#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xya n TYR 502 N 0.00 -1.90 -3.20 7.33 4.01 -1.26 -4.96 117.16 117.17 1xya n TYR 502 Ca 0.00 0.55 -0.41 0.00 -0.16 0.00 0.00 57.90 57.87 1xya n TYR 502 Cb 0.00 -3.42 -0.07 0.00 -0.31 0.00 0.00 39.34 35.54 1xya n TYR 502 CO 0.00 0.00 0.00 -1.14 -0.46 0.00 0.00 176.86 175.26 1xya s GLN 503 N -6.05 3.73 0.38 -0.72 -0.44 -1.26 -4.58 119.66 110.72 1xya s GLN 503 Ca 0.42 -0.00 -0.28 0.00 -2.50 0.00 0.00 55.36 53.00 1xya s GLN 503 Cb -0.21 -3.78 -0.10 0.00 -1.64 0.00 0.00 33.01 27.28 1xya s GLN 503 CO 0.52 -0.61 1.44 -1.25 0.50 0.00 0.00 175.29 175.89 1xya s PRO 504 N 2.46 4.10 0.24 1.67 0.04 -1.26 -5.06 135.00 137.19 1xya s PRO 504 Ca 0.21 2.47 0.06 0.00 0.04 0.00 0.00 61.00 63.78 1xya s PRO 504 Cb -0.15 -2.94 -0.05 0.00 0.04 0.00 0.00 34.50 31.39 1xya s PRO 504 CO 0.13 -0.50 -0.06 0.95 0.04 0.00 0.00 177.00 177.55 1xya s THR 505 N -1.14 1.45 0.57 1.26 -4.23 -1.25 -4.48 115.64 107.82 1xya s THR 505 Ca 0.53 -2.11 0.32 0.00 -1.18 0.00 0.00 61.69 59.25 1xya s THR 505 Cb -0.45 -2.29 0.46 0.00 1.34 0.00 0.00 72.50 71.56 1xya s THR 505 CO 0.60 -0.41 1.81 -0.65 -0.54 0.00 0.00 174.62 175.43 1xya h PRO 506 N 2.43 0.00 0.00 3.99 0.11 -1.81 -0.64 132.00 136.07 1xya h PRO 506 Ca -0.39 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.70 1xya h PRO 506 Cb 1.22 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 1xya h PRO 506 CO 0.65 0.00 -0.12 1.49 -0.21 0.00 0.00 178.00 179.81 1xya h GLU 507 N 0.00 0.00 0.00 1.05 4.81 -1.96 -2.18 114.58 116.30 1xya h GLU 507 Ca 0.39 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.62 1xya h GLU 507 Cb 1.79 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.17 1xya h GLU 507 CO -0.00 0.12 0.00 -0.25 -0.73 0.00 0.00 179.01 178.14 1xya n ASP 508 N -3.86 0.00 -3.42 1.04 8.00 -0.25 -4.93 116.55 113.14 1xya n ASP 508 Ca -0.02 -0.52 -0.25 0.00 0.71 0.00 0.00 54.79 54.70 1xya n ASP 508 Cb 0.22 -0.12 0.03 0.00 -0.02 0.00 0.00 41.12 41.23 1xya n ASP 508 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1xya n ARG 509 N -1.12 -5.07 -2.73 -1.24 1.74 -0.82 -4.70 116.66 102.72 1xya n ARG 509 Ca 0.17 0.70 -0.42 0.00 -0.77 0.00 0.00 57.85 57.53 1xya n ARG 509 Cb 0.14 -5.56 -0.03 0.00 -1.02 0.00 0.00 32.46 25.99 1xya n ARG 509 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1xya s PHE 510 N -3.16 3.49 0.17 -1.55 0.08 -1.26 -0.87 117.98 114.87 1xya s PHE 510 Ca 0.46 1.52 0.07 0.00 0.12 0.00 0.00 56.93 59.09 1xya s PHE 510 Cb -0.22 -3.15 -0.04 0.00 -0.57 0.00 0.00 43.02 39.03 1xya s PHE 510 CO 0.57 -0.23 -0.13 0.95 -0.10 0.00 0.00 175.22 176.27 1xya s THR 511 N 2.07 1.51 -0.01 0.64 -4.23 -0.74 0.30 115.64 115.18 1xya s THR 511 Ca 0.46 -2.06 -0.02 0.00 -1.18 0.00 0.00 61.69 58.89 1xya s THR 511 Cb -0.18 -1.88 0.00 0.00 1.34 0.00 0.00 72.50 71.79 1xya s THR 511 CO 0.16 -0.58 0.05 -0.36 -0.54 0.00 0.00 174.62 173.34 1xya s PHE 512 N -2.84 -0.00 0.50 3.99 0.40 -1.08 -0.41 117.98 118.53 1xya s PHE 512 Ca 0.18 0.02 -0.19 0.00 -0.60 0.00 0.00 56.93 56.34 1xya s PHE 512 Cb -0.01 -0.02 -0.08 0.00 0.51 0.00 0.00 43.02 43.43 1xya s PHE 512 CO 0.04 -0.07 1.02 0.20 0.70 0.00 0.00 175.22 177.12 1xya s GLY 513 N -0.28 2.37 0.45 4.36 0.00 -1.24 -1.27 107.32 111.70 1xya s GLY 513 Ca -0.03 0.48 0.13 0.00 0.00 0.00 0.00 44.72 45.30 1xya s GLY 513 CO 0.00 0.79 2.03 1.41 0.00 0.00 0.00 173.10 177.33 1xya h LEU 514 N 1.34 0.32 -0.03 0.66 3.38 -1.53 -2.53 115.31 116.92 1xya h LEU 514 Ca -0.49 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.48 1xya h LEU 514 Cb 1.21 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.89 1xya h LEU 514 CO 0.59 0.21 0.00 -2.67 0.09 0.00 0.00 178.44 176.66 1xya n TRP 515 N -4.47 0.07 0.00 1.13 2.14 -1.26 -2.70 117.44 112.35 1xya n TRP 515 Ca 0.06 0.02 0.00 0.00 2.07 0.00 0.00 57.50 59.66 1xya n TRP 515 Cb 0.26 -0.54 0.00 0.00 -0.81 0.00 0.00 31.31 30.22 1xya n TRP 515 CO 0.00 0.00 0.00 0.25 2.07 0.00 0.00 177.69 180.01 1xya n THR 516 N -1.56 0.00 0.29 -1.67 -2.24 -0.95 -3.09 114.28 105.06 1xya n THR 516 Ca 0.05 0.20 0.17 0.00 -2.27 0.00 0.00 64.05 62.21 1xya n THR 516 Cb 0.27 -0.66 0.86 0.00 -2.10 0.00 0.00 70.33 68.70 1xya n THR 516 CO 0.00 0.00 0.00 -0.37 -0.57 0.00 0.00 175.07 174.13 1xya h VAL 517 N 0.00 0.25 -0.14 2.28 -1.51 -1.74 -1.62 116.25 113.77 1xya h VAL 517 Ca 0.00 -0.37 0.00 0.00 -1.23 0.00 0.00 66.70 65.10 1xya h VAL 517 Cb 0.00 1.29 0.00 0.00 -2.13 0.00 0.00 31.29 30.45 1xya h VAL 517 CO 0.00 0.05 0.00 0.61 -1.23 0.00 0.00 177.57 177.00 1xya n GLY 518 N -0.61 0.06 3.68 5.19 0.00 -1.10 -4.89 105.19 107.52 1xya n GLY 518 Ca -0.02 -0.37 -0.42 0.00 0.00 0.00 0.00 46.02 45.22 1xya n GLY 518 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1xya s TRP 519 N -1.83 2.20 -1.43 1.61 -0.00 -0.61 -4.57 118.94 114.32 1xya s TRP 519 Ca 0.31 0.16 0.30 0.00 -0.00 0.00 0.00 56.10 56.87 1xya s TRP 519 Cb 0.17 -4.03 1.38 0.00 -0.00 0.00 0.00 33.47 30.99 1xya s TRP 519 CO 0.25 -4.24 1.97 1.04 -0.00 0.00 0.00 176.95 175.98 1xya n GLN 520 N 5.97 0.44 -0.24 5.86 6.02 -1.26 -4.89 117.38 129.29 1xya n GLN 520 Ca 0.17 -0.06 0.00 0.00 -0.01 0.00 0.00 57.00 57.09 1xya n GLN 520 Cb 0.40 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.16 1xya n GLN 520 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1xya n GLY 521 N 1.31 0.87 3.68 1.08 0.00 -1.26 -1.28 105.19 109.60 1xya n GLY 521 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 1xya n GLY 521 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1xya s ARG 522 N -0.76 4.28 0.46 1.61 6.06 -1.26 -4.43 118.95 124.92 1xya s ARG 522 Ca 0.00 1.89 0.03 0.00 -2.50 0.00 0.00 55.73 55.15 1xya s ARG 522 Cb 0.00 -3.61 -0.02 0.00 0.06 0.00 0.00 34.95 31.38 1xya s ARG 522 CO 0.00 -0.58 0.08 0.16 -2.50 0.00 0.00 175.30 172.46 1xya s ASP 523 N 1.90 3.39 0.57 -2.12 1.47 -0.84 -4.97 116.67 116.07 1xya s ASP 523 Ca 0.62 -1.69 0.33 0.00 1.18 0.00 0.00 52.55 52.99 1xya s ASP 523 Cb -0.29 0.56 1.45 0.00 -0.34 0.00 0.00 42.92 44.30 1xya s ASP 523 CO 0.25 -0.92 1.75 1.55 0.68 0.00 0.00 175.17 178.47 1xya h PRO 524 N 1.58 0.00 -0.10 2.11 0.13 -2.02 -3.04 132.00 130.66 1xya h PRO 524 Ca -0.38 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 1xya h PRO 524 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 1xya h PRO 524 CO 0.63 0.00 0.00 1.19 -0.23 0.00 0.00 178.00 179.59 1xya n PHE 525 N -3.90 0.32 -3.56 1.56 3.72 -1.26 -5.07 117.46 109.28 1xya n PHE 525 Ca 0.21 -0.86 -0.06 0.00 -0.05 0.00 0.00 57.45 56.69 1xya n PHE 525 Cb 1.15 -0.18 -0.02 0.00 -0.94 0.00 0.00 39.48 39.49 1xya n PHE 525 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1xya s GLY 526 N -2.21 -0.36 0.75 1.37 0.00 -1.15 -5.17 107.32 100.55 1xya s GLY 526 Ca 0.30 1.37 -0.05 0.00 0.00 0.00 0.00 44.72 46.34 1xya s GLY 526 CO 0.05 0.47 1.05 0.99 0.00 0.00 0.00 173.10 175.66 1xya s ASP 527 N -2.27 4.29 0.27 1.64 1.01 -1.26 -1.98 116.67 118.37 1xya s ASP 527 Ca 0.07 0.01 -0.30 0.00 0.71 0.00 0.00 52.55 53.04 1xya s ASP 527 Cb -0.01 -0.43 -0.11 0.00 1.01 0.00 0.00 42.92 43.38 1xya s ASP 527 CO -0.06 -1.91 1.49 0.00 0.21 0.00 0.00 175.17 174.89 1xya s ALA 528 N -3.29 3.66 -1.55 5.23 0.00 -1.26 -4.15 121.76 120.41 1xya s ALA 528 Ca 0.66 1.42 0.16 0.00 0.00 0.00 0.00 51.96 54.19 1xya s ALA 528 Cb -0.07 -3.59 0.02 0.00 0.00 0.00 0.00 23.12 19.48 1xya s ALA 528 CO 0.46 -0.83 0.87 0.25 0.00 0.00 0.00 175.76 176.51 1xya n THR 529 N 2.19 0.00 -4.06 0.00 -2.24 -0.40 -4.93 114.28 104.84 1xya n THR 529 Ca 0.07 -0.36 -0.12 0.00 -2.27 0.00 0.00 64.05 61.36 1xya n THR 529 Cb 0.39 1.21 -0.11 0.00 -2.10 0.00 0.00 70.33 69.72 1xya n THR 529 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1xya s ARG 530 N -1.78 0.52 0.75 -0.78 0.52 -0.95 -4.96 118.95 112.26 1xya s ARG 530 Ca 0.14 -0.79 -0.11 0.00 -0.52 0.00 0.00 55.73 54.45 1xya s ARG 530 Cb 0.13 -0.20 0.05 0.00 0.52 0.00 0.00 34.95 35.44 1xya s ARG 530 CO 0.36 0.02 1.09 -1.25 0.02 0.00 0.00 175.30 175.55 1xya s PRO 531 N -1.80 2.37 0.36 3.54 0.04 -1.26 -4.70 135.00 133.56 1xya s PRO 531 Ca -0.09 1.20 -0.27 0.00 0.04 0.00 0.00 61.00 61.88 1xya s PRO 531 Cb -0.08 -1.91 -0.09 0.00 0.04 0.00 0.00 34.50 32.46 1xya s PRO 531 CO -0.00 -1.56 1.17 0.00 0.04 0.00 0.00 177.00 176.64 1xya s ALA 532 N -2.82 3.26 0.02 8.56 0.00 -1.26 -4.83 121.76 124.69 1xya s ALA 532 Ca 0.62 0.98 -0.18 0.00 0.00 0.00 0.00 51.96 53.38 1xya s ALA 532 Cb -0.18 -3.38 -0.06 0.00 0.00 0.00 0.00 23.12 19.51 1xya s ALA 532 CO 0.54 -0.45 0.51 -0.51 0.00 0.00 0.00 175.76 175.85 1xya s LEU 533 N -2.16 4.46 0.22 0.00 1.43 -1.26 -5.07 118.68 116.31 1xya s LEU 533 Ca 0.53 1.10 -0.30 0.00 -1.03 0.00 0.00 54.13 54.43 1xya s LEU 533 Cb -0.32 -2.78 -0.09 0.00 0.03 0.00 0.00 46.19 43.02 1xya s LEU 533 CO 0.41 0.23 1.38 -0.62 0.23 0.00 0.00 176.35 177.98 1xya s ASP 534 N -0.74 6.77 0.42 2.29 2.15 -1.26 -4.95 116.67 121.35 1xya s ASP 534 Ca 0.27 2.54 0.16 0.00 0.43 0.00 0.00 52.55 55.95 1xya s ASP 534 Cb -0.18 -2.62 1.05 0.00 -0.30 0.00 0.00 42.92 40.87 1xya s ASP 534 CO 0.16 -0.62 1.90 -0.65 -0.17 0.00 0.00 175.17 175.79 1xya h PRO 535 N 5.24 0.42 -0.35 4.34 0.11 -1.97 -1.93 132.00 137.86 1xya h PRO 535 Ca -0.45 -0.03 -0.14 0.00 0.11 0.00 0.00 66.00 65.50 1xya h PRO 535 Cb 1.22 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 1xya h PRO 535 CO 0.78 0.28 -0.32 0.28 -0.21 0.00 0.00 178.00 178.81 1xya h VAL 536 N 0.43 1.29 -0.30 3.15 2.07 -1.92 -2.34 116.25 118.63 1xya h VAL 536 Ca 0.40 -1.49 -0.09 0.00 0.82 0.00 0.00 66.70 66.34 1xya h VAL 536 Cb 0.92 1.46 -0.01 0.00 -1.52 0.00 0.00 31.29 32.14 1xya h VAL 536 CO -0.14 0.49 -0.21 1.05 0.02 0.00 0.00 177.57 178.78 1xya h GLU 537 N 0.61 0.55 -0.37 1.57 4.11 -1.76 -2.49 114.58 116.80 1xya h GLU 537 Ca 0.06 -0.20 -0.01 0.00 0.07 0.00 0.00 59.36 59.28 1xya h GLU 537 Cb 0.90 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.09 1xya h GLU 537 CO 0.08 0.73 0.20 1.15 0.07 0.00 0.00 179.01 181.24 1xya h THR 538 N 0.49 1.15 -0.37 -1.06 2.02 -1.30 -1.07 112.91 112.77 1xya h THR 538 Ca 0.08 -0.39 0.05 0.00 0.77 0.00 0.00 66.41 66.91 1xya h THR 538 Cb 0.64 0.73 -0.04 0.00 -1.74 0.00 0.00 68.15 67.73 1xya h THR 538 CO 0.05 0.15 0.11 0.58 0.37 0.00 0.00 175.52 176.78 1xya h VAL 539 N 0.47 0.86 0.18 3.16 2.07 -1.17 -1.03 116.25 120.79 1xya h VAL 539 Ca 0.13 -0.09 0.01 0.00 0.82 0.00 0.00 66.70 67.58 1xya h VAL 539 Cb 0.07 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 30.40 1xya h VAL 539 CO -0.02 0.05 -0.28 1.56 0.02 0.00 0.00 177.57 178.89 1xya h GLN 540 N 0.25 -0.52 -0.71 1.57 1.08 -1.23 -1.25 115.11 114.31 1xya h GLN 540 Ca 0.17 0.04 -0.07 0.00 -1.45 0.00 0.00 58.65 57.34 1xya h GLN 540 Cb 0.17 0.12 -0.03 0.00 -0.05 0.00 0.00 27.48 27.69 1xya h GLN 540 CO -0.20 -0.34 0.16 0.00 -0.95 0.00 0.00 178.83 177.50 1xya h ARG 541 N -0.54 1.14 -0.31 1.46 -0.00 -1.03 -2.45 114.38 112.66 1xya h ARG 541 Ca 0.01 -0.28 -0.14 0.00 -0.50 0.00 0.00 59.98 59.08 1xya h ARG 541 Cb 0.53 -0.15 -0.01 0.00 0.00 0.00 0.00 29.97 30.35 1xya h ARG 541 CO -0.12 1.01 -0.37 -0.07 0.00 0.00 0.00 179.97 180.42 1xya h LEU 542 N 1.07 0.74 -1.14 3.04 3.38 -1.06 -2.43 115.31 118.92 1xya h LEU 542 Ca 0.22 -0.32 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 1xya h LEU 542 Cb 0.39 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 1xya h LEU 542 CO 0.01 1.04 0.31 0.00 0.09 0.00 0.00 178.44 179.88 1xya h ALA 543 N 1.00 1.33 -0.36 1.53 0.00 -1.14 -1.64 119.26 119.98 1xya h ALA 543 Ca 0.05 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 1xya h ALA 543 Cb 0.90 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 1xya h ALA 543 CO 0.08 0.52 0.01 0.93 0.00 0.00 0.00 179.25 180.79 1xya h GLU 544 N 0.91 0.56 0.00 0.00 5.08 -1.23 -2.71 114.58 117.19 1xya h GLU 544 Ca 0.23 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1xya h GLU 544 Cb 0.09 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1xya h GLU 544 CO -0.03 0.58 0.00 1.28 -1.00 0.00 0.00 179.01 179.84 1xya n LEU 545 N -4.28 0.00 0.00 1.33 4.32 -0.85 -4.90 117.00 112.62 1xya n LEU 545 Ca 0.02 0.47 0.00 0.00 -0.02 0.00 0.00 56.01 56.47 1xya n LEU 545 Cb 0.24 -0.47 0.00 0.00 -1.62 0.00 0.00 43.42 41.58 1xya n LEU 545 CO 0.39 -0.07 0.00 0.61 -1.22 0.00 0.00 177.39 177.10 1xya n GLY 546 N 1.02 0.93 3.77 -0.72 0.00 -1.02 -4.68 105.19 104.48 1xya n GLY 546 Ca 0.07 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.71 1xya n GLY 546 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xya s ALA 547 N -2.00 3.03 0.06 4.61 0.00 -0.68 -3.30 121.76 123.49 1xya s ALA 547 Ca 0.00 1.06 -0.01 0.00 0.00 0.00 0.00 51.96 53.01 1xya s ALA 547 Cb 0.00 -3.43 -0.26 0.00 0.00 0.00 0.00 23.12 19.43 1xya s ALA 547 CO 0.00 -0.77 1.08 1.25 0.00 0.00 0.00 175.76 177.32 1xya h HIS 548 N 2.18 0.36 -2.15 0.00 2.76 -0.40 -3.42 115.15 114.47 1xya h HIS 548 Ca -0.49 -0.26 0.17 0.00 -2.20 0.00 0.00 60.37 57.58 1xya h HIS 548 Cb 1.25 -0.01 -0.03 0.00 1.55 0.00 0.00 27.41 30.17 1xya h HIS 548 CO 0.52 1.23 0.51 0.41 -1.30 0.00 0.00 177.93 179.31 1xya n GLY 549 N 1.53 0.62 3.22 5.26 0.00 -1.13 -2.49 105.19 112.20 1xya n GLY 549 Ca -0.09 -1.05 -0.13 0.00 0.00 0.00 0.00 46.02 44.75 1xya n GLY 549 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1xya s VAL 550 N -2.15 0.96 0.28 1.61 -7.23 -0.43 -2.65 120.40 110.80 1xya s VAL 550 Ca 0.19 -2.01 0.04 0.00 -1.81 0.00 0.00 