ASP 852 N -2.68 6.33 0.43 0.00 -1.08 -0.60 -4.91 116.67 114.16 1xym s ASP 852 Ca 0.24 -0.41 0.20 0.00 -0.52 0.00 0.00 52.55 52.06 1xym s ASP 852 Cb 0.20 -2.36 0.97 0.00 -1.46 0.00 0.00 42.92 40.27 1xym s ASP 852 CO 0.47 -0.95 1.89 0.03 0.52 0.00 0.00 175.17 177.13 1xym h ARG 853 N 9.03 0.00 0.00 4.34 3.08 -1.86 -2.58 114.38 126.40 1xym h ARG 853 Ca -0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.79 1xym h ARG 853 Cb 1.09 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.14 1xym h ARG 853 CO 0.97 0.27 0.00 1.79 -1.07 0.00 0.00 179.97 181.94 1xym h THR 854 N 0.00 0.00 0.00 2.04 1.35 -1.91 0.13 112.91 114.53 1xym h THR 854 Ca -0.00 -0.44 -0.01 0.00 -0.55 0.00 0.00 66.41 65.41 1xym h THR 854 Cb 0.60 1.38 -0.00 0.00 -1.73 0.00 0.00 68.15 68.40 1xym h THR 854 CO 0.04 0.00 -0.06 0.00 -0.25 0.00 0.00 175.52 175.25 1xym h ALA 855 N 2.06 0.97 0.00 6.62 0.00 -1.80 -3.24 119.26 123.87 1xym h ALA 855 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1xym h ALA 855 Cb 0.47 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1xym h ALA 855 CO 0.00 0.07 0.00 0.34 0.00 0.00 0.00 179.25 179.66 1xym n PHE 856 N -3.12 -1.25 0.16 0.00 7.35 -0.98 -4.78 117.46 114.83 1xym n PHE 856 Ca 0.03 0.19 0.01 0.00 -0.76 0.00 0.00 57.45 56.92 1xym n PHE 856 Cb 0.51 0.75 0.31 0.00 0.35 0.00 0.00 39.48 41.39 1xym n PHE 856 CO 0.00 0.00 0.00 1.05 -0.76 0.00 0.00 176.76 177.05 1xym h GLU 857 N 0.00 0.04 -0.42 -4.13 9.09 -1.82 -2.91 114.58 114.43 1xym h GLU 857 Ca 0.00 -0.02 0.00 0.00 0.05 0.00 0.00 59.36 59.39 1xym h GLU 857 Cb 0.00 -0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 1xym h GLU 857 CO 0.00 0.45 0.00 -0.25 0.05 0.00 0.00 179.01 179.26 1xym n ASP 858 N -4.04 3.77 -4.72 3.06 8.00 0.44 -4.99 116.55 118.06 1xym n ASP 858 Ca -0.02 -2.44 -0.42 0.00 0.71 0.00 0.00 54.79 52.63 1xym n ASP 858 Cb 0.45 -0.43 -0.03 0.00 -0.02 0.00 0.00 41.12 41.08 1xym n ASP 858 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 1xym s PHE 859 N -1.80 3.46 -0.71 1.24 5.36 -1.10 -4.83 117.98 119.60 1xym s PHE 859 Ca 0.38 1.38 -0.21 0.00 -0.96 0.00 0.00 56.93 57.51 1xym s PHE 859 Cb 0.25 -3.40 0.09 0.00 -0.34 0.00 0.00 43.02 39.63 1xym s PHE 859 CO 0.17 -1.15 0.95 0.34 -1.46 0.00 0.00 175.22 174.07 1xym s ASP 860 N 0.66 6.28 0.12 6.13 -1.08 -1.26 -4.86 116.67 122.67 1xym s ASP 860 Ca 0.56 -1.34 -0.16 0.00 -0.52 0.00 0.00 52.55 51.08 1xym s ASP 860 Cb -0.30 -2.39 -0.03 0.00 -1.46 0.00 0.00 42.92 38.74 1xym s ASP 860 CO 0.32 -1.28 1.62 0.58 0.52 0.00 0.00 175.17 176.92 1xym h VAL 861 N 5.92 1.22 -0.21 1.11 2.07 -1.96 -2.70 116.25 121.70 1xym h VAL 861 Ca -0.18 -0.75 -0.17 0.00 0.82 0.00 0.00 66.70 66.42 1xym h VAL 861 Cb 1.06 1.03 -0.00 0.00 -1.52 0.00 0.00 31.29 31.86 1xym h VAL 861 CO 1.15 0.25 -0.57 0.44 0.02 0.00 0.00 177.57 178.86 1xym h ASP 862 N 0.43 0.74 -0.30 0.57 3.32 -1.99 -1.14 116.42 118.05 1xym h ASP 862 Ca 0.11 -0.40 -0.06 0.00 0.02 0.00 0.00 57.03 56.70 1xym h ASP 862 Cb 0.29 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.61 1xym h ASP 862 CO 0.00 1.15 -0.00 0.00 -1.72 0.00 0.00 179.24 178.67 1xym h ALA 863 N 0.86 1.24 -0.11 3.45 0.00 -1.96 -2.30 119.26 120.43 1xym h