#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xyl n TYR 502 N 0.00 2.17 -3.21 7.33 4.01 -1.26 -5.08 117.16 121.12 1xyl n TYR 502 Ca 0.00 -3.93 -0.40 0.00 -0.16 0.00 0.00 57.90 53.41 1xyl n TYR 502 Cb 0.00 -0.48 -0.07 0.00 -0.31 0.00 0.00 39.34 38.48 1xyl n TYR 502 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 1xyl s GLN 503 N -2.16 4.11 0.43 -0.72 -1.52 -1.26 -4.71 119.66 113.83 1xyl s GLN 503 Ca 0.39 0.40 -0.25 0.00 -1.95 0.00 0.00 55.36 53.95 1xyl s GLN 503 Cb 0.18 -3.63 -0.08 0.00 -0.22 0.00 0.00 33.01 29.26 1xyl s GLN 503 CO -0.06 -0.32 1.27 -1.25 -0.25 0.00 0.00 175.29 174.68 1xyl s PRO 504 N 2.20 3.86 0.25 2.91 0.04 -1.26 -5.07 135.00 137.93 1xyl s PRO 504 Ca 0.23 2.06 0.03 0.00 0.04 0.00 0.00 61.00 63.36 1xyl s PRO 504 Cb -0.16 -2.64 -0.05 0.00 0.04 0.00 0.00 34.50 31.69 1xyl s PRO 504 CO 0.09 -0.55 0.02 0.95 0.04 0.00 0.00 177.00 177.55 1xyl s THR 505 N -1.33 0.97 0.60 1.26 -4.23 -1.24 -4.52 115.64 107.14 1xyl s THR 505 Ca 0.60 -2.02 0.29 0.00 -1.18 0.00 0.00 61.69 59.38 1xyl s THR 505 Cb -0.36 -2.45 0.36 0.00 1.34 0.00 0.00 72.50 71.39 1xyl s THR 505 CO 0.45 -0.23 2.01 -0.65 -0.54 0.00 0.00 174.62 175.66 1xyl h PRO 506 N 2.41 0.00 0.00 3.99 0.11 -1.78 -0.31 132.00 136.42 1xyl h PRO 506 Ca -0.39 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.70 1xyl h PRO 506 Cb 1.23 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 1xyl h PRO 506 CO 0.65 0.00 -0.11 1.49 -0.21 0.00 0.00 178.00 179.82 1xyl h GLU 507 N 0.00 0.00 0.00 1.05 4.81 -1.95 -2.26 114.58 116.24 1xyl h GLU 507 Ca 0.12 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 1xyl h GLU 507 Cb 0.75 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.13 1xyl h GLU 507 CO -0.00 0.11 0.00 -0.25 -0.73 0.00 0.00 179.01 178.13 1xyl n ASP 508 N -3.86 0.00 -3.07 1.04 8.00 -0.13 -4.94 116.55 113.60 1xyl n ASP 508 Ca -0.02 0.07 -0.23 0.00 0.71 0.00 0.00 54.79 55.32 1xyl n ASP 508 Cb 0.20 -0.32 0.04 0.00 -0.02 0.00 0.00 41.12 41.02 1xyl n ASP 508 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1xyl n ARG 509 N -1.32 -5.18 -2.80 -1.24 1.74 -0.85 -4.69 116.66 102.31 1xyl n ARG 509 Ca 0.09 0.91 -0.41 0.00 -0.77 0.00 0.00 57.85 57.67 1xyl n ARG 509 Cb 0.18 -5.79 -0.03 0.00 -1.02 0.00 0.00 32.46 25.80 1xyl n ARG 509 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1xyl s PHE 510 N -3.20 3.58 0.13 -1.55 0.08 -1.26 -1.45 117.98 114.31 1xyl s PHE 510 Ca 0.33 1.52 0.05 0.00 0.12 0.00 0.00 56.93 58.95 1xyl s PHE 510 Cb -0.15 -3.05 -0.04 0.00 -0.57 0.00 0.00 43.02 39.22 1xyl s PHE 510 CO 0.41 -0.07 -0.13 0.95 -0.10 0.00 0.00 175.22 176.29 1xyl s THR 511 N 1.33 1.26 0.01 0.64 -4.23 -0.82 -0.22 115.64 113.62 1xyl s THR 511 Ca 0.46 -1.82 0.01 0.00 -1.18 0.00 0.00 61.69 59.16 1xyl s THR 511 Cb -0.19 -1.61 -0.01 0.00 1.34 0.00 0.00 72.50 72.03 1xyl s THR 511 CO 0.21 -0.53 -0.03 -0.36 -0.54 0.00 0.00 174.62 173.37 1xyl s PHE 512 N -2.52 0.28 0.41 3.99 0.40 -1.03 -0.79 117.98 118.71 1xyl s PHE 512 Ca 0.11 -0.28 -0.23 0.00 -0.60 0.00 0.00 56.93 55.94 1xyl s PHE 512 Cb -0.03 -0.18 -0.10 0.00 0.51 0.00 0.00 43.02 43.22 1xyl s PHE 512 CO 0.02 -0.08 0.99 0.20 0.70 0.00 0.00 175.22 177.05 1xyl s GLY 513 N -0.77 2.58 0.44 4.36 0.00 -1.24 -1.50 107.32 111.19 1xyl s GLY 513 Ca -0.07 0.53 0.13 0.00 0.00 0.00 0.00 44.72 45.31 1xyl s GLY 513 CO -0.00 0.89 2.00 1.41 0.00 0.00 0.00 173.10 177.40 1xyl h LEU 514 N 2.27 0.36 0.00 0.66 3.38 -1.51 -2.48 115.31 118.00 1xyl h LEU 514 Ca -0.48 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.49 1xyl h LEU 514 Cb 1.20 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.87 1xyl h LEU 514 CO 0.62 0.23 0.00 -2.67 0.09 0.00 0.00 178.44 176.71 1xyl n TRP 515 N -4.47 0.00 0.00 1.13 2.14 -1.26 -2.28 117.44 112.70 1xyl n TRP 515 Ca 0.08 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.65 1xyl n TRP 515 Cb 0.31 -0.32 0.00 0.00 -0.81 0.00 0.00 31.31 30.49 1xyl n TRP 515 CO 0.00 0.00 0.00 0.25 2.07 0.00 0.00 177.69 180.01 1xyl n THR 516 N -1.32 0.00 0.29 -1.67 -2.24 -0.93 -2.60 114.28 105.81 1xyl n THR 516 Ca 0.08 0.39 0.18 0.00 -2.27 0.00 0.00 64.05 62.43 1xyl n THR 516 Cb 0.17 -1.25 0.80 0.00 -2.10 0.00 0.00 70.33 67.94 1xyl n THR 516 CO 0.00 0.00 0.00 -0.37 -0.57 0.00 0.00 175.07 174.13 1xyl h VAL 517 N 0.00 0.00 -0.00 2.28 -1.51 -1.75 -1.91 116.25 113.36 1xyl h VAL 517 Ca 0.00 -0.39 0.00 0.00 -1.23 0.00 0.00 66.70 65.08 1xyl h VAL 517 Cb 0.00 1.37 0.00 0.00 -2.13 0.00 0.00 31.29 30.53 1xyl h VAL 517 CO 0.00 0.00 -0.15 0.61 -1.23 0.00 0.00 177.57 176.80 1xyl n GLY 518 N -0.22 -1.24 3.71 5.19 0.00 -0.96 -4.89 105.19 106.77 1xyl n GLY 518 Ca -0.00 -0.22 -0.43 0.00 0.00 0.00 0.00 46.02 45.37 1xyl n GLY 518 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1xyl n TRP 519 N -1.30 2.54 1.12 1.61 -0.00 -0.72 -4.51 117.44 116.18 1xyl n TRP 519 Ca 0.10 0.26 0.13 0.00 -0.00 0.00 0.00 57.50 57.99 1xyl n TRP 519 Cb 0.31 -2.57 0.38 0.00 -0.00 0.00 0.00 31.31 29.43 1xyl n TRP 519 