61.98 58.39 1xya s VAL 550 Cb -0.02 -1.79 -0.06 0.00 0.56 0.00 0.00 36.38 35.08 1xya s VAL 550 CO 0.02 -0.79 0.02 0.42 -0.31 0.00 0.00 175.10 174.46 1xya s THR 551 N -3.46 1.17 0.03 5.32 -4.23 -0.40 -3.94 115.64 110.13 1xya s THR 551 Ca 0.15 -2.03 -0.18 0.00 -1.18 0.00 0.00 61.69 58.45 1xya s THR 551 Cb 0.04 -2.58 0.03 0.00 1.34 0.00 0.00 72.50 71.33 1xya s THR 551 CO -0.02 -0.16 0.40 0.72 -0.54 0.00 0.00 174.62 175.03 1xya s PHE 552 N -3.32 -0.26 0.13 3.99 -0.71 -1.25 -1.15 117.98 115.41 1xya s PHE 552 Ca 0.33 0.27 -0.14 0.00 -1.04 0.00 0.00 56.93 56.34 1xya s PHE 552 Cb 0.07 0.20 -0.07 0.00 -1.21 0.00 0.00 43.02 42.01 1xya s PHE 552 CO 0.13 -0.53 0.53 -1.01 -1.34 0.00 0.00 175.22 173.00 1xya s HIS 553 N -2.18 3.63 0.23 3.49 3.76 -1.26 -0.49 115.29 122.47 1xya s HIS 553 Ca -0.07 1.06 -0.13 0.00 -0.15 0.00 0.00 55.06 55.77 1xya s HIS 553 Cb -0.02 -2.36 0.30 0.00 1.11 0.00 0.00 32.58 31.62 1xya s HIS 553 CO -0.00 0.46 1.59 0.38 -0.85 0.00 0.00 174.74 176.32 1xya h ASP 554 N 3.71 -0.84 0.62 1.40 2.03 -1.73 -1.84 116.42 119.77 1xya h ASP 554 Ca -0.49 0.24 0.00 0.00 -0.73 0.00 0.00 57.03 56.05 1xya h ASP 554 Cb 1.20 0.52 0.00 0.00 -0.83 0.00 0.00 39.33 40.22 1xya h ASP 554 CO 0.65 -0.27 0.00 0.47 -1.03 0.00 0.00 179.24 179.06 1xya n ASP 555 N -5.51 0.24 -0.02 4.15 8.00 -1.26 -1.40 116.55 120.75 1xya n ASP 555 Ca 0.10 0.56 -0.11 0.00 0.71 0.00 0.00 54.79 56.05 1xya n ASP 555 Cb 0.40 -0.61 0.03 0.00 -0.02 0.00 0.00 41.12 40.92 1xya n ASP 555 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 1xya h ASP 556 N 0.00 0.72 0.16 -2.24 3.32 -1.73 -3.37 116.42 113.29 1xya h ASP 556 Ca 0.00 -0.38 -0.36 0.00 0.02 0.00 0.00 57.03 56.31 1xya h ASP 556 Cb 0.31 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.62 1xya h ASP 556 CO 0.00 1.12 -2.04 -0.11 -1.72 0.00 0.00 179.24 176.49 1xya n LEU 557 N -3.98 2.29 -3.97 1.55 7.94 -0.76 -4.78 117.00 115.29 1xya n LEU 557 Ca -0.03 0.19 -0.31 0.00 -1.11 0.00 0.00 56.01 54.74 1xya n LEU 557 Cb 0.61 -0.81 -0.15 0.00 0.53 0.00 0.00 43.42 43.59 1xya n LEU 557 CO 0.48 0.78 -0.42 -0.63 -1.11 0.00 0.00 177.39 176.48 1xya s ILE 558 N -2.56 1.74 0.01 1.96 1.01 -0.50 -4.83 121.20 118.05 1xya s ILE 558 Ca -0.21 -1.44 -0.37 0.00 0.00 0.00 0.00 60.65 58.64 1xya s ILE 558 Cb 0.07 -2.00 -0.16 0.00 0.01 0.00 0.00 42.46 40.39 1xya s ILE 558 CO 0.76 -0.15 1.51 -0.81 0.00 0.00 0.00 174.94 176.25 1xya n PRO 559 N 4.58 1.41 -1.55 2.79 -0.04 -1.26 -4.07 135.00 136.87 1xya n PRO 559 Ca -0.11 0.51 -0.50 0.00 -0.04 0.00 0.00 63.50 63.37 1xya n PRO 559 Cb 0.43 -2.20 -0.04 0.00 -0.04 0.00 0.00 33.50 31.65 1xya n PRO 559 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1xya n PHE 560 N 3.57 0.98 -0.63 0.54 -0.00 -1.26 -1.62 117.46 119.04 1xya n PHE 560 Ca 0.20 0.77 0.00 0.00 -0.00 0.00 0.00 57.45 58.42 1xya n PHE 560 Cb 0.20 -2.21 0.00 0.00 -0.00 0.00 0.00 39.48 37.47 1xya n PHE 560 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1xya n GLY 561 N 1.89 0.78 3.77 7.13 0.00 -1.26 -5.03 105.19 112.47 1xya n GLY 561 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 1xya n GLY 561 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xya s SER 562 N -2.75 6.45 0.78 1.61 0.01 -0.64 -5.01 113.70 114.16 1xya s SER 562 Ca 0.00 2.75 -0.11 0.00 1.31 0.00 0.00 55.95 59.90 1xya s SER 562 Cb 0.00 -2.65 0.06 0.00 0.21 0.00 0.00 66.02 63.64 1xya s SER 562 CO 0.00 -0.76 1.08 -0.94 0.41 0.00 0.00 173.24 173.03 1xya s SER 563 N -0.53 4.58 0.52 2.44 1.04 -1.26 -4.76 113.70 115.73 1xya s SER 563 Ca 0.54 1.53 0.25 0.00 0.48 0.00 0.00 55.95 58.75 1xya s SER 563 Cb -0.40 -2.29 1.38 0.00 0.10 0.00 0.00 66.02 64.81 1xya s SER 563 CO 0.53 -1.94 1.98 -0.78 0.98 0.00 0.00 173.24 174.00 1xya h ASP 564 N -1.07 0.03 0.62 7.02 3.58 -1.99 0.91 116.42 125.53 1xya h ASP 564 Ca -0.46 0.00 -0.26 0.00 0.42 0.00 0.00 57.03 56.74 1xya h ASP 564 Cb 1.25 -0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.29 1xya h ASP 564 CO 0.56 0.01 -1.16 0.71 -2.88 0.00 0.00 179.24 176.48 1xya h THR 565 N 0.03 1.51 -0.13 2.25 1.35 -2.00 -2.34 112.91 113.58 1xya h THR 565 Ca 0.28 -2.99 -0.14 0.00 -0.55 0.00 0.00 66.41 63.02 1xya h THR 565 Cb 1.10 2.84 -0.01 0.00 -1.73 0.00 0.00 68.15 70.35 1xya h THR 565 CO -0.01 0.87 -0.51 -0.33 -0.25 0.00 0.00 175.52 175.29 1xya h GLU 566 N 0.09 0.34 0.55 4.72 5.08 -1.30 -2.69 114.58 121.36 1xya h GLU 566 Ca -0.11 -0.20 -0.03 0.00 -1.00 0.00 0.00 59.36 58.02 1xya h GLU 566 Cb 1.88 0.02 0.01 0.00 0.50 0.00 0.00 28.75 31.15 1xya h GLU 566 CO 0.19 0.77 -0.26 -0.09 -1.00 0.00 0.00 179.01 178.62 1xya h ARG 567 N 0.27 -0.71 -0.93 2.33 2.43 -0.95 -1.95 114.38 114.87 1xya h ARG 567 Ca 0.01 0.05 0.22 0.00 -0.81 0.00 0.00 59.98 59.45 1xya h ARG 567 Cb 0.99 0.16 -0.18 0.00 -0.42 0.00 0.00 29.97 30.53 1xya h ARG 567 CO 0.08 -0.47 -0.10 -1.91 -1.51 0.00 0.00 179.97 176.06 1xya n GLU 568 N -4.31 -0.08 -0.18 0.20 0.00 -0.88 -0.73 120.64 114.65 1xya n GLU 568 Ca -0.09 1.42 -0.09 0.00 0.00 0.00 0.00 57.16 58.40 1xya n GLU 568 Cb 0.29 -2.19 0.01 0.00 0.00 0.00 0.00 31.44 29.54 1xya n GLU 568 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.13 178.16 1xya h SER 569 N 0.00 0.84 -0.53 4.31 0.87 -1.49 -0.28 113.55 117.28 1xya h SER 569 Ca 0.51 -0.28 -0.06 0.00 -1.23 0.00 0.00 61.79 60.73 1xya h SER 569 Cb 0.94 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 62.65 1xya h SER 569 CO -0.92 0.91 0.08 0.45 -0.53 0.00 0.00 176.83 176.82 1xya h HIS 570 N 0.75 0.94 -0.40 2.24 3.86 -0.11 -2.70 115.15 119.72 1xya h HIS 570 Ca 0.15 -0.13 -0.12 0.00 -1.16 0.00 0.00 60.37 59.11 1xya h HIS 570 Cb 0.44 -0.26 -0.01 0.00 1.06 0.00 0.00 27.41 28.64 1xya h HIS 570 CO 0.03 0.84 -0.25 0.82 0.86 0.00 0.00 177.93 180.24 1xya h ILE 571 N 0.76 1.27 -0.20 2.45 2.04 -1.14 -2.81 117.51 119.88 1xya h ILE 571 Ca 0.16 -1.38 -0.02 0.00 1.00 0.00 0.00 64.86 64.62 1xya h ILE 571 Cb 0.42 1.23 -0.01 0.00 -0.74 0.00 0.00 36.82 37.72 1xya h ILE 571 CO 0.01 0.46 0.03 0.50 0.00 0.00 0.00 178.15 179.16 1xya h LYS 572 N 0.70 0.33 -0.01 2.37 3.64 -0.91 -1.37 116.57 121.33 1xya h LYS 572 Ca 0.09 -0.09 -0.11 0.00 -1.27 0.00 0.00 60.65 59.27 1xya h LYS 572 Cb 0.78 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.54 1xya h LYS 572 CO 0.06 0.48 -0.53 0.07 -2.27 0.00 0.00 179.45 177.26 1xya h ARG 573 N 0.13 0.02 0.06 1.90 0.11 -1.55 -1.24 114.38 113.82 1xya h ARG 573 Ca 0.06 -0.01 -0.00 0.00 0.10 0.00 0.00 59.98 60.13 1xya h ARG 573 Cb 0.31 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.39 1xya h ARG 573 CO 0.00 0.55 -0.03 0.35 0.10 0.00 0.00 179.97 180.94 1xya h PHE 574 N 0.02 -0.07 -0.81 4.08 3.57 -1.43 -2.72 116.94 119.57 1xya h PHE 574 Ca -0.00 -0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.58 1xya h PHE 574 Cb 0.95 0.02 -0.06 0.00 2.79 0.00 0.00 35.95 39.66 1xya h PHE 574 CO 0.00 0.35 0.53 -0.09 -2.23 0.00 0.00 178.31 176.87 1xya h ARG 575 N -0.52 0.77 -0.48 1.11 2.43 -1.19 -1.83 114.38 114.66 1xya h ARG 575 Ca -0.01 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.08 1xya h ARG 575 Cb 0.45 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.81 1xya h ARG 575 CO 0.01 0.51 0.16 0.37 -1.51 0.00 0.00 179.97 179.51 1xya h GLN 576 N 0.79 0.75 -0.48 0.20 -0.00 -1.15 -1.33 115.11 113.89 1xya h GLN 576 Ca 0.37 -0.16 -0.07 0.00 -0.00 0.00 0.00 58.65 58.79 1xya h GLN 576 Cb 0.39 -0.11 -0.02 0.00 0.00 0.00 0.00 27.48 27.74 1xya h GLN 576 CO -0.14 0.70 0.02 0.00 0.00 0.00 0.00 178.83 179.41 1xya h ALA 577 N 1.01 1.15 -0.16 3.38 0.00 -1.04 -0.63 119.26 122.97 1xya h ALA 577 Ca 0.16 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1xya h ALA 577 Cb 0.26 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1xya h ALA 577 CO -0.01 0.55 0.08 -0.07 0.00 0.00 0.00 179.25 179.81 1xya h LEU 578 N 0.73 0.21 -0.49 0.00 4.07 -1.13 -1.43 115.31 117.26 1xya h LEU 578 Ca 0.15 -0.12 -0.01 0.00 0.08 0.00 0.00 57.88 57.98 1xya h LEU 578 Cb 0.41 -0.05 -0.02 0.00 1.08 0.00 0.00 40.66 42.07 1xya h LEU 578 CO 0.01 0.27 0.25 0.44 -1.08 0.00 0.00 178.44 178.34 1xya h ASP 579 N 0.14 0.63 0.06 -0.43 3.32 -0.87 -1.39 116.42 117.88 1xya h ASP 579 Ca 0.06 -0.11 -0.01 0.00 0.02 0.00 0.00 57.03 56.98 1xya h ASP 579 Cb 0.11 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.50 1xya h ASP 579 CO -0.01 0.56 -0.06 0.00 -1.72 0.00 0.00 179.24 178.01 1xya h ALA 580 N 1.10 1.90 0.00 3.45 0.00 -0.96 -3.22 119.26 121.52 1xya h ALA 580 Ca 0.17 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1xya h ALA 580 Cb 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1xya h ALA 580 CO -0.02 0.08 -1.07 0.25 0.00 0.00 0.00 179.25 178.48 1xya n THR 581 N -4.46 0.00 -0.96 0.00 -2.24 -0.55 -4.97 114.28 101.09 1xya n THR 581 Ca -0.03 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 1xya n THR 581 Cb 0.14 0.70 0.00 0.00 -2.10 0.00 0.00 70.33 69.08 1xya n THR 581 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xya n GLY 582 N 1.44 0.54 3.76 3.38 0.00 -0.56 -5.03 105.19 108.73 1xya n GLY 582 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 1xya n GLY 582 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1xya s MET 583 N -0.04 4.49 0.37 1.61 -1.94 -1.14 -4.99 119.30 117.67 1xya s MET 583 Ca 0.00 1.80 0.08 0.00 -1.71 0.00 0.00 55.69 55.85 1xya s MET 583 Cb 0.00 -3.03 -0.02 0.00 2.01 0.00 0.00 34.83 33.78 1xya s MET 583 CO 0.00 0.08 0.33 0.95 -0.01 0.00 0.00 175.02 176.36 1xya s THR 584 N -1.26 3.10 -0.48 2.05 -4.23 -1.04 -4.74 115.64 109.04 1xya s THR 584 Ca 0.48 -1.37 0.04 0.00 -1.18 0.00 0.00 61.69 59.66 1xya s THR 584 Cb -0.31 -3.09 0.13 0.00 1.34 0.00 0.00 72.50 70.57 1xya s THR 584 CO 0.40 -0.09 0.23 -0.69 -0.54 0.00 0.00 174.62 173.92 1xya s VAL 585 N -2.39 2.32 -0.04 2.29 1.01 -1.26 -1.31 120.40 121.03 1xya s VAL 585 Ca 0.44 -3.04 0.21 0.00 0.00 0.00 0.00 61.98 59.59 1xya s VAL 585 Cb -0.04 -2.63 0.19 0.00 0.00 0.00 0.00 36.38 33.89 1xya s VAL 585 CO 0.27 -0.79 1.67 -0.65 0.00 0.00 0.00 175.10 175.60 1xya h PRO 586 N 6.70 0.00 -2.82 2.72 0.11 -1.85 -3.07 132.00 133.79 1xya h PRO 586 Ca -0.07 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.94 1xya h PRO 586 Cb 0.91 0.00 -0.20 0.00 0.11 0.00 0.00 31.00 31.82 1xya h PRO 586 CO 0.63 0.29 -0.19 1.41 -0.21 0.00 0.00 178.00 179.93 1xya s MET 587 N -3.36 0.71 0.12 1.05 -2.45 -1.26 -2.03 119.30 112.08 1xya s MET 587 Ca 0.03 -0.03 -0.04 0.00 -1.25 0.00 0.00 55.69 54.40 1xya s MET 587 Cb 0.09 0.32 -0.03 0.00 1.25 0.00 0.00 34.83 36.46 1xya s MET 587 CO 0.68 -0.19 0.11 0.00 1.05 0.00 0.00 175.02 176.67 1xya s ALA 588 N -1.13 0.49 0.29 4.11 0.00 -1.06 -3.75 121.76 120.71 1xya s ALA 588 Ca -0.12 -1.21 -0.09 0.00 0.00 0.00 0.00 51.96 50.55 1xya s ALA 588 Cb -0.04 0.74 0.00 0.00 0.00 0.00 0.00 23.12 23.82 1xya s ALA 588 CO 0.05 -0.51 0.49 -0.08 0.00 0.00 0.00 175.76 175.71 1xya s THR 589 N -3.99 0.00 -0.02 0.00 -1.32 0.35 -1.62 115.64 109.05 1xya s THR 589 Ca 0.18 -1.46 0.03 0.00 -1.21 0.00 0.00 61.69 59.23 1xya s THR 589 Cb 0.06 -2.43 -0.03 0.00 -1.51 0.00 0.00 72.50 68.59 1xya s THR 589 CO -0.02 0.00 -0.07 -0.89 -2.21 0.00 0.00 174.62 171.44 1xya s THR 590 N -3.54 3.66 -0.58 5.08 2.01 -1.26 -1.97 115.64 119.05 1xya s THR 590 Ca 0.25 -0.70 -0.24 0.00 0.31 0.00 0.00 61.69 61.32 1xya s THR 590 Cb -0.01 -2.56 0.05 0.00 0.01 0.00 0.00 72.50 69.99 1xya s THR 590 CO 0.13 0.45 0.94 0.21 -0.69 0.00 0.00 174.62 175.66 1xya s ASN 591 N -1.26 6.30 -0.44 3.53 3.84 -1.26 -4.86 114.94 120.79 1xya s ASN 591 Ca 0.16 -0.50 0.05 0.00 0.21 0.00 0.00 52.86 52.78 1xya s ASN 591 Cb -0.11 -2.43 0.43 0.00 -0.55 0.00 0.00 41.25 38.59 1xya s ASN 591 CO 0.06 -1.27 1.28 0.18 -2.79 0.00 0.00 177.10 174.56 1xya n LEU 592 N 7.52 5.24 0.00 3.21 4.77 -1.26 -4.73 117.00 131.74 1xya n LEU 592 Ca 0.00 -4.96 0.00 0.00 -0.03 0.00 0.00 56.01 51.02 1xya n LEU 592 Cb 0.47 -0.51 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 1xya n LEU 592 CO 0.64 2.10 0.00 2.22 -1.33 0.00 0.00 177.39 181.02 1xya n PHE 593 N -0.59 0.00 -0.05 -1.77 1.16 -1.26 -4.50 117.46 110.45 1xya n PHE 593 Ca 0.44 0.00 -0.14 0.00 -1.87 0.00 0.00 57.45 55.88 1xya n PHE 593 Cb 0.73 0.00 -0.12 0.00 -1.61 0.00 0.00 39.48 38.48 1xya n PHE 593 CO 0.00 0.00 0.00 1.15 -1.87 0.00 0.00 176.76 176.04 1xya h THR 594 N 0.00 1.65 -3.55 1.97 2.02 -1.93 -3.46 112.91 109.61 1xya h THR 594 Ca 0.00 -1.98 -0.53 0.00 0.77 0.00 0.00 66.41 64.68 1xya h THR 594 Cb 0.00 2.99 0.06 0.00 -1.74 0.00 0.00 68.15 69.46 1xya h THR 594 CO 0.00 0.52 0.74 -2.28 0.37 0.00 0.00 175.52 174.86 1xya s HIS 595 N -2.88 2.98 0.49 3.16 2.46 -1.26 -4.91 115.29 115.33 1xya s HIS 595 Ca -0.18 1.13 0.35 0.00 0.47 0.00 0.00 55.06 56.82 1xya s HIS 595 Cb -0.01 -3.81 1.48 0.00 -0.13 0.00 0.00 32.58 30.11 1xya s HIS 595 CO 0.69 -2.52 1.70 -1.35 -2.47 0.00 0.00 174.74 170.80 1xya h PRO 596 N 4.46 0.09 -0.02 2.88 0.11 -2.03 -0.77 132.00 136.72 1xya h PRO 596 Ca -0.47 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 65.64 1xya h PRO 596 Cb 1.22 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 1xya h PRO 596 CO 0.74 0.06 0.02 -0.24 -0.21 0.00 0.00 178.00 178.37 1xya h VAL 597 N 0.09 0.74 -0.32 3.15 3.04 -1.97 -0.60 116.25 120.39 1xya h VAL 597 Ca 0.71 0.00 -0.02 0.00 -1.01 0.00 0.00 66.70 66.38 1xya h VAL 597 Cb 2.52 0.98 -0.01 0.00 -2.01 0.00 0.00 31.29 32.77 1xya h VAL 597 CO -0.17 0.00 0.03 0.49 -1.01 0.00 0.00 177.57 176.91 