#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xyc n TYR 502 N 0.00 3.85 -3.20 7.33 4.01 -1.26 -5.04 117.16 122.85 1xyc n TYR 502 Ca 0.00 -3.71 -0.39 0.00 -0.16 0.00 0.00 57.90 53.64 1xyc n TYR 502 Cb 0.00 -0.38 -0.06 0.00 -0.31 0.00 0.00 39.34 38.60 1xyc n TYR 502 CO 0.00 0.00 0.00 -1.14 -0.46 0.00 0.00 176.86 175.26 1xyc s GLN 503 N -3.51 4.29 0.35 -0.72 -0.44 -1.26 -4.63 119.66 113.74 1xyc s GLN 503 Ca 0.49 0.55 -0.27 0.00 -2.50 0.00 0.00 55.36 53.63 1xyc s GLN 503 Cb 0.32 -3.51 -0.09 0.00 -1.64 0.00 0.00 33.01 28.09 1xyc s GLN 503 CO -0.16 -0.04 1.17 -1.25 0.50 0.00 0.00 175.29 175.52 1xyc s PRO 504 N 1.24 4.29 0.13 1.67 0.04 -1.26 -5.06 135.00 136.04 1xyc s PRO 504 Ca 0.28 1.88 0.05 0.00 0.04 0.00 0.00 61.00 63.25 1xyc s PRO 504 Cb -0.16 -2.89 -0.04 0.00 0.04 0.00 0.00 34.50 31.45 1xyc s PRO 504 CO 0.11 -0.13 -0.11 0.95 0.04 0.00 0.00 177.00 177.86 1xyc s THR 505 N -1.30 1.15 0.22 1.26 -4.23 -1.25 -4.50 115.64 106.99 1xyc s THR 505 Ca 0.52 -1.89 0.22 0.00 -1.18 0.00 0.00 61.69 59.36 1xyc s THR 505 Cb -0.32 -1.66 0.22 0.00 1.34 0.00 0.00 72.50 72.08 1xyc s THR 505 CO 0.41 -0.63 1.63 1.55 -0.54 0.00 0.00 174.62 177.04 1xyc h PRO 506 N 3.12 0.00 0.00 3.99 0.13 -1.77 0.06 132.00 137.53 1xyc h PRO 506 Ca -0.37 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.73 1xyc h PRO 506 Cb 1.19 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.32 1xyc h PRO 506 CO 0.58 0.00 -0.13 1.49 -0.23 0.00 0.00 178.00 179.71 1xyc h GLU 507 N 0.00 0.00 0.00 0.86 4.81 -1.95 -2.60 114.58 115.70 1xyc h GLU 507 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1xyc h GLU 507 Cb 0.46 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.84 1xyc h GLU 507 CO 0.00 0.13 0.00 -0.25 -0.73 0.00 0.00 179.01 178.16 1xyc n ASP 508 N -3.43 0.00 -2.57 1.04 8.00 0.01 -4.93 116.55 114.66 1xyc n ASP 508 Ca -0.01 -0.53 -0.17 0.00 0.71 0.00 0.00 54.79 54.79 1xyc n ASP 508 Cb 0.31 -0.12 -0.00 0.00 -0.02 0.00 0.00 41.12 41.28 1xyc n ASP 508 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1xyc n ARG 509 N -1.12 -2.44 -2.44 -1.24 3.00 -0.98 -4.68 116.66 106.75 1xyc n ARG 509 Ca 0.17 0.75 -0.43 0.00 -0.01 0.00 0.00 57.85 58.33 1xyc n ARG 509 Cb 0.15 -5.40 -0.02 0.00 0.00 0.00 0.00 32.46 27.18 1xyc n ARG 509 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 1xyc s PHE 510 N -2.83 3.03 0.20 -1.55 0.08 -1.26 -1.46 117.98 114.19 1xyc s PHE 510 Ca 0.07 1.11 0.08 0.00 0.12 0.00 0.00 56.93 58.31 1xyc s PHE 510 Cb -0.03 -3.46 -0.05 0.00 -0.57 0.00 0.00 43.02 38.91 1xyc s PHE 510 CO 0.08 -1.51 -0.15 0.95 -0.10 0.00 0.00 175.22 174.49 1xyc s THR 511 N 2.80 1.81 0.01 0.64 -4.23 -0.55 -0.33 115.64 115.79 1xyc s THR 511 Ca 0.55 -2.18 0.00 0.00 -1.18 0.00 0.00 61.69 58.88 1xyc s THR 511 Cb -0.23 -2.03 -0.01 0.00 1.34 0.00 0.00 72.50 71.57 1xyc s THR 511 CO 0.19 -0.54 -0.01 -0.36 -0.54 0.00 0.00 174.62 173.36 1xyc s PHE 512 N -2.79 0.08 0.45 3.99 0.40 -1.02 -0.63 117.98 118.46 1xyc s PHE 512 Ca 0.22 -0.16 -0.22 0.00 -0.60 0.00 0.00 56.93 56.18 1xyc s PHE 512 Cb -0.02 -0.06 -0.09 0.00 0.51 0.00 0.00 43.02 43.36 1xyc s PHE 512 CO 0.07 -0.06 1.02 0.20 0.70 0.00 0.00 175.22 177.16 1xyc s GLY 513 N -0.43 2.56 0.52 4.36 0.00 -1.23 -1.44 107.32 111.65 1xyc s GLY 513 Ca -0.05 0.59 0.21 0.00 0.00 0.00 0.00 44.72 45.48 1xyc s GLY 513 CO -0.00 0.94 2.12 1.41 0.00 0.00 0.00 173.10 177.56 1xyc h LEU 514 N 1.91 0.00 -0.02 0.66 3.38 -1.62 -2.33 115.31 117.29 1xyc h LEU 514 Ca -0.49 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.48 1xyc h LEU 514 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1xyc h LEU 514 CO 0.60 0.07 0.00 -2.67 0.09 0.00 0.00 178.44 176.54 1xyc n TRP 515 N -4.14 0.07 0.00 1.13 2.14 -1.26 -2.56 117.44 112.82 1xyc n TRP 515 Ca -0.03 0.02 0.00 0.00 2.07 0.00 0.00 57.50 59.57 1xyc n TRP 515 Cb 0.16 -0.54 0.00 0.00 -0.81 0.00 0.00 31.31 30.12 1xyc n TRP 515 CO 0.00 0.00 0.00 0.25 2.07 0.00 0.00 177.69 180.01 1xyc n THR 516 N -1.56 0.00 0.31 -1.67 -2.24 -0.88 -2.73 114.28 105.51 1xyc n THR 516 Ca 0.06 0.34 0.16 0.00 -2.27 0.00 0.00 64.05 62.34 1xyc n THR 516 Cb 0.29 -1.03 0.71 0.00 -2.10 0.00 0.00 70.33 68.19 1xyc n THR 516 CO 0.00 0.00 0.00 -0.37 -0.57 0.00 0.00 175.07 174.13 1xyc h VAL 517 N 0.00 0.00 -0.07 2.28 -1.51 -1.75 -2.04 116.25 113.17 1xyc h VAL 517 Ca 0.00 -0.32 0.00 0.00 -1.23 0.00 0.00 66.70 65.15 1xyc h VAL 517 Cb 0.00 1.22 0.00 0.00 -2.13 0.00 0.00 31.29 30.38 1xyc h VAL 517 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.95 1xyc n GLY 518 N -0.23 -0.24 3.72 5.19 0.00 -1.06 -4.88 105.19 107.69 1xyc n GLY 518 Ca 0.00 -0.33 -0.42 0.00 0.00 0.00 0.00 46.02 45.27 1xyc n GLY 518 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1xyc s TRP 519 N -1.92 3.22 -0.80 1.61 -0.00 -0.77 -4.60 118.94 115.69 1xyc s TRP 519 Ca 0.35 0.93 0.25 0.00 -0.00 0.00 0.00 56.10 57.63 1xyc s TRP 519 Cb 0.18 -3.71 0.57 0.00 -0.00 0.00 0.00 33.47 30.51 1xyc s TRP 519 CO 0.29 -2.48 1.48 1.04 -0.00 0.00 0.00 176.95 177.28 1xyc n GLN 520 N 3.88 0.17 0.00 5.86 6.02 -1.26 -4.88 117.38 127.17 1xyc n GLN 520 Ca 0.11 0.07 0.00 0.00 -0.01 0.00 0.00 57.00 57.17 1xyc n GLN 520 Cb 0.42 -1.63 0.00 0.00 1.02 0.00 0.00 30.24 30.05 1xyc n GLN 520 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1xyc n GLY 521 N 1.40 0.88 3.67 1.08 0.00 -1.26 -0.97 105.19 109.99 1xyc n GLY 521 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 1xyc n GLY 521 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1xyc s ARG 522 N -0.88 4.28 0.39 1.61 6.06 -1.26 -4.45 118.95 124.70 1xyc s ARG 522 Ca 0.00 1.78 0.03 0.00 -2.50 0.00 0.00 55.73 55.04 1xyc s ARG 522 Cb 0.00 -3.68 -0.01 0.00 0.06 0.00 0.00 34.95 31.32 1xyc s ARG 522 CO 0.00 -0.61 0.10 -0.40 -2.50 0.00 0.00 175.30 171.89 1xyc n ASP 523 N 5.95 1.70 -0.14 -2.12 5.68 -0.58 -4.97 116.55 122.06 1xyc n ASP 523 Ca 0.13 -2.99 0.21 0.00 -0.50 0.00 0.00 54.79 51.64 1xyc n ASP 523 Cb 0.45 0.80 0.61 0.00 -1.14 0.00 0.00 41.12 41.83 1xyc n ASP 523 CO 0.00 0.00 0.00 1.55 -1.33 0.00 0.00 177.20 177.42 1xyc h PRO 524 N 0.00 0.19 -0.17 0.11 0.13 -2.01 -2.66 132.00 127.60 1xyc h PRO 524 Ca -0.31 -0.01 -0.00 0.00 -0.87 0.00 0.00 66.00 64.81 1xyc h PRO 524 Cb 1.12 -0.04 -0.00 0.00 0.13 0.00 0.00 31.00 32.21 1xyc h PRO 524 CO 0.50 0.13 -0.00 1.19 -0.23 0.00 0.00 178.00 179.59 1xyc n PHE 525 N -4.41 0.61 -3.53 1.56 3.72 -1.26 -5.04 117.46 109.11 1xyc n PHE 525 Ca 0.15 -0.93 -0.11 0.00 -0.05 0.00 0.00 57.45 56.51 1xyc n PHE 525 Cb 0.69 -0.26 -0.04 0.00 -0.94 0.00 0.00 39.48 38.94 1xyc n PHE 525 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1xyc s GLY 526 N -2.28 -0.42 0.77 1.37 0.00 -1.00 -5.17 107.32 100.59 1xyc s GLY 526 Ca 0.39 1.42 -0.08 0.00 0.00 0.00 0.00 44.72 46.44 1xyc s GLY 526 CO 0.07 0.71 1.09 0.99 0.00 0.00 0.00 173.10 175.95 1xyc s ASP 527 N -1.73 4.35 0.31 1.64 1.01 -1.26 -1.53 116.67 119.45 1xyc s ASP 527 Ca -0.01 0.31 -0.30 0.00 0.71 0.00 0.00 52.55 53.27 1xyc s ASP 527 Cb -0.01 -0.78 -0.11 0.00 1.01 0.00 0.00 42.92 43.03 1xyc s ASP 527 CO -0.02 -1.91 1.56 0.00 0.21 0.00 0.00 175.17 175.02 1xyc s ALA 528 N -3.39 3.70 -1.04 5.23 0.00 -1.26 -4.19 121.76 120.81 1xyc s ALA 528 Ca 0.64 1.55 0.14 0.00 0.00 0.00 0.00 51.96 54.29 1xyc s ALA 528 Cb -0.08 -3.63 -0.06 0.00 0.00 0.00 0.00 23.12 19.34 1xyc s ALA 528 CO 0.47 -0.98 0.70 0.25 0.00 0.00 0.00 175.76 176.20 1xyc n THR 529 N 1.85 0.00 -4.15 0.00 -2.24 -0.15 -4.92 114.28 104.66 1xyc n THR 529 Ca 0.07 -0.29 -0.17 0.00 -2.27 0.00 0.00 64.05 61.39 1xyc n THR 529 Cb 0.38 1.10 -0.12 0.00 -2.10 0.00 0.00 70.33 69.60 1xyc n THR 529 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1xyc s ARG 530 N -1.92 0.78 0.60 -0.78 0.52 -0.64 -4.97 118.95 112.54 1xyc s ARG 530 Ca 0.09 -0.95 -0.17 0.00 -0.52 0.00 0.00 55.73 54.18 1xyc s ARG 530 Cb 0.11 -0.70 -0.03 0.00 0.52 0.00 0.00 34.95 34.85 1xyc s ARG 530 CO 0.43 0.15 1.11 -1.25 0.02 0.00 0.00 175.30 175.75 1xyc s PRO 531 N -1.85 3.10 0.48 3.54 0.04 -1.26 -4.71 135.00 134.34 1xyc s PRO 531 Ca -0.02 1.44 -0.24 0.00 0.04 0.00 0.00 61.00 62.21 1xyc s PRO 531 Cb -0.09 -1.99 -0.07 0.00 0.04 0.00 0.00 34.50 32.39 1xyc s PRO 531 CO 0.02 -1.02 1.37 0.00 0.04 0.00 0.00 177.00 177.41 1xyc s ALA 532 N -2.15 3.09 -0.01 8.56 0.00 -1.26 -4.86 121.76 125.13 1xyc s ALA 532 Ca 0.68 1.36 -0.10 0.00 0.00 0.00 0.00 51.96 53.90 1xyc s ALA 532 Cb -0.21 -3.56 -0.05 0.00 0.00 0.00 0.00 23.12 19.30 1xyc s ALA 532 CO 0.35 -1.17 0.31 -0.51 0.00 0.00 0.00 175.76 174.74 1xyc s LEU 533 N -2.96 4.41 0.14 0.00 1.43 -1.26 -5.07 118.68 115.37 1xyc s LEU 533 Ca 0.64 0.73 -0.30 0.00 -1.03 0.00 0.00 54.13 54.17 1xyc s LEU 533 Cb -0.41 -2.55 -0.07 0.00 0.03 0.00 0.00 46.19 43.19 1xyc s LEU 533 CO 0.51 0.30 1.18 -0.62 0.23 0.00 0.00 176.35 177.95 1xyc s ASP 534 N -1.32 7.12 0.35 2.29 2.15 -1.26 -4.93 116.67 121.06 1xyc s ASP 534 Ca 0.24 2.12 0.13 0.00 0.43 0.00 0.00 52.55 55.47 1xyc s ASP 534 Cb -0.14 -2.60 0.97 0.00 -0.30 0.00 0.00 42.92 40.85 1xyc s ASP 534 CO 0.13 -0.38 1.74 -0.65 -0.17 0.00 0.00 175.17 175.84 1xyc h PRO 535 N 5.80 0.50 -0.45 4.34 0.11 -1.97 -2.26 132.00 138.06 1xyc h PRO 535 Ca -0.43 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 65.58 1xyc h PRO 535 Cb 1.21 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 1xyc h PRO 535 CO 0.77 0.33 0.04 0.28 -0.21 0.00 0.00 178.00 179.20 1xyc h VAL 536 N 0.51 1.25 0.00 3.15 2.07 -1.91 -0.64 116.25 120.68 1xyc h VAL 536 Ca 0.63 -0.98 -0.09 0.00 0.82 0.00 0.00 66.70 67.08 1xyc h VAL 536 Cb 1.34 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 32.11 1xyc h VAL 536 CO -0.41 0.34 -0.44 1.05 0.02 0.00 0.00 177.57 178.13 1xyc h GLU 537 N 0.62 0.00 -0.33 1.57 4.11 -1.83 -2.66 114.58 116.06 1xyc h GLU 537 Ca 0.13 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.48 1xyc h GLU 537 Cb 0.44 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 1xyc h GLU 537 CO 0.02 0.44 -0.13 1.15 0.07 0.00 0.00 179.01 180.56 1xyc h THR 538 N 0.00 1.29 -0.91 -1.06 2.02 -1.04 -0.61 112.91 112.60 1xyc h THR 538 Ca -0.00 -1.22 -0.02 0.00 0.77 0.00 0.00 66.41 65.94 1xyc h THR 538 Cb 0.95 1.37 -0.04 0.00 -1.74 0.00 0.00 68.15 68.69 1xyc h THR 538 CO 0.06 0.40 0.50 0.58 0.37 0.00 0.00 175.52 177.43 1xyc h VAL 539 N 0.45 1.26 0.09 3.16 2.07 -0.87 -1.98 116.25 120.43 1xyc h VAL 539 Ca 0.08 -0.63 -0.27 0.00 0.82 0.00 0.00 66.70 66.70 1xyc h VAL 539 Cb 0.65 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 1xyc h VAL 539 CO 0.04 0.29 -1.27 0.06 0.02 0.00 0.00 177.57 176.71 1xyc h GLN 540 N 1.27 0.19 -0.49 1.57 3.07 -1.31 -2.17 115.11 117.25 1xyc h GLN 540 Ca 0.32 -0.33 -0.06 0.00 0.09 0.00 0.00 58.65 58.67 1xyc h GLN 540 Cb 0.02 0.12 -0.02 0.00 0.08 0.00 0.00 27.48 27.68 1xyc h GLN 540 CO -0.05 1.11 0.06 0.00 0.09 0.00 0.00 178.83 180.04 1xyc h ARG 541 N 0.05 0.82 -0.58 0.06 -0.00 -1.04 -2.77 114.38 110.91 1xyc h ARG 541 Ca -0.14 -0.23 -0.08 0.00 -0.50 0.00 0.00 59.98 59.04 1xyc h ARG 541 Cb 1.94 -0.09 -0.02 0.00 0.00 0.00 0.00 29.97 31.79 1xyc h ARG 541 CO 0.17 0.83 0.06 -0.07 0.00 0.00 0.00 179.97 180.97 1xyc h LEU 542 N 0.69 0.91 -1.18 3.04 3.38 -1.41 -2.43 115.31 118.30 1xyc h LEU 542 Ca 0.14 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1xyc h LEU 542 Cb 0.43 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.90 1xyc h LEU 542 CO 0.01 0.94 0.48 0.00 0.09 0.00 0.00 178.44 179.96 1xyc h ALA 543 N 1.17 1.39 -0.08 1.53 0.00 -1.33 -1.70 119.26 120.24 1xyc h ALA 543 Ca 0.18 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 1xyc h ALA 543 Cb 0.44 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1xyc h ALA 543 CO 0.02 0.54 -0.29 0.93 0.00 0.00 0.00 179.25 180.44 1xyc h GLU 544 N 1.06 0.14 0.00 0.00 5.08 -1.29 -2.58 114.58 117.00 1xyc h GLU 544 Ca 0.28 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 1xyc h GLU 544 Cb -0.07 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.17 1xyc h GLU 544 CO -0.06 0.43 0.00 -0.07 -1.00 0.00 0.00 179.01 178.31 1xyc h LEU 545 N 0.13 0.00 0.00 1.33 4.07 -0.88 -3.47 115.31 116.49 1xyc h LEU 545 Ca 0.02 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.98 1xyc h LEU 545 Cb 0.59 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.33 1xyc h LEU 545 CO 0.04 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 178.01 1xyc n GLY 546 N 0.59 1.18 3.75 0.83 0.00 -0.97 -4.60 105.19 105.97 1xyc n GLY 546 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 1xyc n GLY 546 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xyc s ALA 547 N -2.00 2.06 -0.19 4.61 0.00 -0.71 -3.14 121.76 122.38 1xyc s ALA 547 Ca 0.00 0.17 0.14 0.00 0.00 0.00 0.00 51.96 52.26 1xyc s ALA 547 Cb 0.00 -3.25 -0.22 0.00 0.00 0.00 0.00 23.12 19.66 1xyc s ALA 547 CO 0.00 -1.93 0.01 1.58 0.00 0.00 0.00 175.76 175.42 1xyc n HIS 548 N -3.62 0.00 -3.86 0.00 -0.00 0.56 -4.51 115.22 103.79 1xyc n HIS 548 Ca 0.08 0.00 -0.02 0.00 0.46 0.00 0.00 57.72 58.24 1xyc n HIS 548 Cb 0.54 -0.92 0.02 0.00 -0.12 0.00 0.00 29.99 29.50 1xyc n HIS 548 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1xyc n GLY 549 N 1.94 0.64 3.18 1.57 0.00 -1.19 -2.27 105.19 109.06 1xyc n GLY 549 Ca -0.33 -1.11 -0.13 0.00 0.00 0.00 0.00 46.02 44.45 1xyc n GLY 549 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1xyc s VAL 550 N -2.11 0.90 0.27 1.61 -7.23 -0.47 -2.44 120.40 110.93 1xyc s VAL 550 Ca 0.21 -1.74 