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 177.69 178.73 1xyl n GLN 520 N 2.70 0.32 0.00 5.87 6.02 -1.26 -4.88 117.38 126.16 1xyl n GLN 520 Ca 0.12 -0.17 0.00 0.00 -0.01 0.00 0.00 57.00 56.95 1xyl n GLN 520 Cb 0.33 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.10 1xyl n GLN 520 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1xyl n GLY 521 N 1.43 0.39 3.70 1.08 0.00 -1.26 -1.03 105.19 109.49 1xyl n GLY 521 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 1xyl n GLY 521 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1xyl s ARG 522 N -0.99 4.31 0.01 1.61 3.52 -1.26 -4.52 118.95 121.64 1xyl s ARG 522 Ca 0.00 1.97 0.00 0.00 -0.13 0.00 0.00 55.73 57.57 1xyl s ARG 522 Cb 0.00 -3.48 -0.00 0.00 -1.56 0.00 0.00 34.95 29.91 1xyl s ARG 522 CO 0.00 -0.51 0.00 -0.40 -0.81 0.00 0.00 175.30 173.58 1xyl n ASP 523 N 4.92 1.43 -0.06 -2.12 5.68 -0.76 -4.97 116.55 120.68 1xyl n ASP 523 Ca 0.12 -1.07 0.13 0.00 -0.50 0.00 0.00 54.79 53.48 1xyl n ASP 523 Cb 0.44 0.02 0.53 0.00 -1.14 0.00 0.00 41.12 40.97 1xyl n ASP 523 CO 0.00 0.00 0.00 1.55 -1.33 0.00 0.00 177.20 177.42 1xyl h PRO 524 N 0.00 0.32 -0.24 0.11 0.13 -2.02 -3.14 132.00 127.16 1xyl h PRO 524 Ca -0.01 -0.02 -0.03 0.00 -0.87 0.00 0.00 66.00 65.07 1xyl h PRO 524 Cb 0.04 -0.07 -0.02 0.00 0.13 0.00 0.00 31.00 31.08 1xyl h PRO 524 CO 0.02 0.21 -0.01 1.19 -0.23 0.00 0.00 178.00 179.18 1xyl n PHE 525 N -4.46 0.84 -3.52 1.56 3.72 -1.26 -5.05 117.46 109.28 1xyl n PHE 525 Ca 0.09 -1.02 -0.08 0.00 -0.05 0.00 0.00 57.45 56.40 1xyl n PHE 525 Cb 0.39 -0.32 -0.02 0.00 -0.94 0.00 0.00 39.48 38.59 1xyl n PHE 525 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1xyl s GLY 526 N -2.17 -0.42 0.60 1.37 0.00 -1.19 -5.17 107.32 100.33 1xyl s GLY 526 Ca 0.41 1.16 0.01 0.00 0.00 0.00 0.00 44.72 46.30 1xyl s GLY 526 CO 0.06 0.39 0.84 0.99 0.00 0.00 0.00 173.10 175.38 1xyl s ASP 527 N -2.39 5.02 0.28 1.64 1.01 -1.26 -1.82 116.67 119.14 1xyl s ASP 527 Ca 0.06 -0.11 -0.30 0.00 0.71 0.00 0.00 52.55 52.91 1xyl s ASP 527 Cb -0.01 -0.63 -0.13 0.00 1.01 0.00 0.00 42.92 43.17 1xyl s ASP 527 CO -0.08 -1.35 1.43 0.00 0.21 0.00 0.00 175.17 175.38 1xyl n ALA 528 N -2.49 1.54 0.66 5.23 0.00 -1.26 -4.18 120.51 120.02 1xyl n ALA 528 Ca 0.10 0.39 0.07 0.00 0.00 0.00 0.00 53.44 54.00 1xyl n ALA 528 Cb 0.60 -2.32 -0.09 0.00 0.00 0.00 0.00 19.45 17.64 1xyl n ALA 528 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1xyl n THR 529 N 1.58 0.00 -4.24 0.00 -2.24 -0.19 -4.91 114.28 104.27 1xyl n THR 529 Ca 0.09 -0.16 -0.19 0.00 -2.27 0.00 0.00 64.05 61.52 1xyl n THR 529 Cb 0.34 0.93 -0.12 0.00 -2.10 0.00 0.00 70.33 69.38 1xyl n THR 529 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1xyl s ARG 530 N -2.48 0.87 0.71 -0.78 0.52 -0.69 -4.97 118.95 112.14 1xyl s ARG 530 Ca 0.05 -0.89 -0.14 0.00 -0.52 0.00 0.00 55.73 54.23 1xyl s ARG 530 Cb 0.11 -0.89 0.03 0.00 0.52 0.00 0.00 34.95 34.72 1xyl s ARG 530 CO 0.62 0.21 1.12 -1.25 0.02 0.00 0.00 175.30 176.02 1xyl s PRO 531 N -1.53 2.49 0.40 3.54 0.04 -1.26 -4.68 135.00 134.00 1xyl s PRO 531 Ca -0.00 1.42 -0.27 0.00 0.04 0.00 0.00 61.00 62.18 1xyl s PRO 531 Cb -0.09 -1.91 -0.10 0.00 0.04 0.00 0.00 34.50 32.44 1xyl s PRO 531 CO 0.02 -1.50 1.44 0.00 0.04 0.00 0.00 177.00 177.00 1xyl s ALA 532 N -2.41 3.44 0.07 8.56 0.00 -1.26 -4.86 121.76 125.31 1xyl s ALA 532 Ca 0.67 1.48 -0.10 0.00 0.00 0.00 0.00 51.96 54.01 1xyl s ALA 532 Cb -0.21 -3.58 -0.06 0.00 0.00 0.00 0.00 23.12 19.27 1xyl s ALA 532 CO 0.46 -1.04 0.40 -0.51 0.00 0.00 0.00 175.76 175.07 1xyl s LEU 533 N -2.28 4.36 0.06 0.00 1.43 -1.26 -5.07 118.68 115.92 1xyl s LEU 533 Ca 0.55 0.81 -0.30 0.00 -1.03 0.00 0.00 54.13 54.16 1xyl s LEU 533 Cb -0.44 -2.94 -0.05 0.00 0.03 0.00 0.00 46.19 42.79 1xyl s LEU 533 CO 0.59 0.19 1.05 -0.62 0.23 0.00 0.00 176.35 177.78 1xyl s ASP 534 N -1.69 7.31 0.44 2.29 2.15 -1.26 -4.93 116.67 120.98 1xyl s ASP 534 Ca 0.32 1.83 0.25 0.00 0.43 0.00 0.00 52.55 55.38 1xyl s ASP 534 Cb -0.14 -2.58 1.26 0.00 -0.30 0.00 0.00 42.92 41.16 1xyl s ASP 534 CO 0.17 -0.27 1.77 -0.65 -0.17 0.00 0.00 175.17 176.02 1xyl h PRO 535 N 6.35 0.24 -0.24 4.34 0.11 -1.97 -1.85 132.00 138.99 1xyl h PRO 535 Ca -0.42 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.61 1xyl h PRO 535 Cb 1.22 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 1xyl h PRO 535 CO 0.76 0.16 -0.12 0.28 -0.21 0.00 0.00 178.00 178.87 1xyl h VAL 536 N 0.25 1.30 -0.52 3.15 2.07 -1.91 -1.10 116.25 119.48 1xyl h VAL 536 Ca 0.61 -1.20 -0.06 0.00 0.82 0.00 0.00 66.70 66.86 1xyl h VAL 536 Cb 1.82 1.59 -0.02 0.00 -1.52 0.00 0.00 31.29 33.15 1xyl h VAL 536 CO -0.23 0.37 0.07 -0.08 0.02 0.00 0.00 177.57 177.72 1xyl h GLU 537 N 0.21 0.84 -0.21 1.57 4.81 -1.75 -2.47 114.58 117.58 1xyl h GLU 537 Ca 0.05 -0.20 -0.01 0.00 -0.13 0.00 0.00 59.36 59.07 1xyl h GLU 537 Cb 0.62 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.88 1xyl h GLU 537 CO 0.04 0.80 0.10 1.15 -0.73 0.00 0.00 179.01 180.37 1xyl h THR 