1xya n PHE 598 N -4.17 1.15 0.30 3.17 3.72 -0.30 -4.54 117.46 116.80 1xya n PHE 598 Ca -0.02 -0.45 0.17 0.00 -0.05 0.00 0.00 57.45 57.09 1xya n PHE 598 Cb 0.11 -0.35 0.95 0.00 -0.94 0.00 0.00 39.48 39.26 1xya n PHE 598 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 1xya h LYS 599 N 1.99 0.00 -0.28 -1.08 2.10 -1.26 -1.28 116.57 116.76 1xya h LYS 599 Ca 0.03 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.68 1xya h LYS 599 Cb 1.35 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.68 1xya h LYS 599 CO 0.29 0.02 0.00 -3.47 -2.00 0.00 0.00 179.45 174.29 1xya n ASP 600 N -3.59 3.23 0.00 7.07 2.03 -1.26 -5.03 116.55 119.00 1xya n ASP 600 Ca -0.03 -2.43 0.00 0.00 0.52 0.00 0.00 54.79 52.85 1xya n ASP 600 Cb 0.12 -0.35 0.00 0.00 -0.72 0.00 0.00 41.12 40.17 1xya n ASP 600 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1xya n GLY 601 N 0.00 1.46 0.01 0.27 0.00 -0.48 -3.80 105.19 102.65 1xya n GLY 601 Ca 0.15 -2.21 0.00 0.00 0.00 0.00 0.00 46.02 43.96 1xya n GLY 601 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xya n GLY 602 N -0.57 -0.20 0.22 -0.02 0.00 -1.26 -4.34 105.19 99.03 1xya n GLY 602 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.11 1xya n GLY 602 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1xya h PHE 603 N 0.00 0.00 0.00 1.61 0.04 -1.91 -3.20 116.94 113.48 1xya h PHE 603 Ca 0.00 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.77 1xya h PHE 603 Cb 0.00 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.15 1xya h PHE 603 CO 0.00 0.23 -0.20 0.25 -0.60 0.00 0.00 178.31 178.00 1xya n THR 604 N -3.54 1.99 -1.88 -1.55 -2.24 -1.26 -4.47 114.28 101.34 1xya n THR 604 Ca -0.01 -2.62 -0.41 0.00 -2.27 0.00 0.00 64.05 58.75 1xya n THR 604 Cb 0.39 -0.23 -0.01 0.00 -2.10 0.00 0.00 70.33 68.38 1xya n THR 604 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xya s ALA 605 N -2.98 3.54 0.37 6.98 0.00 -1.21 -4.84 121.76 123.62 1xya s ALA 605 Ca 0.34 1.49 0.05 0.00 0.00 0.00 0.00 51.96 53.84 1xya s ALA 605 Cb 0.31 -3.58 0.72 0.00 0.00 0.00 0.00 23.12 20.58 1xya s ALA 605 CO -0.01 -0.96 2.00 -0.91 0.00 0.00 0.00 175.76 175.89 1xya h ASN 606 N 3.06 0.58 -2.84 0.00 2.35 -1.93 -3.41 115.58 113.39 1xya h ASN 606 Ca -0.50 -0.03 -0.56 0.00 -0.55 0.00 0.00 56.30 54.65 1xya h ASN 606 Cb 1.24 -0.15 -0.03 0.00 0.05 0.00 0.00 38.32 39.43 1xya h ASN 606 CO 0.64 0.46 0.95 -1.81 -1.65 0.00 0.00 177.43 176.02 1xya s ASP 607 N -6.61 6.87 0.21 5.81 1.01 -1.26 -4.94 116.67 117.75 1xya s ASP 607 Ca -0.09 1.82 -0.10 0.00 0.71 0.00 0.00 52.55 54.89 1xya s ASP 607 Cb 0.17 -2.54 0.15 0.00 1.01 0.00 0.00 42.92 41.71 1xya s ASP 607 CO 0.75 -0.81 1.86 -0.09 0.21 0.00 0.00 175.17 177.09 1xya h ARG 608 N 8.57 0.99 -0.28 8.23 2.43 -2.00 -2.64 114.38 129.67 1xya h ARG 608 Ca -0.30 -0.08 -0.04 0.00 -0.81 0.00 0.00 59.98 58.75 1xya h ARG 608 Cb 1.12 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 30.44 1xya h ARG 608 CO 0.97 0.69 -0.01 0.38 -1.51 0.00 0.00 179.97 180.49 1xya h ASP 609 N 1.01 0.40 -0.49 -3.80 2.03 -1.96 -2.07 116.42 111.53 1xya h ASP 609 Ca 0.27 -0.07 -0.13 0.00 -0.73 0.00 0.00 57.03 56.37 1xya h ASP 609 Cb -0.06 -0.10 -0.01 0.00 -0.83 0.00 0.00 39.33 38.32 1xya h ASP 609 CO -0.05 0.47 -0.18 0.58 -1.03 0.00 0.00 179.24 179.03 1xya h VAL 610 N 0.42 1.27 -0.61 4.15 2.07 -1.89 -1.98 116.25 119.67 1xya h VAL 610 Ca 0.09 -1.34 0.02 0.00 0.82 0.00 0.00 66.70 66.29 1xya h VAL 610 Cb 0.29 1.09 -0.03 0.00 -1.52 0.00 0.00 31.29 31.12 1xya h VAL 610 CO 0.01 0.47 0.41 0.03 0.02 0.00 0.00 177.57 178.50 1xya h ARG 611 N 0.85 0.73 -0.19 1.57 3.08 -1.07 0.11 114.38 119.47 1xya h ARG 611 Ca 0.12 -0.04 -0.09 0.00 0.07 0.00 0.00 59.98 60.04 1xya h ARG 611 Cb 0.76 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 30.64 1xya h ARG 611 CO 0.06 0.49 -0.22 0.00 -1.07 0.00 0.00 179.97 179.23 1xya h ARG 612 N 0.76 0.48 -0.57 0.04 3.08 -1.14 -2.43 114.38 114.59 1xya h ARG 612 Ca 0.24 -0.26 0.02 0.00 0.07 0.00 0.00 59.98 60.04 1xya h ARG 612 Cb 0.02 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.05 1xya h ARG 612 CO -0.06 0.85 0.36 -0.92 -1.07 0.00 0.00 179.97 179.13 1xya h TYR 613 N 0.14 0.68 -0.61 3.04 3.20 -1.05 -2.02 116.97 120.35 1xya h TYR 613 Ca 0.03 0.02 0.05 0.00 3.14 0.00 0.00 58.73 61.97 1xya h TYR 613 Cb 0.77 -0.23 -0.05 0.00 1.54 0.00 0.00 36.73 38.77 1xya h TYR 613 CO 0.08 0.41 0.33 0.00 -1.64 0.00 0.00 178.16 177.34 1xya h ALA 614 N 1.23 0.80 -0.34 1.82 0.00 -0.91 -0.73 119.26 121.14 1xya h ALA 614 Ca 0.22 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 1xya h ALA 614 Cb -0.03 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1xya h ALA 614 CO -0.07 -0.00 0.19 -0.07 0.00 0.00 0.00 179.25 179.29 1xya h LEU 615 N 0.61 0.41 -0.64 0.00 3.38 -1.04 -1.62 115.31 116.43 1xya h LEU 615 Ca 0.27 -0.08 -0.05 0.00 0.09 0.00 0.00 57.88 58.11 1xya h LEU 615 Cb 0.17 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 1xya h LEU 615 CO -0.18 0.37 0.20 0.03 0.09 0.00 0.00 178.44 178.96 1xya h ARG 616 N 0.42 0.99 -0.37 1.13 2.47 -1.07 -0.68 114.38 117.28 1xya h ARG 616 Ca 0.12 -0.21 0.05 0.00 -1.26 0.00 0.00 59.98 58.68 1xya h ARG 616 Cb 0.05 -0.14 -0.05 0.00 -1.65 0.00 0.00 29.97 28.17 1xya h ARG 616 CO -0.02 0.87 0.08 -0.22 0.56 0.00 0.00 179.97 181.24 1xya h LYS 617 N 0.92 0.20 0.07 0.04 1.63 -1.08 -1.64 116.57 116.72 1xya h LYS 617 Ca 0.21 -0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 59.99 1xya h LYS 617 Cb 0.29 -0.05 0.00 0.00 -0.60 0.00 0.00 32.23 31.88 1xya h LYS 617 CO -0.01 0.13 -0.04 1.15 -3.45 0.00 0.00 179.45 177.24 1xya h THR 618 N 0.21 0.92 -0.59 1.00 2.02 -0.86 -2.92 112.91 112.69 1xya h THR 618 Ca 0.18 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.35 1xya h THR 618 Cb 0.20 0.92 -0.03 0.00 -1.74 0.00 0.00 68.15 67.50 1xya h THR 618 CO -0.22 0.00 0.34 0.40 0.37 0.00 0.00 175.52 176.40 1xya h ILE 619 N -0.10 1.19 -0.57 3.11 2.04 -0.99 0.18 117.51 122.37 1xya h ILE 619 Ca -0.01 -0.45 0.06 0.00 1.00 0.00 0.00 64.86 65.46 1xya h ILE 619 Cb 0.08 0.41 -0.05 0.00 -0.74 0.00 0.00 36.82 36.51 1xya h ILE 619 CO 0.01 0.20 0.27 -0.09 0.00 0.00 0.00 178.15 178.55 1xya h ARG 620 N 0.80 0.50 0.00 2.37 2.43 -1.32 -1.90 114.38 117.26 1xya h ARG 620 Ca 0.21 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.32 1xya h ARG 620 Cb 0.02 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 29.45 1xya h ARG 620 CO -0.04 0.33 -0.16 -0.97 -1.51 0.00 0.00 179.97 177.62 1xya h ASN 621 N 0.52 0.00 -0.71 -3.80 -1.24 -1.15 -2.95 115.58 106.24 1xya h ASN 621 Ca 0.26 0.00 -0.07 0.00 0.71 0.00 0.00 56.30 57.21 1xya h ASN 621 Cb 0.21 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.23 1xya h ASN 621 CO -0.20 0.16 0.19 0.40 -1.29 0.00 0.00 177.43 176.69 1xya h ILE 622 N 0.00 1.26 -0.55 2.57 2.04 -0.19 -1.50 117.51 121.13 1xya h ILE 622 Ca -0.00 -0.95 0.01 0.00 1.00 0.00 0.00 64.86 64.91 1xya h ILE 622 Cb 0.81 0.52 -0.03 0.00 -0.74 0.00 0.00 36.82 37.38 1xya h ILE 622 CO 0.02 0.37 0.36 0.44 0.00 0.00 0.00 178.15 179.34 1xya h ASP 623 N 1.07 0.61 -0.27 1.72 3.32 -1.30 -2.14 116.42 119.43 1xya h ASP 623 Ca 0.22 -0.01 -0.08 0.00 0.02 0.00 0.00 57.03 57.18 1xya h ASP 623 Cb 0.36 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 1xya h ASP 623 CO -0.00 0.44 -0.15 0.25 -1.72 0.00 0.00 179.24 178.06 1xya h LEU 624 N 0.73 0.60 -0.71 1.55 5.85 -1.37 -2.84 115.31 119.12 1xya h LEU 624 Ca 0.21 -0.42 0.05 0.00 0.84 0.00 0.00 57.88 58.56 1xya h LEU 624 Cb -0.06 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 40.75 1xya h LEU 624 CO -0.06 0.89 0.42 0.00 -0.34 0.00 0.00 178.44 179.35 1xya h ALA 625 N 0.73 0.95 -0.49 1.25 0.00 -1.03 -2.23 119.26 118.45 1xya h ALA 625 Ca 0.06 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.00 1xya h ALA 625 Cb 0.67 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 1xya h ALA 625 CO 0.04 0.14 0.28 0.28 0.00 0.00 0.00 179.25 179.99 1xya h VAL 626 N 0.79 1.02 -0.64 0.00 2.07 -1.39 0.01 116.25 118.10 1xya h VAL 626 Ca 0.31 -0.19 0.01 0.00 0.82 0.00 0.00 66.70 67.65 1xya h VAL 626 Cb 0.13 0.42 -0.03 0.00 -1.52 0.00 0.00 31.29 30.29 1xya h VAL 626 CO -0.16 0.10 0.43 -0.33 0.02 0.00 0.00 177.57 177.63 1xya h GLU 627 N 0.55 0.83 -0.00 1.57 5.08 -1.17 -1.45 114.58 119.98 1xya h GLU 627 Ca 0.20 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1xya h GLU 627 Cb 0.05 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.12 1xya h GLU 627 CO -0.11 0.55 -0.02 1.28 -1.00 0.00 0.00 179.01 179.71 1xya n LEU 628 N -4.44 0.44 0.00 1.33 4.32 -0.92 -4.95 117.00 112.78 1xya n LEU 628 Ca 0.07 -0.10 0.00 0.00 -0.02 0.00 0.00 56.01 55.96 1xya n LEU 628 Cb 0.06 -0.05 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 1xya n LEU 628 CO 0.36 0.08 0.00 0.61 -1.22 0.00 0.00 177.39 177.21 1xya n GLY 629 N 1.11 0.82 3.73 -0.72 0.00 -0.55 -4.44 105.19 105.15 1xya n GLY 629 Ca 0.20 -0.16 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 1xya n GLY 629 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xya s ALA 630 N -2.00 3.39 -0.47 4.61 0.00 -0.05 -4.72 121.76 122.53 1xya s ALA 630 Ca 0.00 0.86 0.20 0.00 0.00 0.00 0.00 51.96 53.02 1xya s ALA 630 Cb 0.00 -3.39 -0.27 0.00 0.00 0.00 0.00 23.12 19.47 1xya s ALA 630 CO 0.00 -0.30 0.64 1.63 0.00 0.00 0.00 175.76 177.73 1xya n LYS 631 N 2.63 0.55 -4.77 0.00 4.01 -0.86 -4.45 118.16 115.26 1xya n LYS 631 Ca 0.04 -0.10 -0.26 0.00 -0.51 0.00 0.00 58.31 57.48 1xya n LYS 631 Cb 0.46 -1.46 -0.16 0.00 -0.51 0.00 0.00 35.03 33.35 1xya n LYS 631 CO 0.00 0.00 0.00 0.99 -1.11 0.00 0.00 177.40 177.28 1xya s THR 632 N -3.15 1.38 -0.21 -0.18 2.01 -1.16 -1.22 115.64 113.10 1xya s THR 632 Ca -0.00 -0.65 0.01 0.00 0.31 0.00 0.00 61.69 61.36 1xya s THR 632 Cb 0.14 -1.21 0.03 0.00 0.01 0.00 0.00 72.50 71.46 1xya s THR 632 CO 0.83 0.40 -0.16 -0.47 -0.69 0.00 0.00 174.62 174.54 1xya s TYR 633 N 0.37 2.93 0.11 4.92 5.04 0.58 -2.57 117.35 128.73 1xya s TYR 633 Ca -0.11 -1.77 -0.17 0.00 -2.44 0.00 0.00 57.07 52.58 1xya s TYR 633 Cb -0.14 -1.94 -0.07 0.00 0.35 0.00 0.00 41.96 40.15 1xya s TYR 633 CO 0.04 -0.81 0.57 0.08 -1.34 0.00 0.00 175.55 174.09 1xya s VAL 634 N 1.26 4.77 -0.25 3.14 1.01 -0.64 -1.02 120.40 128.67 1xya s VAL 634 Ca 0.01 1.08 0.01 0.00 0.00 0.00 0.00 61.98 63.09 1xya s VAL 634 Cb -0.15 -3.83 0.07 0.00 0.00 0.00 0.00 36.38 32.46 1xya s VAL 634 CO -0.10 0.41 -0.04 0.00 0.00 0.00 0.00 175.10 175.37 1xya s ALA 635 N -1.27 2.10 -0.40 5.51 0.00 0.16 -4.24 121.76 123.61 1xya s ALA 635 Ca 0.33 -1.55 -0.06 0.00 0.00 0.00 0.00 51.96 50.68 1xya s ALA 635 Cb -0.18 -1.52 0.09 0.00 0.00 0.00 0.00 23.12 21.51 1xya s ALA 635 CO 0.19 -1.28 0.21 -0.46 0.00 0.00 0.00 175.76 174.43 1xya s TRP 636 N 1.32 3.41 -1.39 0.00 -0.00 -1.26 -0.74 118.94 120.27 1xya s TRP 636 Ca -0.03 -1.86 -0.14 0.00 -0.00 0.00 0.00 56.10 54.06 1xya s TRP 636 Cb -0.19 -2.95 -0.00 0.00 -0.00 0.00 0.00 33.47 30.33 1xya s TRP 636 CO -0.07 -0.89 2.30 0.41 -0.00 0.00 0.00 176.95 178.69 1xya n GLY 637 N 4.78 4.16 0.27 5.86 0.00 -1.26 -4.79 105.19 114.21 1xya n GLY 637 Ca -0.08 -1.53 0.16 0.00 0.00 0.00 0.00 46.02 44.58 1xya n GLY 637 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1xya h GLY 638 N 9.97 0.00 -2.30 -0.02 0.00 -1.93 -2.65 103.07 106.14 1xya h GLY 638 Ca 0.59 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.92 1xya h GLY 638 CO 1.87 0.00 0.00 0.54 0.00 0.00 0.00 176.54 178.95 1xya n ARG 639 N -3.21 2.51 -2.86 4.80 5.12 -1.26 -3.96 116.66 117.80 1xya n ARG 639 Ca -0.00 -2.27 -0.43 0.00 -1.93 0.00 0.00 57.85 53.22 1xya n ARG 639 Cb 0.29 -1.51 -0.04 0.00 -1.16 0.00 0.00 32.46 30.03 1xya n ARG 639 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1xya s GLU 640 N -1.55 3.44 0.00 5.56 0.41 -1.00 -2.76 118.70 122.80 1xya s GLU 640 Ca 0.38 -0.03 0.00 0.00 -0.41 0.00 0.00 54.97 54.91 1xya s GLU 640 Cb 0.23 -3.97 0.00 0.00 -1.78 0.00 0.00 34.13 28.61 1xya s GLU 640 CO 0.32 -1.29 0.00 0.41 -0.49 0.00 0.00 175.26 174.21 1xya n GLY 641 N 5.00 -0.04 3.50 -1.39 0.00 -1.26 -1.30 105.19 109.69 1xya n GLY 641 Ca 0.04 -1.19 -0.11 0.00 0.00 0.00 0.00 46.02 44.75 1xya n GLY 641 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xya s ALA 642 N -1.00 -1.78 -0.53 4.61 0.00 -0.86 -4.90 121.76 117.30 1xya s ALA 642 Ca 0.00 1.04 0.19 0.00 0.00 0.00 0.00 51.96 53.18 1xya s ALA 642 Cb 0.00 0.27 -0.24 0.00 0.00 0.00 0.00 23.12 23.15 1xya s ALA 642 CO 0.00 -0.59 0.63 0.39 0.00 0.00 0.00 175.76 176.19 1xya n GLU 643 N 0.08 0.79 -4.08 0.00 4.71 -1.26 -1.99 120.64 118.89 1xya n GLU 643 Ca -0.13 -0.07 -0.08 0.00 -0.01 0.00 0.00 57.16 56.87 1xya n GLU 643 Cb 0.61 -1.40 -0.10 0.00 -1.01 0.00 0.00 31.44 29.54 1xya n GLU 643 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 1xya s SER 644 N -3.31 0.57 0.07 1.62 1.04 -1.26 -4.95 113.70 107.48 1xya s SER 644 Ca 0.01 -0.87 -0.21 0.00 0.48 0.00 0.00 55.95 55.36 1xya s SER 644 Cb 0.13 0.15 -0.11 0.00 0.10 0.00 0.00 66.02 66.29 1xya s SER 644 CO 0.77 -0.49 1.52 1.23 0.98 0.00 0.00 173.24 177.25 1xya h GLY 645 N 3.50 0.30 1.48 7.32 0.00 -1.95 -3.22 103.07 110.50 1xya h GLY 645 Ca -0.34 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 46.78 1xya h GLY 645 CO 0.59 0.19 -0.05 0.00 0.00 0.00 0.00 176.54 177.28 1xya n ALA 646 N -2.29 2.56 0.23 3.60 0.00 -1.26 -3.96 120.51 119.39 1xya n ALA 646 Ca -0.05 -0.17 0.11 0.00 0.00 0.00 