0.06 0.00 -1.81 0.00 0.00 61.98 58.70 1xyc s VAL 550 Cb -0.02 -1.47 -0.06 0.00 0.56 0.00 0.00 36.38 35.39 1xyc s VAL 550 CO 0.04 -0.65 -0.05 0.42 -0.31 0.00 0.00 175.10 174.56 1xyc s THR 551 N -2.78 1.53 0.08 5.32 -4.23 -0.52 -4.01 115.64 111.02 1xyc s THR 551 Ca 0.08 -2.11 -0.15 0.00 -1.18 0.00 0.00 61.69 58.33 1xyc s THR 551 Cb -0.01 -2.43 0.03 0.00 1.34 0.00 0.00 72.50 71.43 1xyc s THR 551 CO -0.01 -0.30 0.36 0.72 -0.54 0.00 0.00 174.62 174.84 1xyc s PHE 552 N -3.09 -0.15 0.16 3.99 -0.71 -1.25 -1.39 117.98 115.55 1xyc s PHE 552 Ca 0.29 -0.07 -0.04 0.00 -1.04 0.00 0.00 56.93 56.07 1xyc s PHE 552 Cb 0.04 0.17 -0.05 0.00 -1.21 0.00 0.00 43.02 41.97 1xyc s PHE 552 CO 0.11 -0.61 0.39 -1.01 -1.34 0.00 0.00 175.22 172.76 1xyc s HIS 553 N -3.21 3.47 0.27 3.49 3.76 -1.26 -1.48 115.29 120.34 1xyc s HIS 553 Ca -0.01 0.54 -0.02 0.00 -0.15 0.00 0.00 55.06 55.42 1xyc s HIS 553 Cb 0.01 -1.99 0.58 0.00 1.11 0.00 0.00 32.58 32.28 1xyc s HIS 553 CO -0.08 0.41 1.65 0.38 -0.85 0.00 0.00 174.74 176.26 1xyc h ASP 554 N 2.65 -0.10 0.87 1.40 2.03 -1.73 -0.99 116.42 120.55 1xyc h ASP 554 Ca -0.46 0.19 0.00 0.00 -0.73 0.00 0.00 57.03 56.02 1xyc h ASP 554 Cb 1.17 0.28 0.00 0.00 -0.83 0.00 0.00 39.33 39.95 1xyc h ASP 554 CO 0.72 -0.14 0.00 0.47 -1.03 0.00 0.00 179.24 179.26 1xyc n ASP 555 N -5.25 0.14 0.01 4.15 8.00 -1.26 -1.57 116.55 120.77 1xyc n ASP 555 Ca 0.18 0.52 -0.13 0.00 0.71 0.00 0.00 54.79 56.06 1xyc n ASP 555 Cb 0.57 -0.56 -0.02 0.00 -0.02 0.00 0.00 41.12 41.10 1xyc n ASP 555 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 1xyc h ASP 556 N 0.00 0.74 0.25 -2.24 3.32 -1.57 -3.38 116.42 113.54 1xyc h ASP 556 Ca 0.00 -0.47 -0.34 0.00 0.02 0.00 0.00 57.03 56.24 1xyc h ASP 556 Cb 0.44 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.73 1xyc h ASP 556 CO 0.00 1.24 -1.94 -0.11 -1.72 0.00 0.00 179.24 176.70 1xyc n LEU 557 N -3.90 1.85 -3.95 1.55 7.94 -0.89 -4.80 117.00 114.80 1xyc n LEU 557 Ca -0.06 0.25 -0.31 0.00 -1.11 0.00 0.00 56.01 54.79 1xyc n LEU 557 Cb 0.71 -0.53 -0.15 0.00 0.53 0.00 0.00 43.42 43.98 1xyc n LEU 557 CO 0.50 0.66 -0.40 -0.63 -1.11 0.00 0.00 177.39 176.42 1xyc s ILE 558 N -2.57 1.66 0.22 1.96 1.01 -0.61 -4.80 121.20 118.07 1xyc s ILE 558 Ca -0.16 -1.48 -0.32 0.00 0.00 0.00 0.00 60.65 58.69 1xyc s ILE 558 Cb 0.07 -1.99 -0.14 0.00 0.01 0.00 0.00 42.46 40.41 1xyc s ILE 558 CO 0.78 -0.24 1.35 -0.81 0.00 0.00 0.00 174.94 176.02 1xyc n PRO 559 N 4.59 1.81 -1.64 2.79 -0.04 -1.26 -4.18 135.00 137.07 1xyc n PRO 559 Ca -0.08 0.64 -0.45 0.00 -0.04 0.00 0.00 63.50 63.57 1xyc n PRO 559 Cb 0.43 -2.26 -0.02 0.00 -0.04 0.00 0.00 33.50 31.61 1xyc n PRO 559 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1xyc n PHE 560 N 1.85 1.84 -0.98 0.54 -0.00 -1.26 -1.90 117.46 117.55 1xyc n PHE 560 Ca 0.13 0.56 0.00 0.00 -0.00 0.00 0.00 57.45 58.14 1xyc n PHE 560 Cb 0.30 -2.37 0.00 0.00 -0.00 0.00 0.00 39.48 37.40 1xyc n PHE 560 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1xyc n GLY 561 N 1.61 0.43 3.74 7.13 0.00 -1.26 -5.02 105.19 111.82 1xyc n GLY 561 Ca 0.10 -0.72 -0.41 0.00 0.00 0.00 0.00 46.02 44.99 1xyc n GLY 561 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xyc s SER 562 N -2.66 7.04 0.72 1.61 0.01 -0.80 -5.00 113.70 114.62 1xyc s SER 562 Ca 0.00 2.30 -0.15 0.00 1.31 0.00 0.00 55.95 59.41 1xyc s SER 562 Cb 0.00 -2.61 0.03 0.00 0.21 0.00 0.00 66.02 63.65 1xyc s SER 562 CO 0.00 -0.39 1.18 -0.94 0.41 0.00 0.00 173.24 173.49 1xyc s SER 563 N 0.04 4.40 0.51 2.44 1.04 -1.26 -4.71 113.70 116.15 1xyc s SER 563 Ca 0.53 2.25 0.34 0.00 0.48 0.00 0.00 55.95 59.55 1xyc s SER 563 Cb -0.34 -2.58 1.75 0.00 0.10 0.00 0.00 66.02 64.96 1xyc s SER 563 CO 0.38 -2.12 2.04 0.44 0.98 0.00 0.00 173.24 174.97 1xyc h ASP 564 N -0.27 0.00 0.20 7.02 5.19 -1.99 0.13 116.42 126.71 1xyc h ASP 564 Ca -0.47 0.00 -0.31 0.00 -0.62 0.00 0.00 57.03 55.63 1xyc h ASP 564 Cb 1.28 0.00 0.03 0.00 0.18 0.00 0.00 39.33 40.83 1xyc h ASP 564 CO 0.51 0.00 -1.34 0.71 -3.12 0.00 0.00 179.24 175.99 1xyc h THR 565 N 0.00 1.30 -0.63 0.35 1.35 -1.99 -2.36 112.91 110.93 1xyc h THR 565 Ca 0.00 -2.60 -0.06 0.00 -0.55 0.00 0.00 66.41 63.20 1xyc h THR 565 Cb 0.12 2.95 -0.03 0.00 -1.73 0.00 0.00 68.15 69.46 1xyc h THR 565 CO 0.00 0.78 0.15 -0.33 -0.25 0.00 0.00 175.52 175.87 1xyc h GLU 566 N 0.14 1.00 0.11 4.72 5.08 -1.67 -1.58 114.58 122.37 1xyc h GLU 566 Ca -0.23 -0.23 0.01 0.00 -1.00 0.00 0.00 59.36 57.92 1xyc h GLU 566 Cb 2.04 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 31.13 1xyc h GLU 566 CO 0.25 0.89 -0.16 -0.09 -1.00 0.00 0.00 179.01 178.91 1xyc h ARG 567 N 0.95 -0.31 -0.91 2.33 2.43 -1.03 -2.24 114.38 115.60 1xyc h ARG 567 Ca 0.20 0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.42 1xyc h ARG 567 Cb 0.35 0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 29.92 1xyc h ARG 567 CO 0.00 -0.21 0.60 1.49 -1.51 0.00 0.00 179.97 180.35 1xyc h GLU 568 N -0.32 1.13 -0.52 0.20 4.22 -1.25 -2.13 114.58 115.91 1xyc h GLU 568 Ca 0.02 -0.07 -0.11 0.00 0.08 0.00 0.00 59.36 59.28 1xyc h GLU 568 Cb 0.33 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 1xyc h GLU 568 CO -0.07 0.75 -0.12 1.03 -2.18 0.00 0.00 179.01 178.42 1xyc h SER 569 N 1.16 0.97 -0.42 1.04 0.87 -1.12 -1.19 113.55 114.86 1xyc h SER 569 Ca 0.36 -0.32 -0.05 0.00 -1.23 0.00 0.00 61.79 60.55 1xyc h SER 569 Cb -0.01 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 61.67 1xyc h SER 569 CO -0.10 1.09 0.06 0.45 -0.53 0.00 0.00 176.83 177.79 1xyc h HIS 570 N 0.87 0.75 -0.22 2.24 3.86 -0.79 -2.08 115.15 119.79 1xyc h HIS 570 Ca 0.14 -0.11 -0.03 0.00 -1.16 0.00 0.00 60.37 59.20 1xyc h HIS 570 Cb 0.67 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 28.92 1xyc h HIS 570 CO 0.04 0.73 0.00 0.82 0.86 0.00 0.00 177.93 180.39 1xyc h ILE 571 N 0.55 1.25 -0.10 2.45 2.04 -1.36 -2.59 117.51 119.76 1xyc h ILE 571 Ca 0.13 -0.87 0.04 0.00 1.00 0.00 0.00 64.86 65.16 1xyc h ILE 571 Cb 0.39 1.40 -0.04 0.00 -0.74 0.00 0.00 36.82 37.83 1xyc h ILE 571 CO 0.01 0.27 -0.17 0.50 0.00 0.00 0.00 178.15 178.76 1xyc h LYS 572 N 0.15 -0.22 0.00 2.37 3.64 -1.10 0.11 116.57 121.53 1xyc h LYS 572 Ca 0.06 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.43 1xyc h LYS 572 Cb 0.39 0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.26 1xyc h LYS 572 CO 0.01 -0.14 -0.11 0.07 -2.27 0.00 0.00 179.45 177.00 1xyc h ARG 573 N -0.22 0.00 -0.04 1.90 0.11 -1.40 -2.31 114.38 112.41 1xyc h ARG 573 Ca 0.09 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 60.12 1xyc h ARG 573 Cb 0.35 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.43 1xyc h ARG 573 CO -0.23 0.11 -0.14 0.35 0.10 0.00 0.00 179.97 180.16 1xyc h PHE 574 N 0.00 0.22 -0.38 4.08 3.57 -0.95 -2.61 116.94 120.88 1xyc h PHE 574 Ca -0.00 -0.09 0.00 0.00 3.53 0.00 0.00 57.97 61.41 1xyc h PHE 574 Cb 0.65 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.34 1xyc h PHE 574 CO 0.00 0.76 0.24 -0.09 -2.23 0.00 0.00 178.31 176.99 1xyc h ARG 575 N -0.38 0.51 0.00 1.11 2.43 -0.63 -0.63 114.38 116.78 1xyc h ARG 575 Ca -0.01 -0.04 -0.16 0.00 -0.81 0.00 0.00 59.98 58.97 1xyc h ARG 575 Cb 0.77 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.19 1xyc h ARG 575 CO 0.03 0.35 -0.75 -0.56 -1.51 0.00 0.00 179.97 177.53 1xyc h GLN 576 N 0.52 0.00 -0.67 0.20 3.07 -1.44 -0.83 115.11 115.96 1xyc h GLN 576 Ca 0.14 0.00 -0.08 0.00 0.09 0.00 0.00 58.65 58.80 1xyc h GLN 576 Cb -0.03 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 27.50 1xyc h GLN 576 CO -0.03 0.75 0.11 0.00 0.09 0.00 0.00 178.83 179.75 1xyc h ALA 577 N 1.25 0.93 -0.06 0.06 0.00 -0.76 -2.25 119.26 118.44 1xyc h ALA 577 Ca -0.01 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 1xyc h ALA 577 Cb 1.49 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 1xyc h ALA 577 CO 0.10 0.66 0.02 -0.07 0.00 0.00 0.00 179.25 179.97 1xyc h LEU 578 N 1.03 0.08 -1.05 0.00 4.07 -1.06 -2.54 115.31 115.85 1xyc h LEU 578 Ca 0.20 -0.16 -0.03 0.00 0.08 0.00 0.00 57.88 57.98 1xyc h LEU 578 Cb 0.43 -0.02 -0.03 0.00 1.08 0.00 0.00 40.66 42.12 1xyc h LEU 578 CO 0.01 0.22 0.32 0.44 -1.08 0.00 0.00 178.44 178.35 1xyc h ASP 579 N -0.06 0.90 0.82 -0.43 3.32 -1.12 -1.43 116.42 118.43 1xyc h ASP 579 Ca 0.02 -0.10 -0.06 0.00 0.02 0.00 0.00 57.03 56.91 1xyc h ASP 579 Cb 0.16 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 1xyc h ASP 579 CO -0.00 0.78 -0.26 0.00 -1.72 0.00 0.00 179.24 178.03 1xyc h ALA 580 N 1.36 1.05 0.00 3.45 0.00 -1.24 -3.29 119.26 120.59 1xyc h ALA 580 Ca 0.24 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1xyc h ALA 580 Cb 0.12 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1xyc h ALA 580 CO -0.03 0.33 -1.82 0.25 0.00 0.00 0.00 179.25 177.98 1xyc n THR 581 N -3.48 0.00 -0.97 0.00 -2.24 -0.97 -4.98 114.28 101.64 1xyc n THR 581 Ca -0.00 -0.42 0.00 0.00 -2.27 0.00 0.00 64.05 61.36 1xyc n THR 581 Cb 0.43 0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.82 1xyc n THR 581 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xyc n GLY 582 N 1.34 0.49 3.77 3.38 0.00 -0.57 -5.04 105.19 108.56 1xyc n GLY 582 Ca -0.03 -0.22 -0.38 0.00 0.00 0.00 0.00 46.02 45.39 1xyc n GLY 582 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1xyc s MET 583 N -0.42 4.25 0.38 1.61 -1.94 -1.15 -5.00 119.30 117.03 1xyc s MET 583 Ca 0.00 1.67 0.08 0.00 -1.71 0.00 0.00 55.69 55.73 1xyc s MET 583 Cb 0.00 -2.74 -0.04 0.00 2.01 0.00 0.00 34.83 34.06 1xyc s MET 583 CO 0.00 -0.10 0.20 0.95 -0.01 0.00 0.00 175.02 176.05 1xyc s THR 584 N -1.47 2.67 -0.44 2.05 -4.23 -0.96 -4.74 115.64 108.52 1xyc s THR 584 Ca 0.54 -1.64 0.03 0.00 -1.18 0.00 0.00 61.69 59.45 1xyc s THR 584 Cb -0.27 -2.99 0.12 0.00 1.34 0.00 0.00 72.50 70.70 1xyc s THR 584 CO 0.34 -0.08 0.19 -0.69 -0.54 0.00 0.00 174.62 173.84 1xyc s VAL 585 N -2.50 2.20 0.03 2.29 1.01 -1.26 -1.37 120.40 120.80 1xyc s VAL 585 Ca 0.41 -2.81 0.16 0.00 0.00 0.00 0.00 61.98 59.74 1xyc s VAL 585 Cb -0.00 -2.57 0.07 0.00 0.00 0.00 0.00 36.38 33.89 1xyc s VAL 585 CO 0.23 -0.75 1.57 -0.65 0.00 0.00 0.00 175.10 175.50 1xyc h PRO 586 N 6.94 0.00 -3.08 2.72 0.11 -1.83 -2.99 132.00 133.87 1xyc h PRO 586 Ca -0.06 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.93 1xyc h PRO 586 Cb 0.94 0.00 -0.20 0.00 0.11 0.00 0.00 31.00 31.85 1xyc h PRO 586 CO 0.60 0.49 -0.30 1.41 -0.21 0.00 0.00 178.00 179.98 1xyc s MET 587 N -3.25 0.63 0.22 1.05 -2.45 -1.26 -1.25 119.30 112.98 1xyc s MET 587 Ca 0.02 -0.17 -0.05 0.00 -1.25 0.00 0.00 55.69 54.23 1xyc s MET 587 Cb 0.09 0.28 -0.03 0.00 1.25 0.00 0.00 34.83 36.42 1xyc s MET 587 CO 0.72 -0.17 0.26 0.00 1.05 0.00 0.00 175.02 176.89 1xyc s ALA 588 N -1.23 0.65 0.33 4.11 0.00 -1.15 -3.74 121.76 120.72 1xyc s ALA 588 Ca -0.13 -1.40 -0.18 0.00 0.00 0.00 0.00 51.96 50.26 1xyc s ALA 588 Cb -0.05 1.27 0.03 0.00 0.00 0.00 0.00 23.12 24.37 1xyc s ALA 588 CO 0.04 -0.69 0.74 -0.08 0.00 0.00 0.00 175.76 175.76 1xyc s THR 589 N -4.10 0.00 0.04 0.00 -1.32 -0.55 -1.85 115.64 107.86 1xyc s THR 589 Ca 0.33 -1.03 0.06 0.00 -1.21 0.00 0.00 61.69 59.83 1xyc s THR 589 Cb 0.04 -2.43 -0.03 0.00 -1.51 0.00 0.00 72.50 68.57 1xyc s THR 589 CO 0.11 0.00 -0.12 -0.89 -2.21 0.00 0.00 174.62 171.51 1xyc s THR 590 N -3.17 3.25 -0.50 5.08 2.01 -1.26 -1.97 115.64 119.09 1xyc s THR 590 Ca 0.14 -1.06 -0.20 0.00 0.31 0.00 0.00 61.69 60.88 1xyc s THR 590 Cb -0.05 -2.42 0.05 0.00 0.01 0.00 0.00 72.50 70.08 1xyc s THR 590 CO 0.09 0.30 0.68 0.21 -0.69 0.00 0.00 174.62 175.21 1xyc s ASN 591 N -1.62 6.26 -0.31 3.53 3.84 -1.26 -4.85 114.94 120.52 1xyc s ASN 591 Ca 0.17 -0.68 0.07 0.00 0.21 0.00 0.00 52.86 52.63 1xyc s ASN 591 Cb -0.11 -2.32 0.46 0.00 -0.55 0.00 0.00 41.25 38.73 1xyc s ASN 591 CO 0.08 -0.91 1.32 0.18 -2.79 0.00 0.00 177.10 174.98 1xyc n LEU 592 N 6.39 4.69 0.00 3.21 4.77 -1.26 -4.75 117.00 130.05 1xyc n LEU 592 Ca -0.04 -4.41 0.00 0.00 -0.03 0.00 0.00 56.01 51.53 1xyc n LEU 592 Cb 0.46 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 1xyc n LEU 592 CO 0.55 1.80 -0.00 2.22 -1.33 0.00 0.00 177.39 180.63 1xyc n PHE 593 N -0.87 0.00 -0.04 -1.77 1.16 -1.26 -4.42 117.46 110.26 1xyc n PHE 593 Ca 0.40 0.00 -0.14 0.00 -1.87 0.00 0.00 57.45 55.84 1xyc n PHE 593 Cb 0.90 0.00 -0.12 0.00 -1.61 0.00 0.00 39.48 38.65 1xyc n PHE 593 CO 0.00 0.00 0.00 1.15 -1.87 0.00 0.00 176.76 176.04 1xyc h THR 594 N 0.00 1.61 -3.90 1.97 2.02 -1.93 -3.46 112.91 109.22 1xyc h THR 594 Ca 0.00 -1.79 -0.53 0.00 0.77 0.00 0.00 66.41 64.86 1xyc h THR 594 Cb 0.00 2.83 0.08 0.00 -1.74 0.00 0.00 68.15 69.31 1xyc h THR 594 CO 0.00 0.47 0.67 -2.28 0.37 0.00 0.00 175.52 174.74 1xyc s HIS 595 N -3.17 2.93 0.59 3.16 2.46 -1.26 -4.90 115.29 115.10 1xyc s HIS 595 Ca -0.18 1.36 0.31 0.00 0.47 0.00 0.00 55.06 57.03 1xyc s HIS 595 Cb -0.01 -3.76 1.30 0.00 -0.13 0.00 0.00 32.58 29.98 1xyc s HIS 595 CO 0.68 -2.12 1.62 -1.35 -2.47 0.00 0.00 174.74 171.10 1xyc h PRO 596 N 3.26 0.00 0.00 2.88 0.11 -2.02 -1.22 132.00 135.01 1xyc h PRO 596 Ca -0.49 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.59 1xyc h PRO 596 Cb 1.23 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 1xyc h PRO 596 CO 0.65 0.00 -0.12 -0.24 -0.21 0.00 0.00 178.00 178.08 1xyc h VAL 597 N 0.00 0.36 -0.41 3.15 3.04 -1.96 -2.06 116.25 118.37 1xyc h VAL 597 Ca 0.45 -0.73 -0.00 0.00 -1.01 0.00 0.00 66.70 65.40 1xyc h VAL 597 Cb 2.28 1.54 -0.00 0.00 -2.01 0.00 0.00 31.29 33.10 1xyc h VAL 597 CO -0.00 0.12 0.00 0.49 -1.01 0.00 0.00 177.57 177.17 1xyc n PHE 598 N -3.34 1.47 0.28 3.17 3.72 -0.46 -4.47 117.46 117.83 1xyc n PHE 598 Ca -0.00 -0.51 0.17 0.00 -0.05 0.00 0.00 57.45 57.05 1xyc n PHE 598 Cb 0.32 -0.39 0.80 0.00 -0.94 0.00 0.00 39.48 39.27 1xyc n PHE 598 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 1xyc h LYS 599 N 2.79 0.00 -0.27 -1.08 2.10 -1.54 -0.24 116.57 118.34 1xyc h LYS 599 Ca 0.00 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.62 1xyc h LYS 599 Cb 1.55 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.86 1xyc h LYS 599 CO 0.35 0.06 -0.00 -3.47 -2.00 0.00 0.00 179.45 174.38 1xyc n ASP 600 N -3.27 3.56 0.00 7.07 2.03 -1.26 -5.04 116.55 119.63 1xyc n ASP 600 Ca -0.01 -3.16 0.00 0.00 0.52 0.00 0.00 54.79 52.14 1xyc n ASP 600 Cb 0.25 -0.56 0.00 0.00 -0.72 0.00 0.00 41.12 40.09 1xyc n ASP 600 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1xyc n GLY 601 N -0.68 1.86 0.18 0.27 0.00 -0.10 -3.70 105.19 103.01 1xyc n GLY 601 Ca 0.24 -2.11 0.00 0.00 0.00 0.00 0.00 46.02 44.14 1xyc n GLY 601 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xyc n GLY 602 N 0.09 -0.10 0.25 -0.02 0.00 -1.26 -4.39 105.19 99.76 1xyc n GLY 602 Ca 0.00 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.18 1xyc n GLY 602 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1xyc h PHE 603 N 0.00 0.00 0.00 1.61 0.04 -1.90 -3.21 116.94 113.48 1xyc h PHE 603 Ca 0.00 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 1xyc h PHE 603 Cb 0.00 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.14 1xyc h PHE 603 CO 0.00 0.00 -0.20 0.25 -0.60 0.00 0.00 178.31 177.76 1xyc n THR 604 N -3.04 1.65 -1.79 -1.55 -2.24 -1.26 -4.40 114.28 101.66 1xyc n THR 604 Ca 0.02 -2.14 -0.40 0.00 -2.27 0.00 0.00 64.05 59.25 1xyc n THR 604 Cb 0.36 -0.10 0.01 0.00 -2.10 0.00 0.00 70.33 68.50 1xyc n THR 604 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xyc s ALA 605 N -2.49 3.36 0.30 6.98 0.00 -1.21 -4.87 121.76 123.83 1xyc s ALA 605 Ca 0.29 1.51 -0.00 0.00 0.00 0.00 0.00 51.96 53.76 1xyc s ALA 605 Cb 0.27 -3.60 0.47 0.00 0.00 0.00 0.00 23.12 20.26 1xyc s ALA 605 CO -0.00 -1.16 1.89 -0.91 0.00 0.00 0.00 175.76 175.58 1xyc h ASN 606 N 2.54 0.78 -2.80 0.00 2.35 -1.94 -3.41 115.58 113.10 1xyc h ASN 606 Ca -0.51 -0.09 -0.56 0.00 -0.55 0.00 0.00 56.30 54.59 1xyc h ASN 606 Cb 1.26 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 39.40 1xyc h ASN 606 CO 0.62 0.69 0.99 -1.81 -1.65 0.00 0.00 177.43 176.27 1xyc s ASP 607 N -6.52 6.80 0.25 5.81 1.01 -1.26 -4.93 116.67 117.83 1xyc s ASP 607 Ca -0.10 1.87 -0.06 0.00 0.71 0.00 0.00 52.55 54.97 1xyc s ASP 607 Cb 0.16 -2.54 0.27 0.00 1.01 0.00 0.00 42.92 41.83 1xyc s ASP 607 CO 0.79 -0.86 1.92 -0.09 0.21 0.00 0.00 175.17 177.13 1xyc h ARG 608 N 8.89 1.27 -0.17 8.23 2.43 -2.00 -2.72 114.38 130.32 1xyc h ARG 608 Ca -0.32 -0.08 -0.06 0.00 -0.81 0.00 0.00 59.98 58.72 1xyc h ARG 608 Cb 1.13 -0.29 -0.01 0.00 -0.42 0.00 0.00 29.97 30.38 1xyc h ARG 608 CO 0.97 0.84 -0.16 0.38 -1.51 0.00 0.00 179.97 180.49 1xyc h ASP 609 N 1.31 0.26 -0.22 -3.80 3.04 -1.96 -2.27 116.42 112.78 1xyc h ASP 609 Ca 0.37 -0.06 -0.16 0.00 -3.24 0.00 0.00 57.03 53.95 1xyc h ASP 609 Cb -0.11 -0.07 -0.01 0.00 -1.04 0.00 0.00 39.33 38.11 1xyc h ASP 609 CO -0.09 0.44 -0.43 0.58 -2.04 0.00 0.00 179.24 177.70 1xyc h VAL 610 N 0.25 1.29 -0.33 4.15 2.07 -1.89 -1.75 116.25 120.05 1xyc h VAL 610 Ca 0.05 -1.62 -0.06 0.00 0.82 0.00 0.00 66.70 65.89 1xyc h VAL 610 Cb 0.44 1.51 -0.02 0.00 -1.52 0.00 0.00 31.29 31.70 1xyc h VAL 610 CO 0.03 0.53 -0.05 0.03 0.02 0.00 0.00 177.57 178.12 1xyc h ARG 611 N 0.63 0.53 -0.25 1.57 3.08 -1.12 -0.45 114.38 118.36 1xyc h ARG 611 Ca 0.04 -0.13 -0.18 0.00 0.07 0.00 0.00 59.98 59.79 1xyc h ARG 611 Cb 1.00 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.98 1xyc h ARG 611 CO 0.09 0.59 -0.53 0.00 -1.07 0.00 0.00 179.97 179.05 1xyc h ARG 612 N 0.50 0.81 -0.80 0.04 3.08 -1.14 -2.48 114.38 114.39 1xyc h ARG 612 Ca 0.10 -0.53 -0.01 0.00 0.07 0.00 0.00 59.98 59.61 1xyc h ARG 612 Cb 0.40 0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.49 1xyc h ARG 612 CO 0.02 1.16 0.46 -0.92 -1.07 0.00 0.00 179.97 179.62 1xyc h TYR 613 N 0.56 1.07 -0.62 3.04 3.20 -1.09 -1.39 116.97 121.74 1xyc h TYR 613 Ca 0.00 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.85 1xyc h TYR 613 Cb 1.15 -0.35 -0.03 0.00 1.54 0.00 0.00 36.73 39.04 1xyc h TYR 613 CO 0.08 0.73 0.36 0.00 -1.64 0.00 0.00 178.16 177.69 1xyc h ALA 614 N 1.25 0.80 -0.57 1.82 0.00 -1.02 0.16 119.26 121.69 1xyc h ALA 614 Ca 0.28 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 1xyc h ALA 614 Cb -0.01 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 1xyc h ALA 614 CO -0.05 0.30 0.04 -0.07 0.00 0.00 0.00 179.25 179.46 1xyc h LEU 615 N 0.85 0.96 -0.63 0.00 3.38 -1.12 -2.18 115.31 116.56 1xyc h LEU 615 Ca 0.22 -0.29 -0.11 0.00 0.09 0.00 0.00 57.88 57.79 1xyc h LEU 615 Cb 0.01 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 1xyc h LEU 615 CO -0.04 1.01 -0.11 0.03 0.09 0.00 0.00 178.44 179.42 1xyc h ARG 616 N 0.88 0.96 -0.65 1.13 2.47 -0.81 -0.86 114.38 117.50 1xyc h ARG 616 Ca 0.17 -0.35 -0.03 0.00 -1.26 0.00 0.00 59.98 58.51 1xyc h ARG 616 Cb 0.49 -0.07 -0.03 0.00 -1.65 0.00 0.00 29.97 28.72 1xyc h ARG 616 CO 0.02 1.01 0.28 -0.22 0.56 0.00 0.00 179.97 181.63 1xyc h LYS 617 N 0.86 0.95 -0.25 0.04 3.64 -0.92 -2.33 116.57 118.57 1xyc h LYS 617 Ca 0.14 -0.16 -0.03 0.00 -1.27 0.00 0.00 60.65 59.33 1xyc h LYS 617 Cb 0.65 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.30 1xyc h LYS 617 CO 0.05 0.78 0.04 1.15 -2.27 0.00 0.00 179.45 179.20 1xyc h THR 618 N 0.91 1.23 -0.68 1.00 2.02 -1.24 -2.96 112.91 113.18 1xyc h THR 618 Ca 0.22 -0.76 -0.03 0.00 0.77 0.00 0.00 66.41 66.61 1xyc h THR 618 Cb 0.17 1.26 -0.03 0.00 -1.74 0.00 0.00 68.15 67.80 1xyc h THR 618 CO -0.02 0.24 0.31 0.40 0.37 0.00 0.00 175.52 176.82 1xyc h ILE 619 N 0.22 1.23 -0.88 3.11 2.04 -1.02 -0.76 117.51 121.45 1xyc h ILE 619 Ca 0.07 -0.69 0.08 0.00 1.00 0.00 0.00 64.86 65.33 1xyc h ILE 619 Cb 0.32 0.42 -0.07 0.00 -0.74 0.00 0.00 36.82 36.75 1xyc h ILE 619 CO 0.00 0.28 0.54 -0.09 0.00 0.00 0.00 178.15 178.88 1xyc h ARG 620 N 0.96 0.91 0.00 2.37 2.43 -1.45 -1.71 114.38 117.88 1xyc h ARG 620 Ca 0.23 -0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 59.30 1xyc h ARG 620 Cb 0.15 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.49 1xyc h ARG 620 CO -0.03 0.60 -0.24 -0.97 -1.51 0.00 0.00 179.97 177.83 1xyc h ASN 621 N 0.94 0.00 -0.79 -3.80 -1.24 -1.26 -2.96 115.58 106.47 1xyc h ASN 621 Ca 0.40 0.00 -0.05 0.00 0.71 0.00 0.00 56.30 57.36 1xyc h ASN 621 Cb 0.27 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.28 1xyc h ASN 621 CO -0.21 0.24 0.31 0.40 -1.29 0.00 0.00 177.43 176.88 1xyc h ILE 622 N 0.00 1.26 -0.58 2.57 2.04 -0.24 -1.08 117.51 121.47 1xyc h ILE 622 Ca -0.00 -0.84 -0.05 0.00 1.00 0.00 0.00 64.86 64.97 1xyc h ILE 622 Cb 1.11 0.33 -0.02 0.00 -0.74 0.00 0.00 36.82 37.49 1xyc h ILE 622 CO 0.03 0.34 0.18 0.44 0.00 0.00 0.00 178.15 179.15 1xyc h ASP 623 N 1.15 0.85 -0.31 1.72 3.32 -1.36 -2.18 116.42 119.61 1xyc h ASP 623 Ca 0.26 -0.21 -0.05 0.00 0.02 0.00 0.00 57.03 57.06 1xyc h ASP 623 Cb 0.23 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 1xyc h ASP 623 CO -0.02 0.83 0.01 0.25 -1.72 0.00 0.00 179.24 178.59 1xyc h LEU 624 N 0.82 0.53 -0.50 1.55 5.85 -1.40 -2.58 115.31 119.59 1xyc h LEU 624 Ca 0.19 -0.30 0.03 0.00 0.84 0.00 0.00 57.88 58.64 1xyc h LEU 624 Cb 0.28 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.13 1xyc h LEU 624 CO -0.01 0.70 0.28 0.00 -0.34 0.00 0.00 178.44 179.07 1xyc h ALA 625 N 0.85 0.64 -0.86 1.25 0.00 -1.02 -2.20 119.26 117.93 1xyc h ALA 625 Ca 0.09 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1xyc h ALA 625 Cb 0.42 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 1xyc h ALA 625 CO 0.01 -0.03 0.53 0.28 0.00 0.00 0.00 179.25 180.04 1xyc h VAL 626 N 0.56 1.24 -0.74 0.00 2.07 -1.41 -0.06 116.25 117.91 1xyc h VAL 626 Ca 0.21 -0.50 0.01 0.00 0.82 0.00 0.00 66.70 67.24 1xyc h VAL 626 Cb 0.06 0.02 -0.04 0.00 -1.52 0.00 0.00 31.29 29.81 1xyc h VAL 626 CO -0.11 0.24 0.49 -0.33 0.02 0.00 0.00 177.57 177.88 1xyc h GLU 627 N 1.18 0.96 -0.01 1.57 5.08 -0.99 -1.72 114.58 120.65 1xyc h GLU 627 Ca 0.31 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 1xyc h GLU 627 Cb -0.06 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 28.97 1xyc h GLU 627 CO -0.06 0.64 -0.04 1.28 -1.00 0.00 0.00 179.01 179.83 1xyc n LEU 628 N -4.43 0.57 0.00 1.33 4.32 -0.90 -4.94 117.00 112.96 1xyc n LEU 628 Ca 0.08 -0.12 0.00 0.00 -0.02 0.00 0.00 56.01 55.95 1xyc n LEU 628 Cb 0.05 -0.07 0.00 0.00 -1.62 0.00 0.00 43.42 41.77 1xyc n LEU 628 CO 0.36 0.10 0.00 0.61 -1.22 0.00 0.00 177.39 177.24 1xyc n GLY 629 N 1.16 0.85 3.74 -0.72 0.00 -0.65 -4.44 105.19 105.13 1xyc n GLY 629 Ca 0.19 -0.35 -0.41 0.00 0.00 0.00 0.00 46.02 45.45 1xyc n GLY 629 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xyc s ALA 630 N -2.00 3.40 -0.45 4.61 0.00 -0.10 -4.67 121.76 122.55 1xyc s ALA 630 Ca 0.00 0.88 0.16 0.00 0.00 0.00 0.00 51.96 53.00 1xyc s ALA 630 Cb 0.00 -3.38 -0.20 0.00 0.00 0.00 0.00 23.12 19.54 1xyc s ALA 630 CO 0.00 -0.29 0.54 1.63 0.00 0.00 0.00 175.76 177.63 1xyc n LYS 631 N 2.42 1.34 -4.94 0.00 4.76 -0.38 -4.49 118.16 116.88 1xyc n LYS 631 Ca 0.03 -0.06 -0.27 0.00 -2.87 0.00 0.00 58.31 55.15 1xyc n LYS 631 Cb 0.45 -1.29 -0.16 0.00 -1.84 0.00 0.00 35.03 32.20 1xyc n LYS 631 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 1xyc s THR 632 N -2.71 1.56 -0.20 -0.18 2.01 -1.10 -1.45 115.64 113.56 1xyc s THR 632 Ca 0.01 -0.81 0.01 0.00 0.31 0.00 0.00 61.69 61.22 1xyc s THR 632 Cb 0.11 -1.32 0.04 0.00 0.01 0.00 0.00 72.50 71.34 1xyc s THR 632 CO 0.65 0.44 -0.14 -0.47 -0.69 0.00 0.00 174.62 174.41 1xyc s TYR 633 N -0.15 2.71 0.12 4.92 6.14 0.15 -2.93 117.35 128.30 1xyc s TYR 633 Ca -0.00 -1.75 -0.15 0.00 0.64 0.00 0.00 57.07 55.82 1xyc s TYR 633 Cb -0.11 -1.79 -0.07 0.00 0.42 0.00 0.00 41.96 40.41 1xyc s TYR 633 CO 0.01 -0.79 0.52 0.08 0.64 0.00 0.00 175.55 176.02 1xyc s VAL 634 N 1.30 4.88 -0.24 3.14 1.01 -0.77 -0.66 120.40 129.06 1xyc s VAL 634 Ca -0.00 0.84 -0.00 0.00 0.00 0.00 0.00 61.98 62.82 1xyc s VAL 634 Cb -0.16 -3.75 0.07 0.00 0.00 0.00 0.00 36.38 32.54 1xyc s VAL 634 CO -0.09 0.32 -0.00 0.00 0.00 0.00 0.00 175.10 175.32 1xyc s ALA 635 N -1.38 1.73 -0.38 5.51 0.00 -0.50 -4.22 121.76 122.52 1xyc s ALA 635 Ca 0.35 -1.32 -0.07 0.00 0.00 0.00 0.00 51.96 50.92 1xyc s ALA 635 Cb -0.16 -1.43 0.07 0.00 0.00 0.00 0.00 23.12 21.60 1xyc s ALA 635 CO 0.19 -1.29 0.18 -0.46 0.00 0.00 0.00 175.76 174.38 1xyc s TRP 636 N 1.51 3.34 -1.40 0.00 -0.00 -1.26 -1.49 118.94 119.63 1xyc s TRP 636 Ca -0.01 -1.62 -0.11 0.00 -0.00 0.00 0.00 56.10 54.36 1xyc s TRP 636 Cb -0.18 -2.70 0.08 0.00 -0.00 0.00 0.00 33.47 30.67 1xyc s TRP 636 CO -0.09 -0.82 2.22 0.41 -0.00 0.00 0.00 176.95 178.66 1xyc n GLY 637 N 4.82 4.62 0.29 5.86 0.00 -1.26 -4.77 105.19 114.75 1xyc n GLY 637 Ca -0.10 -1.82 0.17 0.00 0.00 0.00 0.00 46.02 44.27 1xyc n GLY 637 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1xyc h GLY 638 N 8.30 0.00 -1.83 -0.02 0.00 -1.93 -2.52 103.07 105.07 1xyc h GLY 638 Ca 0.56 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.89 1xyc h GLY 638 CO 1.73 0.00 0.00 0.54 0.00 0.00 0.00 176.54 178.81 1xyc n ARG 639 N -3.30 2.08 -2.75 4.80 5.12 -1.26 -4.02 116.66 117.33 1xyc n ARG 639 Ca -0.01 -1.92 -0.43 0.00 -1.93 0.00 0.00 57.85 53.55 1xyc n ARG 639 Cb 0.21 -1.42 -0.03 0.00 -1.16 0.00 0.00 32.46 30.06 1xyc n ARG 639 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1xyc s GLU 640 N -1.54 3.55 0.00 5.56 0.41 -0.95 -2.80 118.70 122.93 1xyc s GLU 640 Ca 0.29 0.21 0.00 0.00 -0.41 0.00 0.00 54.97 55.06 1xyc s GLU 640 Cb 0.18 -3.95 0.00 0.00 -1.78 0.00 0.00 34.13 28.59 1xyc s GLU 640 CO 0.27 -1.34 0.00 0.41 -0.49 0.00 0.00 175.26 174.10 1xyc n GLY 641 N 4.95 -0.51 3.52 -1.39 0.00 -1.26 -1.40 105.19 109.11 1xyc n GLY 641 Ca 0.07 -0.79 -0.09 0.00 0.00 0.00 0.00 46.02 45.22 1xyc n GLY 641 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xyc s ALA 642 N -1.00 -1.86 -0.42 4.61 0.00 -0.88 -4.87 121.76 117.34 1xyc s ALA 642 Ca 0.00 1.18 0.15 0.00 0.00 0.00 0.00 51.96 53.28 1xyc s ALA 642 Cb 0.00 0.16 -0.19 0.00 0.00 0.00 0.00 23.12 23.09 1xyc s ALA 642 CO 0.00 -0.61 0.50 0.39 0.00 0.00 0.00 175.76 176.05 1xyc n GLU 643 N -0.03 1.50 -4.06 0.00 4.71 -1.26 -1.67 120.64 119.82 1xyc n GLU 643 Ca -0.08 -0.05 -0.10 0.00 -0.01 0.00 0.00 57.16 56.91 1xyc n GLU 643 Cb 0.61 -1.26 -0.11 0.00 -1.01 0.00 0.00 31.44 29.67 1xyc n GLU 643 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 1xyc s SER 644 N -2.92 0.62 0.18 1.62 1.04 -1.26 -4.93 113.70 108.06 1xyc s SER 644 Ca 0.01 -0.70 -0.11 0.00 0.48 0.00 0.00 55.95 55.63 1xyc s SER 644 Cb 0.10 0.10 0.09 0.00 0.10 0.00 0.00 66.02 66.42 1xyc s SER 644 CO 0.61 -0.36 1.74 1.23 0.98 0.00 0.00 173.24 177.44 1xyc h GLY 645 N 4.01 1.01 0.76 7.32 0.00 -1.95 -3.21 103.07 111.02 1xyc h GLY 645 Ca -0.34 -0.55 0.00 0.00 0.00 0.00 0.00 47.33 46.44 1xyc h GLY 645 CO 0.50 0.52 -0.28 0.00 0.00 0.00 0.00 176.54 177.28 1xyc n ALA 646 N -2.38 3.09 0.24 3.60 0.00 -1.26 -4.12 120.51 