538 N 0.80 1.13 -0.86 0.32 2.02 -1.22 -0.81 112.91 114.29 1xyl h THR 538 Ca 0.16 -0.38 0.09 0.00 0.77 0.00 0.00 66.41 67.06 1xyl h THR 538 Cb 0.38 1.00 -0.07 0.00 -1.74 0.00 0.00 68.15 67.71 1xyl h THR 538 CO 0.01 0.13 0.50 0.58 0.37 0.00 0.00 175.52 177.11 1xyl h VAL 539 N 0.21 0.93 -0.11 3.16 2.07 -0.96 -1.43 116.25 120.13 1xyl h VAL 539 Ca 0.07 -0.29 -0.19 0.00 0.82 0.00 0.00 66.70 67.12 1xyl h VAL 539 Cb 0.11 0.01 0.01 0.00 -1.52 0.00 0.00 31.29 29.90 1xyl h VAL 539 CO -0.01 0.15 -0.66 1.56 0.02 0.00 0.00 177.57 178.64 1xyl h GLN 540 N 0.85 0.63 -0.24 1.57 1.08 -1.16 -1.76 115.11 116.08 1xyl h GLN 540 Ca 0.41 -0.54 -0.03 0.00 -1.45 0.00 0.00 58.65 57.04 1xyl h GLN 540 Cb 0.35 0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 27.89 1xyl h GLN 540 CO -0.24 1.16 0.03 0.00 -0.95 0.00 0.00 178.83 178.83 1xyl h ARG 541 N 0.29 0.40 -0.64 1.46 -0.00 -1.02 -2.02 114.38 112.84 1xyl h ARG 541 Ca -0.05 -0.11 0.03 0.00 -0.50 0.00 0.00 59.98 59.34 1xyl h ARG 541 Cb 1.31 -0.04 -0.04 0.00 0.00 0.00 0.00 29.97 31.19 1xyl h ARG 541 CO 0.14 0.54 0.40 -0.07 0.00 0.00 0.00 179.97 180.98 1xyl h LEU 542 N 0.20 0.66 -0.70 3.04 3.38 -1.31 -2.29 115.31 118.28 1xyl h LEU 542 Ca 0.07 -0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.08 1xyl h LEU 542 Cb 0.34 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.90 1xyl h LEU 542 CO 0.01 0.46 0.42 0.00 0.09 0.00 0.00 178.44 179.42 1xyl h ALA 543 N 1.27 0.93 0.00 1.53 0.00 -1.25 -1.27 119.26 120.48 1xyl h ALA 543 Ca 0.26 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 1xyl h ALA 543 Cb 0.01 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 1xyl h ALA 543 CO -0.10 0.15 -0.05 0.93 0.00 0.00 0.00 179.25 180.19 1xyl h GLU 544 N 0.80 0.00 0.00 0.00 5.08 -0.84 -1.78 114.58 117.84 1xyl h GLU 544 Ca 0.30 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.66 1xyl h GLU 544 Cb 0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1xyl h GLU 544 CO -0.14 0.05 -0.18 -0.07 -1.00 0.00 0.00 179.01 177.67 1xyl h LEU 545 N 0.00 0.00 0.00 1.33 4.07 -0.72 -3.47 115.31 116.52 1xyl h LEU 545 Ca -0.00 -0.05 0.00 0.00 0.08 0.00 0.00 57.88 57.91 1xyl h LEU 545 Cb 0.11 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.85 1xyl h LEU 545 CO 0.01 0.02 0.00 0.61 -1.08 0.00 0.00 178.44 178.00 1xyl n GLY 546 N 1.28 1.17 3.76 0.83 0.00 -0.67 -4.65 105.19 106.91 1xyl n GLY 546 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 1xyl n GLY 546 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xyl s ALA 547 N -2.00 2.35 -0.12 4.61 0.00 -0.86 -3.30 121.76 122.44 1xyl s ALA 547 Ca 0.00 0.58 0.18 0.00 0.00 0.00 0.00 51.96 52.72 1xyl s ALA 547 Cb 0.00 -3.35 -0.22 0.00 0.00 0.00 0.00 23.12 19.55 1xyl s ALA 547 CO 0.00 -1.49 0.49 1.58 0.00 0.00 0.00 175.76 176.34 1xyl n HIS 548 N -2.64 0.49 -3.96 0.00 -0.00 0.69 -4.50 115.22 105.30 1xyl n HIS 548 Ca 0.11 0.17 0.01 0.00 0.46 0.00 0.00 57.72 58.47 1xyl n HIS 548 Cb 0.52 -0.98 0.01 0.00 -0.12 0.00 0.00 29.99 29.43 1xyl n HIS 548 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1xyl n GLY 549 N 1.51 0.35 3.15 1.57 0.00 -1.14 -2.64 105.19 107.99 1xyl n GLY 549 Ca -0.18 -1.05 -0.12 0.00 0.00 0.00 0.00 46.02 44.68 1xyl n GLY 549 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1xyl s VAL 550 N -2.05 0.72 0.27 1.61 -7.23 -0.32 -2.48 120.40 110.92 1xyl s VAL 550 Ca 0.25 -1.67 0.05 0.00 -1.81 0.00 0.00 61.98 58.80 1xyl s VAL 550 Cb -0.01 -1.36 -0.06 0.00 0.56 0.00 0.00 36.38 35.51 1xyl s VAL 550 CO 0.01 -0.69 -0.01 0.42 -0.31 0.00 0.00 175.10 174.52 1xyl s THR 551 N -2.83 1.31 0.08 5.32 -4.23 -0.56 -3.99 115.64 110.73 1xyl s THR 551 Ca 0.05 -2.06 -0.14 0.00 -1.18 0.00 0.00 61.69 58.37 1xyl s THR 551 Cb -0.00 -2.49 0.02 0.00 1.34 0.00 0.00 72.50 71.37 1xyl s THR 551 CO -0.02 -0.24 0.32 0.72 -0.54 0.00 0.00 174.62 174.85 1xyl s PHE 552 N -3.23 -0.09 0.16 3.99 -0.71 -1.25 -1.10 117.98 115.75 1xyl s PHE 552 Ca 0.31 -0.15 -0.05 0.00 -1.04 0.00 0.00 56.93 55.99 1xyl s PHE 552 Cb 0.06 0.12 -0.06 0.00 -1.21 0.00 0.00 43.02 41.93 1xyl s PHE 552 CO 0.11 -0.57 0.41 -1.01 -1.34 0.00 0.00 175.22 172.82 1xyl s HIS 553 N -3.19 3.47 0.26 3.49 3.76 -1.26 -1.26 115.29 120.56 1xyl s HIS 553 Ca -0.01 0.60 -0.04 0.00 -0.15 0.00 0.00 55.06 55.46 1xyl s HIS 553 Cb 0.01 -2.04 0.51 0.00 1.11 0.00 0.00 32.58 32.17 1xyl s HIS 553 CO -0.07 0.39 1.64 0.38 -0.85 0.00 0.00 174.74 176.23 1xyl h ASP 554 N 2.70 -0.22 0.73 1.40 2.03 -1.75 -1.34 116.42 119.96 1xyl h ASP 554 Ca -0.46 0.19 0.00 0.00 -0.73 0.00 0.00 57.03 56.03 1xyl h ASP 554 Cb 1.17 0.31 0.00 0.00 -0.83 0.00 0.00 39.33 39.98 1xyl h ASP 554 CO 0.72 -0.16 0.00 0.47 -1.03 0.00 0.00 179.24 179.24 1xyl n ASP 555 N -5.30 0.08 0.04 4.15 8.00 -1.26 -1.34 116.55 120.92 1xyl n ASP 555 Ca 0.16 0.51 -0.15 0.00 0.71 0.00 0.00 54.79 56.02 1xyl n ASP 555 Cb 0.53 -0.53 -0.04 0.00 -0.02 0.00 0.00 41.12 41.05 1xyl n ASP 555 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 1xyl h ASP 556 N 0.00 0.69 