0.00 53.44 53.33 1xya n ALA 646 Cb 0.19 -1.44 0.53 0.00 0.00 0.00 0.00 19.45 18.74 1xya n ALA 646 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xya h ALA 647 N 3.37 1.09 -2.89 0.00 0.00 -1.99 -3.41 119.26 115.42 1xya h ALA 647 Ca 0.00 -0.18 -0.30 0.00 0.00 0.00 0.00 54.91 54.42 1xya h ALA 647 Cb 0.35 -0.03 -0.36 0.00 0.00 0.00 0.00 17.79 17.75 1xya h ALA 647 CO 0.00 0.25 -0.63 0.21 0.00 0.00 0.00 179.25 179.08 1xya s LYS 648 N -3.80 0.09 -0.39 0.00 2.47 -1.25 -4.99 119.74 111.87 1xya s LYS 648 Ca -0.00 0.43 -0.29 0.00 -1.56 0.00 0.00 55.97 54.55 1xya s LYS 648 Cb 0.11 -0.63 0.02 0.00 -1.46 0.00 0.00 37.83 35.87 1xya s LYS 648 CO 0.62 -0.43 1.10 0.34 0.16 0.00 0.00 175.35 177.14 1xya s ASP 649 N 2.31 6.79 0.19 1.43 -1.08 -1.26 -4.95 116.67 120.10 1xya s ASP 649 Ca 0.04 0.78 0.06 0.00 -0.52 0.00 0.00 52.55 52.91 1xya s ASP 649 Cb -0.13 -2.54 0.08 0.00 -1.46 0.00 0.00 42.92 38.86 1xya s ASP 649 CO -0.08 -1.05 1.44 0.58 0.52 0.00 0.00 175.17 176.58 1xya h VAL 650 N 5.96 1.53 -0.81 1.11 2.07 -1.98 -0.86 116.25 123.27 1xya h VAL 650 Ca -0.22 -2.62 -0.04 0.00 0.82 0.00 0.00 66.70 64.64 1xya h VAL 650 Cb 1.06 2.43 -0.04 0.00 -1.52 0.00 0.00 31.29 33.22 1xya h VAL 650 CO 1.08 0.76 0.34 0.03 0.02 0.00 0.00 177.57 179.79 1xya h ARG 651 N 0.05 1.20 -0.07 1.57 3.08 -1.99 -0.70 114.38 117.52 1xya h ARG 651 Ca -0.02 -0.21 -0.23 0.00 0.07 0.00 0.00 59.98 59.59 1xya h ARG 651 Cb 1.41 -0.20 0.01 0.00 0.08 0.00 0.00 29.97 31.27 1xya h ARG 651 CO 0.11 0.96 -0.88 0.28 -1.07 0.00 0.00 179.97 179.37 1xya h VAL 652 N 1.18 1.31 -0.91 2.04 2.07 -1.96 -1.62 116.25 118.35 1xya h VAL 652 Ca 0.27 -2.15 0.03 0.00 0.82 0.00 0.00 66.70 65.67 1xya h VAL 652 Cb 0.19 2.19 -0.05 0.00 -1.52 0.00 0.00 31.29 32.10 1xya h VAL 652 CO -0.03 0.67 0.60 0.00 0.02 0.00 0.00 177.57 178.83 1xya h ALA 653 N 0.58 1.41 -0.03 1.67 0.00 -0.96 -0.21 119.26 121.71 1xya h ALA 653 Ca -0.08 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.66 1xya h ALA 653 Cb 1.51 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 1xya h ALA 653 CO 0.17 0.51 -0.55 -0.07 0.00 0.00 0.00 179.25 179.32 1xya h LEU 654 N 1.16 0.11 0.06 0.00 3.38 -0.87 0.15 115.31 119.29 1xya h LEU 654 Ca 0.36 -0.06 0.01 0.00 0.09 0.00 0.00 57.88 58.28 1xya h LEU 654 Cb -0.02 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1xya h LEU 654 CO -0.10 0.64 -0.10 0.44 0.09 0.00 0.00 178.44 179.40 1xya h ASP 655 N 0.08 -0.27 -0.63 -0.43 3.32 -0.36 0.03 116.42 118.15 1xya h ASP 655 Ca -0.00 0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.07 1xya h ASP 655 Cb 0.99 0.10 -0.03 0.00 0.22 0.00 0.00 39.33 40.61 1xya h ASP 655 CO 0.08 -0.15 0.34 0.03 -1.72 0.00 0.00 179.24 177.82 1xya h ARG 656 N -0.20 0.90 -0.01 3.56 2.47 -0.67 -0.18 114.38 120.26 1xya h ARG 656 Ca 0.02 -0.10 -0.00 0.00 -1.26 0.00 0.00 59.98 58.64 1xya h ARG 656 Cb 0.21 -0.18 -0.00 0.00 -1.65 0.00 0.00 29.97 28.35 1xya h ARG 656 CO -0.06 0.68 0.00 1.98 0.56 0.00 0.00 179.97 183.13 1xya h MET 657 N 0.91 0.01 -0.65 0.04 4.05 -0.47 -1.71 114.93 117.11 1xya h MET 657 Ca 0.23 -0.00 0.03 0.00 -0.28 0.00 0.00 59.70 59.68 1xya h MET 657 Cb 0.05 -0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 30.80 1xya h MET 657 CO -0.03 0.29 0.39 -0.22 0.23 0.00 0.00 176.91 177.57 1xya h LYS 658 N -0.27 0.74 -0.65 0.39 3.64 -0.89 -2.15 116.57 117.39 1xya h LYS 658 Ca 0.00 -0.04 0.08 0.00 -1.27 0.00 0.00 60.65 59.42 1xya h LYS 658 Cb 0.28 -0.17 -0.06 0.00 -0.41 0.00 0.00 32.23 31.87 1xya h LYS 658 CO 0.00 0.49 0.31 1.49 -2.27 0.00 0.00 179.45 179.48 1xya h GLU 659 N 0.76 0.54 -0.33 1.90 4.81 -0.88 -0.59 114.58 120.79 1xya h GLU 659 Ca 0.27 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.44 1xya h GLU 659 Cb 0.05 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.29 1xya h GLU 659 CO -0.12 0.36 0.10 0.00 -0.73 0.00 0.00 179.01 178.62 1xya h ALA 660 N 1.39 0.44 -0.23 2.92 0.00 -0.76 -1.52 119.26 121.49 1xya h ALA 660 Ca 0.31 -0.16 -0.17 0.00 0.00 0.00 0.00 54.91 54.89 1xya h ALA 660 Cb 0.30 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 1xya h ALA 660 CO -0.25 0.08 -0.56 0.74 0.00 0.00 0.00 179.25 179.26 1xya h PHE 661 N 0.39 0.88 -0.66 0.00 0.04 -1.23 -1.42 116.94 114.92 1xya h PHE 661 Ca 0.11 -0.32 -0.01 0.00 2.80 0.00 0.00 57.97 60.55 1xya h PHE 661 Cb 0.25 -0.16 -0.03 0.00 2.20 0.00 0.00 35.95 38.21 1xya h PHE 661 CO 0.01 1.09 0.38 -0.44 -0.60 0.00 0.00 178.31 178.75 1xya h ASP 662 N 0.53 0.80 -0.26 2.17 3.32 -1.04 -0.25 116.42 121.69 1xya h ASP 662 Ca 0.01 -0.05 -0.05 0.00 0.02 0.00 0.00 57.03 56.96 1xya h ASP 662 Cb 1.14 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.48 1xya h ASP 662 CO 0.11 0.63 -0.03 0.25 -1.72 0.00 0.00 179.24 178.49 1xya h LEU 663 N 0.91 0.48 -1.09 1.55 7.12 -1.00 -0.83 115.31 122.46 1xya h LEU 663 Ca 0.24 -0.34 -0.07 0.00 0.13 0.00 0.00 57.88 57.84 1xya h LEU 663 Cb -0.00 -0.13 -0.02 0.00 -0.53 0.00 0.00 40.66 39.98 1xya h LEU 663 CO -0.04 0.70 -0.14 -0.07 -0.13 0.00 0.00 178.44 178.76 1xya h LEU 664 N 0.25 0.46 -0.58 2.25 3.38 -1.06 -2.03 115.31 117.98 1xya h LEU 664 Ca 0.07 -0.12 -0.06 0.00 0.09 0.00 0.00 57.88 57.86 1xya h LEU 664 Cb 0.47 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 1xya h LEU 664 CO 0.02 0.63 0.13 1.23 0.09 0.00 0.00 178.44 180.54 1xya h GLY 665 N 0.93 1.00 1.13 0.83 0.00 -0.63 -1.99 103.07 104.35 1xya h GLY 665 Ca 0.08 -0.64 -0.04 0.00 0.00 0.00 0.00 47.33 46.73 1xya h GLY 665 CO 0.03 0.59 0.30 -2.09 0.00 0.00 0.00 176.54 175.38 1xya h GLU 666 N 0.84 1.11 0.08 4.80 4.81 -1.07 -2.03 114.58 123.12 1xya h GLU 666 Ca 0.18 -0.19 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1xya h GLU 666 Cb 0.36 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.56 1xya h GLU 666 CO 0.00 0.89 -0.04 -0.92 -0.73 0.00 0.00 179.01 178.22 1xya h TYR 667 N 1.08 -0.10 -0.10 0.92 3.20 -0.92 -0.22 116.97 120.83 1xya h TYR 667 Ca 0.25 -0.00 -0.12 0.00 3.14 0.00 0.00 58.73 62.00 1xya h TYR 667 Cb 0.19 0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.49 1xya h TYR 667 CO 0.02 0.13 -0.48 -0.39 -1.64 0.00 0.00 178.16 175.80 1xya h VAL 668 N -0.33 1.34 -0.10 1.81 -1.51 -1.36 -1.74 116.25 114.36 1xya h VAL 668 Ca -0.01 -1.70 -0.00 0.00 -1.23 0.00 0.00 66.70 63.76 1xya h VAL 668 Cb 0.28 1.80 -0.00 0.00 -2.13 0.00 0.00 31.29 31.23 1xya h VAL 668 CO 0.02 0.51 0.05 0.74 -1.23 0.00 0.00 177.57 177.65 1xya h THR 669 N 0.21 1.12 -0.14 7.19 2.02 -1.31 -0.37 112.91 121.62 1xya h THR 669 Ca 0.01 -0.35 -0.04 0.00 0.77 0.00 0.00 66.41 66.81 1xya h THR 669 Cb 0.93 1.17 -0.01 0.00 -1.74 0.00 0.00 68.15 68.50 1xya h THR 669 CO 0.08 0.10 -0.07 0.77 0.37 0.00 0.00 175.52 176.77 1xya h SER 670 N 0.03 0.20 0.88 4.18 4.64 -0.76 -1.67 113.55 121.05 1xya h SER 670 Ca 0.03 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1xya h SER 670 Cb 0.13 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 1xya h SER 670 CO -0.00 0.31 -0.29 0.00 -0.87 0.00 0.00 176.83 175.97 1xya n GLN 671 N -4.34 0.10 -2.15 4.77 1.13 -0.68 -4.94 117.38 111.28 1xya n GLN 671 Ca -0.01 0.05 -0.09 0.00 -1.94 0.00 0.00 57.00 55.01 1xya n GLN 671 Cb 0.22 -1.58 -0.00 0.00 0.11 0.00 0.00 30.24 28.98 1xya n GLN 671 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1xya n GLY 672 N 1.44 0.02 3.78 1.08 0.00 -0.28 -5.01 105.19 106.22 1xya n GLY 672 Ca 0.06 -0.52 -0.36 0.00 0.00 0.00 0.00 46.02 45.19 1xya n GLY 672 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xya s TYR 673 N -2.44 3.31 -1.02 1.61 2.02 -0.42 -4.97 117.35 115.44 1xya s TYR 673 Ca 0.00 1.66 -0.04 0.00 -0.37 0.00 0.00 57.07 58.31 1xya s TYR 673 Cb 0.00 -3.09 0.28 0.00 -0.40 0.00 0.00 41.96 38.75 1xya s TYR 673 CO 0.00 -0.51 1.16 -3.47 -1.57 0.00 0.00 175.55 171.16 1xya n ASP 674 N -0.05 5.46 -3.89 2.29 2.03 -1.26 -4.80 116.55 116.33 1xya n ASP 674 Ca 0.05 -3.23 -0.11 0.00 0.52 0.00 0.00 54.79 52.02 1xya n ASP 674 Cb 0.50 -1.22 -0.12 0.00 -0.72 0.00 0.00 41.12 39.56 1xya n ASP 674 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 1xya s THR 675 N -1.97 0.04 0.35 5.18 -1.32 -1.26 -4.69 115.64 111.97 1xya s THR 675 Ca 0.31 -0.34 0.08 0.00 -1.21 0.00 0.00 61.69 60.53 1xya s THR 675 Cb -0.02 -0.17 -0.07 0.00 -1.51 0.00 0.00 72.50 70.73 1xya s THR 675 CO -0.01 -0.19 -0.06 0.00 -2.21 0.00 0.00 174.62 172.15 1xya s ARG 676 N -0.56 1.81 0.02 7.08 1.70 -0.36 -5.00 118.95 123.64 1xya s ARG 676 Ca -0.06 -1.96 0.01 0.00 -0.47 0.00 0.00 55.73 53.25 1xya s ARG 676 Cb -0.04 -1.58 -0.04 0.00 -0.57 0.00 0.00 34.95 32.72 1xya s ARG 676 CO -0.00 0.06 0.04 -0.06 -1.08 0.00 0.00 175.30 174.26 1xya s PHE 677 N -2.72 3.16 -0.09 5.89 0.08 0.03 -0.30 117.98 124.03 1xya s PHE 677 Ca 0.33 0.12 -0.01 0.00 0.12 0.00 0.00 56.93 57.49 1xya s PHE 677 Cb 0.05 -1.68 0.03 0.00 -0.57 0.00 0.00 43.02 40.85 1xya s PHE 677 CO 0.16 0.50 -0.04 0.00 -0.10 0.00 0.00 175.22 175.74 1xya s ALA 678 N -1.19 1.04 -0.11 5.36 0.00 -0.19 -0.83 121.76 125.85 1xya s ALA 678 Ca 0.23 -0.34 -0.27 0.00 0.00 0.00 0.00 51.96 51.58 1xya s ALA 678 Cb -0.12 -0.80 -0.02 0.00 0.00 0.00 0.00 23.12 22.18 1xya s ALA 678 CO 0.14 -0.39 0.87 0.42 0.00 0.00 0.00 175.76 176.80 1xya s ILE 679 N 1.72 4.89 -0.45 0.00 1.01 -0.09 -0.67 121.20 127.61 1xya s ILE 679 Ca 0.03 1.76 -0.16 0.00 0.00 0.00 0.00 60.65 62.28 1xya s ILE 679 Cb -0.13 -4.19 0.05 0.00 0.01 0.00 0.00 42.46 38.21 1xya s ILE 679 CO -0.06 0.09 0.40 -0.70 0.00 0.00 0.00 174.94 174.66 1xya s GLU 680 N 1.67 3.00 0.38 2.79 2.12 0.08 -0.87 118.70 127.87 1xya s GLU 680 Ca 0.43 -1.16 -0.25 0.00 0.36 0.00 0.00 54.97 54.34 1xya s GLU 680 Cb -0.18 -4.07 -0.09 0.00 0.26 0.00 0.00 34.13 30.05 1xya s GLU 680 CO 0.17 -0.96 1.10 -2.14 -0.54 0.00 0.00 175.26 172.89 1xya s PRO 681 N 1.80 4.17 -0.13 4.30 0.02 -1.26 -4.45 135.00 139.46 1xya s PRO 681 Ca 0.06 1.68 -0.08 0.00 0.02 0.00 0.00 61.00 62.68 1xya s PRO 681 Cb -0.22 -2.68 0.05 0.00 0.02 0.00 0.00 34.50 31.67 1xya s PRO 681 CO 0.09 -0.17 0.31 0.21 -0.33 0.00 0.00 177.00 177.11 1xya s LYS 682 N -2.28 0.30 0.14 5.54 2.20 -1.23 -4.70 119.74 119.70 1xya s LYS 682 Ca 0.56 0.58 -0.05 0.00 -0.36 0.00 0.00 55.97 56.70 1xya s LYS 682 Cb -0.27 -0.02 -0.05 0.00 -1.51 0.00 0.00 37.83 35.99 1xya s LYS 682 CO 0.34 -0.13 1.35 -1.00 -0.36 0.00 0.00 175.35 175.54 1xya h PRO 683 N 6.77 0.47 -2.94 4.03 0.13 -1.67 -3.39 132.00 135.39 1xya h PRO 683 Ca -0.36 -0.44 0.06 0.00 -0.87 0.00 0.00 66.00 64.39 1xya h PRO 683 Cb 1.17 0.11 -0.04 0.00 0.13 0.00 0.00 31.00 32.37 1xya h PRO 683 CO 0.34 1.08 0.27 0.54 -0.23 0.00 0.00 178.00 180.00 1xya s ASN 684 N -7.05 -0.18 0.05 1.44 4.22 -1.26 -1.38 114.94 110.78 1xya s ASN 684 Ca -0.06 -0.74 0.00 0.00 -2.14 0.00 0.00 52.86 49.91 1xya s ASN 684 Cb 0.09 0.74 0.00 0.00 1.28 0.00 0.00 41.25 43.36 1xya s ASN 684 CO 0.86 -1.40 0.00 1.21 -2.04 0.00 0.00 177.10 175.73 1xya n GLU 685 N -0.49 -2.23 0.05 3.55 2.13 -1.26 -4.85 120.64 117.53 1xya n GLU 685 Ca -0.05 1.89 0.14 0.00 0.66 0.00 0.00 57.16 59.80 1xya n GLU 685 Cb 0.59 -2.00 0.51 0.00 0.27 0.00 0.00 31.44 30.81 1xya n GLU 685 CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 1xya n PRO 686 N 0.77 0.12 -2.93 5.31 -0.04 -1.25 -5.01 135.00 131.97 1xya n PRO 686 Ca 0.00 0.09 -0.31 0.00 -0.04 0.00 0.00 63.50 63.25 1xya n PRO 686 Cb 0.00 -1.63 -0.04 0.00 -0.04 0.00 0.00 33.50 31.79 1xya n PRO 686 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1xya s ARG 687 N -3.05 3.80 0.25 0.54 1.81 -1.25 -4.99 118.95 116.07 1xya s ARG 687 Ca 0.12 0.47 -0.03 0.00 -1.72 0.00 0.00 55.73 54.58 1xya s ARG 687 Cb 0.16 -2.41 0.46 0.00 -0.45 0.00 0.00 34.95 32.71 1xya s ARG 687 CO 0.57 0.01 1.77 0.78 -0.68 0.00 0.00 175.30 177.75 1xya h GLY 688 N 1.44 1.29 -5.58 -3.53 0.00 -1.90 -3.41 103.07 91.38 1xya h GLY 688 Ca -0.47 -0.26 -0.20 0.00 0.00 0.00 0.00 47.33 46.40 1xya h GLY 688 CO 0.64 0.01 -0.55 0.99 0.00 0.00 0.00 176.54 177.63 1xya s ASP 689 N -5.48 -0.15 -0.03 0.19 1.01 -0.84 -4.69 116.67 106.68 1xya s ASP 689 Ca -0.12 0.30 0.01 0.00 0.71 0.00 0.00 52.55 53.45 1xya s ASP 689 Cb 0.20 0.29 -0.03 0.00 1.01 0.00 0.00 42.92 44.39 1xya s ASP 689 CO 0.78 -0.07 -0.02 -0.63 0.21 0.00 0.00 175.17 175.44 1xya s ILE 690 N 0.28 4.06 0.43 0.77 1.01 -0.48 -2.02 121.20 125.25 1xya s ILE 690 Ca -0.02 -0.52 -0.24 0.00 0.00 0.00 0.00 60.65 59.87 1xya s ILE 690 Cb -0.03 -2.76 -0.08 0.00 0.01 0.00 0.00 42.46 39.60 1xya s ILE 690 CO -0.01 0.46 1.17 -0.76 0.00 0.00 0.00 174.94 175.80 1xya s LEU 691 N -1.28 4.11 -0.99 2.97 1.43 -0.42 -3.61 118.68 120.89 1xya s LEU 691 Ca 0.17 2.33 -0.05 0.00 -1.03 0.00 0.00 54.13 55.54 1xya s LEU 691 Cb -0.11 -4.12 -0.06 0.00 0.03 0.00 0.00 46.19 41.93 1xya s LEU 691 CO 0.07 -0.78 0.87 0.18 0.23 0.00 0.00 176.35 176.92 1xya n LEU 692 N -0.18 -5.83 0.22 1.79 4.77 -1.26 -4.79 117.00 111.72 1xya n LEU 692 Ca 0.06 -0.59 0.15 0.00 -0.03 0.00 0.00 56.01 55.59 1xya n LEU 692 Cb 0.47 -3.22 0.57 0.00 -2.33 0.00 0.00 43.42 38.92 1xya n LEU 692 CO 0.49 -0.13 0.93 1.55 -1.33 0.00 0.00 177.39 178.90 1xya h PRO 693 N -0.79 0.00 -4.56 3.23 0.13 -1.76 -3.33 132.00 124.92 1xya h PRO 693 Ca -0.49 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.38 1xya h PRO 693 Cb 1.25 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.24 1xya h PRO 693 CO 0.41 0.00 -0.56 0.95 -0.23 0.00 0.00 178.00 178.57 1xya s THR 694 N -3.49 0.00 0.28 1.56 -4.23 -1.26 -2.15 115.64 106.34 1xya s THR 