119.69 1xyc n ALA 646 Ca 0.04 -0.33 0.11 0.00 0.00 0.00 0.00 53.44 53.26 1xyc n ALA 646 Cb 0.16 -1.20 0.63 0.00 0.00 0.00 0.00 19.45 19.04 1xyc n ALA 646 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xyc h ALA 647 N 3.40 1.26 -3.12 0.00 0.00 -1.99 -3.42 119.26 115.40 1xyc h ALA 647 Ca 0.00 -0.16 -0.37 0.00 0.00 0.00 0.00 54.91 54.39 1xyc h ALA 647 Cb 0.47 -0.03 -0.38 0.00 0.00 0.00 0.00 17.79 17.85 1xyc h ALA 647 CO 0.00 0.21 -0.70 0.21 0.00 0.00 0.00 179.25 178.97 1xyc s LYS 648 N -4.11 0.01 -0.48 0.00 2.47 -1.26 -4.98 119.74 111.39 1xyc s LYS 648 Ca -0.02 0.31 -0.28 0.00 -1.56 0.00 0.00 55.97 54.41 1xyc s LYS 648 Cb 0.13 -0.81 0.03 0.00 -1.46 0.00 0.00 37.83 35.71 1xyc s LYS 648 CO 0.61 -0.43 1.08 0.34 0.16 0.00 0.00 175.35 177.12 1xyc s ASP 649 N 2.21 6.59 0.33 1.43 -1.08 -1.26 -4.94 116.67 119.95 1xyc s ASP 649 Ca 0.04 0.36 0.07 0.00 -0.52 0.00 0.00 52.55 52.50 1xyc s ASP 649 Cb -0.13 -2.52 0.57 0.00 -1.46 0.00 0.00 42.92 39.38 1xyc s ASP 649 CO -0.06 -1.21 1.78 0.58 0.52 0.00 0.00 175.17 176.79 1xyc h VAL 650 N 6.20 1.26 -0.60 1.11 2.07 -1.98 -0.46 116.25 123.85 1xyc h VAL 650 Ca -0.23 -1.22 -0.06 0.00 0.82 0.00 0.00 66.70 66.01 1xyc h VAL 650 Cb 1.06 1.47 -0.03 0.00 -1.52 0.00 0.00 31.29 32.28 1xyc h VAL 650 CO 1.10 0.37 0.14 0.03 0.02 0.00 0.00 177.57 179.23 1xyc h ARG 651 N 0.24 0.94 -0.05 1.57 3.08 -1.99 -1.24 114.38 116.92 1xyc h ARG 651 Ca 0.03 -0.21 -0.23 0.00 0.07 0.00 0.00 59.98 59.65 1xyc h ARG 651 Cb 0.63 -0.13 0.01 0.00 0.08 0.00 0.00 29.97 30.56 1xyc h ARG 651 CO 0.05 0.84 -0.89 0.28 -1.07 0.00 0.00 179.97 179.18 1xyc h VAL 652 N 0.90 1.33 -0.33 2.04 2.07 -1.92 -2.45 116.25 117.89 1xyc h VAL 652 Ca 0.19 -2.21 -0.01 0.00 0.82 0.00 0.00 66.70 65.48 1xyc h VAL 652 Cb 0.33 2.24 -0.02 0.00 -1.52 0.00 0.00 31.29 32.32 1xyc h VAL 652 CO 0.00 0.68 0.14 0.00 0.02 0.00 0.00 177.57 178.41 1xyc h ALA 653 N 0.63 1.63 0.00 1.67 0.00 -0.85 -1.30 119.26 121.05 1xyc h ALA 653 Ca -0.08 -0.09 -0.14 0.00 0.00 0.00 0.00 54.91 54.61 1xyc h ALA 653 Cb 1.52 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 19.15 1xyc h ALA 653 CO 0.17 0.30 -0.66 -0.07 0.00 0.00 0.00 179.25 178.98 1xyc h LEU 654 N 0.46 0.00 -0.19 0.00 3.38 -1.11 -0.39 115.31 117.46 1xyc h LEU 654 Ca 0.12 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 1xyc h LEU 654 Cb 0.08 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1xyc h LEU 654 CO -0.01 0.66 0.04 0.44 0.09 0.00 0.00 178.44 179.65 1xyc h ASP 655 N 0.00 0.30 -0.51 -0.43 3.32 -0.86 0.31 116.42 118.54 1xyc h ASP 655 Ca -0.01 -0.25 0.01 0.00 0.02 0.00 0.00 57.03 56.80 1xyc h ASP 655 Cb 1.28 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 40.72 1xyc h ASP 655 CO 0.09 0.47 0.34 0.03 -1.72 0.00 0.00 179.24 178.45 1xyc h ARG 656 N 0.11 0.66 -0.16 3.56 2.47 -1.11 0.08 114.38 120.01 1xyc h ARG 656 Ca 0.06 -0.04 -0.22 0.00 -1.26 0.00 0.00 59.98 58.52 1xyc h ARG 656 Cb 0.30 -0.15 0.01 0.00 -1.65 0.00 0.00 29.97 28.48 1xyc h ARG 656 CO 0.00 0.44 -0.75 1.98 0.56 0.00 0.00 179.97 182.20 1xyc h MET 657 N 0.68 0.78 -0.39 0.04 4.05 -0.88 -1.57 114.93 117.65 1xyc h MET 657 Ca 0.19 -0.64 -0.04 0.00 -0.28 0.00 0.00 59.70 58.94 1xyc h MET 657 Cb -0.06 0.13 -0.02 0.00 -0.80 0.00 0.00 31.60 30.85 1xyc h MET 657 CO -0.04 1.24 0.10 -0.22 0.23 0.00 0.00 176.91 178.22 1xyc h LYS 658 N 0.52 0.62 -0.58 0.39 3.64 -0.74 -2.27 116.57 118.14 1xyc h LYS 658 Ca -0.05 -0.14 0.09 0.00 -1.27 0.00 0.00 60.65 59.27 1xyc h LYS 658 Cb 1.38 -0.08 -0.07 0.00 -0.41 0.00 0.00 32.23 33.05 1xyc h LYS 658 CO 0.16 0.64 0.21 1.49 -2.27 0.00 0.00 179.45 179.68 1xyc h GLU 659 N 0.48 0.38 -0.40 1.90 4.81 -0.90 0.43 114.58 121.29 1xyc h GLU 659 Ca 0.12 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.29 1xyc h GLU 659 Cb 0.29 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.57 1xyc h GLU 659 CO -0.00 0.25 0.09 0.00 -0.73 0.00 0.00 179.01 178.63 1xyc h ALA 660 N 1.40 0.52 -0.11 2.92 0.00 -1.05 -1.90 119.26 121.04 1xyc h ALA 660 Ca 0.29 -0.19 -0.16 0.00 0.00 0.00 0.00 54.91 54.85 1xyc h ALA 660 Cb 0.35 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1xyc h ALA 660 CO -0.30 0.20 -0.61 0.74 0.00 0.00 0.00 179.25 179.29 1xyc h PHE 661 N 0.50 0.50 -0.60 0.00 0.04 -0.98 -2.02 116.94 114.38 1xyc h PHE 661 Ca 0.12 -0.19 -0.10 0.00 2.80 0.00 0.00 57.97 60.61 1xyc h PHE 661 Cb 0.31 -0.09 -0.02 0.00 2.20 0.00 0.00 35.95 38.35 1xyc h PHE 661 CO 0.02 0.90 -0.00 -0.44 -0.60 0.00 0.00 178.31 178.18 1xyc h ASP 662 N 0.29 1.03 -0.32 2.17 3.32 -0.85 -1.49 116.42 120.58 1xyc h ASP 662 Ca -0.01 -0.29 -0.07 0.00 0.02 0.00 0.00 57.03 56.68 1xyc h ASP 662 Cb 1.14 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 40.39 1xyc h ASP 662 CO 0.10 1.08 -0.04 -0.07 -1.72 0.00 0.00 179.24 178.59 1xyc h LEU 663 N 0.96 0.68 -0.71 1.55 3.38 -1.14 -0.35 115.31 119.69 1xyc h LEU 663 Ca 0.17 -0.17 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 1xyc h LEU 663 Cb 0.56 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1xyc h LEU 663 CO 0.03 0.78 -0.34 -0.07 0.09 0.00 0.00 178.44 178.92 1xyc h LEU 664 N 0.65 0.63 -0.45 1.67 3.38 -1.23 -2.01 115.31 117.95 1xyc h LEU 664 Ca 0.12 -0.26 -0.15 0.00 0.09 0.00 0.00 57.88 57.68 1xyc h LEU 664 Cb 0.47 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1xyc h LEU 664 CO 0.02 0.92 -0.37 1.23 0.09 0.00 0.00 178.44 180.34 1xyc h GLY 665 N 1.02 0.97 1.05 0.83 0.00 -0.77 -1.79 103.07 104.39 1xyc h GLY 665 Ca 0.05 -0.97 -0.02 0.00 0.00 0.00 0.00 47.33 46.39 1xyc h GLY 665 CO 0.07 0.88 0.48 -2.09 0.00 0.00 0.00 176.54 175.88 1xyc h GLU 666 N 0.73 1.24 -0.02 4.80 4.81 -1.04 -2.18 114.58 122.93 1xyc h GLU 666 Ca 0.06 -0.15 -0.00 0.00 -0.13 0.00 0.00 59.36 59.14 1xyc h GLU 666 Cb 0.95 -0.24 -0.00 0.00 0.63 0.00 0.00 28.75 30.09 1xyc h GLU 666 CO 0.09 0.91 -0.00 -0.92 -0.73 0.00 0.00 179.01 178.35 1xyc h TYR 667 N 1.24 0.03 -0.02 0.92 3.20 -1.04 -1.33 116.97 119.97 1xyc h TYR 667 Ca 0.31 -0.01 -0.12 0.00 3.14 0.00 0.00 58.73 62.06 1xyc h TYR 667 Cb 0.03 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.28 1xyc h TYR 667 CO 0.01 0.40 -0.54 -0.39 -1.64 0.00 0.00 178.16 176.00 1xyc h VAL 668 N -0.34 1.38 -0.35 1.81 -1.51 -1.30 -1.76 116.25 114.18 1xyc h VAL 668 Ca 0.00 -1.84 -0.03 0.00 -1.23 0.00 0.00 66.70 63.60 1xyc h VAL 668 Cb 0.39 1.97 -0.01 0.00 -2.13 0.00 0.00 31.29 31.51 1xyc h VAL 668 CO 0.00 0.53 0.09 0.74 -1.23 0.00 0.00 177.57 177.70 1xyc h THR 669 N 0.04 1.22 0.00 7.19 2.02 -1.40 0.21 112.91 122.18 1xyc h THR 669 Ca -0.00 -0.73 -0.08 0.00 0.77 0.00 0.00 66.41 66.36 1xyc h THR 669 Cb 0.96 1.03 -0.01 0.00 -1.74 0.00 0.00 68.15 68.39 1xyc h THR 669 CO 0.07 0.25 -0.40 0.77 0.37 0.00 0.00 175.52 176.58 1xyc h SER 670 N 0.41 0.00 1.57 4.18 4.64 -0.97 -0.25 113.55 123.14 1xyc h SER 670 Ca 0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 1xyc h SER 670 Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 1xyc h SER 670 CO -0.00 0.40 0.00 1.56 -0.87 0.00 0.00 176.83 177.92 1xyc h GLN 671 N 0.00 0.00 -4.61 4.77 1.08 -1.16 -3.47 115.11 111.72 1xyc h GLN 671 Ca -0.00 0.00 -0.32 0.00 -1.45 0.00 0.00 58.65 56.88 1xyc h GLN 671 Cb 0.82 0.00 0.10 0.00 -0.05 0.00 0.00 27.48 28.35 1xyc h GLN 671 CO 0.05 0.00 -0.53 0.41 -0.95 0.00 0.00 178.83 177.81 1xyc n GLY 672 N 1.18 -0.25 3.79 3.46 0.00 -0.10 -4.99 105.19 108.27 1xyc n GLY 672 Ca 0.05 0.04 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 1xyc n GLY 672 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xyc s TYR 673 N -3.21 3.76 -0.82 1.61 2.02 -0.25 -5.01 117.35 115.45 1xyc s TYR 673 Ca 0.42 1.66 -0.11 0.00 -0.37 0.00 0.00 57.07 58.68 1xyc s TYR 673 Cb -0.19 -2.82 0.21 0.00 -0.40 0.00 0.00 41.96 38.77 1xyc s TYR 673 CO 0.52 0.33 0.74 0.34 -1.57 0.00 0.00 175.55 175.92 1xyc s ASP 674 N -1.49 6.52 -0.11 2.29 2.15 -1.26 -4.77 116.67 120.01 1xyc s ASP 674 Ca 0.44 -2.84 -0.19 0.00 0.43 0.00 0.00 52.55 50.40 1xyc s ASP 674 Cb -0.20 -2.14 0.04 0.00 -0.30 0.00 0.00 42.92 40.33 1xyc s ASP 674 CO 0.24 -0.50 0.47 0.28 -0.17 0.00 0.00 175.17 175.50 1xyc s THR 675 N -0.06 0.02 0.24 1.71 -1.32 -1.26 -4.75 115.64 110.21 1xyc s THR 675 Ca 0.19 -0.14 0.07 0.00 -1.21 0.00 0.00 61.69 60.59 1xyc s THR 675 Cb -0.12 -0.72 -0.05 0.00 -1.51 0.00 0.00 72.50 70.10 1xyc s THR 675 CO -0.08 -0.08 -0.09 0.00 -2.21 0.00 0.00 174.62 172.16 1xyc s ARG 676 N -0.49 1.41 -0.04 7.08 1.70 -0.53 -5.00 118.95 123.07 1xyc s ARG 676 Ca -0.06 -1.67 -0.01 0.00 -0.47 0.00 0.00 55.73 53.51 1xyc s ARG 676 Cb -0.03 -1.04 -0.04 0.00 -0.57 0.00 0.00 34.95 33.27 1xyc s ARG 676 CO 0.04 0.08 0.05 -0.06 -1.08 0.00 0.00 175.30 174.33 1xyc s PHE 677 N -3.07 3.25 -0.10 5.89 0.08 -0.32 0.31 117.98 124.03 1xyc s PHE 677 Ca 0.26 0.22 0.01 0.00 0.12 0.00 0.00 56.93 57.54 1xyc s PHE 677 Cb 0.02 -1.77 0.02 0.00 -0.57 0.00 0.00 43.02 40.72 1xyc s PHE 677 CO 0.09 0.53 -0.10 0.00 -0.10 0.00 0.00 175.22 175.64 1xyc s ALA 678 N -1.06 1.33 -0.08 5.36 0.00 0.17 -0.80 121.76 126.68 1xyc s ALA 678 Ca 0.18 -0.51 -0.26 0.00 0.00 0.00 0.00 51.96 51.38 1xyc s ALA 678 Cb -0.12 -0.78 -0.03 0.00 0.00 0.00 0.00 23.12 22.20 1xyc s ALA 678 CO 0.08 -0.20 0.81 0.42 0.00 0.00 0.00 175.76 176.87 1xyc s ILE 679 N 1.28 4.95 -0.44 0.00 1.01 -0.27 -1.41 121.20 126.32 1xyc s ILE 679 Ca -0.03 1.66 -0.15 0.00 0.00 0.00 0.00 60.65 62.13 1xyc s ILE 679 Cb -0.14 -4.14 0.05 0.00 0.01 0.00 0.00 42.46 38.24 1xyc s ILE 679 CO -0.04 0.16 0.34 -0.70 0.00 0.00 0.00 174.94 174.71 1xyc s GLU 680 N 1.25 2.95 0.35 2.79 2.12 -0.55 -0.61 118.70 127.00 1xyc s GLU 680 Ca 0.41 -1.22 -0.25 0.00 0.36 0.00 0.00 54.97 54.28 1xyc s GLU 680 Cb -0.18 -4.04 -0.10 0.00 0.26 0.00 0.00 34.13 30.07 1xyc s GLU 680 CO 0.19 -0.90 0.97 -1.25 -0.54 0.00 0.00 175.26 173.73 1xyc s PRO 681 N 1.64 4.45 -0.11 4.30 0.05 -1.26 -4.40 135.00 139.67 1xyc s PRO 681 Ca 0.04 1.35 -0.09 0.00 0.05 0.00 0.00 61.00 62.36 1xyc s PRO 681 Cb -0.22 -2.68 0.04 0.00 0.05 0.00 0.00 34.50 31.69 1xyc s PRO 681 CO 0.08 0.15 0.29 0.21 0.05 0.00 0.00 177.00 177.78 1xyc s LYS 682 N -2.27 0.31 0.17 4.56 2.20 -1.22 -4.71 119.74 118.77 1xyc s LYS 682 Ca 0.53 0.49 0.01 0.00 -0.36 0.00 0.00 55.97 56.63 1xyc s LYS 682 Cb -0.18 0.06 0.03 0.00 -1.51 0.00 0.00 37.83 36.23 1xyc s LYS 682 CO 0.24 -0.09 1.41 -1.00 -0.36 0.00 0.00 175.35 175.54 1xyc h PRO 683 N 6.30 0.28 -2.59 4.03 0.13 -1.66 -3.39 132.00 135.11 1xyc h PRO 683 Ca -0.32 -0.27 0.13 0.00 -0.87 0.00 0.00 66.00 64.68 1xyc h PRO 683 Cb 1.18 0.07 -0.06 0.00 0.13 0.00 0.00 31.00 32.32 1xyc h PRO 683 CO 0.34 0.95 0.41 0.54 -0.23 0.00 0.00 178.00 180.00 1xyc s ASN 684 N -6.96 -0.17 0.02 1.44 4.22 -1.26 -1.67 114.94 110.56 1xyc s ASN 684 Ca -0.04 -0.55 0.00 0.00 -2.14 0.00 0.00 52.86 50.13 1xyc s ASN 684 Cb 0.10 0.59 0.00 0.00 1.28 0.00 0.00 41.25 43.22 1xyc s ASN 684 CO 0.83 -1.10 0.00 1.21 -2.04 0.00 0.00 177.10 176.00 1xyc n GLU 685 N -0.50 -1.87 0.00 3.55 2.13 -1.26 -4.84 120.64 117.85 1xyc n GLU 685 Ca -0.05 1.67 0.14 0.00 0.66 0.00 0.00 57.16 59.58 1xyc n GLU 685 Cb 0.60 -1.89 0.61 0.00 0.27 0.00 0.00 31.44 31.03 1xyc n GLU 685 CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 1xyc n PRO 686 N 0.65 0.40 -3.21 5.31 -0.04 -1.26 -5.01 135.00 131.86 1xyc n PRO 686 Ca 0.00 -0.10 -0.28 0.00 -0.04 0.00 0.00 63.50 63.08 1xyc n PRO 686 Cb 0.00 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 31.94 1xyc n PRO 686 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1xyc s ARG 687 N -2.67 3.61 0.22 0.54 1.81 -1.26 -4.98 118.95 116.22 1xyc s ARG 687 Ca 0.24 0.01 -0.08 0.00 -1.72 0.00 0.00 55.73 54.18 1xyc s ARG 687 Cb 0.20 -2.59 0.30 0.00 -0.45 0.00 0.00 34.95 32.41 1xyc s ARG 687 CO 0.51 0.12 1.78 0.78 -0.68 0.00 0.00 175.30 177.81 1xyc h GLY 688 N 1.27 1.00 -5.81 -3.53 0.00 -1.86 -3.41 103.07 90.73 1xyc h GLY 688 Ca -0.48 -0.21 -0.25 0.00 0.00 0.00 0.00 47.33 46.40 1xyc h GLY 688 CO 0.64 0.06 -0.72 0.99 0.00 0.00 0.00 176.54 177.51 1xyc s ASP 689 N -5.49 0.02 -0.04 0.19 1.01 -0.67 -4.65 116.67 107.04 1xyc s ASP 689 Ca -0.13 0.01 -0.01 0.00 0.71 0.00 0.00 52.55 53.13 1xyc s ASP 689 Cb 0.17 -0.02 -0.04 0.00 1.01 0.00 0.00 42.92 44.05 1xyc s ASP 689 CO 0.76 -0.04 0.04 -0.63 0.21 0.00 0.00 175.17 175.52 1xyc s ILE 690 N 0.29 4.54 0.49 0.77 1.01 -0.67 -2.06 121.20 125.57 1xyc s ILE 690 Ca -0.02 -0.34 -0.22 0.00 0.00 0.00 0.00 60.65 60.07 1xyc s ILE 690 Cb -0.03 -3.00 -0.07 0.00 0.01 0.00 0.00 42.46 39.37 1xyc s ILE 690 CO -0.01 0.46 1.17 -0.76 0.00 0.00 0.00 174.94 175.80 1xyc s LEU 691 N -1.36 3.91 -1.02 2.97 1.43 -0.49 -3.62 118.68 120.50 1xyc s LEU 691 Ca 0.18 2.29 -0.11 0.00 -1.03 0.00 0.00 54.13 55.47 1xyc s LEU 691 Cb -0.12 -4.36 -0.03 0.00 0.03 0.00 0.00 46.19 41.72 1xyc s LEU 691 CO 0.08 -1.06 0.81 0.18 0.23 0.00 0.00 176.35 176.60 1xyc n LEU 692 N -0.79 -4.46 0.20 1.79 4.77 -1.26 -4.81 117.00 112.43 1xyc n LEU 692 Ca 0.09 -0.75 0.15 0.00 -0.03 0.00 0.00 56.01 55.47 1xyc n LEU 692 Cb 0.49 -2.80 0.60 0.00 -2.33 0.00 0.00 43.42 39.38 1xyc n LEU 692 CO 0.46 0.07 0.92 1.55 -1.33 0.00 0.00 177.39 179.06 1xyc h PRO 693 N -1.11 0.00 -4.56 3.23 0.13 -1.74 -3.34 132.00 124.60 1xyc h PRO 693 Ca -0.53 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.33 1xyc h PRO 693 Cb 1.29 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.28 1xyc h PRO 693 CO 0.43 0.00 -0.55 0.95 -0.23 0.00 0.00 178.00 178.60 1xyc s THR 694 N -3.50 0.00 