0.31 -2.24 3.32 -1.64 -3.37 116.42 113.49 1xyl h ASP 556 Ca 0.00 -0.50 -0.33 0.00 0.02 0.00 0.00 57.03 56.22 1xyl h ASP 556 Cb 0.37 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 1xyl h ASP 556 CO 0.00 1.29 -1.72 0.25 -1.72 0.00 0.00 179.24 177.34 1xyl h LEU 557 N 0.35 0.42 -7.47 1.55 5.85 -1.38 -3.45 115.31 111.18 1xyl h LEU 557 Ca -0.07 -0.69 -0.57 0.00 0.84 0.00 0.00 57.88 57.39 1xyl h LEU 557 Cb 1.49 -0.14 -0.39 0.00 0.37 0.00 0.00 40.66 42.00 1xyl h LEU 557 CO 0.16 1.59 -0.77 -0.63 -0.34 0.00 0.00 178.44 178.45 1xyl s ILE 558 N -2.59 1.12 0.08 4.05 1.01 -0.45 -4.80 121.20 119.62 1xyl s ILE 558 Ca -0.14 -1.01 -0.36 0.00 0.00 0.00 0.00 60.65 59.15 1xyl s ILE 558 Cb 0.06 -1.52 -0.19 0.00 0.01 0.00 0.00 42.46 40.83 1xyl s ILE 558 CO 0.83 -0.19 0.94 -2.65 0.00 0.00 0.00 174.94 173.87 1xyl n PRO 559 N 4.82 0.18 -1.69 2.79 -0.02 -1.26 -4.19 135.00 135.63 1xyl n PRO 559 Ca -0.10 0.06 -0.43 0.00 -2.02 0.00 0.00 63.50 61.01 1xyl n PRO 559 Cb 0.45 -1.43 -0.01 0.00 -0.02 0.00 0.00 33.50 32.48 1xyl n PRO 559 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1xyl n PHE 560 N 1.14 2.26 -0.99 6.00 -0.00 -1.26 -1.50 117.46 123.10 1xyl n PHE 560 Ca 0.19 0.50 0.00 0.00 -0.00 0.00 0.00 57.45 58.14 1xyl n PHE 560 Cb 0.15 -2.44 0.00 0.00 -0.00 0.00 0.00 39.48 37.19 1xyl n PHE 560 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1xyl n GLY 561 N 1.32 0.70 3.76 7.13 0.00 -1.26 -5.03 105.19 111.81 1xyl n GLY 561 Ca 0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 1xyl n GLY 561 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1xyl n SER 562 N -0.01 3.26 -4.79 1.61 7.64 -0.56 -5.01 113.62 115.76 1xyl n SER 562 Ca 0.00 1.10 -0.30 0.00 1.01 0.00 0.00 58.87 60.68 1xyl n SER 562 Cb 0.01 -1.60 0.10 0.00 -1.01 0.00 0.00 64.21 61.70 1xyl n SER 562 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1xyl s SER 563 N -0.53 4.37 0.57 6.43 1.04 -1.26 -4.74 113.70 119.58 1xyl s SER 563 Ca 0.63 1.36 0.29 0.00 0.48 0.00 0.00 55.95 58.71 1xyl s SER 563 Cb -0.44 -2.09 1.74 0.00 0.10 0.00 0.00 66.02 65.32 1xyl s SER 563 CO 0.56 -2.05 2.22 0.44 0.98 0.00 0.00 173.24 175.39 1xyl h ASP 564 N -1.14 0.00 0.47 7.02 3.32 -1.98 0.13 116.42 124.24 1xyl h ASP 564 Ca -0.47 0.00 -0.30 0.00 0.02 0.00 0.00 57.03 56.27 1xyl h ASP 564 Cb 1.27 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.84 1xyl h ASP 564 CO 0.58 0.03 -1.36 0.71 -1.72 0.00 0.00 179.24 177.48 1xyl h THR 565 N 0.00 1.39 -0.37 0.35 1.35 -1.99 -0.48 112.91 113.17 1xyl h THR 565 Ca -0.00 -2.90 -0.02 0.00 -0.55 0.00 0.00 66.41 62.94 1xyl h THR 565 Cb 0.07 2.98 -0.02 0.00 -1.73 0.00 0.00 68.15 69.46 1xyl h THR 565 CO 0.00 0.86 0.15 -0.33 -0.25 0.00 0.00 175.52 175.95 1xyl h GLU 566 N 0.11 0.56 -0.10 4.72 5.08 -1.71 -1.59 114.58 121.63 1xyl h GLU 566 Ca -0.19 -0.10 0.04 0.00 -1.00 0.00 0.00 59.36 58.11 1xyl h GLU 566 Cb 2.06 -0.09 -0.06 0.00 0.50 0.00 0.00 28.75 31.17 1xyl h GLU 566 CO 0.23 0.53 -0.27 -0.09 -1.00 0.00 0.00 179.01 178.42 1xyl h ARG 567 N 0.46 -0.34 -0.69 2.33 2.43 -0.79 -1.71 114.38 116.07 1xyl h ARG 567 Ca 0.12 0.02 0.15 0.00 -0.81 0.00 0.00 59.98 59.46 1xyl h ARG 567 Cb 0.18 0.08 -0.11 0.00 -0.42 0.00 0.00 29.97 29.70 1xyl h ARG 567 CO -0.01 -0.22 0.12 1.49 -1.51 0.00 0.00 179.97 179.84 1xyl h GLU 568 N -0.35 0.22 -0.43 0.20 4.22 -0.81 -2.23 114.58 115.40 1xyl h GLU 568 Ca 0.09 -0.01 -0.11 0.00 0.08 0.00 0.00 59.36 59.41 1xyl h GLU 568 Cb 0.49 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 1xyl h GLU 568 CO -0.30 0.15 -0.18 1.03 -2.18 0.00 0.00 179.01 177.52 1xyl h SER 569 N 0.23 0.84 -0.31 1.04 0.87 -0.94 -0.53 113.55 114.75 1xyl h SER 569 Ca 0.38 -0.29 -0.04 0.00 -1.23 0.00 0.00 61.79 60.60 1xyl h SER 569 Cb 0.63 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.35 1xyl h SER 569 CO -0.50 1.01 0.03 0.45 -0.53 0.00 0.00 176.83 177.29 1xyl h HIS 570 N 0.73 0.57 -0.37 2.24 3.86 -0.74 -2.10 115.15 119.34 1xyl h HIS 570 Ca 0.11 -0.09 -0.06 0.00 -1.16 0.00 0.00 60.37 59.17 1xyl h HIS 570 Cb 0.70 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 29.00 1xyl h HIS 570 CO 0.04 0.64 -0.00 0.82 0.86 0.00 0.00 177.93 180.28 1xyl h ILE 571 N 0.34 1.26 0.13 2.45 2.04 -1.42 -2.09 117.51 120.23 1xyl h ILE 571 Ca 0.09 -1.00 0.01 0.00 1.00 0.00 0.00 64.86 64.96 1xyl h ILE 571 Cb 0.39 1.17 -0.02 0.00 -0.74 0.00 0.00 36.82 37.62 1xyl h ILE 571 CO 0.01 0.33 -0.15 0.50 0.00 0.00 0.00 178.15 178.85 1xyl h LYS 572 N 0.48 -0.30 0.00 2.37 3.64 -1.06 -0.28 116.57 121.43 1xyl h LYS 572 Ca 0.11 0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.47 1xyl h LYS 572 Cb 0.47 0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.35 1xyl h LYS 572 CO 0.02 -0.20 -0.15 0.07 -2.27 0.00 0.00 179.45 176.92 1xyl h ARG 573 N -0.31 0.00 -0.03 1.90 0.11 -1.38 -2.25 114.38 112.42 1xyl h ARG 573 Ca 0.01 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.07 1xyl h ARG 573 Cb 0.31 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.39 1xyl h ARG 573 CO -0.06 0.15 -0.05 0.35 0.10 0.00 0.00 179.97 180.47 1xyl h PHE 574 N 0.00 0.11 -0.11 4.08 3.57 -0.98 -2.90 116.94 120.71 1xyl h PHE 574 Ca -0.00 -0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.44 1xyl h PHE 574 Cb 0.59 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.30 1xyl h PHE 574 CO 0.00 0.61 -0.02 -0.09 -2.23 0.00 0.00 178.31 176.58 1xyl h ARG 575 N -0.42 0.15 -0.07 1.11 2.43 -0.88 -0.44 114.38 116.28 1xyl h ARG 575 Ca 0.00 -0.02 -0.15 0.00 -0.81 0.00 0.00 59.98 59.01 1xyl h ARG 575 Cb 0.60 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.11 1xyl h ARG 575 CO 0.01 0.19 -0.61 -0.56 -1.51 0.00 0.00 179.97 177.50 1xyl h GLN 576 N 0.15 0.23 -0.12 0.20 3.07 -1.40 -1.24 115.11 116.01 1xyl h GLN 576 Ca 0.04 -0.16 -0.16 0.00 0.09 0.00 0.00 58.65 58.46 1xyl h GLN 576 Cb 0.15 0.02 -0.01 0.00 0.08 0.00 0.00 27.48 27.72 1xyl h GLN 576 CO 0.00 0.76 -0.61 0.00 0.09 0.00 0.00 178.83 179.07 1xyl h ALA 577 N 1.20 0.72 0.16 0.06 0.00 -0.90 -1.57 119.26 118.93 1xyl h ALA 577 Ca -0.01 -0.55 -0.01 0.00 0.00 0.00 0.00 54.91 54.35 1xyl h ALA 577 Cb 1.11 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1xyl h ALA 577 CO 0.09 0.72 -0.08 -0.07 0.00 0.00 0.00 179.25 179.92 1xyl h LEU 578 N 0.30 -0.18 -0.88 0.00 4.07 -1.11 -2.13 115.31 115.38 1xyl h LEU 578 Ca -0.01 -0.14 -0.01 0.00 0.08 0.00 0.00 57.88 57.80 1xyl h LEU 578 Cb 1.15 0.05 -0.04 0.00 1.08 0.00 0.00 40.66 42.90 1xyl h LEU 578 CO 0.11 0.03 0.50 0.44 -1.08 0.00 0.00 178.44 178.44 1xyl h ASP 579 N -0.39 1.08 0.26 -0.43 3.32 -1.18 -0.80 116.42 118.27 1xyl h ASP 579 Ca -0.02 -0.09 -0.04 0.00 0.02 0.00 0.00 57.03 56.91 1xyl h ASP 579 Cb 0.30 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 1xyl h ASP 579 CO 0.04 0.85 -0.17 0.00 -1.72 0.00 0.00 179.24 178.24 1xyl h ALA 580 N 1.27 1.51 0.00 3.45 0.00 -1.13 -3.21 119.26 121.16 1xyl h ALA 580 Ca 0.31 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1xyl h ALA 580 Cb -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1xyl h ALA 580 CO -0.05 0.21 -1.69 0.25 0.00 0.00 0.00 179.25 177.96 1xyl n THR 581 N -4.03 0.00 -0.95 0.00 -2.24 -0.82 -4.98 114.28 101.26 1xyl n THR 581 Ca -0.02 -0.36 0.00 0.00 -2.27 0.00 0.00 64.05 61.39 1xyl n THR 581 Cb 0.25 0.26 0.00 0.00 -2.10 0.00 0.00 70.33 68.74 1xyl n THR 581 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xyl n GLY 582 N 1.38 0.45 3.79 3.38 0.00 -0.35 -5.05 105.19 108.79 1xyl n GLY 582 Ca -0.02 -0.68 -0.37 0.00 0.00 0.00 0.00 46.02 44.95 1xyl n GLY 582 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1xyl s MET 583 N -1.26 4.53 0.38 1.61 -1.94 -1.08 -4.98 119.30 116.57 1xyl s MET 583 Ca 0.00 1.24 0.08 0.00 -1.71 0.00 0.00 55.69 55.30 1xyl s MET 583 Cb 0.00 -2.85 -0.04 0.00 2.01 0.00 0.00 34.83 33.95 1xyl s MET 583 CO 0.00 0.32 0.20 0.95 -0.01 0.00 0.00 175.02 176.49 1xyl s THR 584 N -1.56 2.71 -0.42 2.05 -4.23 -1.08 -4.71 115.64 108.40 1xyl s THR 584 Ca 0.48 -1.62 0.03 0.00 -1.18 0.00 0.00 61.69 59.40 1xyl s THR 584 Cb -0.19 -2.99 0.11 0.00 1.34 0.00 0.00 72.50 70.77 1xyl s THR 584 CO 0.24 -0.08 0.15 -0.69 -0.54 0.00 0.00 174.62 173.70 1xyl s VAL 585 N -2.49 2.22 -0.25 2.29 1.01 -1.26 -1.18 120.40 120.74 1xyl s VAL 585 Ca 0.41 -2.68 0.20 0.00 0.00 0.00 0.00 61.98 59.91 1xyl s VAL 585 Cb -0.00 -2.60 0.22 0.00 0.00 0.00 0.00 36.38 34.00 1xyl s VAL 585 CO 0.24 -0.71 1.58 -0.65 0.00 0.00 0.00 175.10 175.56 1xyl h PRO 586 N 7.13 0.00 -3.22 2.72 0.11 -1.85 -2.97 132.00 133.92 1xyl h PRO 586 Ca -0.06 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.96 1xyl h PRO 586 Cb 0.96 0.00 -0.17 0.00 0.11 0.00 0.00 31.00 31.90 1xyl h PRO 586 CO 0.58 0.22 -0.23 1.41 -0.21 0.00 0.00 178.00 179.78 1xyl s MET 587 N -3.17 0.81 0.17 1.05 0.00 -1.26 -1.28 119.30 115.62 1xyl s MET 587 Ca 0.05 -0.44 -0.13 0.00 0.00 0.00 0.00 55.69 55.17 1xyl s MET 587 Cb 0.07 0.35 0.01 0.00 0.00 0.00 0.00 34.83 35.26 1xyl s MET 587 CO 0.69 -0.26 0.39 0.00 0.00 0.00 0.00 175.02 175.84 1xyl s ALA 588 N -2.36 -0.50 0.27 4.11 0.00 -1.00 -3.89 121.76 118.38 1xyl s ALA 588 Ca -0.06 -0.51 -0.12 0.00 0.00 0.00 0.00 51.96 51.26 1xyl s ALA 588 Cb -0.01 0.82 0.00 0.00 0.00 0.00 0.00 23.12 23.93 1xyl s ALA 588 CO -0.02 -0.71 0.52 -0.08 0.00 0.00 0.00 175.76 175.47 1xyl s THR 589 N -3.91 0.00 -0.07 0.00 -1.32 -0.39 -1.70 115.64 108.26 1xyl s THR 589 Ca 0.12 -1.37 -0.03 0.00 -1.21 0.00 0.00 61.69 59.20 1xyl s THR 589 Cb 0.01 -2.28 -0.04 0.00 -1.51 0.00 0.00 72.50 68.68 1xyl s THR 589 CO -0.03 0.00 0.06 -0.89 -2.21 0.00 0.00 174.62 171.55 1xyl s THR 590 N -3.79 4.75 -0.51 5.08 2.01 -1.26 -2.09 115.64 119.84 1xyl s THR 590 Ca 0.22 -0.19 -0.23 0.00 0.31 0.00 0.00 61.69 61.80 1xyl s THR 590 Cb -0.01 -3.08 0.04 0.00 0.01 0.00 0.00 72.50 69.46 1xyl s THR 590 CO 0.10 0.52 0.84 0.21 -0.69 0.00 0.00 174.62 175.61 1xyl s ASN 591 N -1.22 6.36 -0.40 3.53 3.84 -1.26 -4.85 114.94 120.94 1xyl s ASN 591 Ca 0.17 -0.32 0.05 0.00 0.21 0.00 0.00 52.86 52.96 1xyl s ASN 591 Cb -0.12 -2.40 