694 Ca 0.03 -1.95 0.02 0.00 -1.18 0.00 0.00 61.69 58.61 1xya s THR 694 Cb 0.09 -2.48 0.27 0.00 1.34 0.00 0.00 72.50 71.71 1xya s THR 694 CO 0.50 0.00 1.76 0.58 -0.54 0.00 0.00 174.62 176.92 1xya h VAL 695 N 2.52 0.69 0.04 2.29 2.07 -1.91 -2.11 116.25 119.85 1xya h VAL 695 Ca -0.34 -0.22 -0.00 0.00 0.82 0.00 0.00 66.70 66.96 1xya h VAL 695 Cb 1.25 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 1xya h VAL 695 CO 0.49 0.12 -0.02 1.23 0.02 0.00 0.00 177.57 179.41 1xya h GLY 696 N 0.64 -0.06 0.94 2.17 0.00 -1.96 -0.87 103.07 103.93 1xya h GLY 696 Ca 0.51 0.02 0.02 0.00 0.00 0.00 0.00 47.33 47.88 1xya h GLY 696 CO -0.39 -0.02 0.48 0.45 0.00 0.00 0.00 176.54 177.06 1xya h HIS 697 N -0.13 0.91 -0.44 5.60 -0.00 -1.80 -1.62 115.15 117.67 1xya h HIS 697 Ca -0.01 0.02 -0.05 0.00 -0.00 0.00 0.00 60.37 60.34 1xya h HIS 697 Cb 0.11 -0.30 -0.02 0.00 -0.00 0.00 0.00 27.41 27.20 1xya h HIS 697 CO -0.05 0.55 0.08 0.00 -0.00 0.00 0.00 177.93 178.51 1xya h ALA 698 N 1.30 0.59 -0.84 2.45 0.00 -1.30 -1.89 119.26 119.56 1xya h ALA 698 Ca 0.29 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1xya h ALA 698 Cb -0.05 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.53 1xya h ALA 698 CO -0.09 0.30 0.41 -0.07 0.00 0.00 0.00 179.25 179.81 1xya h LEU 699 N 0.59 1.09 -0.51 0.00 3.38 -0.76 -1.86 115.31 117.25 1xya h LEU 699 Ca 0.14 -0.13 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 1xya h LEU 699 Cb 0.37 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1xya h LEU 699 CO 0.01 0.92 -0.01 0.00 0.09 0.00 0.00 178.44 179.44 1xya h ALA 700 N 1.22 0.69 -0.66 1.53 0.00 -1.28 -3.09 119.26 117.67 1xya h ALA 700 Ca 0.29 -0.29 0.02 0.00 0.00 0.00 0.00 54.91 54.93 1xya h ALA 700 Cb 0.11 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 1xya h ALA 700 CO -0.04 0.51 0.42 0.35 0.00 0.00 0.00 179.25 180.49 1xya h PHE 701 N 0.77 0.78 -0.83 0.00 3.57 -0.93 -2.76 116.94 117.54 1xya h PHE 701 Ca 0.14 0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.74 1xya h PHE 701 Cb 0.53 -0.26 -0.06 0.00 2.79 0.00 0.00 35.95 38.96 1xya h PHE 701 CO 0.04 0.46 0.54 0.82 -2.23 0.00 0.00 178.31 177.94 1xya h ILE 702 N 0.83 1.01 0.00 1.41 2.04 -1.27 -1.23 117.51 120.31 1xya h ILE 702 Ca 0.26 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.82 1xya h ILE 702 Cb -0.01 0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.13 1xya h ILE 702 CO -0.09 0.16 0.00 -0.33 0.00 0.00 0.00 178.15 177.89 1xya h GLU 703 N 0.88 0.00 -0.11 2.37 4.39 -1.48 -0.60 114.58 120.03 1xya h GLU 703 Ca 0.37 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.07 1xya h GLU 703 Cb 0.30 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.95 1xya h GLU 703 CO -0.14 0.00 0.00 0.54 -1.16 0.00 0.00 179.01 178.25 1xya n ARG 704 N -2.57 2.07 -1.93 2.33 3.00 -0.46 -4.95 116.66 114.13 1xya n ARG 704 Ca -0.01 -1.57 -0.31 0.00 -0.01 0.00 0.00 57.85 55.96 1xya n ARG 704 Cb 0.14 -1.47 0.01 0.00 0.00 0.00 0.00 32.46 31.14 1xya n ARG 704 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1xya s LEU 705 N -1.85 3.28 0.20 0.55 1.43 -0.23 -4.98 118.68 117.09 1xya s LEU 705 Ca 0.34 1.46 -0.11 0.00 -1.03 0.00 0.00 54.13 54.79 1xya s LEU 705 Cb 0.20 -4.48 0.16 0.00 0.03 0.00 0.00 46.19 42.11 1xya s LEU 705 CO 0.31 -0.87 1.86 -0.33 0.23 0.00 0.00 176.35 177.55 1xya h GLU 706 N -0.16 0.86 -2.46 1.70 4.39 -1.92 -3.30 114.58 113.69 1xya h GLU 706 Ca -0.44 -0.05 -0.60 0.00 0.34 0.00 0.00 59.36 58.60 1xya h GLU 706 Cb 1.19 -0.19 -0.41 0.00 -0.10 0.00 0.00 28.75 29.23 1xya h GLU 706 CO 0.62 0.57 -0.67 0.54 -1.16 0.00 0.00 179.01 178.90 1xya n ARG 707 N -4.64 1.93 -0.17 2.33 1.74 -1.26 -4.99 116.66 111.59 1xya n ARG 707 Ca 0.07 -4.34 0.21 0.00 -0.77 0.00 0.00 57.85 53.02 1xya n ARG 707 Cb 0.06 -2.10 0.60 0.00 -1.02 0.00 0.00 32.46 29.99 1xya n ARG 707 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 1xya h PRO 708 N 4.64 0.23 0.00 5.56 0.11 -1.80 -2.58 132.00 138.16 1xya h PRO 708 Ca 0.17 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.27 1xya h PRO 708 Cb 0.73 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.79 1xya h PRO 708 CO 0.72 0.15 0.00 1.05 -0.21 0.00 0.00 178.00 179.71 1xya h GLU 709 N 0.23 0.00 0.00 1.05 9.09 -1.94 -1.52 114.58 121.49 1xya h GLU 709 Ca 0.41 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.82 1xya h GLU 709 Cb 1.24 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.34 1xya h GLU 709 CO -0.09 0.00 0.00 1.28 0.05 0.00 0.00 179.01 180.25 1xya n LEU 710 N -3.08 0.00 -4.10 3.06 4.32 -0.97 -4.88 117.00 111.36 1xya n LEU 710 Ca -0.02 0.36 -0.22 0.00 -0.02 0.00 0.00 56.01 56.11 1xya n LEU 710 Cb 0.14 -0.36 -0.15 0.00 -1.62 0.00 0.00 43.42 41.43 1xya n LEU 710 CO 0.22 -0.04 -0.47 -0.31 -1.22 0.00 0.00 177.39 175.57 1xya s TYR 711 N -2.72 1.20 0.00 -1.77 1.51 -0.57 -0.79 117.35 114.21 1xya s TYR 711 Ca 0.21 -0.23 0.00 0.00 -1.01 0.00 0.00 57.07 56.04 1xya s TYR 711 Cb 0.18 -0.77 0.00 0.00 -0.11 0.00 0.00 41.96 41.25 1xya s TYR 711 CO 0.43 -0.02 0.00 0.41 -1.11 0.00 0.00 175.55 175.26 1xya n GLY 712 N 2.73 5.01 3.40 0.71 0.00 -0.01 -4.98 105.19 112.06 1xya n GLY 712 Ca -0.14 -1.34 -0.27 0.00 0.00 0.00 0.00 46.02 44.27 1xya n GLY 712 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1xya s VAL 713 N -0.99 2.27 -0.54 1.61 -7.23 -0.45 -0.91 120.40 114.16 1xya s VAL 713 Ca 0.00 -1.89 0.04 0.00 -1.81 0.00 0.00 61.98 58.31 1xya s VAL 713 Cb 0.00 -2.04 0.14 0.00 0.56 0.00 0.00 36.38 35.04 1xya s VAL 713 CO 0.00 -0.04 0.31 0.21 -0.31 0.00 0.00 175.10 175.27 1xya s ASN 714 N -2.38 4.13 0.45 4.85 2.47 -0.05 -2.57 114.94 121.83 1xya s ASN 714 Ca 0.17 -3.11 -0.23 0.00 0.42 0.00 0.00 52.86 50.12 1xya s ASN 714 Cb -0.09 -1.43 -0.08 0.00 -1.45 0.00 0.00 41.25 38.20 1xya s ASN 714 CO 0.08 -0.20 1.10 -2.84 -3.72 0.00 0.00 177.10 171.51 1xya s PRO 715 N -0.37 3.88 -0.07 0.43 0.02 -1.26 -4.21 135.00 133.43 1xya s PRO 715 Ca 0.20 1.59 0.06 0.00 0.02 0.00 0.00 61.00 62.86 1xya s PRO 715 Cb -0.19 -2.37 -0.01 0.00 0.02 0.00 0.00 34.50 31.95 1xya s PRO 715 CO -0.05 -0.40 -0.25 -2.00 -0.33 0.00 0.00 177.00 173.97 1xya s GLU 716 N -2.77 2.64 0.13 5.54 2.12 -1.26 -0.92 118.70 124.19 1xya s GLU 716 Ca 0.63 -0.89 -0.31 0.00 0.36 0.00 0.00 54.97 54.75 1xya s GLU 716 Cb -0.24 -2.17 -0.08 0.00 0.26 0.00 0.00 34.13 31.90 1xya s GLU 716 CO 0.29 0.33 1.56 0.28 -0.54 0.00 0.00 175.26 177.17 1xya h VAL 717 N 5.22 0.03 -0.22 3.70 2.07 -1.76 -2.65 116.25 122.65 1xya h VAL 717 Ca -0.29 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.20 1xya h VAL 717 Cb 1.19 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 1xya h VAL 717 CO 0.47 0.00 -0.01 1.23 0.02 0.00 0.00 177.57 179.28 1xya h GLY 718 N -0.43 0.34 0.66 2.17 0.00 -1.86 -2.70 103.07 101.25 1xya h GLY 718 Ca 0.08 -0.18 -0.00 0.00 0.00 0.00 0.00 47.33 47.24 1xya h GLY 718 CO -0.55 0.17 -0.00 0.45 0.00 0.00 0.00 176.54 176.61 1xya h HIS 719 N 0.31 0.00 -0.48 5.60 3.86 -1.82 -1.38 115.15 121.25 1xya h HIS 719 Ca 0.07 -0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.21 1xya h HIS 719 Cb 0.22 -0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.67 1xya h HIS 719 CO 0.00 0.34 0.00 0.93 0.86 0.00 0.00 177.93 180.06 1xya h GLU 720 N -0.34 0.79 0.00 2.45 4.39 -1.47 -2.19 114.58 118.21 1xya h GLU 720 Ca 0.00 -0.21 -0.00 0.00 0.34 0.00 0.00 59.36 59.49 1xya h GLU 720 Cb 0.34 -0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 28.89 1xya h GLU 720 CO 0.00 0.80 -0.02 1.96 -1.16 0.00 0.00 179.01 180.59 1xya h GLN 721 N 0.74 0.00 0.00 2.33 4.20 -1.35 -2.03 115.11 119.01 1xya h GLN 721 Ca 0.14 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.85 1xya h GLN 721 Cb 0.45 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.23 1xya h GLN 721 CO 0.02 0.02 0.00 0.52 -0.67 0.00 0.00 178.83 178.71 1xya h MET 722 N 0.00 0.00 -0.50 1.46 2.86 -0.57 -1.76 114.93 116.42 1xya h MET 722 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1xya h MET 722 Cb 0.29 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.95 1xya h MET 722 CO 0.00 0.00 0.00 0.00 1.06 0.00 0.00 176.91 177.97 1xya n ALA 723 N -1.84 2.28 -1.22 6.32 0.00 -0.80 -4.74 120.51 120.51 1xya n ALA 723 Ca 0.02 -1.23 -0.07 0.00 0.00 0.00 0.00 53.44 52.16 1xya n ALA 723 Cb 0.25 -0.63 -0.03 0.00 0.00 0.00 0.00 19.45 19.03 1xya n ALA 723 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xya n GLY 724 N 0.94 0.95 3.91 0.00 0.00 -0.66 -5.01 105.19 105.32 1xya n GLY 724 Ca 0.17 -0.60 -0.27 0.00 0.00 0.00 0.00 46.02 45.32 1xya n GLY 724 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xya s LEU 725 N -1.70 3.80 -0.46 0.99 1.43 -0.96 -4.99 118.68 116.79 1xya s LEU 725 Ca 0.00 0.78 -0.28 0.00 -1.03 0.00 0.00 54.13 53.60 1xya s LEU 725 Cb 0.00 -3.68 0.03 0.00 0.03 0.00 0.00 46.19 42.56 1xya s LEU 725 CO 0.00 -0.44 1.07 0.21 0.23 0.00 0.00 176.35 177.41 1xya s ASN 726 N -3.93 6.62 0.02 2.29 3.84 -1.26 -4.23 114.94 118.29 1xya s ASN 726 Ca 0.45 0.41 -0.25 0.00 0.21 0.00 0.00 52.86 53.69 1xya s ASN 726 Cb -0.10 -2.52 -0.18 0.00 -0.55 0.00 0.00 41.25 37.90 1xya s ASN 726 CO 0.40 -1.16 1.46 0.15 -2.79 0.00 0.00 177.10 175.16 1xya h PHE 727 N 9.08 0.02 -0.90 0.43 3.57 -1.91 -2.16 116.94 125.07 1xya h PHE 727 Ca -0.23 -0.00 0.24 0.00 3.53 0.00 0.00 57.97 61.51 1xya h PHE 727 Cb 1.07 -0.00 -0.14 0.00 2.79 0.00 0.00 35.95 39.66 1xya h PHE 727 CO 0.93 0.30 0.28 -1.35 -2.23 0.00 0.00 178.31 176.24 1xya h PRO 728 N -0.28 0.22 -0.75 6.41 0.11 -1.93 -1.12 132.00 134.66 1xya h PRO 728 Ca 0.00 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 66.06 1xya h PRO 728 Cb 0.30 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 31.32 1xya h PRO 728 CO 0.00 0.15 0.32 0.45 -0.21 0.00 0.00 178.00 178.71 1xya h HIS 729 N 0.23 1.11 -0.37 0.65 3.86 -1.91 -1.28 115.15 117.43 1xya h HIS 729 Ca 0.57 -0.07 -0.15 0.00 -1.16 0.00 0.00 60.37 59.56 1xya h HIS 729 Cb 1.18 -0.34 -0.01 0.00 1.06 0.00 0.00 27.41 29.31 1xya h HIS 729 CO -0.23 0.83 -0.37 0.78 0.86 0.00 0.00 177.93 179.79 1xya h GLY 730 N 1.12 0.98 1.00 2.45 0.00 -0.64 -2.20 103.07 105.78 1xya h GLY 730 Ca 0.25 -1.01 -0.03 0.00 0.00 0.00 0.00 47.33 46.54 1xya h GLY 730 CO -0.03 0.91 0.26 -2.22 0.00 0.00 0.00 176.54 175.47 1xya h ILE 731 N 0.71 1.23 -1.00 2.60 1.08 -1.13 -2.17 117.51 118.82 1xya h ILE 731 Ca 0.06 -0.69 0.04 0.00 -0.39 0.00 0.00 64.86 63.88 1xya h ILE 731 Cb 0.97 0.54 -0.06 0.00 -3.07 0.00 0.00 36.82 35.20 1xya h ILE 731 CO 0.09 0.27 0.66 0.00 -0.69 0.00 0.00 178.15 178.48 1xya h ALA 732 N 1.10 1.34 -0.50 1.87 0.00 -1.02 0.02 119.26 122.07 1xya h ALA 732 Ca 0.21 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 1xya h ALA 732 Cb 0.18 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1xya h ALA 732 CO -0.02 0.54 0.12 0.37 0.00 0.00 0.00 179.25 180.25 1xya h GLN 733 N 1.26 0.81 -0.65 0.00 4.15 -1.11 -0.44 115.11 119.12 1xya h GLN 733 Ca 0.41 -0.20 -0.02 0.00 0.77 0.00 0.00 58.65 59.60 1xya h GLN 733 Cb 0.03 -0.10 -0.03 0.00 0.21 0.00 0.00 27.48 27.58 1xya h GLN 733 CO -0.13 0.78 0.32 0.00 -1.93 0.00 0.00 178.83 177.86 1xya h ALA 734 N 0.99 0.84 -0.54 3.38 0.00 -1.04 -0.83 119.26 122.06 1xya h ALA 734 Ca 0.16 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 1xya h ALA 734 Cb 0.34 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1xya h ALA 734 CO 0.00 0.40 0.09 -0.07 0.00 0.00 0.00 179.25 179.67 1xya h LEU 735 N 0.90 0.86 -1.19 0.00 3.38 -0.88 -0.41 115.31 117.96 1xya h LEU 735 Ca 0.22 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1xya h LEU 735 Cb 0.11 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 1xya h LEU 735 CO -0.03 0.90 0.40 -0.25 0.09 0.00 0.00 178.44 179.54 1xya h TRP 736 N 0.78 0.93 0.00 1.13 7.01 -0.81 -1.77 115.95 123.21 1xya h TRP 736 Ca 0.16 -0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.16 1xya h TRP 736 Cb 0.40 -0.30 0.00 0.00 -2.10 0.00 0.00 29.16 27.16 1xya h TRP 736 CO 0.03 0.64 0.00 0.00 -2.79 0.00 0.00 178.44 176.32 1xya n ALA 737 N -2.43 2.13 -1.90 2.65 0.00 -0.34 -4.92 120.51 115.69 1xya n ALA 737 Ca 0.07 -0.08 -0.08 0.00 0.00 0.00 0.00 53.44 53.35 1xya n ALA 737 Cb 0.09 -1.40 -0.01 0.00 0.00 0.00 0.00 19.45 18.12 1xya n ALA 737 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xya n GLY 738 N 1.05 0.29 0.16 0.00 0.00 -0.67 -4.95 105.19 101.07 1xya n GLY 738 Ca 0.06 -0.60 0.01 0.00 0.00 0.00 0.00 46.02 45.50 1xya n GLY 738 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1xya n LYS 739 N -2.02 2.17 -2.64 1.61 4.76 -0.22 -4.91 118.16 116.91 1xya n LYS 739 Ca -0.09 -1.43 -0.42 0.00 -2.87 0.00 0.00 58.31 53.51 1xya n LYS 739 Cb 0.49 -1.07 -0.03 0.00 -1.84 0.00 0.00 35.03 32.58 1xya n LYS 739 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 1xya s LEU 740 N -0.83 3.82 0.26 -0.35 2.96 -1.21 -1.34 118.68 122.00 1xya s LEU 740 Ca 0.05 -1.49 0.21 0.00 -0.22 0.00 0.00 54.13 52.69 1xya s LEU 740 Cb 0.03 -2.53 0.09 0.00 0.50 0.00 0.00 46.19 44.28 1xya s LEU 740 CO 0.04 -1.44 1.21 -0.26 -1.32 0.00 0.00 176.35 174.58 1xya h PHE 741 N 9.61 0.00 -2.32 5.38 -1.00 -1.85 -3.48 116.94 123.28 1xya h PHE 741 Ca 0.14 0.00 0.12 0.00 2.81 0.00 0.00 57.97 61.04 1xya h PHE 741 Cb 1.02 0.00 -0.13 0.00 3.61 0.00 0.00 35.95 40.44 1xya h PHE 741 CO 1.24 0.11 0.48 -1.58 -1.61 0.00 0.00 178.31 176.95 1xya s HIS 742 N -3.23 -0.30 -0.06 -0.55 2.46 -1.22 -4.90 115.29 107.49 1xya s