0.25 1.56 -4.23 -1.26 -2.20 115.64 106.26 1xyc s THR 694 Ca 0.02 -1.94 -0.04 0.00 -1.18 0.00 0.00 61.69 58.55 1xyc s THR 694 Cb 0.09 -2.48 0.24 0.00 1.34 0.00 0.00 72.50 71.68 1xyc s THR 694 CO 0.45 0.00 1.70 0.58 -0.54 0.00 0.00 174.62 176.81 1xyc h VAL 695 N 2.50 0.55 -0.55 2.29 2.07 -1.91 -2.16 116.25 119.04 1xyc h VAL 695 Ca -0.33 -0.11 -0.03 0.00 0.82 0.00 0.00 66.70 67.04 1xyc h VAL 695 Cb 1.25 0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 31.18 1xyc h VAL 695 CO 0.49 0.06 0.21 1.23 0.02 0.00 0.00 177.57 179.58 1xyc h GLY 696 N 0.33 0.88 1.24 2.17 0.00 -1.96 0.24 103.07 105.97 1xyc h GLY 696 Ca 0.43 -0.49 -0.09 0.00 0.00 0.00 0.00 47.33 47.18 1xyc h GLY 696 CO -0.48 0.46 -0.04 0.45 0.00 0.00 0.00 176.54 176.93 1xyc h HIS 697 N 0.75 0.99 -0.50 5.60 -0.00 -1.76 -1.05 115.15 119.18 1xyc h HIS 697 Ca 0.18 -0.17 -0.11 0.00 -0.00 0.00 0.00 60.37 60.28 1xyc h HIS 697 Cb 0.21 -0.26 -0.02 0.00 -0.00 0.00 0.00 27.41 27.35 1xyc h HIS 697 CO 0.01 0.91 -0.11 0.00 -0.00 0.00 0.00 177.93 178.74 1xyc h ALA 698 N 1.12 0.68 -0.74 2.45 0.00 -1.19 -2.26 119.26 119.32 1xyc h ALA 698 Ca 0.15 -0.34 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 1xyc h ALA 698 Cb 0.54 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1xyc h ALA 698 CO 0.03 0.59 0.28 -0.07 0.00 0.00 0.00 179.25 180.08 1xyc h LEU 699 N 0.81 1.04 -0.66 0.00 3.38 -0.65 -2.26 115.31 116.98 1xyc h LEU 699 Ca 0.13 -0.18 -0.11 0.00 0.09 0.00 0.00 57.88 57.81 1xyc h LEU 699 Cb 0.67 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 1xyc h LEU 699 CO 0.05 0.94 -0.10 0.00 0.09 0.00 0.00 178.44 179.41 1xyc h ALA 700 N 1.14 0.86 -0.73 1.53 0.00 -1.16 -3.10 119.26 117.80 1xyc h ALA 700 Ca 0.25 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1xyc h ALA 700 Cb 0.24 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1xyc h ALA 700 CO -0.02 0.65 0.34 0.35 0.00 0.00 0.00 179.25 180.57 1xyc h PHE 701 N 0.84 1.07 -0.63 0.00 3.57 -1.08 -2.96 116.94 117.75 1xyc h PHE 701 Ca 0.14 -0.06 0.06 0.00 3.53 0.00 0.00 57.97 61.64 1xyc h PHE 701 Cb 0.64 -0.33 -0.04 0.00 2.79 0.00 0.00 35.95 39.01 1xyc h PHE 701 CO 0.04 0.79 0.42 0.82 -2.23 0.00 0.00 178.31 178.15 1xyc h ILE 702 N 1.03 1.00 0.00 1.41 2.04 -1.33 -1.49 117.51 120.16 1xyc h ILE 702 Ca 0.25 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.90 1xyc h ILE 702 Cb 0.14 0.33 0.00 0.00 -0.74 0.00 0.00 36.82 36.54 1xyc h ILE 702 CO -0.03 0.11 0.00 -0.33 0.00 0.00 0.00 178.15 177.90 1xyc h GLU 703 N 0.62 0.00 -0.09 2.37 4.39 -1.53 -1.95 114.58 118.39 1xyc h GLU 703 Ca 0.27 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.97 1xyc h GLU 703 Cb 0.28 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.93 1xyc h GLU 703 CO -0.08 0.00 0.00 0.54 -1.16 0.00 0.00 179.01 178.31 1xyc n ARG 704 N -2.40 2.18 -2.30 2.33 3.00 -0.56 -4.95 116.66 113.95 1xyc n ARG 704 Ca 0.01 -1.73 -0.30 0.00 -0.01 0.00 0.00 57.85 55.82 1xyc n ARG 704 Cb 0.19 -1.47 -0.00 0.00 0.00 0.00 0.00 32.46 31.18 1xyc n ARG 704 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1xyc s LEU 705 N -1.90 3.47 0.23 0.55 1.43 -0.73 -4.99 118.68 116.73 1xyc s LEU 705 Ca 0.32 1.22 -0.08 0.00 -1.03 0.00 0.00 54.13 54.56 1xyc s LEU 705 Cb 0.20 -4.20 0.21 0.00 0.03 0.00 0.00 46.19 42.43 1xyc s LEU 705 CO 0.31 -0.69 1.89 -0.08 0.23 0.00 0.00 176.35 178.01 1xyc h GLU 706 N 0.15 1.19 -2.37 1.70 4.81 -1.92 -3.31 114.58 114.84 1xyc h GLU 706 Ca -0.46 -0.10 -0.60 0.00 -0.13 0.00 0.00 59.36 58.08 1xyc h GLU 706 Cb 1.19 -0.26 -0.42 0.00 0.63 0.00 0.00 28.75 29.90 1xyc h GLU 706 CO 0.62 0.82 -0.61 0.54 -0.73 0.00 0.00 179.01 179.65 1xyc n ARG 707 N -4.42 2.28 -0.14 1.92 1.74 -1.26 -4.98 116.66 111.81 1xyc n ARG 707 Ca 0.10 -4.56 0.21 0.00 -0.77 0.00 0.00 57.85 52.83 1xyc n ARG 707 Cb 0.04 -2.21 0.62 0.00 -1.02 0.00 0.00 32.46 29.89 1xyc n ARG 707 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 1xyc h PRO 708 N 4.43 0.18 0.00 5.56 0.11 -1.79 -2.27 132.00 138.21 1xyc h PRO 708 Ca 0.18 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.28 1xyc h PRO 708 Cb 0.69 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.76 1xyc h PRO 708 CO 0.79 0.12 0.00 1.05 -0.21 0.00 0.00 178.00 179.75 1xyc h GLU 709 N 0.18 0.00 -0.00 1.05 9.09 -1.93 -2.11 114.58 120.85 1xyc h GLU 709 Ca 0.37 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.78 1xyc h GLU 709 Cb 1.19 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.29 1xyc h GLU 709 CO -0.07 0.00 -0.09 1.28 0.05 0.00 0.00 179.01 180.18 1xyc n LEU 710 N -2.69 0.40 -4.01 3.06 4.32 -0.85 -4.90 117.00 112.33 1xyc n LEU 710 Ca -0.01 0.04 -0.18 0.00 -0.02 0.00 0.00 56.01 55.84 1xyc n LEU 710 Cb 0.12 -0.19 -0.14 0.00 -1.62 0.00 0.00 43.42 41.58 1xyc n LEU 710 CO 0.18 0.07 -0.42 -0.31 -1.22 0.00 0.00 177.39 175.69 1xyc s TYR 711 N -2.47 0.72 0.00 -1.77 1.51 -0.80 -1.17 117.35 113.37 1xyc s TYR 711 Ca 0.29 -0.16 0.00 0.00 -1.01 0.00 0.00 57.07 56.19 1xyc s TYR 711 Cb 0.20 -0.46 0.00 0.00 -0.11 0.00 0.00 41.96 41.59 1xyc s TYR 711 CO 0.47 -0.01 0.00 0.41 -1.11 0.00 0.00 175.55 175.31 1xyc n GLY 712 N 2.76 4.62 3.43 0.71 0.00 0.02 -4.98 105.19 111.75 1xyc n GLY 712 Ca -0.14 -1.31 -0.29 0.00 0.00 0.00 0.00 46.02 44.28 1xyc n GLY 712 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1xyc s VAL 713 N -1.49 2.49 -0.69 1.61 -7.23 -0.55 -1.12 120.40 113.42 1xyc s VAL 713 Ca 0.00 -1.68 0.05 0.00 -1.81 0.00 0.00 61.98 58.54 1xyc s VAL 713 Cb 0.00 -2.12 0.17 0.00 0.56 0.00 0.00 36.38 34.98 1xyc s VAL 713 CO 0.00 0.08 0.47 0.21 -0.31 0.00 0.00 175.10 175.56 1xyc s ASN 714 N -2.12 4.78 0.51 4.85 2.47 0.22 -3.14 114.94 122.51 1xyc s ASN 714 Ca 0.16 -3.78 -0.21 0.00 0.42 0.00 0.00 52.86 49.45 1xyc s ASN 714 Cb -0.10 -1.64 -0.07 0.00 -1.45 0.00 0.00 41.25 38.00 1xyc s ASN 714 CO 0.08 -0.10 1.12 -2.84 -3.72 0.00 0.00 177.10 171.64 1xyc s PRO 715 N -1.35 3.56 -0.06 0.43 0.02 -1.26 -4.27 135.00 132.07 1xyc s PRO 715 Ca 0.24 1.61 0.05 0.00 0.02 0.00 0.00 61.00 62.92 1xyc s PRO 715 Cb -0.06 -2.14 -0.00 0.00 0.02 0.00 0.00 34.50 32.31 1xyc s PRO 715 CO -0.15 -0.68 -0.22 -2.00 -0.33 0.00 0.00 177.00 173.62 1xyc s GLU 716 N -3.09 2.33 0.13 5.54 2.12 -1.26 -0.88 118.70 123.60 1xyc s GLU 716 Ca 0.69 -0.77 -0.31 0.00 0.36 0.00 0.00 54.97 54.93 1xyc s GLU 716 Cb -0.24 -1.94 -0.08 0.00 0.26 0.00 0.00 34.13 32.13 1xyc s GLU 716 CO 0.28 0.28 1.56 0.28 -0.54 0.00 0.00 175.26 177.12 1xyc h VAL 717 N 5.29 0.04 -0.19 3.70 2.07 -1.71 -2.53 116.25 122.92 1xyc h VAL 717 Ca -0.30 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.18 1xyc h VAL 717 Cb 1.19 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 1xyc h VAL 717 CO 0.47 0.00 -0.08 1.23 0.02 0.00 0.00 177.57 179.21 1xyc h GLY 718 N -0.43 0.31 0.93 2.17 0.00 -1.86 -2.91 103.07 101.28 1xyc h GLY 718 Ca 0.08 -0.18 -0.05 0.00 0.00 0.00 0.00 47.33 47.18 1xyc h GLY 718 CO -0.54 0.17 0.05 0.45 0.00 0.00 0.00 176.54 176.67 1xyc h HIS 719 N 0.28 0.69 -0.08 5.60 3.86 -1.79 -1.76 115.15 121.95 1xyc h HIS 719 Ca 0.06 -0.10 -0.13 0.00 -1.16 0.00 0.00 60.37 59.03 1xyc h HIS 719 Cb 0.33 -0.19 -0.01 0.00 1.06 0.00 0.00 27.41 28.60 1xyc h HIS 719 CO 0.01 0.70 -0.55 0.93 0.86 0.00 0.00 177.93 179.87 1xyc h GLU 720 N 0.49 0.23 0.00 2.45 4.39 -1.49 -2.85 114.58 117.80 1xyc h GLU 720 Ca 0.12 -0.15 -0.00 0.00 0.34 0.00 0.00 59.36 59.66 1xyc h GLU 720 Cb 0.39 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.05 1xyc h GLU 720 CO 0.01 0.73 -0.02 1.96 -1.16 0.00 0.00 179.01 180.52 1xyc h GLN 721 N 0.18 0.00 0.00 2.33 4.20 -1.31 -2.11 115.11 118.40 1xyc h GLN 721 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1xyc h GLN 721 Cb 1.03 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.81 1xyc h GLN 721 CO 0.09 0.02 0.00 0.52 -0.67 0.00 0.00 178.83 178.79 1xyc h MET 722 N 0.00 0.00 -0.61 1.46 2.86 -1.07 -1.07 114.93 116.50 1xyc h MET 722 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1xyc h MET 722 Cb 0.52 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.18 1xyc h MET 722 CO 0.00 0.00 0.00 0.00 1.06 0.00 0.00 176.91 177.97 1xyc n ALA 723 N -1.99 2.35 -1.37 6.32 0.00 -0.92 -4.74 120.51 120.16 1xyc n ALA 723 Ca 0.01 -1.22 -0.13 0.00 0.00 0.00 0.00 53.44 52.10 1xyc n ALA 723 Cb 0.28 -0.83 -0.05 0.00 0.00 0.00 0.00 19.45 18.85 1xyc n ALA 723 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xyc n GLY 724 N 1.44 1.34 3.91 0.00 0.00 -0.40 -5.01 105.19 106.47 1xyc n GLY 724 Ca 0.21 -0.44 -0.27 0.00 0.00 0.00 0.00 46.02 45.53 1xyc n GLY 724 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xyc s LEU 725 N -2.87 3.86 -0.49 0.99 1.43 -0.84 -4.98 118.68 115.78 1xyc s LEU 725 Ca 0.00 0.75 -0.26 0.00 -1.03 0.00 0.00 54.13 53.59 1xyc s LEU 725 Cb 0.00 -3.64 0.03 0.00 0.03 0.00 0.00 46.19 42.61 1xyc s LEU 725 CO 0.00 -0.39 0.98 0.21 0.23 0.00 0.00 176.35 177.38 1xyc s ASN 726 N -3.77 6.48 0.03 2.29 3.84 -1.26 -4.27 114.94 118.27 1xyc s ASN 726 Ca 0.45 0.07 -0.25 0.00 0.21 0.00 0.00 52.86 53.34 1xyc s ASN 726 Cb -0.10 -2.47 -0.18 0.00 -0.55 0.00 0.00 41.25 37.95 1xyc s ASN 726 CO 0.37 -1.15 1.48 0.15 -2.79 0.00 0.00 177.10 175.17 1xyc h PHE 727 N 9.19 -0.01 -1.06 0.43 3.57 -1.91 -1.79 116.94 125.36 1xyc h PHE 727 Ca -0.24 -0.00 0.29 0.00 3.53 0.00 0.00 57.97 61.54 1xyc h PHE 727 Cb 1.07 0.00 -0.11 0.00 2.79 0.00 0.00 35.95 39.70 1xyc h PHE 727 CO 0.91 0.25 0.66 -1.35 -2.23 0.00 0.00 178.31 176.55 1xyc h PRO 728 N -0.27 0.39 -0.41 6.41 0.11 -1.92 -0.69 132.00 135.61 1xyc h PRO 728 Ca -0.00 -0.02 -0.12 0.00 0.11 0.00 0.00 66.00 65.97 1xyc h PRO 728 Cb 0.27 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.27 1xyc h PRO 728 CO 0.00 0.26 -0.21 0.45 -0.21 0.00 0.00 178.00 178.29 1xyc h HIS 729 N 0.40 0.92 -0.48 0.65 3.86 -1.86 -1.41 115.15 117.23 1xyc h HIS 729 Ca 0.65 -0.21 -0.09 0.00 -1.16 0.00 0.00 60.37 59.57 1xyc h HIS 729 Cb 1.58 -0.22 -0.02 0.00 1.06 0.00 0.00 27.41 29.82 1xyc h HIS 729 CO -0.00 0.95 -0.05 0.78 0.86 0.00 0.00 177.93 180.47 1xyc h GLY 730 N 0.95 0.95 1.10 2.45 0.00 -0.37 -2.15 103.07 106.01 1xyc h GLY 730 Ca 0.10 -0.74 -0.09 0.00 0.00 0.00 0.00 47.33 46.60 1xyc h GLY 730 CO 0.06 0.68 0.05 -2.22 0.00 0.00 0.00 176.54 175.10 1xyc h ILE 731 N 0.74 1.26 -0.59 2.60 1.08 -1.12 -2.42 117.51 119.06 1xyc h ILE 731 Ca 0.13 -1.10 -0.01 0.00 -0.39 0.00 0.00 64.86 63.49 1xyc h ILE 731 Cb 0.58 0.72 -0.03 0.00 -3.07 0.00 0.00 36.82 35.02 1xyc h ILE 731 CO 0.03 0.41 0.33 0.00 -0.69 0.00 0.00 178.15 178.23 1xyc h ALA 732 N 1.04 1.46 -0.28 1.87 0.00 -0.93 -0.18 119.26 122.23 1xyc h ALA 732 Ca 0.19 -0.09 -0.16 0.00 0.00 0.00 0.00 54.91 54.84 1xyc h ALA 732 Cb 0.51 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 1xyc h ALA 732 CO 0.02 0.45 -0.48 0.37 0.00 0.00 0.00 179.25 179.61 1xyc h GLN 733 N 0.82 0.76 -0.60 0.00 4.15 -1.27 0.21 115.11 119.18 1xyc h GLN 733 Ca 0.21 -0.44 -0.06 0.00 0.77 0.00 0.00 58.65 59.13 1xyc h GLN 733 Cb 0.02 0.04 -0.02 0.00 0.21 0.00 0.00 27.48 27.72 1xyc h GLN 733 CO -0.04 1.07 0.15 0.00 -1.93 0.00 0.00 178.83 178.08 1xyc h ALA 734 N 0.85 0.80 -0.33 3.38 0.00 -0.96 -1.13 119.26 121.86 1xyc h ALA 734 Ca 0.03 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 1xyc h ALA 734 Cb 1.05 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 1xyc h ALA 734 CO 0.10 0.50 0.01 -0.07 0.00 0.00 0.00 179.25 179.79 1xyc h LEU 735 N 0.88 0.57 -1.08 0.00 3.38 -0.98 -0.63 115.31 117.44 1xyc h LEU 735 Ca 0.19 -0.30 0.07 0.00 0.09 0.00 0.00 57.88 57.93 1xyc h LEU 735 Cb 0.35 -0.15 -0.07 0.00 0.09 0.00 0.00 40.66 40.88 1xyc h LEU 735 CO 0.00 0.73 0.62 -0.25 0.09 0.00 0.00 178.44 179.63 1xyc h TRP 736 N 0.39 1.11 0.00 1.13 7.01 -0.82 -0.79 115.95 123.99 1xyc h TRP 736 Ca 0.10 0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.12 1xyc h TRP 736 Cb 0.43 -0.36 0.00 0.00 -2.10 0.00 0.00 29.16 27.13 1xyc h TRP 736 CO 0.03 0.56 0.00 0.00 -2.79 0.00 0.00 178.44 176.25 1xyc n ALA 737 N -2.38 2.35 -1.87 2.65 0.00 -0.44 -4.92 120.51 115.89 1xyc n ALA 737 Ca 0.15 -0.12 -0.08 0.00 0.00 0.00 0.00 53.44 53.39 1xyc n ALA 737 Cb 0.21 -1.45 -0.01 0.00 0.00 0.00 0.00 19.45 18.20 1xyc n ALA 737 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xyc n GLY 738 N 1.11 0.33 0.05 0.00 0.00 -0.30 -4.95 105.19 101.43 1xyc n GLY 738 Ca 0.12 -0.59 0.05 0.00 0.00 0.00 0.00 46.02 45.61 1xyc n GLY 738 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1xyc n LYS 739 N -2.08 1.97 -2.92 1.61 4.76 -0.32 -4.89 118.16 116.29 1xyc n LYS 739 Ca -0.09 -2.07 -0.44 0.00 -2.87 0.00 0.00 58.31 52.84 1xyc n LYS 739 Cb 0.48 -1.26 -0.03 0.00 -1.84 0.00 0.00 35.03 32.38 1xyc n LYS 739 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 1xyc s LEU 740 N -2.01 5.02 0.24 -0.35 2.96 -1.23 -1.48 118.68 121.84 1xyc s LEU 740 Ca 0.18 -1.99 0.18 0.00 -0.22 0.00 0.00 54.13 52.28 1xyc s LEU 740 Cb 0.15 -2.40 0.05 0.00 0.50 0.00 0.00 46.19 44.50 1xyc s LEU 740 CO 0.02 -1.08 1.25 -0.26 -1.32 0.00 0.00 176.35 174.95 1xyc h PHE 741 N 8.87 0.00 -2.59 5.38 -1.00 -1.89 -3.49 116.94 122.23 1xyc h PHE 741 Ca 0.13 0.00 0.12 0.00 2.81 0.00 0.00 57.97 61.03 1xyc h PHE 741 Cb 1.03 0.00 -0.08 0.00 3.61 0.00 0.00 35.95 40.50 1xyc h PHE 741 CO 1.15 0.35 0.38 -1.58 -1.61 0.00 0.00 178.31 177.00 1xyc s HIS 742 N -3.06 -0.21 -0.07 -0.55 2.46 -1.22 -4.90 115.29 107.73 1xyc s HIS 742 Ca 0.02 -0.12 -0.12 0.00 0.47 0.00 0.00 55.06 55.31 1xyc s HIS 