0.45 0.00 -0.55 0.00 0.00 41.25 38.64 1xyl s ASN 591 CO 0.07 -1.07 1.39 0.18 -2.79 0.00 0.00 177.10 174.88 1xyl n LEU 592 N 7.02 5.57 0.00 3.21 4.77 -1.26 -4.74 117.00 131.57 1xyl n LEU 592 Ca 0.01 -4.69 0.00 0.00 -0.03 0.00 0.00 56.01 51.30 1xyl n LEU 592 Cb 0.47 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 1xyl n LEU 592 CO 0.61 1.97 0.00 2.22 -1.33 0.00 0.00 177.39 180.86 1xyl n PHE 593 N -0.73 0.00 -0.03 -1.77 1.16 -1.26 -4.47 117.46 110.36 1xyl n PHE 593 Ca 0.48 0.00 -0.14 0.00 -1.87 0.00 0.00 57.45 55.92 1xyl n PHE 593 Cb 0.86 0.00 -0.11 0.00 -1.61 0.00 0.00 39.48 38.62 1xyl n PHE 593 CO 0.00 0.00 0.00 1.15 -1.87 0.00 0.00 176.76 176.04 1xyl h THR 594 N 0.00 1.53 -3.91 1.97 2.02 -1.94 -3.46 112.91 109.12 1xyl h THR 594 Ca 0.00 -1.62 -0.53 0.00 0.77 0.00 0.00 66.41 65.03 1xyl h THR 594 Cb 0.00 2.60 0.08 0.00 -1.74 0.00 0.00 68.15 69.09 1xyl h THR 594 CO 0.00 0.43 0.68 -2.28 0.37 0.00 0.00 175.52 174.72 1xyl s HIS 595 N -3.50 2.85 0.41 3.16 2.46 -1.26 -4.91 115.29 114.50 1xyl s HIS 595 Ca -0.17 1.33 0.38 0.00 0.47 0.00 0.00 55.06 57.07 1xyl s HIS 595 Cb 0.00 -3.80 2.07 0.00 -0.13 0.00 0.00 32.58 30.72 1xyl s HIS 595 CO 0.69 -2.29 2.17 -1.00 -2.47 0.00 0.00 174.74 171.84 1xyl h PRO 596 N 3.13 0.00 0.00 2.88 0.13 -2.02 -1.17 132.00 134.95 1xyl h PRO 596 Ca -0.50 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.60 1xyl h PRO 596 Cb 1.23 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.36 1xyl h PRO 596 CO 0.64 0.00 -0.14 -0.24 -0.23 0.00 0.00 178.00 178.04 1xyl h VAL 597 N 0.00 0.69 -0.36 1.56 3.04 -1.96 -2.52 116.25 116.69 1xyl h VAL 597 Ca 0.00 -0.57 -0.06 0.00 -1.01 0.00 0.00 66.70 65.06 1xyl h VAL 597 Cb 0.00 1.35 -0.04 0.00 -2.01 0.00 0.00 31.29 30.60 1xyl h VAL 597 CO 0.00 0.13 0.08 0.49 -1.01 0.00 0.00 177.57 177.26 1xyl n PHE 598 N -3.78 1.24 0.26 3.17 3.72 -0.44 -4.53 117.46 117.10 1xyl n PHE 598 Ca -0.02 -0.57 0.14 0.00 -0.05 0.00 0.00 57.45 56.95 1xyl n PHE 598 Cb 0.24 -0.39 0.68 0.00 -0.94 0.00 0.00 39.48 39.07 1xyl n PHE 598 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 1xyl h LYS 599 N 1.79 0.00 -0.36 -1.08 2.10 -1.62 -0.39 116.57 117.01 1xyl h LYS 599 Ca 0.08 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.67 1xyl h LYS 599 Cb 1.45 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.75 1xyl h LYS 599 CO 0.34 0.10 0.02 -3.47 -2.00 0.00 0.00 179.45 174.45 1xyl n ASP 600 N -3.33 3.93 0.00 7.07 2.03 -1.26 -5.05 116.55 119.93 1xyl n ASP 600 Ca -0.01 -3.15 0.00 0.00 0.52 0.00 0.00 54.79 52.15 1xyl n ASP 600 Cb 0.30 -0.60 0.00 0.00 -0.72 0.00 0.00 41.12 40.11 1xyl n ASP 600 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1xyl n GLY 601 N -0.48 1.28 0.00 0.27 0.00 -0.16 -3.79 105.19 102.31 1xyl n GLY 601 Ca 0.26 -2.12 0.00 0.00 0.00 0.00 0.00 46.02 44.16 1xyl n GLY 601 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xyl n GLY 602 N 0.34 0.04 0.27 -0.02 0.00 -1.26 -4.40 105.19 100.15 1xyl n GLY 602 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.17 1xyl n GLY 602 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1xyl h PHE 603 N 0.00 0.00 0.00 1.61 0.04 -1.91 -3.02 116.94 113.66 1xyl h PHE 603 Ca 0.00 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.77 1xyl h PHE 603 Cb 0.00 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.15 1xyl h PHE 603 CO 0.00 0.08 -0.17 0.25 -0.60 0.00 0.00 178.31 177.87 1xyl n THR 604 N -3.24 1.94 -1.68 -1.55 -2.24 -1.26 -4.46 114.28 101.78 1xyl n THR 604 Ca -0.00 -2.51 -0.42 0.00 -2.27 0.00 0.00 64.05 58.85 1xyl n THR 604 Cb 0.31 -0.22 0.01 0.00 -2.10 0.00 0.00 70.33 68.33 1xyl n THR 604 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xyl n ALA 605 N -1.30 1.00 0.04 6.98 0.00 -1.14 -4.87 120.51 121.22 1xyl n ALA 605 Ca 0.17 0.29 0.02 0.00 0.00 0.00 0.00 53.44 53.91 1xyl n ALA 605 Cb 0.66 -2.21 0.36 0.00 0.00 0.00 0.00 19.45 18.25 1xyl n ALA 605 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1xyl h ASN 606 N 2.08 0.39 -3.07 0.00 2.35 -1.94 -3.42 115.58 111.97 1xyl h ASN 606 Ca -0.46 -0.06 -0.55 0.00 -0.55 0.00 0.00 56.30 54.67 1xyl h ASN 606 Cb 1.30 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 39.55 1xyl h ASN 606 CO 0.60 0.45 0.72 -1.81 -1.65 0.00 0.00 177.43 175.74 1xyl s ASP 607 N -6.78 7.05 0.23 5.81 1.01 -1.26 -4.95 116.67 117.77 1xyl s ASP 607 Ca -0.07 1.79 -0.02 0.00 0.71 0.00 0.00 52.55 54.96 1xyl s ASP 607 Cb 0.16 -2.56 0.24 0.00 1.01 0.00 0.00 42.92 41.77 1xyl s ASP 607 CO 0.75 -0.60 1.62 -0.09 0.21 0.00 0.00 175.17 177.06 1xyl h ARG 608 N 7.52 0.60 -0.22 8.23 2.43 -2.00 -2.50 114.38 128.45 1xyl h ARG 608 Ca -0.33 -0.28 -0.08 0.00 -0.81 0.00 0.00 59.98 58.49 1xyl h ARG 608 Cb 1.15 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.68 1xyl h ARG 608 CO 0.89 0.85 -0.20 0.38 -1.51 0.00 0.00 179.97 180.38 1xyl h ASP 609 N 0.51 0.38 -0.31 -3.80 3.04 -1.97 -2.33 116.42 111.94 1xyl h ASP 609 Ca 0.06 -0.11 -0.17 0.00 -3.24 0.00 0.00 57.03 53.57 1xyl h ASP 609 Cb 0.82 -0.10 -0.00 0.00 -1.04 0.00 0.00 39.33 39.00 1xyl h ASP 609 CO 0.07 0.59 -0.44 0.58 -2.04 0.00 0.00 179.24 178.00 1xyl h VAL 610 N 0.35 1.28 -0.42 4.15 2.07 -1.89 -2.25 116.25 119.53 1xyl h VAL 610 Ca 0.06 -1.62 -0.01 0.00 0.82 0.00 0.00 66.70 65.95 1xyl h VAL 610 Cb 0.55 1.48 -0.02 0.00 -1.52 0.00 0.00 31.29 31.78 1xyl h VAL 610 CO 0.04 0.53 0.21 0.03 0.02 0.00 0.00 177.57 178.41 1xyl h ARG 611 N 0.71 0.58 -0.27 1.57 3.08 -1.12 -1.81 114.38 117.11 1xyl h ARG 611 Ca 0.04 -0.06 -0.11 0.00 0.07 0.00 0.00 59.98 59.93 1xyl h ARG 611 Cb 1.03 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.96 1xyl h ARG 611 CO 0.10 0.44 -0.25 0.00 -1.07 0.00 0.00 179.97 179.19 1xyl h ARG 612 N 0.58 0.64 -0.76 0.04 3.08 -1.19 -2.12 114.38 114.65 1xyl h ARG 612 Ca 0.15 -0.33 0.04 0.00 0.07 0.00 0.00 59.98 59.90 1xyl h ARG 612 Cb 0.04 0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.06 1xyl h ARG 612 CO -0.02 0.93 0.48 -0.92 -1.07 0.00 0.00 179.97 179.37 1xyl h TYR 613 N 0.37 0.89 -0.59 3.04 3.20 -1.17 -0.43 116.97 122.28 1xyl h TYR 613 Ca 0.04 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.91 1xyl h TYR 613 Cb 0.81 -0.29 -0.03 0.00 1.54 0.00 0.00 36.73 38.76 1xyl h TYR 613 CO 0.07 0.50 0.24 0.00 -1.64 0.00 0.00 178.16 177.33 1xyl h ALA 614 N 1.33 0.76 -0.29 1.82 0.00 -1.21 0.82 119.26 122.49 1xyl h ALA 614 Ca 0.31 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 1xyl h ALA 614 Cb 0.05 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1xyl h ALA 614 CO -0.12 0.37 -0.22 -0.07 0.00 0.00 0.00 179.25 179.20 1xyl h LEU 615 N 0.81 0.54 -0.47 0.00 3.38 -0.89 -1.73 115.31 116.95 1xyl h LEU 615 Ca 0.20 -0.18 -0.15 0.00 0.09 0.00 0.00 57.88 57.83 1xyl h LEU 615 Cb 0.19 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1xyl h LEU 615 CO -0.02 0.77 -0.39 0.03 0.09 0.00 0.00 178.44 178.91 1xyl h ARG 616 N 0.48 0.83 -0.49 1.13 2.47 -0.05 -1.51 114.38 117.24 1xyl h ARG 616 Ca 0.07 -0.44 -0.03 0.00 -1.26 0.00 0.00 59.98 58.33 1xyl h ARG 616 Cb 0.65 0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 28.96 1xyl h ARG 616 CO 0.05 1.07 0.18 -0.22 0.56 0.00 0.00 179.97 181.61 1xyl h LYS 617 N 0.68 0.75 -0.06 0.04 3.64 -0.76 -2.61 116.57 118.25 1xyl h LYS 617 Ca 0.05 -0.15 -0.00 0.00 -1.27 0.00 0.00 60.65 59.28 1xyl h LYS 617 Cb 0.96 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.67 1xyl h LYS 617 CO 0.09 0.69 0.03 1.15 -2.27 0.00 0.00 179.45 179.13 1xyl h THR 618 N 0.66 1.12 -0.81 1.00 2.02 -1.18 -3.00 112.91 112.71 1xyl h THR 618 Ca 0.16 -0.34 0.01 0.00 0.77 0.00 0.00 66.41 67.01 1xyl h THR 618 Cb 0.23 1.24 -0.04 0.00 -1.74 0.00 0.00 68.15 67.84 1xyl h THR 618 CO -0.01 0.10 0.54 0.40 0.37 0.00 0.00 175.52 176.92 1xyl h ILE 619 N -0.03 1.21 -0.94 3.11 2.04 -1.16 -1.16 117.51 120.58 1xyl h ILE 619 Ca 0.02 -0.38 0.14 0.00 1.00 0.00 0.00 64.86 65.64 1xyl h ILE 619 Cb 0.13 0.02 -0.09 0.00 -0.74 0.00 0.00 36.82 36.14 1xyl h ILE 619 CO -0.00 0.20 0.56 -0.09 0.00 0.00 0.00 178.15 178.82 1xyl h ARG 620 N 1.10 0.81 0.00 2.37 2.43 -1.48 -1.33 114.38 118.27 1xyl h ARG 620 Ca 0.30 -0.05 -0.10 0.00 -0.81 0.00 0.00 59.98 59.32 1xyl h ARG 620 Cb -0.13 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.23 1xyl h ARG 620 CO -0.06 0.53 -0.57 -0.97 -1.51 0.00 0.00 179.97 177.39 1xyl h ASN 621 N 0.83 0.00 -0.90 -3.80 -1.24 -1.19 -3.00 115.58 106.27 1xyl h ASN 621 Ca 0.49 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.49 1xyl h ASN 621 Cb 0.59 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 39.60 1xyl h ASN 621 CO -0.31 0.47 0.51 0.40 -1.29 0.00 0.00 177.43 177.21 1xyl h ILE 622 N 0.00 1.25 -0.43 2.57 2.04 -0.12 -0.76 117.51 122.07 1xyl h ILE 622 Ca -0.02 -0.60 -0.03 0.00 1.00 0.00 0.00 64.86 65.21 1xyl h ILE 622 Cb 1.37 0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 37.45 1xyl h ILE 622 CO 0.06 0.28 0.15 0.44 0.00 0.00 0.00 178.15 179.08 1xyl h ASP 623 N 1.25 0.60 -0.38 1.72 3.32 -1.34 -1.82 116.42 119.78 1xyl h ASP 623 Ca 0.32 -0.19 -0.10 0.00 0.02 0.00 0.00 57.03 57.08 1xyl h ASP 623 Cb -0.00 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.38 1xyl h ASP 623 CO -0.05 0.63 -0.17 0.25 -1.72 0.00 0.00 179.24 178.17 1xyl h LEU 624 N 0.55 0.81 -0.55 1.55 5.85 -1.38 -2.81 115.31 119.33 1xyl h LEU 624 Ca 0.14 -0.40 0.02 0.00 0.84 0.00 0.00 57.88 58.48 1xyl h LEU 624 Cb 0.22 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 1xyl h LEU 624 CO -0.01 1.03 0.34 0.00 -0.34 0.00 0.00 178.44 179.46 1xyl h ALA 625 N 0.81 0.71 -1.00 1.25 0.00 -0.89 -1.99 119.26 118.15 1xyl h ALA 625 Ca 0.09 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.99 1xyl h ALA 625 Cb 0.72 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.29 1xyl h ALA 625 CO 0.05 0.06 0.66 0.28 0.00 0.00 0.00 179.25 180.30 1xyl h VAL 626 N 0.67 1.26 -1.00 0.00 2.07 -1.31 -0.82 116.25 117.11 1xyl h VAL 626 Ca 0.22 -0.47 0.04 0.00 0.82 0.00 0.00 66.70 67.31 1xyl h VAL 626 Cb 0.01 -0.21 -0.06 0.00 -1.52 0.00 0.00 31.29 29.51 