ALA 863 Ca 0.01 -0.23 -0.20 0.00 0.00 0.00 0.00 54.91 54.48 1xym h ALA 863 Cb 1.14 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1xym h ALA 863 CO 0.11 0.51 -0.75 0.00 0.00 0.00 0.00 179.25 179.12 1xym h ALA 864 N 1.39 0.48 -0.00 0.00 0.00 -1.34 -3.15 119.26 116.63 1xym h ALA 864 Ca 0.13 -0.60 -0.05 0.00 0.00 0.00 0.00 54.91 54.38 1xym h ALA 864 Cb 0.39 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1xym h ALA 864 CO 0.01 0.73 -0.26 0.00 0.00 0.00 0.00 179.25 179.74 1xym h ALA 865 N 0.78 1.57 0.00 0.00 0.00 -0.98 -2.32 119.26 118.30 1xym h ALA 865 Ca -0.04 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1xym h ALA 865 Cb 1.35 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1xym h ALA 865 CO 0.14 0.33 0.00 0.00 0.00 0.00 0.00 179.25 179.72 1xym n ALA 866 N -2.49 2.45 -2.27 0.00 0.00 -0.89 -4.77 120.51 112.54 1xym n ALA 866 Ca -0.02 -0.13 -0.43 0.00 0.00 0.00 0.00 53.44 52.86 1xym n ALA 866 Cb 0.31 -1.48 -0.02 0.00 0.00 0.00 0.00 19.45 18.25 1xym n ALA 866 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1xym s ARG 867 N -2.64 4.00 0.48 0.00 0.52 -0.88 -4.99 118.95 115.43 1xym s ARG 867 Ca 0.26 1.62 -0.21 0.00 -0.52 0.00 0.00 55.73 56.88 1xym s ARG 867 Cb 0.20 -3.91 -0.08 0.00 0.52 0.00 0.00 34.95 31.67 1xym s ARG 867 CO 0.47 -1.03 1.05 0.20 0.02 0.00 0.00 175.30 176.01 1xym s GLY 868 N 3.11 2.56 0.00 -3.53 0.00 -1.26 -4.94 107.32 103.26 1xym s GLY 868 Ca 0.63 0.65 0.28 0.00 0.00 0.00 0.00 44.72 46.28 1xym s GLY 868 CO 0.24 0.99 1.79 1.03 0.00 0.00 0.00 173.10 177.14 1xym n MET 869 N -0.84 0.32 -2.94 2.90 0.00 -1.26 -4.92 117.12 110.39 1xym n MET 869 Ca 0.09 -0.10 -0.19 0.00 0.00 0.00 0.00 57.70 57.49 1xym n MET 869 Cb 0.52 -1.50 0.00 0.00 0.00 0.00 0.00 33.22 32.24 1xym n MET 869 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1xym n ALA 870 N -1.25 -0.93 0.10 3.04 0.00 -1.26 -4.12 120.51 116.09 1xym n ALA 870 Ca 0.10 0.14 -0.05 0.00 0.00 0.00 0.00 53.44 53.63 1xym n ALA 870 Cb 0.31 -2.58 0.06 0.00 0.00 0.00 0.00 19.45 17.23 1xym n ALA 870 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 1xym h PHE 871 N -0.70 0.12 -0.40 0.00 0.04 -1.96 -3.13 116.94 110.91 1xym h PHE 871 Ca -0.41 -0.06 -0.13 0.00 2.80 0.00 0.00 57.97 60.17 1xym h PHE 871 Cb 1.29 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 39.41 1xym h PHE 871 CO 0.64 0.81 -0.27 0.93 -0.60 0.00 0.00 178.31 179.82 1xym h GLU 872 N 0.05 0.84 -0.25 1.51 4.39 -1.99 -0.63 114.58 118.50 1xym h GLU 872 Ca -0.02 -0.37 -0.00 0.00 0.34 0.00 0.00 59.36 59.31 1xym h GLU 872 Cb 1.34 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.95 1xym h GLU 872 CO 0.11 1.01 0.15 -0.09 -1.16 0.00 0.00 179.01 179.03 1xym h ARG 873 N 0.72 0.34 -0.65 2.33 2.43 -1.98 0.01 114.38 117.58 1xym h ARG 873 Ca 0.09 -0.03 0.04 0.00 -0.81 0.00 0.00 59.98 59.26 1xym h ARG 873 Cb 0.82 -0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 30.25 1xym h ARG 873 CO 0.07 0.28 0.39 1.25 -1.51 0.00 0.00 179.97 180.44 1xym h LEU 874 N 0.31 0.61 -0.51 3.80 5.85 -1.44 -1.91 115.31 122.02 1xym h LEU 874 Ca 0.09 0.01 -0.17 0.00 0.84 0.00 0.00 57.88 58.66 1xym h LEU 874 Cb 0.02 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 