HIS 742 Ca 0.02 0.12 -0.08 0.00 0.47 0.00 0.00 55.06 55.59 1xya s HIS 742 Cb 0.08 0.56 0.02 0.00 -0.13 0.00 0.00 32.58 33.11 1xya s HIS 742 CO 0.75 -0.62 0.22 -1.50 -2.47 0.00 0.00 174.74 171.12 1xya s ILE 743 N -3.18 0.02 -0.19 0.89 2.07 -1.26 -4.05 121.20 115.50 1xya s ILE 743 Ca 0.07 -0.18 -0.03 0.00 -1.41 0.00 0.00 60.65 59.10 1xya s ILE 743 Cb -0.01 -0.37 -0.01 0.00 0.13 0.00 0.00 42.46 42.20 1xya s ILE 743 CO -0.07 -0.10 -0.07 -1.81 -1.91 0.00 0.00 174.94 170.99 1xya s ASP 744 N -0.31 4.22 -0.14 4.50 1.01 -0.09 -3.31 116.67 122.54 1xya s ASP 744 Ca -0.04 -0.37 -0.05 0.00 0.71 0.00 0.00 52.55 52.81 1xya s ASP 744 Cb -0.03 -1.70 -0.03 0.00 1.01 0.00 0.00 42.92 42.16 1xya s ASP 744 CO 0.01 0.04 0.01 -0.76 0.21 0.00 0.00 175.17 174.68 1xya s LEU 745 N 1.12 3.56 0.00 1.23 1.43 0.69 -2.17 118.68 124.54 1xya s LEU 745 Ca 0.01 0.03 0.00 0.00 -1.03 0.00 0.00 54.13 53.14 1xya s LEU 745 Cb -0.15 -1.86 0.00 0.00 0.03 0.00 0.00 46.19 44.21 1xya s LEU 745 CO -0.01 0.23 0.00 -0.46 0.23 0.00 0.00 176.35 176.34 1xya n ASN 746 N 3.12 0.00 -4.19 2.29 0.23 -1.26 -2.27 115.26 113.19 1xya n ASN 746 Ca -0.17 -0.17 -0.15 0.00 -0.53 0.00 0.00 54.58 53.56 1xya n ASN 746 Cb 0.53 0.00 -0.11 0.00 -2.08 0.00 0.00 39.78 38.12 1xya n ASN 746 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 1xya s GLY 747 N -0.47 0.87 -0.13 4.83 0.00 0.20 -4.40 107.32 108.22 1xya s GLY 747 Ca 0.00 -1.22 -0.07 0.00 0.00 0.00 0.00 44.72 43.43 1xya s GLY 747 CO 0.00 -1.29 0.31 1.62 0.00 0.00 0.00 173.10 173.74 1xya s GLN 748 N -2.85 0.29 -1.03 2.90 2.00 -1.26 -1.50 119.66 118.21 1xya s GLN 748 Ca 0.06 0.62 -0.02 0.00 -2.00 0.00 0.00 55.36 54.02 1xya s GLN 748 Cb -0.03 -0.06 0.31 0.00 0.80 0.00 0.00 33.01 34.03 1xya s GLN 748 CO 0.00 -0.15 1.49 -1.13 -0.50 0.00 0.00 175.29 175.00 1xya n SER 749 N 4.14 6.40 0.00 6.67 3.41 -1.26 -3.34 113.62 129.64 1xya n SER 749 Ca -0.24 -3.48 0.00 0.00 -0.26 0.00 0.00 58.87 54.89 1xya n SER 749 Cb 0.54 -1.19 0.00 0.00 -0.26 0.00 0.00 64.21 63.30 1xya n SER 749 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xya n GLY 750 N 0.95 -2.57 3.51 5.00 0.00 -1.26 -4.84 105.19 105.98 1xya n GLY 750 Ca 0.31 -2.10 -0.43 0.00 0.00 0.00 0.00 46.02 43.80 1xya n GLY 750 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xya s ILE 751 N -0.39 4.51 0.04 -0.61 1.01 -1.26 -4.57 121.20 119.93 1xya s ILE 751 Ca 0.00 0.19 -0.06 0.00 0.00 0.00 0.00 60.65 60.78 1xya s ILE 751 Cb 0.00 -4.46 0.02 0.00 0.01 0.00 0.00 42.46 38.03 1xya s ILE 751 CO 0.00 -0.99 0.30 2.29 0.00 0.00 0.00 174.94 176.53 1xya n LYS 752 N 7.13 0.16 -1.24 2.79 2.85 -1.26 -5.10 118.16 123.48 1xya n LYS 752 Ca 0.01 -0.38 -0.36 0.00 -1.05 0.00 0.00 58.31 56.52 1xya n LYS 752 Cb 0.47 0.53 0.07 0.00 -0.65 0.00 0.00 35.03 35.45 1xya n LYS 752 CO 0.00 0.00 0.00 2.48 -0.05 0.00 0.00 177.40 179.83 1xya n TYR 753 N -0.21 -0.95 -2.28 5.58 4.11 -1.26 -4.85 117.16 117.29 1xya n TYR 753 Ca -0.00 0.34 -0.43 0.00 -0.00 0.00 0.00 57.90 57.82 1xya n TYR 753 Cb 0.16 -1.90 -0.02 0.00 -0.00 0.00 0.00 39.34 37.58 1xya n TYR 753 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.86 177.20 1xya s ASP 754 N -1.46 6.18 0.01 9.48 2.15 -1.26 -4.89 116.67 126.88 1xya s ASP 754 Ca 0.65 0.81 -0.04 0.00 0.43 0.00 0.00 52.55 54.40 1xya s ASP 754 Cb -0.35 -2.54 -0.28 0.00 -0.30 0.00 0.00 42.92 39.45 1xya s ASP 754 CO 0.59 -1.56 0.88 1.56 -0.17 0.00 0.00 175.17 176.47 1xya h GLN 755 N 11.31 0.27 -5.94 4.34 4.20 -1.89 -3.49 115.11 123.92 1xya h GLN 755 Ca -0.28 -0.46 -0.40 0.00 0.06 0.00 0.00 58.65 57.56 1xya h GLN 755 Cb 1.12 0.17 0.10 0.00 0.30 0.00 0.00 27.48 29.16 1xya h GLN 755 CO 1.09 1.15 -0.74 -0.25 -0.67 0.00 0.00 178.83 179.41 1xya n ASP 756 N -3.48 -4.27 -4.67 1.46 8.00 -1.23 -4.69 116.55 107.67 1xya n ASP 756 Ca -0.16 -0.65 -0.30 0.00 0.71 0.00 0.00 54.79 54.38 1xya n ASP 756 Cb 1.05 -4.67 0.16 0.00 -0.02 0.00 0.00 41.12 37.64 1xya n ASP 756 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1xya s LEU 757 N -6.99 2.46 0.62 0.64 1.43 -0.56 -0.61 118.68 115.66 1xya s LEU 757 Ca 0.38 1.90 -0.18 0.00 -1.03 0.00 0.00 54.13 55.21 1xya s LEU 757 Cb -0.18 -4.27 -0.02 0.00 0.03 0.00 0.00 46.19 41.75 1xya s LEU 757 CO 0.76 -3.02 1.20 0.00 0.23 0.00 0.00 176.35 175.53 1xya s ARG 758 N -4.71 2.83 0.33 1.70 1.70 -1.26 -0.63 118.95 118.91 1xya s ARG 758 Ca 0.65 1.79 -0.29 0.00 -0.47 0.00 0.00 55.73 57.42 1xya s ARG 758 Cb -0.21 -1.91 -0.11 0.00 -0.57 0.00 0.00 34.95 32.14 1xya s ARG 758 CO 0.59 -1.31 1.53 0.12 -1.08 0.00 0.00 175.30 175.15 1xya s PHE 759 N -1.70 2.68 0.00 5.89 5.36 -1.26 -2.08 117.98 126.87 1xya s PHE 759 Ca 0.76 0.99 0.00 0.00 -0.96 0.00 0.00 56.93 57.72 1xya s PHE 759 Cb -0.30 -4.03 0.00 0.00 -0.34 0.00 0.00 43.02 38.35 1xya s PHE 759 CO 0.35 -3.24 0.00 0.41 -1.46 0.00 0.00 175.22 171.28 1xya n GLY 760 N 1.29 2.71 3.79 13.12 0.00 -1.26 -4.44 105.19 120.40 1xya n GLY 760 Ca 0.04 -0.52 -0.29 0.00 0.00 0.00 0.00 46.02 45.25 1xya n GLY 760 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xya s ALA 761 N -1.50 2.04 0.00 4.61 0.00 -0.88 -4.23 121.76 121.79 1xya s ALA 761 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 51.96 51.64 1xya s ALA 761 Cb 0.00 -3.08 0.00 0.00 0.00 0.00 0.00 23.12 20.04 1xya s ALA 761 CO 0.00 -1.97 0.00 0.41 0.00 0.00 0.00 175.76 174.20 1xya n GLY 762 N -2.10 0.97 3.48 0.00 0.00 -1.26 -4.05 105.19 102.22 1xya n GLY 762 Ca 0.07 -0.92 -0.43 0.00 0.00 0.00 0.00 46.02 44.74 1xya n GLY 762 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1xya s ASP 763 N -4.00 6.32 0.17 1.61 -1.08 -1.21 -4.89 116.67 113.59 1xya s ASP 763 Ca 0.00 -1.24 -0.11 0.00 -0.52 0.00 0.00 52.55 50.68 1xya s ASP 763 Cb 0.00 -2.45 0.06 0.00 -1.46 0.00 0.00 42.92 39.07 1xya s ASP 763 CO 0.00 -1.40 1.66 0.25 0.52 0.00 0.00 175.17 176.20 1xya h LEU 764 N 11.47 0.91 -0.97 -1.34 5.85 -1.82 -2.24 115.31 127.17 1xya h LEU 764 Ca -0.12 -0.26 -0.04 0.00 0.84 0.00 0.00 57.88 58.30 1xya h LEU 764 Cb 1.05 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.81 1xya h LEU 764 CO 1.20 0.94 0.27 0.03 -0.34 0.00 0.00 178.44 180.54 1xya h ARG 765 N 0.85 1.02 -0.42 1.25 2.47 -1.93 -1.73 114.38 115.89 1xya h ARG 765 Ca 0.18 -0.17 -0.03 0.00 -1.26 0.00 0.00 59.98 58.70 1xya h ARG 765 Cb 0.41 -0.17 -0.02 0.00 -1.65 0.00 0.00 29.97 28.54 1xya h ARG 765 CO 0.01 0.83 0.15 0.00 0.56 0.00 0.00 179.97 181.52 1xya h ALA 766 N 1.30 1.48 -0.58 0.04 0.00 -1.93 -1.12 119.26 118.45 1xya h ALA 766 Ca 0.23 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 1xya h ALA 766 Cb 0.20 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1xya h ALA 766 CO -0.02 0.40 -0.04 0.00 0.00 0.00 0.00 179.25 179.58 1xya h ALA 767 N 1.57 0.83 -0.02 0.00 0.00 -0.78 -1.14 119.26 119.71 1xya h ALA 767 Ca 0.14 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 1xya h ALA 767 Cb 0.15 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 1xya h ALA 767 CO -0.01 0.67 0.01 0.35 0.00 0.00 0.00 179.25 180.27 1xya h PHE 768 N 0.94 0.03 -0.20 0.00 3.57 -0.56 -1.35 116.94 119.37 1xya h PHE 768 Ca 0.16 -0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.57 1xya h PHE 768 Cb 0.60 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.32 1xya h PHE 768 CO 0.04 0.11 -0.25 -1.49 -2.23 0.00 0.00 178.31 174.50 1xya h TRP 769 N -0.06 0.40 -0.31 0.41 -0.00 -1.17 -1.71 115.95 113.50 1xya h TRP 769 Ca 0.01 -0.08 -0.02 0.00 -0.00 0.00 0.00 58.89 58.80 1xya h TRP 769 Cb 0.09 -0.10 -0.01 0.00 -0.00 0.00 0.00 29.16 29.14 1xya h TRP 769 CO -0.05 0.59 0.11 1.25 -0.00 0.00 0.00 178.44 180.34 1xya h LEU 770 N 0.33 0.44 -0.56 -4.49 5.85 -0.99 -1.50 115.31 114.39 1xya h LEU 770 Ca 0.05 -0.19 -0.10 0.00 0.84 0.00 0.00 57.88 58.49 1xya h LEU 770 Cb 0.61 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.51 1xya h LEU 770 CO 0.04 0.51 -0.03 0.58 -0.34 0.00 0.00 178.44 179.20 1xya h VAL 771 N 0.35 1.27 -0.74 1.05 2.07 -0.87 -0.22 116.25 119.16 1xya h VAL 771 Ca 0.10 -1.17 0.06 0.00 0.82 0.00 0.00 66.70 66.51 1xya h VAL 771 Cb 0.22 0.90 -0.06 0.00 -1.52 0.00 0.00 31.29 30.83 1xya h VAL 771 CO -0.01 0.42 0.43 -0.78 0.02 0.00 0.00 177.57 177.66 1xya h ASP 772 N 0.89 0.66 -0.10 0.57 3.58 -1.28 0.39 116.42 121.15 1xya h ASP 772 Ca 0.15 0.02 -0.03 0.00 0.42 0.00 0.00 57.03 57.60 1xya h ASP 772 Cb 0.59 -0.11 -0.00 0.00 1.72 0.00 0.00 39.33 41.52 1xya h ASP 772 CO 0.03 0.43 -0.06 0.25 -2.88 0.00 0.00 179.24 177.02 1xya h LEU 773 N 0.80 0.22 -0.34 2.28 6.46 -0.57 -0.81 115.31 123.34 1xya h LEU 773 Ca 0.33 -0.43 0.02 0.00 -0.12 0.00 0.00 57.88 57.67 1xya h LEU 773 Cb 0.17 -0.06 -0.02 0.00 -0.73 0.00 0.00 40.66 40.02 1xya h LEU 773 CO -0.18 0.60 0.19 -0.07 -0.62 0.00 0.00 178.44 178.37 1xya h LEU 774 N -0.16 0.30 -0.29 2.25 3.38 -0.71 0.80 115.31 120.88 1xya h LEU 774 Ca 0.02 0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.89 1xya h LEU 774 Cb 0.52 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 1xya h LEU 774 CO 0.02 0.22 -0.22 -0.33 0.09 0.00 0.00 178.44 178.22 1xya h GLU 775 N 0.39 0.67 0.00 1.13 4.39 -0.98 -1.37 114.58 118.81 1xya h GLU 775 Ca 0.14 -0.33 -0.05 0.00 0.34 0.00 0.00 59.36 59.46 1xya h GLU 775 Cb 0.02 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.66 1xya h GLU 775 CO -0.07 0.93 -0.24 0.66 -1.16 0.00 0.00 179.01 179.13 1xya h SER 776 N 0.42 0.00 0.13 1.42 4.64 -0.99 -2.74 113.55 116.43 1xya h SER 776 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1xya h SER 776 Cb 0.77 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.86 1xya h SER 776 CO 0.06 0.24 -0.06 0.00 -0.87 0.00 0.00 176.83 176.20 1xya n ALA 777 N -2.19 2.70 -2.99 5.18 0.00 0.26 -4.95 120.51 118.54 1xya n ALA 777 Ca 0.02 -0.33 -0.17 0.00 0.00 0.00 0.00 53.44 52.96 1xya n ALA 777 Cb 0.53 -1.30 0.04 0.00 0.00 0.00 0.00 19.45 18.72 1xya n ALA 777 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xya n GLY 778 N 1.18 -0.19 3.74 0.00 0.00 -0.98 -4.96 105.19 103.98 1xya n GLY 778 Ca 0.18 -0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 1xya n GLY 778 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1xya s TYR 779 N -3.09 2.83 -0.54 1.61 5.04 -0.55 -4.91 117.35 117.74 1xya s TYR 779 Ca 0.30 0.71 0.05 0.00 -2.44 0.00 0.00 57.07 55.68 1xya s TYR 779 Cb -0.13 -4.05 0.09 0.00 0.35 0.00 0.00 41.96 38.22 1xya s TYR 779 CO 0.37 -3.64 0.88 0.39 -1.34 0.00 0.00 175.55 172.21 1xya n GLU 780 N 2.68 1.24 -1.74 4.97 1.02 -1.26 -4.91 120.64 122.64 1xya n GLU 780 Ca 0.10 -1.26 -0.26 0.00 -0.02 0.00 0.00 57.16 55.73 1xya n GLU 780 Cb 0.37 -1.11 0.18 0.00 -0.02 0.00 0.00 31.44 30.86 1xya n GLU 780 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xya n GLY 781 N 0.14 -1.32 3.76 0.62 0.00 -1.26 -5.02 105.19 102.11 1xya n GLY 781 Ca 0.04 -1.73 -0.37 0.00 0.00 0.00 0.00 46.02 43.96 1xya n GLY 781 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1xya s PRO 782 N -5.53 3.24 -0.90 1.61 0.02 -1.26 -4.96 135.00 127.22 1xya s PRO 782 Ca 0.66 1.95 -0.15 0.00 0.02 0.00 0.00 61.00 63.48 1xya s PRO 782 Cb -0.02 -2.17 0.19 0.00 0.02 0.00 0.00 34.50 32.53 1xya s PRO 782 CO 0.46 -1.02 0.94 1.03 -0.33 0.00 0.00 177.00 178.08 1xya s ARG 783 N -3.01 3.68 -0.04 5.54 3.00 -0.05 -4.33 118.95 123.73 1xya s ARG 783 Ca 0.72 -2.31 -0.15 0.00 0.00 0.00 0.00 55.73 53.98 1xya s ARG 783 Cb -0.33 -4.62 -0.05 0.00 0.00 0.00 0.00 34.95 29.94 1xya s ARG 783 CO 0.38 -1.46 0.40 -1.58 0.00 0.00 0.00 175.30 173.05 1xya s HIS 784 N 0.90 3.66 -0.27 -0.53 2.46 -1.21 -1.79 115.29 118.51 1xya s HIS 784 Ca 0.25 0.93 -0.08 0.00 0.47 0.00 0.00 55.06 56.63 1xya s HIS 784 Cb -0.08 -2.34 -0.01 0.00 -0.13 0.00 0.00 32.58 30.02 1xya s HIS 784 CO -0.09 0.52 0.09 -0.06 -2.47 0.00 0.00 174.74 172.73 1xya s PHE 785 N -0.61 3.12 -0.57 3.88 0.08 0.45 -0.22 117.98 124.11 1xya s PHE 785 Ca 0.23 -0.63 -0.02 0.00 0.12 0.00 0.00 56.93 56.62 1xya s PHE 785 Cb -0.16 -2.26 0.15 0.00 -0.57 0.00 0.00 43.02 40.18 1xya s PHE 785 CO 0.12 -0.45 0.38 0.34 -0.10 0.00 0.00 175.22 175.51 1xya s ASP 786 N 1.58 5.20 0.29 1.36 -1.08 -0.96 -3.63 116.67 119.42 1xya s ASP 786 Ca 0.05 -2.68 0.03 0.00 -0.52 0.00 0.00 52.55 49.43 1xya s ASP 786 Cb -0.16 -1.84 -0.04 0.00 -1.46 0.00 0.00 42.92 39.43 1xya s ASP 786 CO 0.04 -0.40 0.18 0.72 0.52 0.00 0.00 175.17 176.22 1xya s PHE 787 N 0.19 1.56 -0.09 -5.34 -0.71 -1.26 -4.63 117.98 107.70 1xya s PHE 787 Ca 0.15 -1.43 -0.00 0.00 -1.04 0.00 0.00 56.93 54.61 1xya s PHE 787 Cb -0.21 -0.78 0.02 0.00 -1.21 0.00 0.00 43.02 40.84 1xya s PHE 787 CO -0.03 -0.60 -0.05 0.15 -1.34 0.00 0.00 175.22 173.34 1xya s LYS 788 N -3.81 1.15 0.13 1.99 1.02 0.22 -4.36 119.74 116.09 1xya s LYS 788 Ca 0.37 -0.13 -0.31 0.00 0.02 0.00 0.00 55.97 55.91 1xya s LYS 788 Cb 0.05 -1.27 -0.10 0.00 -0.52 0.00 0.00 37.83 35.99 1xya s LYS 788 CO 0.18 -0.22 1.64 -2.14 -0.92 0.00 0.00 175.35 173.89 1xya s PRO 789 N 1.58 4.19 0.34 -1.68 0.02 -1.26 -4.64 135.00 133.56 1xya s PRO 789 Ca 0.01 2.40 -0.25 0.00 0.02 0.00 0.00 61.00 63.18 1xya s PRO 789 Cb -0.13 -3.34 -0.14 0.00 0.02 0.00 0.00 34.50 30.91 1xya s PRO 789 CO -0.05 -0.69 0.69 -2.30 -0.33 0.00 0.00 177.00 174.32 1xya n PRO 790 N 4.70 0.72 0.00 5.54 -0.02 -1.26 -4.85 135.00 139.84 1xya n PRO 790 Ca 0.15 0.26 0.09 0.00 -2.02 0.00 0.00 63.50 61.98 1xya n PRO 790 Cb 0.39 -1.53 0.50 0.00 -0.02 0.00 0.00 33.50 32.84 1xya n PRO 790 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 