742 Cb 0.08 0.64 0.03 0.00 -0.13 0.00 0.00 32.58 33.20 1xyc s HIS 742 CO 0.76 -0.92 0.30 -1.50 -2.47 0.00 0.00 174.74 170.90 1xyc s ILE 743 N -3.50 0.03 -0.17 0.89 2.07 -1.26 -4.15 121.20 115.11 1xyc s ILE 743 Ca 0.10 -0.23 -0.01 0.00 -1.41 0.00 0.00 60.65 59.09 1xyc s ILE 743 Cb -0.03 -0.50 -0.01 0.00 0.13 0.00 0.00 42.46 42.05 1xyc s ILE 743 CO 0.01 -0.13 -0.11 -1.81 -1.91 0.00 0.00 174.94 171.00 1xyc s ASP 744 N -0.52 4.00 -0.19 4.50 1.01 -0.06 -3.56 116.67 121.84 1xyc s ASP 744 Ca -0.06 -0.40 -0.06 0.00 0.71 0.00 0.00 52.55 52.74 1xyc s ASP 744 Cb -0.04 -1.64 -0.03 0.00 1.01 0.00 0.00 42.92 42.22 1xyc s ASP 744 CO 0.02 0.07 0.04 -0.76 0.21 0.00 0.00 175.17 174.75 1xyc s LEU 745 N 0.92 3.56 0.00 1.23 1.43 0.31 -1.94 118.68 124.19 1xyc s LEU 745 Ca -0.02 -0.05 0.00 0.00 -1.03 0.00 0.00 54.13 53.03 1xyc s LEU 745 Cb -0.15 -1.90 0.00 0.00 0.03 0.00 0.00 46.19 44.17 1xyc s LEU 745 CO -0.00 0.12 0.00 -0.46 0.23 0.00 0.00 176.35 176.23 1xyc n ASN 746 N 3.91 0.00 -4.13 2.29 0.23 -1.26 -2.64 115.26 113.66 1xyc n ASN 746 Ca -0.17 -0.10 -0.12 0.00 -0.53 0.00 0.00 54.58 53.66 1xyc n ASN 746 Cb 0.52 0.00 -0.11 0.00 -2.08 0.00 0.00 39.78 38.11 1xyc n ASN 746 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 1xyc s GLY 747 N -0.25 0.69 -0.14 4.83 0.00 -0.52 -4.40 107.32 107.52 1xyc s GLY 747 Ca 0.00 -1.10 -0.10 0.00 0.00 0.00 0.00 44.72 43.52 1xyc s GLY 747 CO 0.00 -1.18 0.35 1.62 0.00 0.00 0.00 173.10 173.89 1xyc s GLN 748 N -2.79 0.36 -0.95 2.90 2.00 -1.26 -1.64 119.66 118.28 1xyc s GLN 748 Ca 0.03 0.62 -0.01 0.00 -2.00 0.00 0.00 55.36 54.00 1xyc s GLN 748 Cb -0.02 0.04 0.31 0.00 0.80 0.00 0.00 33.01 34.14 1xyc s GLN 748 CO -0.02 -0.12 1.43 -1.13 -0.50 0.00 0.00 175.29 174.96 1xyc n SER 749 N 3.73 6.15 0.00 6.67 3.41 -1.26 -3.29 113.62 129.03 1xyc n SER 749 Ca -0.20 -3.54 0.00 0.00 -0.26 0.00 0.00 58.87 54.88 1xyc n SER 749 Cb 0.56 -1.08 0.00 0.00 -0.26 0.00 0.00 64.21 63.43 1xyc n SER 749 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xyc n GLY 750 N 0.65 -1.65 3.52 5.00 0.00 -1.26 -4.86 105.19 106.59 1xyc n GLY 750 Ca 0.34 -2.11 -0.43 0.00 0.00 0.00 0.00 46.02 43.82 1xyc n GLY 750 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xyc s ILE 751 N -0.14 4.54 0.03 -0.61 1.01 -1.26 -4.51 121.20 120.26 1xyc s ILE 751 Ca 0.00 0.22 -0.05 0.00 0.00 0.00 0.00 60.65 60.82 1xyc s ILE 751 Cb 0.00 -4.43 0.02 0.00 0.01 0.00 0.00 42.46 38.06 1xyc s ILE 751 CO 0.00 -0.94 0.25 2.29 0.00 0.00 0.00 174.94 176.54 1xyc n LYS 752 N 7.03 0.12 -0.77 2.79 2.85 -1.26 -5.09 118.16 123.83 1xyc n LYS 752 Ca 0.01 -0.30 -0.32 0.00 -1.05 0.00 0.00 58.31 56.65 1xyc n LYS 752 Cb 0.47 0.41 0.13 0.00 -0.65 0.00 0.00 35.03 35.40 1xyc n LYS 752 CO 0.00 0.00 0.00 2.48 -0.05 0.00 0.00 177.40 179.83 1xyc n TYR 753 N -0.18 -0.77 -2.16 5.58 4.11 -1.26 -4.85 117.16 117.64 1xyc n TYR 753 Ca -0.00 0.28 -0.40 0.00 -0.00 0.00 0.00 57.90 57.78 1xyc n TYR 753 Cb 0.13 -1.85 -0.03 0.00 -0.00 0.00 0.00 39.34 37.59 1xyc n TYR 753 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.86 177.20 1xyc s ASP 754 N -2.19 5.69 0.02 9.48 2.15 -1.26 -4.91 116.67 125.64 1xyc s ASP 754 Ca 0.60 0.49 -0.04 0.00 0.43 0.00 0.00 52.55 54.03 1xyc s ASP 754 Cb -0.22 -2.53 -0.28 0.00 -0.30 0.00 0.00 42.92 39.58 1xyc s ASP 754 CO 0.65 -2.02 0.93 1.56 -0.17 0.00 0.00 175.17 176.12 1xyc h GLN 755 N 13.19 0.27 -6.10 4.34 4.20 -1.89 -3.48 115.11 125.64 1xyc h GLN 755 Ca -0.28 -0.46 -0.43 0.00 0.06 0.00 0.00 58.65 57.54 1xyc h GLN 755 Cb 1.14 0.17 0.04 0.00 0.30 0.00 0.00 27.48 29.13 1xyc h GLN 755 CO 1.17 1.16 -0.78 -0.25 -0.67 0.00 0.00 178.83 179.46 1xyc n ASP 756 N -3.49 -3.11 -4.64 1.46 8.00 -1.23 -4.67 116.55 108.88 1xyc n ASP 756 Ca -0.15 -0.76 -0.29 0.00 0.71 0.00 0.00 54.79 54.30 1xyc n ASP 756 Cb 1.04 -4.19 0.18 0.00 -0.02 0.00 0.00 41.12 38.13 1xyc n ASP 756 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1xyc s LEU 757 N -6.94 1.77 0.56 0.64 1.43 -0.65 -0.68 118.68 114.82 1xyc s LEU 757 Ca 0.30 1.52 -0.19 0.00 -1.03 0.00 0.00 54.13 54.73 1xyc s LEU 757 Cb -0.15 -3.74 -0.05 0.00 0.03 0.00 0.00 46.19 42.29 1xyc s LEU 757 CO 0.80 -3.26 1.16 0.00 0.23 0.00 0.00 176.35 175.29 1xyc s ARG 758 N -4.77 3.21 0.33 1.70 1.70 -1.26 -1.44 118.95 118.42 1xyc s ARG 758 Ca 0.66 1.70 -0.29 0.00 -0.47 0.00 0.00 55.73 57.33 1xyc s ARG 758 Cb -0.21 -1.98 -0.12 0.00 -0.57 0.00 0.00 34.95 32.07 1xyc s ARG 758 CO 0.59 -0.98 1.39 0.34 -1.08 0.00 0.00 175.30 175.56 1xyc n PHE 759 N -1.40 2.50 0.00 5.89 7.35 -1.26 -1.99 117.46 128.56 1xyc n PHE 759 Ca 0.12 0.48 0.00 0.00 -0.76 0.00 0.00 57.45 57.29 1xyc n PHE 759 Cb 0.50 -2.47 0.00 0.00 0.35 0.00 0.00 39.48 37.86 1xyc n PHE 759 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1xyc n GLY 760 N 1.05 3.07 3.77 7.13 0.00 -1.26 -4.47 105.19 114.48 1xyc n GLY 760 Ca 0.05 -0.94 -0.30 0.00 0.00 0.00 0.00 46.02 44.84 1xyc n GLY 760 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xyc s ALA 761 N -0.74 2.02 0.00 4.61 0.00 -0.84 -4.12 121.76 122.68 1xyc s ALA 761 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 51.96 51.88 1xyc s ALA 761 Cb 0.00 -3.16 0.00 0.00 0.00 0.00 0.00 23.12 19.96 1xyc s ALA 761 CO 0.00 -1.93 0.00 0.41 0.00 0.00 0.00 175.76 174.24 1xyc n GLY 762 N -1.63 1.41 3.44 0.00 0.00 -1.26 -4.11 105.19 103.03 1xyc n GLY 762 Ca 0.07 -0.71 -0.43 0.00 0.00 0.00 0.00 46.02 44.95 1xyc n GLY 762 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1xyc s ASP 763 N -4.00 6.24 0.15 1.61 -1.08 -1.21 -4.89 116.67 113.49 1xyc s ASP 763 Ca 0.00 -1.21 -0.14 0.00 -0.52 0.00 0.00 52.55 50.69 1xyc s ASP 763 Cb 0.00 -2.40 0.02 0.00 -1.46 0.00 0.00 42.92 39.08 1xyc s ASP 763 CO 0.00 -1.34 1.66 0.25 0.52 0.00 0.00 175.17 176.25 1xyc h LEU 764 N 11.03 0.72 -1.02 -1.34 5.85 -1.82 -2.40 115.31 126.34 1xyc h LEU 764 Ca -0.22 -0.23 -0.08 0.00 0.84 0.00 0.00 57.88 58.19 1xyc h LEU 764 Cb 1.07 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.89 1xyc h LEU 764 CO 1.16 0.76 -0.17 0.03 -0.34 0.00 0.00 178.44 179.88 1xyc h ARG 765 N 0.65 0.50 -0.17 1.25 2.47 -1.92 -2.15 114.38 115.01 1xyc h ARG 765 Ca 0.15 -0.16 -0.10 0.00 -1.26 0.00 0.00 59.98 58.61 1xyc h ARG 765 Cb 0.31 -0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 28.57 1xyc h ARG 765 CO -0.00 0.66 -0.32 0.00 0.56 0.00 0.00 179.97 180.87 1xyc h ALA 766 N 1.36 1.13 -0.73 0.04 0.00 -1.94 -1.32 119.26 117.81 1xyc h ALA 766 Ca 0.08 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 1xyc h ALA 766 Cb 0.56 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 1xyc h ALA 766 CO 0.04 0.56 0.35 0.00 0.00 0.00 0.00 179.25 180.20 1xyc h ALA 767 N 1.36 0.93 -0.16 0.00 0.00 -0.90 -0.17 119.26 120.32 1xyc h ALA 767 Ca 0.04 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1xyc h ALA 767 Cb 0.72 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1xyc h ALA 767 CO 0.05 0.50 0.06 0.35 0.00 0.00 0.00 179.25 180.21 1xyc h PHE 768 N 1.01 0.26 -0.03 0.00 3.57 -1.01 -1.48 116.94 119.26 1xyc h PHE 768 Ca 0.25 -0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.63 1xyc h PHE 768 Cb 0.11 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.76 1xyc h PHE 768 CO 0.01 0.34 -0.44 -1.49 -2.23 0.00 0.00 178.31 174.50 1xyc h TRP 769 N 0.10 0.08 0.03 0.41 4.06 -1.18 -1.56 115.95 117.88 1xyc h TRP 769 Ca 0.05 -0.02 -0.00 0.00 2.06 0.00 0.00 58.89 60.98 1xyc h TRP 769 Cb 0.20 -0.02 0.00 0.00 -1.00 0.00 0.00 29.16 28.35 1xyc h TRP 769 CO -0.01 0.50 -0.01 1.25 -3.56 0.00 0.00 178.44 176.61 1xyc h LEU 770 N 0.05 -0.03 -0.65 -4.49 5.85 -0.83 -1.37 115.31 113.84 1xyc h LEU 770 Ca 0.00 -0.21 -0.04 0.00 0.84 0.00 0.00 57.88 58.47 1xyc h LEU 770 Cb 0.80 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.81 1xyc h LEU 770 CO 0.06 0.19 0.26 0.58 -0.34 0.00 0.00 178.44 179.19 1xyc h VAL 771 N -0.26 1.24 -0.42 1.05 2.07 -1.18 0.60 116.25 119.35 1xyc h VAL 771 Ca -0.00 -0.75 0.07 0.00 0.82 0.00 0.00 66.70 66.84 1xyc h VAL 771 Cb 0.24 0.51 -0.06 0.00 -1.52 0.00 0.00 31.29 30.46 1xyc h VAL 771 CO 0.01 0.30 0.04 -0.78 0.02 0.00 0.00 177.57 177.16 1xyc h ASP 772 N 0.92 -0.08 -0.39 0.57 3.58 -1.26 0.43 116.42 120.18 1xyc h ASP 772 Ca 0.22 0.08 -0.05 0.00 0.42 0.00 0.00 57.03 57.70 1xyc h ASP 772 Cb 0.21 0.13 -0.02 0.00 1.72 0.00 0.00 39.33 41.38 1xyc h ASP 772 CO -0.02 -0.01 0.05 0.25 -2.88 0.00 0.00 179.24 176.64 1xyc h LEU 773 N 0.16 0.63 -0.67 2.28 6.46 -0.48 -0.66 115.31 123.04 1xyc h LEU 773 Ca 0.20 -0.27 -0.08 0.00 -0.12 0.00 0.00 57.88 57.61 1xyc h LEU 773 Cb 0.27 -0.17 -0.03 0.00 -0.73 0.00 0.00 40.66 40.01 1xyc h LEU 773 CO -0.30 0.74 0.09 -0.07 -0.62 0.00 0.00 178.44 178.28 1xyc h LEU 774 N 0.50 1.08 -0.07 2.25 3.38 -0.30 -0.48 115.31 121.67 1xyc h LEU 774 Ca 0.12 -0.27 -0.17 0.00 0.09 0.00 0.00 57.88 57.65 1xyc h LEU 774 Cb 0.38 -0.29 0.01 0.00 0.09 0.00 0.00 40.66 40.86 1xyc h LEU 774 CO 0.01 1.07 -0.63 -0.33 0.09 0.00 0.00 178.44 178.65 1xyc h GLU 775 N 1.04 0.55 0.00 1.13 4.39 -0.89 -1.75 114.58 119.04 1xyc h GLU 775 Ca 0.20 -0.50 -0.10 0.00 0.34 0.00 0.00 59.36 59.30 1xyc h GLU 775 Cb 0.46 0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.22 1xyc h GLU 775 CO 0.02 1.13 -0.49 0.66 -1.16 0.00 0.00 179.01 179.16 1xyc h SER 776 N 0.14 0.00 1.11 1.42 4.64 -1.05 -2.93 113.55 116.89 1xyc h SER 776 Ca -0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 1xyc h SER 776 Cb 1.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 1xyc h SER 776 CO 0.13 0.49 0.00 0.00 -0.87 0.00 0.00 176.83 176.58 1xyc n ALA 777 N -2.29 2.19 -2.63 5.18 0.00 -0.20 -4.92 120.51 117.84 1xyc n ALA 777 Ca 0.00 -0.05 -0.09 0.00 0.00 0.00 0.00 53.44 53.30 1xyc n ALA 777 Cb 0.62 -1.44 0.02 0.00 0.00 0.00 0.00 19.45 18.65 1xyc n ALA 777 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xyc n GLY 778 N 1.15 0.24 3.69 0.00 0.00 -0.87 -4.98 105.19 104.43 1xyc n GLY 778 Ca 0.06 -0.40 -0.44 0.00 0.00 0.00 0.00 46.02 45.23 1xyc n GLY 778 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1xyc n TYR 779 N -3.68 2.48 0.32 1.61 9.36 -0.71 -4.91 117.16 121.63 1xyc n TYR 779 Ca -0.03 0.14 0.05 0.00 3.32 0.00 0.00 57.90 61.38 1xyc n TYR 779 Cb 0.54 -2.61 0.07 0.00 -0.63 0.00 0.00 39.34 36.71 1xyc n TYR 779 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47 1xyc n GLU 780 N 3.91 1.02 -1.97 2.98 1.02 -1.26 -4.93 120.64 121.41 1xyc n GLU 780 Ca 0.17 -1.34 -0.30 0.00 -0.02 0.00 0.00 57.16 55.67 1xyc n GLU 780 Cb 0.32 -1.22 0.19 0.00 -0.02 0.00 0.00 31.44 30.71 1xyc n GLU 780 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1xyc s GLY 781 N -0.93 1.80 0.45 0.62 0.00 -1.26 -5.01 107.32 102.99 1xyc s GLY 781 Ca 0.15 -1.29 -0.25 0.00 0.00 0.00 0.00 44.72 43.33 1xyc s GLY 781 CO 0.14 -0.50 1.36 -1.05 0.00 0.00 0.00 173.10 173.04 1xyc n PRO 782 N -3.76 2.06 -3.29 2.90 -0.02 -1.26 -4.95 135.00 126.67 1xyc n PRO 782 Ca 0.16 0.74 -0.47 0.00 -2.02 0.00 0.00 63.50 61.91 1xyc n PRO 782 Cb 0.59 -2.52 -0.02 0.00 -0.02 0.00 0.00 33.50 31.53 1xyc n PRO 782 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1xyc s ARG 783 N -2.39 3.66 -0.00 -0.52 3.00 -0.53 -4.34 118.95 117.83 1xyc s ARG 783 Ca 0.62 -2.46 -0.20 0.00 0.00 0.00 0.00 55.73 53.69 1xyc s ARG 783 Cb -0.47 -4.49 -0.05 0.00 0.00 0.00 0.00 34.95 29.94 1xyc s ARG 783 CO 0.57 -1.33 0.59 -1.58 0.00 0.00 0.00 175.30 173.54 1xyc s HIS 784 N 0.29 3.69 -0.31 -0.53 2.46 -1.23 -1.48 115.29 118.17 1xyc s HIS 784 Ca 0.21 1.19 -0.08 0.00 0.47 0.00 0.00 55.06 56.85 1xyc s HIS 784 Cb -0.09 -2.60 0.01 0.00 -0.13 0.00 0.00 32.58 29.76 1xyc s HIS 784 CO -0.09 0.36 0.11 -0.06 -2.47 0.00 0.00 174.74 172.60 1xyc s PHE 785 N -0.22 3.17 -0.60 3.88 0.08 0.20 -0.53 117.98 123.95 1xyc s PHE 785 Ca 0.31 -0.89 -0.01 0.00 0.12 0.00 0.00 56.93 56.46 1xyc s PHE 785 Cb -0.18 -2.30 0.15 0.00 -0.57 0.00 0.00 43.02 40.12 1xyc s PHE 785 CO 0.17 -0.56 0.40 0.34 -0.10 0.00 0.00 175.22 175.47 1xyc s ASP 786 N 1.53 4.97 0.22 1.36 2.15 -1.08 -3.53 116.67 122.28 1xyc s ASP 786 Ca 0.03 -2.95 0.01 0.00 0.43 0.00 0.00 52.55 50.07 1xyc s ASP 786 Cb -0.17 -1.79 -0.05 0.00 -0.30 0.00 0.00 42.92 40.61 1xyc s ASP 786 CO 0.04 -0.32 0.08 0.72 -0.17 0.00 0.00 175.17 175.53 1xyc s PHE 787 N -0.20 1.34 -0.13 -5.34 -0.71 -1.26 -4.63 117.98 107.05 1xyc s PHE 787 Ca 0.17 -1.20 -0.00 0.00 -1.04 0.00 0.00 56.93 54.86 1xyc s PHE 787 Cb -0.22 -0.75 0.03 0.00 -1.21 0.00 0.00 43.02 40.87 1xyc s PHE 787 CO -0.03 -0.40 -0.08 0.15 -1.34 0.00 0.00 175.22 173.53 1xyc s LYS 788 N -4.04 1.60 0.11 1.99 1.02 0.15 -4.38 119.74 116.18 1xyc s LYS 788 Ca 0.35 -0.35 -0.33 0.00 0.02 0.00 0.00 55.97 55.66 1xyc s LYS 788 Cb 0.07 -1.74 -0.12 0.00 -0.52 0.00 0.00 37.83 35.52 1xyc s LYS 788 CO 0.11 -0.30 1.72 -2.30 -0.92 0.00 0.00 175.35 173.66 1xyc n PRO 789 N 4.91 2.41 -1.45 -1.68 -0.02 -1.26 -4.62 135.00 133.29 1xyc n PRO 789 Ca -0.13 0.87 -0.40 0.00 -2.02 0.00 0.00 63.50 61.83 1xyc n PRO 789 Cb 0.49 -2.70 0.02 0.00 -0.02 0.00 0.00 33.50 31.30 1xyc n PRO 789 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1xyc n PRO 790 N 4.70 0.54 0.00 0.52 -0.02 -1.26 -4.85 135.00 134.63 1xyc n PRO 790 Ca 0.18 0.20 0.10 0.00 -2.02 0.00 0.00 63.50 61.97 1xyc n PRO 790 Cb 0.32 -1.58 0.56 0.00 -0.02 0.00 0.00 33.50 32.78 1xyc n PRO 790 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 1xyc n ARG 791 N 0.35 0.46 0.28 -0.52 1.85 -1.26 -2.22 116.66 115.60 1xyc n ARG 