1xym h LEU 874 CO -0.02 0.41 -0.71 -0.78 -0.34 0.00 0.00 178.44 177.00 1xym h ASP 875 N 0.74 0.24 0.57 1.25 3.58 -0.78 -1.25 116.42 120.77 1xym h ASP 875 Ca 0.27 -0.16 -0.07 0.00 0.42 0.00 0.00 57.03 57.49 1xym h ASP 875 Cb 0.09 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 41.05 1xym h ASP 875 CO -0.13 0.88 -0.35 -0.61 -2.88 0.00 0.00 179.24 176.14 1xym h GLN 876 N 0.14 0.00 -0.55 0.28 5.75 -0.63 -0.51 115.11 119.59 1xym h GLN 876 Ca -0.02 0.00 -0.11 0.00 -0.15 0.00 0.00 58.65 58.37 1xym h GLN 876 Cb 1.26 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.80 1xym h GLN 876 CO 0.11 0.35 -0.08 -0.07 -2.65 0.00 0.00 178.83 176.49 1xym h LEU 877 N 0.00 1.03 -0.81 -2.39 3.38 -1.07 -0.17 115.31 115.29 1xym h LEU 877 Ca -0.00 -0.34 -0.11 0.00 0.09 0.00 0.00 57.88 57.51 1xym h LEU 877 Cb 0.73 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 1xym h LEU 877 CO 0.05 1.12 -0.35 0.00 0.09 0.00 0.00 178.44 179.35 1xym h ALA 878 N 0.94 0.98 -0.42 1.53 0.00 -0.52 -2.40 119.26 119.37 1xym h ALA 878 Ca 0.15 -0.40 -0.08 0.00 0.00 0.00 0.00 54.91 54.58 1xym h ALA 878 Cb 0.65 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1xym h ALA 878 CO 0.04 0.61 -0.05 1.98 0.00 0.00 0.00 179.25 181.83 1xym h MET 879 N 0.41 0.77 -0.81 0.00 1.85 -0.88 -1.61 114.93 114.66 1xym h MET 879 Ca 0.05 -0.27 0.00 0.00 -0.61 0.00 0.00 59.70 58.87 1xym h MET 879 Cb 0.80 -0.06 -0.04 0.00 0.43 0.00 0.00 31.60 32.74 1xym h MET 879 CO 0.07 0.87 0.51 -0.44 -0.40 0.00 0.00 176.91 177.51 1xym h ASP 880 N 0.60 0.96 -0.15 1.39 3.32 -0.90 -0.98 116.42 120.66 1xym h ASP 880 Ca 0.11 -0.05 -0.03 0.00 0.02 0.00 0.00 57.03 57.09 1xym h ASP 880 Cb 0.55 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 39.86 1xym h ASP 880 CO 0.03 0.72 -0.01 0.45 -1.72 0.00 0.00 179.24 178.71 1xym h HIS 881 N 1.11 0.30 -0.43 4.55 3.86 -1.37 0.34 115.15 123.49 1xym h HIS 881 Ca 0.29 -0.06 0.06 0.00 -1.16 0.00 0.00 60.37 59.50 1xym h HIS 881 Cb -0.07 -0.08 -0.05 0.00 1.06 0.00 0.00 27.41 28.27 1xym h HIS 881 CO -0.01 0.52 0.14 1.25 0.86 0.00 0.00 177.93 180.69 1xym h LEU 882 N -0.01 0.14 0.00 2.43 5.85 -1.09 -2.03 115.31 120.60 1xym h LEU 882 Ca 0.04 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.81 1xym h LEU 882 Cb 0.41 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.48 1xym h LEU 882 CO 0.01 0.11 0.00 0.18 -0.34 0.00 0.00 178.44 178.40 1xym n LEU 883 N -5.02 0.00 -1.08 2.25 4.77 -0.39 -4.90 117.00 112.62 1xym n LEU 883 Ca 0.03 0.10 -0.11 0.00 -0.03 0.00 0.00 56.01 56.01 1xym n LEU 883 Cb 0.17 -0.10 -0.02 0.00 -2.33 0.00 0.00 43.42 41.13 1xym n LEU 883 CO 0.25 -0.01 -0.13 0.61 -1.33 0.00 0.00 177.39 176.78 1xym n GLY 884 N 0.81 0.43 1.68 -0.72 0.00 -0.39 -4.88 105.19 102.11 1xym n GLY 884 Ca 0.18 -0.47 -0.07 0.00 0.00 0.00 0.00 46.02 45.66 1xym n GLY 884 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xym n ALA 885 N -0.45 4.13 0.00 4.61 0.00 0.11 -5.01 120.51 123.89 1xym n ALA 885 Ca -0.12 -1.71 0.00 0.00 0.00 0.00 0.00 53.44 51.61 1xym n ALA 885 Cb 0.50 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.74 1xym n ALA 885 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39