1xya n ARG 791 N 0.69 0.37 0.29 -0.52 1.85 -1.26 -1.87 116.66 116.21 1xya n ARG 791 Ca 0.12 0.08 0.19 0.00 -1.00 0.00 0.00 57.85 57.23 1xya n ARG 791 Cb 0.35 -1.50 0.84 0.00 -1.05 0.00 0.00 32.46 31.09 1xya n ARG 791 CO 0.00 0.00 0.00 1.79 -0.01 0.00 0.00 177.63 179.41 1xya h THR 792 N 0.00 0.01 -3.28 8.89 1.35 -1.97 -3.45 112.91 114.46 1xya h THR 792 Ca 0.00 -0.38 -0.57 0.00 -0.55 0.00 0.00 66.41 64.92 1xya h THR 792 Cb 0.12 1.37 -0.04 0.00 -1.73 0.00 0.00 68.15 67.87 1xya h THR 792 CO 0.00 0.00 -0.04 -1.61 -0.25 0.00 0.00 175.52 173.62 1xya s GLU 793 N -3.81 4.14 0.00 4.72 0.41 -0.78 -5.12 118.70 118.26 1xya s GLU 793 Ca -0.01 0.68 0.00 0.00 -0.41 0.00 0.00 54.97 55.23 1xya s GLU 793 Cb 0.10 -3.13 0.00 0.00 -1.78 0.00 0.00 34.13 29.32 1xya s GLU 793 CO 0.51 0.58 0.00 -0.40 -0.49 0.00 0.00 175.26 175.46 1xya n ASP 794 N 1.40 0.00 0.23 -0.19 5.68 -1.26 -4.83 116.55 117.58 1xya n ASP 794 Ca -0.08 -0.88 0.08 0.00 -0.50 0.00 0.00 54.79 53.40 1xya n ASP 794 Cb 0.51 0.00 0.57 0.00 -1.14 0.00 0.00 41.12 41.06 1xya n ASP 794 CO 0.00 0.00 0.00 -0.29 -1.33 0.00 0.00 177.20 175.58 1xya h ILE 795 N -0.67 0.93 -0.02 2.12 6.09 -2.00 -1.91 117.51 122.06 1xya h ILE 795 Ca 0.00 -0.68 -0.13 0.00 -1.37 0.00 0.00 64.86 62.68 1xya h ILE 795 Cb 0.00 1.39 -0.02 0.00 0.47 0.00 0.00 36.82 38.66 1xya h ILE 795 CO 0.00 0.18 -0.60 0.44 -3.07 0.00 0.00 178.15 175.10 1xya h ASP 796 N 0.00 0.09 0.51 2.19 3.32 -2.00 -2.38 116.42 118.15 1xya h ASP 796 Ca -0.00 -0.05 -0.11 0.00 0.02 0.00 0.00 57.03 56.89 1xya h ASP 796 Cb 0.37 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.88 1xya h ASP 796 CO 0.02 0.67 -0.52 1.23 -1.72 0.00 0.00 179.24 178.92 1xya h GLY 797 N 1.70 0.00 0.94 2.75 0.00 -1.73 -1.62 103.07 105.11 1xya h GLY 797 Ca -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.32 1xya h GLY 797 CO 0.08 0.00 0.03 -2.08 0.00 0.00 0.00 176.54 174.57 1xya h VAL 798 N 0.00 1.06 -0.01 4.60 2.07 -0.86 0.16 116.25 123.28 1xya h VAL 798 Ca -0.00 -0.17 -0.14 0.00 0.82 0.00 0.00 66.70 67.21 1xya h VAL 798 Cb 0.92 1.09 -0.02 0.00 -1.52 0.00 0.00 31.29 31.76 1xya h VAL 798 CO 0.07 0.05 -0.66 -0.50 0.02 0.00 0.00 177.57 176.55 1xya h TRP 799 N 0.00 0.03 -0.27 1.57 -0.00 -1.48 -1.63 115.95 114.18 1xya h TRP 799 Ca 0.02 -0.01 -0.00 0.00 -0.00 0.00 0.00 58.89 58.89 1xya h TRP 799 Cb 0.06 -0.01 -0.01 0.00 -0.00 0.00 0.00 29.16 29.20 1xya h TRP 799 CO -0.05 0.67 0.15 0.00 -0.00 0.00 0.00 178.44 179.21 1xya h ALA 800 N 1.32 0.35 -0.36 1.49 0.00 -1.14 -0.78 119.26 120.15 1xya h ALA 800 Ca -0.01 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1xya h ALA 800 Cb 1.16 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 1xya h ALA 800 CO 0.09 -0.13 0.23 1.03 0.00 0.00 0.00 179.25 180.47 1xya h SER 801 N 0.33 0.42 -0.85 0.00 0.87 -0.78 -1.69 113.55 111.85 1xya h SER 801 Ca 0.10 -0.02 0.03 0.00 -1.23 0.00 0.00 61.79 60.66 1xya h SER 801 Cb 0.06 -0.10 -0.05 0.00 -0.44 0.00 0.00 62.40 61.86 1xya h SER 801 CO -0.02 0.31 0.55 0.00 -0.53 0.00 0.00 176.83 177.15 1xya h ALA 802 N 1.12 1.10 -0.55 6.23 0.00 -1.21 -2.41 119.26 123.54 1xya h ALA 802 Ca 0.13 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 1xya h ALA 802 Cb -0.04 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.42 1xya h ALA 802 CO -0.03 0.41 -0.03 0.00 0.00 0.00 0.00 179.25 179.60 1xya h ALA 803 N 1.34 0.92 -0.39 0.00 0.00 -0.95 -2.94 119.26 117.25 1xya h ALA 803 Ca 0.33 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1xya h ALA 803 Cb -0.03 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1xya h ALA 803 CO -0.10 0.64 0.07 0.78 0.00 0.00 0.00 179.25 180.64 1xya h GLY 804 N 0.99 0.62 0.12 0.00 0.00 -0.99 -1.19 103.07 102.62 1xya h GLY 804 Ca 0.16 -0.34 0.05 0.00 0.00 0.00 0.00 47.33 47.20 1xya h GLY 804 CO 0.03 0.32 -0.30 0.00 0.00 0.00 0.00 176.54 176.59 1xya h MET 806 N -0.34 0.53 -0.76 0.00 2.86 -1.50 -2.73 114.93 112.99 1xya h MET 806 Ca 0.11 -0.23 0.08 0.00 -2.06 0.00 0.00 59.70 57.60 1xya h MET 806 Cb 0.52 -0.02 -0.07 0.00 0.06 0.00 0.00 31.60 32.10 1xya h MET 806 CO -0.38 0.78 0.42 -0.09 1.06 0.00 0.00 176.91 178.70 1xya h ARG 807 N 0.26 0.72 -0.30 1.72 2.43 -1.15 -1.59 114.38 116.46 1xya h ARG 807 Ca 0.06 -0.04 -0.13 0.00 -0.81 0.00 0.00 59.98 59.06 1xya h ARG 807 Cb 0.62 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.00 1xya h ARG 807 CO 0.04 0.47 -0.33 -0.91 -1.51 0.00 0.00 179.97 177.74 1xya h ASN 808 N 0.74 0.69 -0.23 -3.80 -0.26 -1.01 -0.79 115.58 110.91 1xya h ASN 808 Ca 0.35 -0.28 -0.01 0.00 -0.56 0.00 0.00 56.30 55.80 1xya h ASN 808 Cb 0.29 -0.19 -0.01 0.00 -1.06 0.00 0.00 38.32 37.35 1xya h ASN 808 CO -0.22 0.96 0.09 0.22 -1.06 0.00 0.00 177.43 177.42 1xya h TYR 809 N 0.56 0.35 -0.71 1.19 5.03 -1.12 -1.29 116.97 120.98 1xya h TYR 809 Ca 0.06 -0.03 -0.06 0.00 2.58 0.00 0.00 58.73 61.28 1xya h TYR 809 Cb 0.83 -0.11 -0.03 0.00 1.55 0.00 0.00 36.73 38.97 1xya h TYR 809 CO 0.04 0.38 0.20 -0.07 -1.32 0.00 0.00 178.16 177.39 1xya h LEU 810 N 0.22 1.05 -0.05 2.82 3.38 -1.04 0.03 115.31 121.72 1xya h LEU 810 Ca 0.08 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 1xya h LEU 810 Cb 0.18 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.65 1xya h LEU 810 CO -0.01 0.99 0.03 0.40 0.09 0.00 0.00 178.44 179.94 1xya h ILE 811 N 1.07 1.05 -0.13 1.22 2.04 -1.09 -2.26 117.51 119.41 1xya h ILE 811 Ca 0.23 -0.14 -0.07 0.00 1.00 0.00 0.00 64.86 65.88 1xya h ILE 811 Cb 0.33 1.05 -0.01 0.00 -0.74 0.00 0.00 36.82 37.45 1xya h ILE 811 CO -0.00 0.04 -0.23 -0.07 0.00 0.00 0.00 178.15 177.89 1xya h LEU 812 N 0.02 0.21 -0.49 1.44 3.38 -0.89 -1.47 115.31 117.52 1xya h LEU 812 Ca 0.02 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 1xya h LEU 812 Cb 0.04 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 1xya h LEU 812 CO -0.00 0.45 0.21 0.50 0.09 0.00 0.00 178.44 179.69 1xya h LYS 813 N 0.20 0.72 -0.12 1.13 3.64 -0.89 0.52 116.57 121.77 1xya h LYS 813 Ca 0.03 -0.12 -0.01 0.00 -1.27 0.00 0.00 60.65 59.29 1xya h LYS 813 Cb 0.51 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.21 1xya h LYS 813 CO 0.04 0.62 0.04 1.49 -2.27 0.00 0.00 179.45 179.36 1xya h GLU 814 N 0.64 0.18 -0.44 1.90 4.81 -0.85 -1.91 114.58 118.91 1xya h GLU 814 Ca 0.17 -0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 59.29 1xya h GLU 814 Cb 0.16 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.49 1xya h GLU 814 CO -0.02 0.32 -0.00 0.00 -0.73 0.00 0.00 179.01 178.58 1xya h ARG 815 N 0.00 0.73 -0.37 1.92 2.47 -1.04 -1.56 114.38 116.53 1xya h ARG 815 Ca 0.04 -0.19 -0.07 0.00 -1.26 0.00 0.00 59.98 58.50 1xya h ARG 815 Cb 0.22 -0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 28.44 1xya h ARG 815 CO -0.00 0.74 -0.03 0.00 0.56 0.00 0.00 179.97 181.25 1xya h ALA 816 N 1.31 0.51 -0.18 0.04 0.00 -0.83 -1.56 119.26 118.55 1xya h ALA 816 Ca 0.14 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1xya h ALA 816 Cb 0.43 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1xya h ALA 816 CO 0.02 0.30 0.08 0.00 0.00 0.00 0.00 179.25 179.65 1xya h ALA 817 N 0.86 0.24 -0.85 0.00 0.00 -1.28 -1.59 119.26 116.63 1xya h ALA 817 Ca 0.10 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 54.97 1xya h ALA 817 Cb 0.51 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.17 1xya h ALA 817 CO 0.02 -0.19 0.54 0.00 0.00 0.00 0.00 179.25 179.62 1xya h ALA 818 N 0.94 1.15 0.24 0.00 0.00 -1.21 -1.34 119.26 119.05 1xya h ALA 818 Ca 0.06 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1xya h ALA 818 Cb 0.14 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1xya h ALA 818 CO -0.01 0.32 -0.20 0.35 0.00 0.00 0.00 179.25 179.72 1xya h PHE 819 N 1.01 -0.52 0.00 0.00 3.57 -1.04 -2.09 116.94 117.87 1xya h PHE 819 Ca 0.36 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.82 1xya h PHE 819 Cb 0.10 0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.03 1xya h PHE 819 CO -0.03 -0.30 -0.19 0.00 -2.23 0.00 0.00 178.31 175.56 1xya h ARG 820 N -0.45 0.00 0.00 1.11 2.47 -1.08 -2.66 114.38 113.77 1xya h ARG 820 Ca -0.01 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.71 1xya h ARG 820 Cb 0.40 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.72 1xya h ARG 820 CO -0.02 0.19 -0.08 0.00 0.56 0.00 0.00 179.97 180.62 1xya h ALA 821 N 1.81 0.96 -2.24 0.04 0.00 -0.88 -3.44 119.26 115.50 1xya h ALA 821 Ca -0.00 0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.35 1xya h ALA 821 Cb 0.41 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1xya h ALA 821 CO 0.02 0.00 1.00 0.34 0.00 0.00 0.00 179.25 180.61 1xya s ASP 822 N -5.55 6.78 0.35 0.00 -1.08 -0.82 -4.90 116.67 111.45 1xya s ASP 822 Ca 0.08 2.05 0.05 0.00 -0.52 0.00 0.00 52.55 54.21 1xya s ASP 822 Cb 0.08 -2.54 0.71 0.00 -1.46 0.00 0.00 42.92 39.71 1xya s ASP 822 CO 0.66 -0.85 1.93 -0.65 0.52 0.00 0.00 175.17 176.78 1xya h PRO 823 N 8.89 0.78 -0.37 4.34 0.11 -1.89 0.67 132.00 144.52 1xya h PRO 823 Ca -0.35 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 65.65 1xya h PRO 823 Cb 1.15 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 32.07 1xya h PRO 823 CO 0.95 0.52 -0.02 1.49 -0.21 0.00 0.00 178.00 180.73 1xya h GLU 824 N 0.80 0.60 -0.28 1.05 4.81 -1.95 0.51 114.58 120.12 1xya h GLU 824 Ca 0.35 -0.14 -0.15 0.00 -0.13 0.00 0.00 59.36 59.29 1xya h GLU 824 Cb 0.32 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.62 1xya h GLU 824 CO -0.13 0.63 -0.39 0.28 -0.73 0.00 0.00 179.01 178.67 1xya h VAL 825 N 0.57 1.30 -0.09 0.32 2.07 -1.33 -1.27 116.25 117.81 1xya h VAL 825 Ca 0.12 -1.58 -0.02 0.00 0.82 0.00 0.00 66.70 66.03 1xya h VAL 825 Cb 0.39 1.64 -0.01 0.00 -1.52 0.00 0.00 31.29 31.80 1xya h VAL 825 CO 0.02 0.51 -0.04 1.56 0.02 0.00 0.00 177.57 179.63 1xya h GLN 826 N 0.50 0.13 -0.11 1.57 4.20 -0.44 0.25 115.11 121.23 1xya h GLN 826 Ca 0.03 -0.02 -0.14 0.00 0.06 0.00 0.00 58.65 58.58 1xya h GLN 826 Cb 0.99 -0.03 0.01 0.00 0.30 0.00 0.00 27.48 28.75 1xya h GLN 826 CO 0.09 0.19 -0.49 1.49 -0.67 0.00 0.00 178.83 179.44 1xya h GLU 827 N 0.13 0.52 -0.41 1.46 4.81 -0.86 -2.85 114.58 117.38 1xya h GLU 827 Ca 0.03 -0.42 -0.04 0.00 -0.13 0.00 0.00 59.36 58.80 1xya h GLU 827 Cb 0.17 0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.62 1xya h GLU 827 CO 0.01 1.05 0.07 0.00 -0.73 0.00 0.00 179.01 179.40 1xya h ALA 828 N 0.48 1.35 -0.37 2.92 0.00 -0.31 -1.36 119.26 121.97 1xya h ALA 828 Ca -0.03 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.61 1xya h ALA 828 Cb 1.13 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 1xya h ALA 828 CO 0.10 0.46 -0.12 -0.07 0.00 0.00 0.00 179.25 179.62 1xya h LEU 829 N 0.60 0.65 -0.50 0.00 3.38 -0.93 -1.47 115.31 117.04 1xya h LEU 829 Ca 0.13 -0.19 -0.13 0.00 0.09 0.00 0.00 57.88 57.79 1xya h LEU 829 Cb 0.28 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1xya h LEU 829 CO 0.00 0.80 -0.24 0.03 0.09 0.00 0.00 178.44 179.12 1xya h ARG 830 N 0.60 0.97 -0.38 1.13 3.08 -1.27 -1.11 114.38 117.41 1xya h ARG 830 Ca 0.10 -0.42 -0.02 0.00 0.07 0.00 0.00 59.98 59.71 1xya h ARG 830 Cb 0.56 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.56 1xya h ARG 830 CO 0.03 1.09 0.14 0.00 -1.07 0.00 0.00 179.97 180.17 1xya h ALA 831 N 0.89 1.55 -0.23 0.04 0.00 -0.74 -2.22 119.26 118.54 1xya h ALA 831 Ca 0.10 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1xya h ALA 831 Cb 0.81 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1xya h ALA 831 CO 0.07 0.35 0.00 0.43 0.00 0.00 0.00 179.25 180.10 1xya n SER 832 N -4.38 1.74 -2.75 0.00 7.64 -0.60 -4.76 113.62 110.51 1xya n SER 832 Ca 0.02 -1.80 -0.22 0.00 1.01 0.00 0.00 58.87 57.88 1xya n SER 832 Cb 0.15 -0.15 0.02 0.00 -1.01 0.00 0.00 64.21 63.21 1xya n SER 832 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1xya n ARG 833 N 0.39 -3.52 0.28 1.43 3.00 -0.84 -4.90 116.66 112.50 1xya n ARG 833 Ca 0.15 0.96 0.16 0.00 -0.01 0.00 0.00 57.85 59.11 1xya n ARG 833 Cb 0.32 -5.75 0.81 0.00 0.00 0.00 0.00 32.46 27.84 1xya n ARG 833 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.63 177.56 1xya h LEU 834 N -0.79 0.00 -0.50 0.55 4.07 -1.46 -1.85 115.31 115.33 1xya h LEU 834 Ca -0.52 0.00 -0.14 0.00 0.08 0.00 0.00 57.88 57.30 1xya h LEU 834 Cb 1.37 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 43.10 1xya h LEU 834 CO 0.58 0.07 -0.26 -2.24 -1.08 0.00 0.00 178.44 175.51 1xya h ASP 835 N 0.00 0.98 0.35 -0.43 2.03 -1.88 -3.13 116.42 114.34 1xya h ASP 835 Ca -0.00 -0.39 -0.05 0.00 -0.73 0.00 0.00 57.03 55.86 1xya h ASP 835 Cb 0.32 -0.27 -0.01 0.00 -0.83 0.00 0.00 39.33 38.55 1xya h ASP 835 CO 0.01 1.18 -0.22 -0.33 -1.03 0.00 0.00 179.24 178.85 1xya h GLU 836 N 0.81 0.00 -0.20 4.15 5.08 -1.73 -2.56 114.58 120.13 1xya h GLU 836 Ca 0.10 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 1xya h GLU 836 Cb 0.84 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.07 1xya h GLU 836 CO 0.07 0.22 0.05 1.25 -1.00 0.00 0.00 179.01 179.61 1xya h LEU 837 N 0.00 0.24 -0.27 1.33 5.85 -1.39 -2.47 115.31 118.59 1xya h LEU 837 Ca -0.00 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.70 1xya h LEU 837 Cb 0.45 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.42 1xya h LEU 837 CO 0.03 0.25 0.00 0.00 -0.34 0.00 0.00 178.44 178.38 1xya h ALA 838 N 1.79 1.00 -2.68 1.25 0.00 -1.49 -3.45 119.26 115.68 1xya h ALA 838 Ca 0.07 0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.47 1xya h ALA 838 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1xya h ALA 838 CO -0.00 0.00 0.44 -0.65 0.00 0.00 0.00 179.25 179.04 1xya s GLN 839 N -3.22 4.65 0.29 0.00 -0.21 -0.93 -5.01 119.66 115.22 1xya s GLN 839 Ca 0.08 1.67 -0.30 0.00 0.02 0.00 0.00 55.36 56.82 1xya s GLN 839 Cb 0.10 -3.28 -0.13 0.00 1.00 0.00 0.00 33.01 30.71 1xya s GLN 839 CO 0.58 0.18 1.44 -2.30 -2.12 0.00 0.00 175.29 173.06 1xya n PRO 840 N 2.10 2.27 -0.17 2.91 -0.02 -1.26 -4.92 135.00 135.91 1xya n PRO 840 Ca 0.01 0.81 -0.08 0.00 -2.02 0.00 0.00 63.50 62.22 1xya n PRO 840 Cb 0.46 -2.48 0.01 0.00 -0.02 0.00 0.00 33.50 31.47 1xya n PRO 840 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 1xya h THR 841 N 3.01 1.16 -0.91 3.45 2.02 -1.94 -3.39 112.91 116.32 1xya h THR 841 Ca -0.46 -0.38 -0.36 0.00 0.77 0.00 0.00 66.41 65.98 1xya h THR 841 Cb 1.26 0.52 -0.26 0.00 -1.74 0.00 0.00 68.15 67.94 1xya h THR 841 CO 0.73 0.16 -0.78 0.00 0.37 0.00 0.00 175.52 176.01 1xya n ALA 842 N -2.27 0.39 0.30 6.16 0.00 -1.26 -4.93 120.51 118.91 1xya n ALA 842 Ca 0.02 -2.32 0.17 0.00 0.00 0.00 0.00 53.44 51.31 1xya n ALA 842 Cb 0.06 -1.08 0.75 0.00 0.00 0.00 0.00 19.45 19.18 1xya n ALA 842 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xya h ALA 843 N 3.57 1.00 0.00 0.00 0.00 -1.99 -2.57 119.26 119.26 1xya h ALA 843 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1xya h ALA 843 Cb 1.