791 Ca 0.11 0.05 0.17 0.00 -1.00 0.00 0.00 57.85 57.19 1xyc n ARG 791 Cb 0.44 -1.50 0.72 0.00 -1.05 0.00 0.00 32.46 31.07 1xyc n ARG 791 CO 0.00 0.00 0.00 1.79 -0.01 0.00 0.00 177.63 179.41 1xyc h THR 792 N 0.00 0.03 -3.25 8.89 1.35 -1.97 -3.45 112.91 114.50 1xyc h THR 792 Ca 0.00 -0.49 -0.57 0.00 -0.55 0.00 0.00 66.41 64.80 1xyc h THR 792 Cb 0.10 1.48 -0.04 0.00 -1.73 0.00 0.00 68.15 67.96 1xyc h THR 792 CO 0.00 0.01 -0.16 -1.61 -0.25 0.00 0.00 175.52 173.51 1xyc s GLU 793 N -3.71 3.86 0.12 4.72 0.41 -0.94 -5.11 118.70 118.04 1xyc s GLU 793 Ca 0.01 0.32 -0.01 0.00 -0.41 0.00 0.00 54.97 54.87 1xyc s GLU 793 Cb 0.09 -2.91 0.03 0.00 -1.78 0.00 0.00 34.13 29.56 1xyc s GLU 793 CO 0.54 0.49 0.17 -0.40 -0.49 0.00 0.00 175.26 175.56 1xyc n ASP 794 N 0.68 0.13 0.13 -0.19 5.68 -1.26 -4.83 116.55 116.89 1xyc n ASP 794 Ca -0.05 -1.13 0.04 0.00 -0.50 0.00 0.00 54.79 53.14 1xyc n ASP 794 Cb 0.52 -0.12 0.46 0.00 -1.14 0.00 0.00 41.12 40.85 1xyc n ASP 794 CO 0.00 0.00 0.00 -0.29 -1.33 0.00 0.00 177.20 175.58 1xyc h ILE 795 N -0.69 1.12 -0.35 2.12 6.09 -1.99 -0.95 117.51 122.86 1xyc h ILE 795 Ca -0.06 -0.45 -0.13 0.00 -1.37 0.00 0.00 64.86 62.86 1xyc h ILE 795 Cb 0.18 1.00 -0.01 0.00 0.47 0.00 0.00 36.82 38.46 1xyc h ILE 795 CO 0.05 0.15 -0.32 0.44 -3.07 0.00 0.00 178.15 175.40 1xyc h ASP 796 N 0.24 0.80 0.26 2.19 3.32 -2.00 -2.74 116.42 118.48 1xyc h ASP 796 Ca 0.06 -0.33 -0.07 0.00 0.02 0.00 0.00 57.03 56.71 1xyc h ASP 796 Cb 0.18 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 1xyc h ASP 796 CO 0.00 1.05 -0.30 1.23 -1.72 0.00 0.00 179.24 179.51 1xyc h GLY 797 N 0.94 0.08 0.79 2.75 0.00 -1.63 -1.97 103.07 104.03 1xyc h GLY 797 Ca 0.07 -0.06 0.01 0.00 0.00 0.00 0.00 47.33 47.35 1xyc h GLY 797 CO 0.07 0.05 -0.14 -2.08 0.00 0.00 0.00 176.54 174.45 1xyc h VAL 798 N 0.07 0.69 0.00 4.60 2.07 -0.93 -0.98 116.25 121.76 1xyc h VAL 798 Ca 0.01 0.00 -0.13 0.00 0.82 0.00 0.00 66.70 67.39 1xyc h VAL 798 Cb 0.57 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 1xyc h VAL 798 CO 0.04 0.00 -0.64 -0.50 0.02 0.00 0.00 177.57 176.49 1xyc h TRP 799 N -0.28 0.00 -0.83 1.57 -0.00 -1.33 -2.25 115.95 112.83 1xyc h TRP 799 Ca 0.02 0.00 -0.04 0.00 -0.00 0.00 0.00 58.89 58.87 1xyc h TRP 799 Cb 0.28 0.00 -0.04 0.00 -0.00 0.00 0.00 29.16 29.41 1xyc h TRP 799 CO -0.14 0.64 0.38 0.00 -0.00 0.00 0.00 178.44 179.32 1xyc h ALA 800 N 1.36 1.10 -0.43 1.49 0.00 -1.23 -0.42 119.26 121.12 1xyc h ALA 800 Ca -0.01 -0.17 -0.14 0.00 0.00 0.00 0.00 54.91 54.59 1xyc h ALA 800 Cb 1.17 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1xyc h ALA 800 CO 0.08 0.67 -0.29 1.03 0.00 0.00 0.00 179.25 180.74 1xyc h SER 801 N 1.19 0.98 -0.42 0.00 0.87 -0.90 -0.62 113.55 114.65 1xyc h SER 801 Ca 0.28 -0.40 -0.06 0.00 -1.23 0.00 0.00 61.79 60.38 1xyc h SER 801 Cb 0.15 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 61.82 1xyc h SER 801 CO -0.03 1.19 0.02 0.00 -0.53 0.00 0.00 176.83 177.48 1xyc h ALA 802 N 0.87 0.56 -0.33 6.23 0.00 -1.33 -2.18 119.26 123.08 1xyc h ALA 802 Ca 0.09 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.67 1xyc h ALA 802 Cb 0.86 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 1xyc h ALA 802 CO 0.08 0.32 -0.12 0.00 0.00 0.00 0.00 179.25 179.53 1xyc h ALA 803 N 0.91 1.18 -0.02 0.00 0.00 -0.93 -2.62 119.26 117.78 1xyc h ALA 803 Ca 0.12 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 54.67 1xyc h ALA 803 Cb 0.45 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1xyc h ALA 803 CO 0.02 0.52 -0.38 0.78 0.00 0.00 0.00 179.25 180.19 1xyc h GLY 804 N 0.95 0.05 0.54 0.00 0.00 -0.78 -1.85 103.07 101.97 1xyc h GLY 804 Ca 0.09 -0.04 0.03 0.00 0.00 0.00 0.00 47.33 47.41 1xyc h GLY 804 CO 0.03 0.04 -0.17 0.00 0.00 0.00 0.00 176.54 176.44 1xyc h MET 806 N -0.26 0.55 -0.66 0.00 2.86 -1.50 -2.87 114.93 113.04 1xyc h MET 806 Ca 0.07 -0.24 0.06 0.00 -2.06 0.00 0.00 59.70 57.53 1xyc h MET 806 Cb 0.35 -0.02 -0.06 0.00 0.06 0.00 0.00 31.60 31.94 1xyc h MET 806 CO -0.19 0.80 0.36 -0.09 1.06 0.00 0.00 176.91 178.85 1xyc h ARG 807 N 0.28 0.64 -0.23 1.72 2.43 -1.28 -1.36 114.38 116.58 1xyc h ARG 807 Ca 0.06 -0.04 -0.12 0.00 -0.81 0.00 0.00 59.98 59.07 1xyc h ARG 807 Cb 0.64 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.03 1xyc h ARG 807 CO 0.04 0.42 -0.36 -0.91 -1.51 0.00 0.00 179.97 177.65 1xyc h ASN 808 N 0.66 0.54 -0.39 -3.80 -0.26 -1.16 -0.62 115.58 110.55 1xyc h ASN 808 Ca 0.30 -0.22 -0.04 0.00 -0.56 0.00 0.00 56.30 55.79 1xyc h ASN 808 Cb 0.21 -0.15 -0.02 0.00 -1.06 0.00 0.00 38.32 37.31 1xyc h ASN 808 CO -0.19 0.85 0.10 0.22 -1.06 0.00 0.00 177.43 177.35 1xyc h TYR 809 N 0.43 0.65 -0.15 1.19 5.03 -1.22 -1.44 116.97 121.46 1xyc h TYR 809 Ca 0.05 -0.07 -0.09 0.00 2.58 0.00 0.00 58.73 61.19 1xyc h TYR 809 Cb 0.83 -0.19 -0.01 0.00 1.55 0.00 0.00 36.73 38.91 1xyc h TYR 809 CO 0.03 0.62 -0.32 -0.07 -1.32 0.00 0.00 178.16 177.10 1xyc h LEU 810 N 0.49 0.29 -0.23 2.82 3.38 -0.81 0.32 115.31 121.58 1xyc h LEU 810 Ca 0.12 -0.11 -0.10 0.00 0.09 0.00 0.00 57.88 57.89 1xyc h LEU 810 Cb 0.29 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 1xyc h LEU 810 CO -0.00 0.61 -0.26 0.40 0.09 0.00 0.00 178.44 179.28 1xyc h ILE 811 N 0.25 1.32 -0.02 1.22 2.04 -0.99 -2.68 117.51 118.65 1xyc h ILE 811 Ca 0.03 -1.44 -0.09 0.00 1.00 0.00 0.00 64.86 64.35 1xyc h ILE 811 Cb 0.70 1.73 -0.01 0.00 -0.74 0.00 0.00 36.82 38.50 1xyc h ILE 811 CO 0.05 0.45 -0.43 -0.07 0.00 0.00 0.00 178.15 178.16 1xyc h LEU 812 N 0.28 0.05 -0.47 1.44 3.38 -1.00 -1.97 115.31 117.03 1xyc h LEU 812 Ca 0.03 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 1xyc h LEU 812 Cb 0.83 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.54 1xyc h LEU 812 CO 0.06 0.48 0.29 0.50 0.09 0.00 0.00 178.44 179.85 1xyc h LYS 813 N 0.04 0.63 -0.64 1.13 3.64 -0.84 -1.08 116.57 119.44 1xyc h LYS 813 Ca 0.00 -0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 59.27 1xyc h LYS 813 Cb 0.77 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.43 1xyc h LYS 813 CO 0.06 0.46 0.18 1.49 -2.27 0.00 0.00 179.45 179.36 1xyc h GLU 814 N 0.62 1.02 -0.06 1.90 4.81 -1.12 -1.76 114.58 119.99 1xyc h GLU 814 Ca 0.17 -0.23 -0.15 0.00 -0.13 0.00 0.00 59.36 59.02 1xyc h GLU 814 Cb -0.02 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.21 1xyc h GLU 814 CO -0.03 0.91 -0.61 0.00 -0.73 0.00 0.00 179.01 178.54 1xyc h ARG 815 N 0.94 0.22 -0.29 1.92 2.47 -1.12 -1.15 114.38 117.38 1xyc h ARG 815 Ca 0.20 -0.15 -0.09 0.00 -1.26 0.00 0.00 59.98 58.69 1xyc h ARG 815 Cb 0.33 0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.67 1xyc h ARG 815 CO -0.00 0.76 -0.15 0.00 0.56 0.00 0.00 179.97 181.14 1xyc h ALA 816 N 1.20 0.40 -0.52 0.04 0.00 -1.13 -1.15 119.26 118.09 1xyc h ALA 816 Ca -0.01 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.54 1xyc h ALA 816 Cb 1.12 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 1xyc h ALA 816 CO 0.09 0.30 0.21 0.00 0.00 0.00 0.00 179.25 179.85 1xyc h ALA 817 N 0.74 0.68 -0.63 0.00 0.00 -1.29 -2.07 119.26 116.69 1xyc h ALA 817 Ca 0.06 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 1xyc h ALA 817 Cb 0.68 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 1xyc h ALA 817 CO 0.05 0.29 0.20 0.00 0.00 0.00 0.00 179.25 179.79 1xyc h ALA 818 N 1.05 1.16 0.53 0.00 0.00 -1.13 -1.58 119.26 119.29 1xyc h ALA 818 Ca 0.17 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1xyc h ALA 818 Cb 0.20 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 17.75 1xyc h ALA 818 CO -0.01 0.58 -0.26 0.35 0.00 0.00 0.00 179.25 179.92 1xyc h PHE 819 N 0.93 -0.66 0.00 0.00 3.57 -0.87 -2.28 116.94 117.62 1xyc h PHE 819 Ca 0.21 -0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.65 1xyc h PHE 819 Cb 0.26 0.22 -0.01 0.00 2.79 0.00 0.00 35.95 39.21 1xyc h PHE 819 CO 0.02 -0.40 -0.20 0.00 -2.23 0.00 0.00 178.31 175.50 1xyc h ARG 820 N -0.74 0.00 0.00 1.11 2.47 -1.35 -2.56 114.38 113.30 1xyc h ARG 820 Ca -0.07 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.65 1xyc h ARG 820 Cb 0.56 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.88 1xyc h ARG 820 CO 0.12 0.20 -0.06 0.00 0.56 0.00 0.00 179.97 180.79 1xyc n ALA 821 N -2.41 2.38 -2.41 0.04 0.00 -0.60 -4.73 120.51 112.78 1xyc n ALA 821 Ca -0.02 -0.07 -0.42 0.00 0.00 0.00 0.00 53.44 52.93 1xyc n ALA 821 Cb 0.28 -1.44 -0.03 0.00 0.00 0.00 0.00 19.45 18.27 1xyc n ALA 821 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1xyc s ASP 822 N -4.10 7.02 0.41 0.00 -1.08 -0.88 -4.91 116.67 113.13 1xyc s ASP 822 Ca 0.11 1.91 0.07 0.00 -0.52 0.00 0.00 52.55 54.12 1xyc s ASP 822 Cb 0.14 -2.56 0.86 0.00 -1.46 0.00 0.00 42.92 39.89 1xyc s ASP 822 CO 0.59 -0.58 2.05 -0.65 0.52 0.00 0.00 175.17 177.10 1xyc h PRO 823 N 7.37 0.51 -0.07 4.34 0.11 -1.89 -0.15 132.00 142.22 1xyc h PRO 823 Ca -0.36 -0.04 -0.10 0.00 0.11 0.00 0.00 66.00 65.60 1xyc h PRO 823 Cb 1.18 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 1xyc h PRO 823 CO 0.87 0.36 -0.43 1.49 -0.21 0.00 0.00 178.00 180.07 1xyc h GLU 824 N 0.52 0.16 -0.03 1.05 4.81 -1.95 -0.41 114.58 118.73 1xyc h GLU 824 Ca 0.14 -0.08 -0.20 0.00 -0.13 0.00 0.00 59.36 59.09 1xyc h GLU 824 Cb -0.02 -0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.37 1xyc h GLU 824 CO -0.03 0.57 -0.78 0.28 -0.73 0.00 0.00 179.01 178.32 1xyc h VAL 825 N 0.13 1.35 -0.79 0.32 2.07 -1.51 -1.40 116.25 116.42 1xyc h VAL 825 Ca 0.01 -2.10 0.02 0.00 0.82 0.00 0.00 66.70 65.45 1xyc h VAL 825 Cb 0.82 2.39 -0.04 0.00 -1.52 0.00 0.00 31.29 32.95 1xyc h VAL 825 CO 0.06 0.63 0.52 1.56 0.02 0.00 0.00 177.57 180.37 1xyc h GLN 826 N 0.19 1.01 -0.34 1.57 4.20 -0.89 0.10 115.11 120.96 1xyc h GLN 826 Ca -0.09 -0.06 -0.12 0.00 0.06 0.00 0.00 58.65 58.44 1xyc h GLN 826 Cb 1.45 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 28.99 1xyc h GLN 826 CO 0.15 0.67 -0.25 1.49 -0.67 0.00 0.00 178.83 180.22 1xyc h GLU 827 N 1.04 0.76 -0.64 1.46 4.81 -1.09 -2.74 114.58 118.18 1xyc h GLU 827 Ca 0.30 -0.37 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 1xyc h GLU 827 Cb -0.08 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.27 1xyc h GLU 827 CO -0.07 0.99 0.40 0.00 -0.73 0.00 0.00 179.01 179.60 1xyc h ALA 828 N 0.75 1.51 -0.52 2.92 0.00 -0.03 -1.90 119.26 121.99 1xyc h ALA 828 Ca 0.06 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 1xyc h ALA 828 Cb 0.81 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1xyc h ALA 828 CO 0.07 0.44 -0.15 -0.07 0.00 0.00 0.00 179.25 179.54 1xyc h LEU 829 N 0.87 1.02 -0.90 0.00 3.38 -0.70 -1.65 115.31 117.33 1xyc h LEU 829 Ca 0.23 -0.37 -0.06 0.00 0.09 0.00 0.00 57.88 57.77 1xyc h LEU 829 Cb -0.07 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.38 1xyc h LEU 829 CO -0.05 1.15 0.09 0.03 0.09 0.00 0.00 178.44 179.76 1xyc h ARG 830 N 0.88 0.91 -0.21 1.13 3.08 -1.29 -1.55 114.38 117.32 1xyc h ARG 830 Ca 0.13 -0.22 -0.04 0.00 0.07 0.00 0.00 59.98 59.92 1xyc h ARG 830 Cb 0.72 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.64 1xyc h ARG 830 CO 0.06 0.84 -0.05 0.00 -1.07 0.00 0.00 179.97 179.75 1xyc h ALA 831 N 1.24 1.53 -0.36 0.04 0.00 -1.10 -1.55 119.26 119.05 1xyc h ALA 831 Ca 0.18 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1xyc h ALA 831 Cb 0.38 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1xyc h ALA 831 CO 0.01 0.34 0.00 0.43 0.00 0.00 0.00 179.25 180.03 1xyc n SER 832 N -4.31 2.60 -2.78 0.00 7.64 -0.64 -4.78 113.62 111.34 1xyc n SER 832 Ca 0.00 -1.90 -0.20 0.00 1.01 0.00 0.00 58.87 57.77 1xyc n SER 832 Cb 0.23 -0.24 0.04 0.00 -1.01 0.00 0.00 64.21 63.23 1xyc n SER 832 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1xyc n ARG 833 N 0.92 -4.64 0.26 1.43 3.00 -0.58 -4.92 116.66 112.14 1xyc n ARG 833 Ca 0.17 0.83 0.14 0.00 -0.01 0.00 0.00 57.85 58.98 1xyc n ARG 833 Cb 0.45 -5.52 0.69 0.00 0.00 0.00 0.00 32.46 28.09 1xyc n ARG 833 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.63 177.56 1xyc h LEU 834 N -1.34 0.00 -0.52 0.55 3.38 -1.55 -2.12 115.31 113.71 1xyc h LEU 834 Ca -0.49 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.40 1xyc h LEU 834 Cb 1.33 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.06 1xyc h LEU 834 CO 0.52 0.10 0.01 -2.24 0.09 0.00 0.00 178.44 176.92 1xyc h ASP 835 N 0.00 0.89 0.58 -0.43 2.03 -1.89 -3.06 116.42 114.54 1xyc h ASP 835 Ca -0.00 -0.30 -0.05 0.00 -0.73 0.00 0.00 57.03 55.95 1xyc h ASP 835 Cb 0.47 -0.24 -0.01 0.00 -0.83 0.00 0.00 39.33 38.72 1xyc h ASP 835 CO 0.01 0.98 -0.22 -0.33 -1.03 0.00 0.00 179.24 178.65 1xyc h GLU 836 N 0.78 0.00 -0.01 4.15 5.08 -1.77 -2.02 114.58 120.79 1xyc h GLU 836 Ca 0.15 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.46 1xyc h GLU 836 Cb 0.51 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 1xyc h GLU 836 CO 0.02 0.22 -0.24 1.25 -1.00 0.00 0.00 179.01 179.26 1xyc h LEU 837 N 0.00 0.02 -0.13 1.33 5.85 -1.38 -2.35 115.31 118.65 1xyc h LEU 837 Ca -0.00 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1xyc h LEU 837 Cb 0.57 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.59 1xyc h LEU 837 CO 0.03 0.26 0.00 0.00 -0.34 0.00 0.00 178.44 178.39 1xyc h ALA 838 N 1.74 1.00 -2.61 1.25 0.00 -1.38 -3.44 119.26 115.82 1xyc h ALA 838 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.39 1xyc h ALA 838 Cb 0.44 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 1xyc h ALA 838 CO 0.03 0.00 0.45 -0.65 0.00 0.00 0.00 179.25 179.08 1xyc s GLN 839 N -3.15 4.61 0.29 0.00 -0.21 -0.88 -5.02 119.66 115.29 1xyc s GLN 839 Ca 0.09 1.64 -0.30 0.00 0.02 0.00 0.00 55.36 56.82 1xyc s GLN 839 Cb 0.11 -3.32 -0.13 0.00 1.00 0.00 0.00 33.01 30.68 1xyc s GLN 839 CO 0.57 0.08 1.32 -2.30 -2.12 0.00 0.00 175.29 172.84 1xyc n PRO 840 N 2.69 2.01 -0.10 2.91 -0.02 -1.26 -4.93 135.00 136.29 1xyc n PRO 840 Ca 0.03 0.71 -0.09 0.00 -2.02 0.00 0.00 63.50 62.14 1xyc n PRO 840 Cb 0.47 -2.31 -0.01 0.00 -0.02 0.00 0.00 33.50 31.64 1xyc n PRO 840 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 1xyc h THR 841 N 2.73 1.09 -0.85 3.45 2.02 -1.94 -3.39 112.91 116.02 1xyc h THR 841 Ca -0.45 -0.16 -0.36 0.00 0.77 0.00 0.00 66.41 66.21 1xyc h THR 841 Cb 1.29 0.59 -0.25 0.00 -1.74 0.00 0.00 68.15 68.03 1xyc h THR 841 CO 0.69 0.08 -0.75 0.00 0.37 0.00 0.00 175.52 175.90 1xyc n ALA 842 N -2.19 0.24 0.22 6.16 0.00 -1.26 -4.93 120.51 118.75 1xyc n ALA 842 Ca -0.01 -2.26 0.08 0.00 0.00 0.00 0.00 53.44 51.26 1xyc n ALA 842 Cb 0.02 -1.11 0.48 0.00 0.00 0.00 0.00 19.45 18.85 1xyc n ALA 842 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xyc h ALA 843 N 3.84 1.14 0.00 0.00 0.00 -1.99 -2.48 119.26 119.77 1xyc h ALA 843 Ca -0.05 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1xyc h ALA 843 Cb 0.98 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1xyc h ALA 843 CO 0.37 0.33 0.01 0.38 0.00 0.00 0.00 179.25 180.34 1xyc h ASP 844 N 0.00 0.00 -4.77 0.00 2.03 -1.95 -3.48 116.42 108.24 1xyc h ASP 844 Ca -0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1xyc h ASP 844 Cb 0.66 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.16 1xyc h ASP 844 CO 0.03 0.00 0.00 0.61 -1.03 0.00 0.00 179.24 178.85 1xyc n GLY 845 N -1.23 0.72 0.19 7.15 0.00 -0.93 -4.39 105.19 106.70 1xyc n GLY 845 Ca -0.02 -1.87 -0.08 0.00 0.00 0.00 0.00 46.02 44.05 1xyc n GLY 845 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1xyc h VAL 846 N 0.00 1.16 -0.06 1.61 2.07 -1.94 -1.46 116.25 117.63 1xyc h VAL 846 Ca 0.00 -0.41 -0.10 0.00 0.82 0.00 0.00 66.70 67.01 1xyc h VAL 846 Cb 0.00 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 1xyc h VAL 846 CO 0.00 0.17 -0.43 1.56 0.02 0.00 0.00 177.57 178.89 1xyc h GLN 847 N 0.56 0.12 -0.19 1.57 7.50 -1.99 0.58 115.11 123.26 1xyc h GLN 847 Ca 0.15 -0.06 -0.16 0.00 0.50 0.00 0.00 58.65 59.09 1xyc h GLN 847 Cb 0.06 -0.00 -0.01 0.00 0.05 0.00 0.00 27.48 27.58 1xyc h GLN 847 CO -0.02 0.53 -0.53 0.93 -1.50 0.00 0.00 178.83 178.24 1xyc h GLU 848 N 0.10 0.56 -0.62 1.46 4.39 -1.73 -1.95 114.58 116.80 1xyc h GLU 848 Ca 0.01 -0.35 -0.09 0.00 0.34 0.00 0.00 59.36 59.27 1xyc h GLU 848 Cb 0.80 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.46 1xyc h GLU 848 CO 0.06 0.95 0.03 1.25 -1.16 0.00 0.00 179.01 180.15 1xyc h LEU 849 N 0.44 1.03 -1.04 1.33 5.85 -0.83 -1.94 115.31 120.15 1xyc h LEU 849 Ca 0.01 -0.28 -0.09 0.00 0.84 0.00 0.00 57.88 58.36 1xyc h LEU 849 Cb 1.07 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.81 1xyc h LEU 849 CO 0.10 1.07 -0.35 -0.07 -0.34 0.00 0.00 178.44 178.85 1xyc h LEU 850 N 0.98 0.25 -0.05 2.25 3.38 -0.79 -2.44 115.31 118.89 1xyc h LEU 850 Ca 0.18 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1xyc h LEU 850 Cb 0.52 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1xyc h LEU 850 CO 0.02 0.59 -0.18 0.00 0.09 0.00 0.00 178.44 178.96 1xyc n ALA 851 N -2.48 2.82 -2.58 1.53 0.00 -0.74 -4.78 120.51 114.28 1xyc n ALA 851 Ca -0.01 -0.22 -0.42 0.00 0.00 0.00 0.00 53.44 52.79 1xyc n ALA 851 Cb 0.43 -1.33 -0.03 0.00 0.00 0.00 0.00 19.45 18.53 1xyc n ALA 851 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1xyc s ASP 852 N -2.87 6.29 0.55 0.00 2.15 -0.74 -4.88 116.67 117.18 1xyc s ASP 852 Ca 0.17 -0.24 0.32 0.00 0.43 0.00 0.00 52.55 53.23 1xyc s ASP 852 Cb 0.19 -2.55 1.59 0.00 -0.30 0.00 0.00 42.92 41.86 1xyc s ASP 852 CO 0.57 -1.65 2.09 0.03 -0.17 0.00 0.00 175.17 176.05 1xyc h ARG 853 N 9.77 0.00 0.00 4.34 3.08 -1.86 -2.31 114.38 127.40 1xyc h ARG 853 Ca -0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.78 1xyc h ARG 853 Cb 1.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.10 1xyc h ARG 853 CO 1.23 0.07 0.00 0.25 -1.07 0.00 0.00 179.97 180.45 1xyc n THR 854 N -3.36 0.18 0.87 2.04 -2.24 -1.26 -0.58 114.28 109.94 1xyc n THR 854 Ca -0.01 0.05 0.12 0.00 -2.27 0.00 0.00 64.05 61.94 1xyc n THR 854 Cb 0.24 -0.59 0.30 0.00 -2.10 0.00 0.00 70.33 68.17 1xyc n THR 854 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xyc n ALA 855 N -1.48 3.13 -0.41 6.98 0.00 -0.87 -3.71 120.51 124.14 1xyc n ALA 855 Ca 0.07 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.24 1xyc n ALA 855 Cb 0.30 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.55 1xyc n ALA 855 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1xyc n PHE 856 N -1.69 -0.87 0.21 0.00 7.35 -1.15 -4.85 117.46 116.46 1xyc n PHE 856 Ca 0.05 0.00 0.05 0.00 -0.76 0.00 0.00 57.45 56.79 1xyc n PHE 856 Cb 0.37 0.29 0.47 0.00 0.35 0.00 0.00 39.48 40.96 1xyc n PHE 856 CO 0.00 0.00 0.00 1.05 -0.76 0.00 0.00 176.76 177.05 1xyc h GLU 857 N 0.00 0.00 -0.27 -4.13 9.09 -1.80 -2.92 114.58 114.55 1xyc h GLU 857 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1xyc h GLU 857 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 1xyc h GLU 857 CO 0.00 0.24 0.00 -0.25 0.05 0.00 0.00 179.01 179.05 1xyc n ASP 858 N -4.20 3.40 -4.70 3.06 8.00 0.25 -4.99 116.55 117.38 1xyc n ASP 858 Ca -0.02 -2.61 -0.42 0.00 0.71 0.00 0.00 54.79 52.45 1xyc n ASP 858 Cb 0.30 -0.40 -0.03 0.00 -0.02 0.00 0.00 41.12 40.97 1xyc n ASP 858 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 1xyc s PHE 859 N -2.09 3.38 -0.62 1.24 5.36 -1.10 -4.82 117.98 119.32 1xyc s PHE 859 Ca 0.33 1.35 -0.20 0.00 -0.96 0.00 0.00 56.93 57.44 1xyc s PHE 859 Cb 0.24 -3.36 0.09 0.00 -0.34 0.00 0.00 43.02 39.66 1xyc s PHE 859 CO 0.11 -1.03 0.81 0.34 -1.46 0.00 0.00 175.22 173.99 1xyc s ASP 860 N 1.23 6.18 0.24 6.13 -1.08 -1.26 -4.85 116.67 123.26 1xyc s ASP 860 Ca 0.56 -1.27 0.02 0.00 -0.52 0.00 0.00 52.55 51.34 1xyc s ASP 860 Cb -0.25 -2.35 0.28 0.00 -1.46 0.00 0.00 42.92 39.14 1xyc s ASP 860 CO 0.25 -1.25 1.60 1.62 0.52 0.00 0.00 175.17 177.92 1xyc h VAL 861 N 5.94 1.33 0.00 1.11 3.04 -1.96 -2.17 116.25 123.54 1xyc h VAL 861 Ca -0.29 -1.70 -0.17 0.00 -1.01 0.00 0.00 66.70 63.53 1xyc h VAL 861 Cb 1.08 1.75 -0.03 0.00 -2.01 0.00 0.00 31.29 32.09 1xyc h VAL 861 CO 1.13 0.52 -0.90 0.44 -1.01 0.00 0.00 177.57 177.75 1xyc h ASP 862 N 0.30 0.00 -0.31 3.17 3.32 -1.98 -0.98 116.42 119.94 1xyc h ASP 862 Ca 0.02 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.96 1xyc h ASP 862 Cb 0.96 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.51 1xyc h ASP 862 CO 0.08 0.78 -0.20 0.00 -1.72 0.00 0.00 179.24 178.18 1xyc h ALA 863 N 1.22 0.44 -0.42 3.45 0.00 -1.93 -2.57 119.26 119.45 1xyc h ALA 863 Ca -0.04 -0.36 -0.11 0.00 0.00 0.00 0.00 54.91 54.40 1xyc h ALA 863 Cb 1.63 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.30 1xyc h ALA 863 CO 0.10 0.39 -0.19 0.00 0.00 0.00 0.00 179.25 179.54 1xyc h ALA 864 N 0.75 0.88 0.00 0.00 0.00 -1.36 -2.96 119.26 116.57 1xyc h ALA 864 Ca 0.06 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 1xyc h ALA 864 Cb 0.74 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 1xyc h ALA 864 CO 0.06 0.63 -0.10 0.00 0.00 0.00 0.00 179.25 179.84 1xyc h ALA 865 N 1.07 1.76 0.00 0.00 0.00 -1.12 -2.07 119.26 118.91 1xyc h ALA 865 Ca 0.11 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1xyc h ALA 865 Cb 0.70 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1xyc h ALA 865 CO 0.05 0.12 -0.13 0.00 0.00 0.00 0.00 179.25 179.29 1xyc n ALA 866 N -2.48 2.65 -2.49 0.00 0.00 -0.97 -4.80 120.51 112.41 1xyc n ALA 866 Ca -0.03 -0.16 -0.43 0.00 0.00 0.00 0.00 53.44 52.82 1xyc n ALA 866 Cb 0.17 -1.38 -0.02 0.00 0.00 0.00 0.00 19.45 18.22 1xyc n ALA 866 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1xyc s ARG 867 N -3.00 4.31 0.54 0.00 0.52 -0.78 -5.01 118.95 115.53 1xyc s ARG 867 Ca 0.13 1.61 -0.18 0.00 -0.52 0.00 0.00 55.73 56.77 1xyc s ARG 867 Cb 0.19 -3.64 -0.06 0.00 0.52 0.00 0.00 34.95 31.96 1xyc s ARG 867 CO 0.57 -0.55 1.05 0.20 0.02 0.00 0.00 175.30 176.60 1xyc s GLY 868 N 1.59 2.33 0.05 -3.53 0.00 -1.26 -4.97 107.32 101.54 1xyc s GLY 868 Ca 0.54 0.51 0.26 0.00 0.00 0.00 0.00 44.72 46.03 1xyc s GLY 868 CO 0.17 0.83 1.54 1.03 0.00 0.00 0.00 173.10 176.67 1xyc n MET 869 N -1.49 0.10 -2.50 2.90 0.00 -1.26 -4.94 117.12 109.93 1xyc n MET 869 Ca 0.09 0.04 -0.17 0.00 0.00 0.00 0.00 57.70 57.66 1xyc n MET 869 Cb 0.53 -1.57 -0.00 0.00 0.00 0.00 0.00 33.22 32.17 1xyc n MET 869 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1xyc n ALA 870 N -1.61 -0.73 0.09 3.04 0.00 -1.26 -4.13 120.51 115.90 1xyc n ALA 870 Ca 0.05 0.14 -0.05 0.00 0.00 0.00 0.00 53.44 53.58 1xyc n ALA 870 Cb 0.37 -2.03 -0.02 0.00 0.00 0.00 0.00 19.45 17.77 1xyc n ALA 870 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 1xyc h PHE 871 N -0.13 0.01 -0.07 0.00 0.04 -1.95 -3.05 116.94 111.78 1xyc h PHE 871 Ca -0.41 -0.01 -0.18 0.00 2.80 0.00 0.00 57.97 60.18 1xyc h PHE 871 Cb 1.30 -0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.44 1xyc h PHE 871 CO 0.63 0.87 -0.73 0.93 -0.60 0.00 0.00 178.31 179.40 1xyc h GLU 872 N 0.00 0.37 -0.01 1.51 4.39 -1.99 -1.48 114.58 117.37 1xyc h GLU 872 Ca -0.01 -0.30 -0.00 0.00 0.34 0.00 0.00 59.36 59.39 1xyc h GLU 872 Cb 1.53 0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 30.24 1xyc h GLU 872 CO 0.11 0.95 0.00 -0.09 -1.16 0.00 0.00 179.01 178.83 1xyc h ARG 873 N 0.25 0.02 -0.62 2.33 2.43 -1.98 -1.36 114.38 115.45 1xyc h ARG 873 Ca -0.03 -0.00 0.10 0.00 -0.81 0.00 0.00 59.98 59.24 1xyc h ARG 873 Cb 1.30 -0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 30.77 1xyc h ARG 873 CO 0.12 0.19 0.22 1.25 -1.51 0.00 0.00 179.97 180.24 1xyc h LEU 874 N -0.16 0.19 -1.00 3.80 5.85 -1.53 -1.31 115.31 121.15 1xyc h LEU 874 Ca 0.00 0.09 -0.09 0.00 0.84 0.00 0.00 57.88 58.72 1xyc h LEU 874 Cb 0.18 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 1xyc h LEU 874 CO -0.00 0.11 -0.43 -0.78 -0.34 0.00 0.00 178.44 176.99 1xyc h ASP 875 N 0.38 0.00 0.87 1.25 3.58 -1.03 -2.36 116.42 119.11 1xyc h ASP 875 Ca 0.32 0.00 -0.19 0.00 0.42 0.00 0.00 57.03 57.58 1xyc h ASP 875 Cb 0.42 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.44 1xyc h ASP 875 CO -0.33 0.43 -0.90 -0.61 -2.88 0.00 0.00 179.24 174.95 1xyc h GLN 876 N 0.00 0.02 -0.66 0.28 5.75 -0.79 -0.25 115.11 119.46 1xyc h GLN 876 Ca -0.00 -0.02 -0.03 0.00 -0.15 0.00 0.00 58.65 58.44 1xyc h GLN 876 Cb 0.88 0.01 -0.03 0.00 1.07 0.00 0.00 27.48 29.41 1xyc h GLN 876 CO 0.06 0.90 0.28 -0.07 -2.65 0.00 0.00 178.83 177.35 1xyc h LEU 877 N 0.01 0.88 -0.38 -2.39 3.38 -0.93 0.40 115.31 116.28 1xyc h LEU 877 Ca -0.01 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 57.79 1xyc h LEU 877 Cb 1.58 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 42.09 1xyc h LEU 877 CO 0.12 0.78 0.02 0.00 0.09 0.00 0.00 178.44 179.45 1xyc h ALA 878 N 1.36 0.51 -0.26 1.53 0.00 -1.19 -0.53 119.26 120.67 1xyc h ALA 878 Ca 0.23 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1xyc h ALA 878 Cb 0.16 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1xyc h ALA 878 CO -0.02 0.25 0.17 1.98 0.00 0.00 0.00 179.25 181.63 1xyc h MET 879 N 0.48 0.35 -0.68 0.00 1.85 -0.79 -0.07 114.93 116.06 1xyc h MET 879 Ca 0.11 -0.02 0.02 0.00 -0.61 0.00 0.00 59.70 59.20 1xyc h MET 879 Cb 0.43 -0.08 -0.04 0.00 0.43 0.00 0.00 31.60 32.34 1xyc h MET 879 CO 0.01 0.24 0.44 -0.44 -0.40 0.00 0.00 176.91 176.76 1xyc h ASP 880 N 0.35 0.74 -0.67 1.39 3.32 -0.71 -0.91 116.42 119.92 1xyc h ASP 880 Ca 0.10 -0.01 -0.07 0.00 0.02 0.00 0.00 57.03 57.06 1xyc h ASP 880 Cb -0.03 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.32 1xyc h ASP 880 CO -0.02 0.52 0.13 0.45 -1.72 0.00 0.00 179.24 178.60 1xyc h HIS 881 N 0.87 1.16 -0.53 4.55 3.86 -0.82 0.23 115.15 124.47 1xyc h HIS 881 Ca 0.26 -0.15 -0.02 0.00 -1.16 0.00 0.00 60.37 59.30 1xyc h HIS 881 Cb -0.03 -0.32 -0.02 0.00 1.06 0.00 0.00 27.41 28.09 1xyc h HIS 881 CO -0.04 0.96 0.24 1.25 0.86 0.00 0.00 177.93 181.21 1xyc h LEU 882 N 1.02 0.72 -0.32 2.43 5.85 -0.46 -2.40 115.31 122.15 1xyc h LEU 882 Ca 0.21 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.78 1xyc h LEU 882 Cb 0.41 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.26 1xyc h LEU 882 CO 0.01 0.66 0.00 0.18 -0.34 0.00 0.00 178.44 178.95 1xyc n LEU 883 N -4.55 0.49 -1.48 2.25 4.77 -0.40 -4.89 117.00 113.20 1xyc n LEU 883 Ca 0.02 -0.18 -0.15 0.00 -0.03 0.00 0.00 56.01 55.68 1xyc n LEU 883 Cb 0.14 -0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.18 1xyc n LEU 883 CO 0.38 0.09 -0.17 0.61 -1.33 0.00 0.00 177.39 176.97 1xyc n GLY 884 N 0.99 0.46 0.23 -0.72 0.00 -0.79 -4.86 105.19 100.50 1xyc n GLY 884 Ca 0.19 -0.28 0.13 0.00 0.00 0.00 0.00 46.02 46.06 1xyc n GLY 884 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xyc n ALA 885 N -0.53 2.61 -1.88 4.61 0.00 0.74 -5.01 120.51 121.05 1xyc n ALA 885 Ca -0.17 -0.31 0.00 0.00 0.00 0.00 0.00 53.44 52.97 1xyc n ALA 885 Cb 0.58 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.73 1xyc n ALA 885 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39