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1xya h ALA 843 CO 0.35 0.00 0.00 -0.40 0.00 0.00 0.00 179.25 179.20 1xya n ASP 844 N -2.94 0.58 0.00 0.00 5.75 -1.26 -5.01 116.55 113.66 1xya n ASP 844 Ca 0.00 0.66 0.00 0.00 -0.01 0.00 0.00 54.79 55.44 1xya n ASP 844 Cb 0.25 -0.78 0.00 0.00 -1.03 0.00 0.00 41.12 39.56 1xya n ASP 844 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1xya n GLY 845 N -0.25 0.99 0.30 6.12 0.00 -0.97 -4.18 105.19 107.19 1xya n GLY 845 Ca 0.02 -1.89 -0.05 0.00 0.00 0.00 0.00 46.02 44.10 1xya n GLY 845 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1xya h VAL 846 N 0.00 1.24 -0.16 1.61 3.04 -1.95 -1.58 116.25 118.46 1xya h VAL 846 Ca 0.00 -0.97 -0.14 0.00 -1.01 0.00 0.00 66.70 64.58 1xya h VAL 846 Cb 0.00 0.79 -0.01 0.00 -2.01 0.00 0.00 31.29 30.06 1xya h VAL 846 CO 0.00 0.35 -0.50 1.56 -1.01 0.00 0.00 177.57 177.97 1xya h GLN 847 N 0.81 0.42 -0.26 4.17 7.50 -1.99 -0.09 115.11 125.67 1xya h GLN 847 Ca 0.16 -0.25 -0.15 0.00 0.50 0.00 0.00 58.65 58.92 1xya h GLN 847 Cb 0.42 0.02 -0.01 0.00 0.05 0.00 0.00 27.48 27.96 1xya h GLN 847 CO 0.01 0.83 -0.43 0.93 -1.50 0.00 0.00 178.83 178.67 1xya h GLU 848 N 0.34 0.65 -0.51 1.46 4.39 -1.69 -2.74 114.58 116.48 1xya h GLU 848 Ca 0.01 -0.35 -0.02 0.00 0.34 0.00 0.00 59.36 59.35 1xya h GLU 848 Cb 1.00 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.64 1xya h GLU 848 CO 0.09 0.96 0.26 1.25 -1.16 0.00 0.00 179.01 180.40 1xya h LEU 849 N 0.53 0.65 -1.63 1.33 5.85 -1.06 -1.65 115.31 119.33 1xya h LEU 849 Ca 0.04 -0.12 -0.04 0.00 0.84 0.00 0.00 57.88 58.60 1xya h LEU 849 Cb 0.96 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.82 1xya h LEU 849 CO 0.09 0.58 -0.19 -0.07 -0.34 0.00 0.00 178.44 178.51 1xya h LEU 850 N 0.67 0.00 -1.17 2.25 3.38 -1.00 -2.57 115.31 116.87 1xya h LEU 850 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1xya h LEU 850 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1xya h LEU 850 CO -0.02 0.19 -0.03 0.00 0.09 0.00 0.00 178.44 178.67 1xya n ALA 851 N -2.50 2.60 -2.78 1.53 0.00 -1.04 -4.80 120.51 113.53 1xya n ALA 851 Ca -0.02 -0.51 -0.43 0.00 0.00 0.00 0.00 53.44 52.48 1xya n ALA 851 Cb 0.25 -1.07 -0.04 0.00 0.00 0.00 0.00 19.45 18.60 1xya n ALA 851 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1xya s ASP 852 N -2.04 6.20 0.53 0.00 2.15 -0.64 -4.92 116.67 117.95 1xya s ASP 852 Ca 0.34 -0.80 0.27 0.00 0.43 0.00 0.00 52.55 52.80 1xya s ASP 852 Cb 0.21 -2.44 1.49 0.00 -0.30 0.00 0.00 42.92 41.88 1xya s ASP 852 CO 0.34 -1.44 2.10 0.03 -0.17 0.00 0.00 175.17 176.03 1xya h ARG 853 N 9.57 0.00 0.00 4.34 3.08 -1.87 -2.19 114.38 127.31 1xya h ARG 853 Ca -0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.77 1xya h ARG 853 Cb 1.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.12 1xya h ARG 853 CO 1.17 0.10 0.00 0.25 -1.07 0.00 0.00 179.97 180.43 1xya n THR 854 N -3.69 0.49 0.95 2.04 -2.24 -1.26 -0.30 114.28 110.27 1xya n THR 854 Ca -0.02 0.12 0.12 0.00 -2.27 0.00 0.00 64.05 62.00 1xya n THR 854 Cb 0.21 -0.76 0.21 0.00 -2.10 0.00 0.00 70.33 67.89 1xya n THR 854 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xya n ALA 855 N -1.43 3.58 -0.92 6.98 0.00 -0.82 -3.86 120.51 124.04 1xya n ALA 855 Ca 0.07 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.14 1xya n ALA 855 Cb 0.22 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.58 1xya n ALA 855 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1xya n PHE 856 N -1.56 -0.14 0.19 0.00 7.35 -1.10 -4.82 117.46 117.38 1xya n PHE 856 Ca 0.05 0.00 0.11 0.00 -0.76 0.00 0.00 57.45 56.85 1xya n PHE 856 Cb 0.35 0.04 0.64 0.00 0.35 0.00 0.00 39.48 40.86 1xya n PHE 856 CO 0.00 0.00 0.00 1.05 -0.76 0.00 0.00 176.76 177.05 1xya h GLU 857 N 0.00 0.03 -0.17 -4.13 9.09 -1.82 -1.64 114.58 115.94 1xya h GLU 857 Ca 0.00 -0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1xya h GLU 857 Cb 0.00 -0.01 0.00 0.00 -1.65 0.00 0.00 28.75 27.09 1xya h GLU 857 CO 0.00 0.02 0.00 -0.25 0.05 0.00 0.00 179.01 178.83 1xya n ASP 858 N -4.50 2.83 -4.74 3.06 8.00 0.59 -4.98 116.55 116.82 1xya n ASP 858 Ca 0.00 -2.47 -0.41 0.00 0.71 0.00 0.00 54.79 52.62 1xya n ASP 858 Cb 0.21 -0.29 -0.03 0.00 -0.02 0.00 0.00 41.12 40.99 1xya n ASP 858 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 1xya s PHE 859 N -1.83 3.22 -0.62 1.24 5.36 -0.62 -4.82 117.98 119.92 1xya s PHE 859 Ca 0.24 1.18 -0.18 0.00 -0.96 0.00 0.00 56.93 57.21 1xya s PHE 859 Cb 0.18 -3.64 0.12 0.00 -0.34 0.00 0.00 43.02 39.34 1xya s PHE 859 CO 0.08 -2.01 0.68 0.34 -1.46 0.00 0.00 175.22 172.85 1xya s ASP 860 N 0.38 6.25 0.27 6.13 -1.08 -1.26 -4.90 116.67 122.46 1xya s ASP 860 Ca 0.57 -1.64 -0.02 0.00 -0.52 0.00 0.00 52.55 50.94 1xya s ASP 860 Cb -0.37 -2.28 0.36 0.00 -1.46 0.00 0.00 42.92 39.17 1xya s ASP 860 CO 0.38 -1.01 1.82 1.62 0.52 0.00 0.00 175.17 178.50 1xya h VAL 861 N 5.82 1.23 0.00 1.11 3.04 -1.95 -2.15 116.25 123.35 1xya h VAL 861 Ca -0.24 -0.82 -0.16 0.00 -1.01 0.00 0.00 66.70 64.46 1xya h VAL 861 Cb 1.08 0.62 -0.03 0.00 -2.01 0.00 0.00 31.29 30.95 1xya h VAL 861 CO 1.06 0.31 -0.92 0.44 -1.01 0.00 0.00 177.57 177.45 1xya h ASP 862 N 0.86 0.00 -0.43 3.17 3.32 -1.97 0.18 116.42 121.54 1xya h ASP 862 Ca 0.19 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.14 1xya h ASP 862 Cb 0.29 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 1xya h ASP 862 CO -0.00 0.71 -0.11 0.00 -1.72 0.00 0.00 179.24 178.12 1xya h ALA 863 N 1.29 0.59 -0.31 3.45 0.00 -1.94 -2.09 119.26 120.25 1xya h ALA 863 Ca -0.06 -0.33 -0.17 0.00 0.00 0.00 0.00 54.91 54.36 1xya h ALA 863 Cb 1.59 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 19.22 1xya h ALA 863 CO 0.08 0.48 -0.46 0.00 0.00 0.00 0.00 179.25 179.35 1xya h ALA 864 N 0.86 0.59 0.00 0.00 0.00 -1.30 -3.05 119.26 116.37 1xya h ALA 864 Ca 0.11 -0.48 -0.04 0.00 0.00 0.00 0.00 54.91 54.50 1xya h ALA 864 Cb 0.64 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1xya h ALA 864 CO 0.04 0.68 -0.17 0.00 0.00 0.00 0.00 179.25 179.80 1xya h ALA 865 N 0.82 1.43 0.00 0.00 0.00 -0.55 -2.72 119.26 118.24 1xya h ALA 865 Ca 0.04 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1xya h ALA 865 Cb 1.05 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1xya h ALA 865 CO 0.10 0.21 -0.14 0.00 0.00 0.00 0.00 179.25 179.42 1xya n ALA 866 N -2.38 2.46 -2.13 0.00 0.00 -0.80 -4.81 120.51 112.86 1xya n ALA 866 Ca -0.02 -0.09 -0.43 0.00 0.00 0.00 0.00 53.44 52.90 1xya n ALA 866 Cb 0.26 -1.40 -0.03 0.00 0.00 0.00 0.00 19.45 18.29 1xya n ALA 866 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1xya s ARG 867 N -3.10 4.06 0.51 0.00 0.52 -1.03 -4.98 118.95 114.93 1xya s ARG 867 Ca 0.10 1.89 -0.19 0.00 -0.52 0.00 0.00 55.73 57.01 1xya s ARG 867 Cb 0.14 -3.96 -0.07 0.00 0.52 0.00 0.00 34.95 31.58 1xya s ARG 867 CO 0.62 -0.97 1.06 0.20 0.02 0.00 0.00 175.30 176.22 1xya s GLY 868 N 3.36 2.48 0.02 -3.53 0.00 -1.26 -4.96 107.32 103.43 1xya s GLY 868 Ca 0.69 0.62 0.26 0.00 0.00 0.00 0.00 44.72 46.29 1xya s GLY 868 CO 0.26 0.94 1.60 1.03 0.00 0.00 0.00 173.10 176.93 1xya n MET 869 N -1.19 0.05 -3.41 2.90 0.00 -1.26 -4.94 117.12 109.26 1xya n MET 869 Ca 0.10 0.02 -0.24 0.00 0.00 0.00 0.00 57.70 57.58 1xya n MET 869 Cb 0.52 -1.54 -0.01 0.00 0.00 0.00 0.00 33.22 32.20 1xya n MET 869 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1xya n ALA 870 N -1.55 -1.07 0.10 3.04 0.00 -1.26 -4.07 120.51 115.70 1xya n ALA 870 Ca 0.06 0.06 -0.04 0.00 0.00 0.00 0.00 53.44 53.52 1xya n ALA 870 Cb 0.35 -2.67 0.11 0.00 0.00 0.00 0.00 19.45 17.24 1xya n ALA 870 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 1xya h PHE 871 N -0.93 0.18 -0.27 0.00 0.04 -1.96 -3.10 116.94 110.89 1xya h PHE 871 Ca -0.42 -0.08 -0.08 0.00 2.80 0.00 0.00 57.97 60.19 1xya h PHE 871 Cb 1.28 -0.03 -0.01 0.00 2.20 0.00 0.00 35.95 39.40 1xya h PHE 871 CO 0.68 0.75 -0.13 0.93 -0.60 0.00 0.00 178.31 179.94 1xya h GLU 872 N 0.09 0.57 -0.16 1.51 4.39 -1.99 -0.85 114.58 118.14 1xya h GLU 872 Ca -0.01 -0.25 0.04 0.00 0.34 0.00 0.00 59.36 59.48 1xya h GLU 872 Cb 1.18 -0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 29.77 1xya h GLU 872 CO 0.10 0.81 -0.12 -0.09 -1.16 0.00 0.00 179.01 178.55 1xya h ARG 873 N 0.30 -0.13 -0.46 2.33 9.65 -1.99 -0.84 114.38 123.25 1xya h ARG 873 Ca 0.06 0.01 0.07 0.00 -1.10 0.00 0.00 59.98 59.02 1xya h ARG 873 Cb 0.64 0.03 -0.06 0.00 -1.39 0.00 0.00 29.97 29.19 1xya h ARG 873 CO 0.04 -0.08 0.09 1.25 2.80 0.00 0.00 179.97 184.07 1xya h LEU 874 N -0.13 0.01 -1.33 3.80 5.85 -1.47 -1.62 115.31 120.42 1xya h LEU 874 Ca 0.10 0.08 -0.06 0.00 0.84 0.00 0.00 57.88 58.84 1xya h LEU 874 Cb 0.28 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 1xya h LEU 874 CO -0.24 0.04 -0.23 -0.78 -0.34 0.00 0.00 178.44 176.88 1xya h ASP 875 N 0.23 0.15 0.54 1.25 3.58 -0.96 -1.59 116.42 119.62 1xya h ASP 875 Ca 0.23 -0.04 -0.16 0.00 0.42 0.00 0.00 57.03 57.48 1xya h ASP 875 Cb 0.29 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.29 1xya h ASP 875 CO -0.30 0.39 -0.72 -0.61 -2.88 0.00 0.00 179.24 175.12 1xya h GLN 876 N 0.14 0.15 -0.69 0.28 5.75 -0.79 0.39 115.11 120.34 1xya h GLN 876 Ca 0.02 -0.13 -0.04 0.00 -0.15 0.00 0.00 58.65 58.35 1xya h GLN 876 Cb 0.50 0.03 -0.03 0.00 1.07 0.00 0.00 27.48 29.04 1xya h GLN 876 CO 0.03 0.81 0.26 -0.07 -2.65 0.00 0.00 178.83 177.21 1xya h LEU 877 N 0.10 0.95 -0.51 -2.39 3.38 -1.03 0.87 115.31 116.67 1xya h LEU 877 Ca -0.02 -0.14 -0.09 0.00 0.09 0.00 0.00 57.88 57.72 1xya h LEU 877 Cb 1.28 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.76 1xya h LEU 877 CO 0.11 0.86 -0.04 0.00 0.09 0.00 0.00 178.44 179.46 1xya h ALA 878 N 1.28 0.69 0.08 1.53 0.00 -0.93 -1.88 119.26 120.03 1xya h ALA 878 Ca 0.23 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1xya h ALA 878 Cb 0.22 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1xya h ALA 878 CO -0.02 0.54 -0.04 1.98 0.00 0.00 0.00 179.25 181.71 1xya h MET 879 N 0.79 -0.10 -0.70 0.00 1.85 -0.67 -0.78 114.93 115.32 1xya h MET 879 Ca 0.14 0.01 0.13 0.00 -0.61 0.00 0.00 59.70 59.37 1xya h MET 879 Cb 0.57 0.02 -0.09 0.00 0.43 0.00 0.00 31.60 32.53 1xya h MET 879 CO 0.03 -0.04 0.24 -0.44 -0.40 0.00 0.00 176.91 176.30 1xya h ASP 880 N -0.14 0.18 -0.25 1.39 3.32 -0.71 -0.20 116.42 120.00 1xya h ASP 880 Ca -0.01 0.11 -0.08 0.00 0.02 0.00 0.00 57.03 57.07 1xya h ASP 880 Cb 0.12 0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 1xya h ASP 880 CO 0.02 0.07 -0.16 0.45 -1.72 0.00 0.00 179.24 177.90 1xya h HIS 881 N 0.38 0.65 -0.34 4.55 3.86 -1.19 0.20 115.15 123.26 1xya h HIS 881 Ca 0.38 -0.17 0.06 0.00 -1.16 0.00 0.00 60.37 59.48 1xya h HIS 881 Cb 0.57 -0.14 -0.05 0.00 1.06 0.00 0.00 27.41 28.84 1xya h HIS 881 CO -0.20 0.83 -0.01 1.25 0.86 0.00 0.00 177.93 180.67 1xya h LEU 882 N 0.27 -0.15 0.00 2.43 5.85 -0.66 -2.37 115.31 120.67 1xya h LEU 882 Ca 0.05 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.85 1xya h LEU 882 Cb 0.69 0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.86 1xya h LEU 882 CO 0.04 -0.04 0.00 0.18 -0.34 0.00 0.00 178.44 178.29 1xya n LEU 883 N -5.18 0.00 -1.67 2.25 4.77 -0.13 -4.91 117.00 112.13 1xya n LEU 883 Ca 0.01 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.83 1xya n LEU 883 Cb 0.18 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.24 1xya n LEU 883 CO 0.21 0.00 -0.19 0.61 -1.33 0.00 0.00 177.39 176.69 1xya n GLY 884 N 0.87 0.27 0.91 -0.72 0.00 -0.60 -4.87 105.19 101.05 1xya n GLY 884 Ca 0.22 -0.22 0.05 0.00 0.00 0.00 0.00 46.02 46.07 1xya n GLY 884 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xya n ALA 885 N -0.87 2.76 -0.18 4.61 0.00 0.62 -5.01 120.51 122.43 1xya n ALA 885 Ca -0.18 -0.79 0.00 0.00 0.00 0.00 0.00 53.44 52.47 1xya n ALA 885 Cb 0.61 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 19.05 1xya n ALA 885 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39