1xyl h VAL 626 CO -0.09 0.25 0.66 -0.33 0.02 0.00 0.00 177.57 178.08 1xyl h GLU 627 N 1.35 1.23 0.00 1.57 5.08 -1.11 -1.28 114.58 121.42 1xyl h GLU 627 Ca 0.36 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.65 1xyl h GLU 627 Cb -0.15 -0.28 0.00 0.00 0.50 0.00 0.00 28.75 28.82 1xyl h GLU 627 CO -0.08 0.81 0.00 1.28 -1.00 0.00 0.00 179.01 180.02 1xyl n LEU 628 N -4.44 0.00 0.00 1.33 4.32 -0.89 -4.92 117.00 112.40 1xyl n LEU 628 Ca 0.14 0.05 0.00 0.00 -0.02 0.00 0.00 56.01 56.18 1xyl n LEU 628 Cb 0.10 -0.05 0.00 0.00 -1.62 0.00 0.00 43.42 41.85 1xyl n LEU 628 CO 0.34 -0.00 0.00 0.61 -1.22 0.00 0.00 177.39 177.12 1xyl n GLY 629 N 0.99 0.80 3.75 -0.72 0.00 -0.48 -4.41 105.19 105.12 1xyl n GLY 629 Ca 0.22 -0.22 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1xyl n GLY 629 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xyl s ALA 630 N -2.00 3.44 -0.20 4.61 0.00 -0.35 -4.71 121.76 122.54 1xyl s ALA 630 Ca 0.00 0.99 0.16 0.00 0.00 0.00 0.00 51.96 53.11 1xyl s ALA 630 Cb 0.00 -3.39 -0.23 0.00 0.00 0.00 0.00 23.12 19.50 1xyl s ALA 630 CO 0.00 -0.34 0.43 1.63 0.00 0.00 0.00 175.76 177.48 1xyl n LYS 631 N 1.63 0.83 -4.92 0.00 4.01 -0.40 -4.54 118.16 114.76 1xyl n LYS 631 Ca 0.01 -0.11 -0.28 0.00 -0.51 0.00 0.00 58.31 57.42 1xyl n LYS 631 Cb 0.44 -1.35 -0.16 0.00 -0.51 0.00 0.00 35.03 33.45 1xyl n LYS 631 CO 0.00 0.00 0.00 0.99 -1.11 0.00 0.00 177.40 177.28 1xyl s THR 632 N -2.96 1.59 -0.22 -0.18 2.01 -0.99 -1.50 115.64 113.39 1xyl s THR 632 Ca -0.03 -0.78 0.00 0.00 0.31 0.00 0.00 61.69 61.19 1xyl s THR 632 Cb 0.11 -1.38 0.03 0.00 0.01 0.00 0.00 72.50 71.27 1xyl s THR 632 CO 0.66 0.45 -0.12 -0.47 -0.69 0.00 0.00 174.62 174.46 1xyl s TYR 633 N 0.22 3.00 0.08 4.92 5.04 0.27 -2.38 117.35 128.50 1xyl s TYR 633 Ca -0.10 -1.71 -0.17 0.00 -2.44 0.00 0.00 57.07 52.66 1xyl s TYR 633 Cb -0.14 -1.99 -0.07 0.00 0.35 0.00 0.00 41.96 40.12 1xyl s TYR 633 CO 0.04 -0.78 0.53 0.08 -1.34 0.00 0.00 175.55 174.08 1xyl s VAL 634 N 1.28 4.84 -0.28 3.14 1.01 -0.69 -0.91 120.40 128.79 1xyl s VAL 634 Ca 0.00 1.02 0.03 0.00 0.00 0.00 0.00 61.98 63.03 1xyl s VAL 634 Cb -0.16 -3.81 0.07 0.00 0.00 0.00 0.00 36.38 32.48 1xyl s VAL 634 CO -0.08 0.47 -0.07 0.00 0.00 0.00 0.00 175.10 175.42 1xyl s ALA 635 N -1.21 2.66 -0.37 5.51 0.00 -0.49 -4.14 121.76 123.72 1xyl s ALA 635 Ca 0.30 -1.94 -0.06 0.00 0.00 0.00 0.00 51.96 50.26 1xyl s ALA 635 Cb -0.18 -1.70 0.06 0.00 0.00 0.00 0.00 23.12 21.31 1xyl s ALA 635 CO 0.18 -1.32 0.15 -0.46 0.00 0.00 0.00 175.76 174.32 1xyl s TRP 636 N 1.07 3.33 -1.35 0.00 -0.00 -1.26 -1.76 118.94 118.96 1xyl s TRP 636 Ca -0.04 -1.66 -0.10 0.00 -0.00 0.00 0.00 56.10 54.30 1xyl s TRP 636 Cb -0.20 -2.60 0.12 0.00 -0.00 0.00 0.00 33.47 30.79 1xyl s TRP 636 CO -0.05 -0.81 2.07 0.41 -0.00 0.00 0.00 176.95 178.57 1xyl n GLY 637 N 4.79 4.70 0.30 5.86 0.00 -1.26 -4.79 105.19 114.79 1xyl n GLY 637 Ca -0.10 -1.93 0.16 0.00 0.00 0.00 0.00 46.02 44.15 1xyl n GLY 637 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1xyl h GLY 638 N 8.17 0.00 -1.73 -0.02 0.00 -1.93 -2.46 103.07 105.10 1xyl h GLY 638 Ca 0.49 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.82 1xyl h GLY 638 CO 1.69 0.00 0.00 0.54 0.00 0.00 0.00 176.54 178.77 1xyl n ARG 639 N -3.61 2.08 -2.76 4.80 5.12 -1.26 -3.97 116.66 117.06 1xyl n ARG 639 Ca -0.03 -1.94 -0.43 0.00 -1.93 0.00 0.00 57.85 53.53 1xyl n ARG 639 Cb 0.12 -1.39 -0.04 0.00 -1.16 0.00 0.00 32.46 30.00 1xyl n ARG 639 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1xyl s GLU 640 N -1.28 3.46 0.00 5.56 0.41 -0.93 -2.56 118.70 123.36 1xyl s GLU 640 Ca 0.28 0.04 0.00 0.00 -0.41 0.00 0.00 54.97 54.88 1xyl s GLU 640 Cb 0.17 -4.00 0.00 0.00 -1.78 0.00 0.00 34.13 28.52 1xyl s GLU 640 CO 0.24 -1.45 0.00 0.41 -0.49 0.00 0.00 175.26 173.97 1xyl n GLY 641 N 5.03 -0.57 3.51 -1.39 0.00 -1.26 -1.33 105.19 109.18 1xyl n GLY 641 Ca 0.05 -0.68 -0.11 0.00 0.00 0.00 0.00 46.02 45.29 1xyl n GLY 641 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xyl s ALA 642 N -1.00 -1.81 -0.72 4.61 0.00 -0.97 -4.87 121.76 117.00 1xyl s ALA 642 Ca 0.00 1.11 0.18 0.00 0.00 0.00 0.00 51.96 53.25 1xyl s ALA 642 Cb 0.00 0.17 -0.20 0.00 0.00 0.00 0.00 23.12 23.08 1xyl s ALA 642 CO 0.00 -0.57 0.70 0.39 0.00 0.00 0.00 175.76 176.28 1xyl n GLU 643 N 0.11 1.09 -4.04 0.00 4.71 -1.26 -1.89 120.64 119.36 1xyl n GLU 643 Ca -0.11 -0.02 -0.08 0.00 -0.01 0.00 0.00 57.16 56.93 1xyl n GLU 643 Cb 0.61 -1.35 -0.10 0.00 -1.01 0.00 0.00 31.44 29.59 1xyl n GLU 643 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 1xyl s SER 644 N -2.86 0.38 0.11 1.62 1.04 -1.26 -4.93 113.70 107.81 1xyl s SER 644 Ca 0.05 -0.82 -0.17 0.00 0.48 0.00 0.00 55.95 55.49 1xyl s SER 644 Cb 0.13 0.19 -0.03 0.00 0.10 0.00 0.00 66.02 66.41 1xyl s SER 644 CO 0.73 -0.53 1.60 1.23 0.98 0.00 0.00 173.24 177.25 1xyl h GLY 645 N 3.50 0.61 0.45 7.32 0.00 -1.95 -3.17 103.07 109.83 1xyl h GLY 645 Ca -0.33 -0.39 0.00 0.00 0.00 0.00 0.00 47.33 46.60 1xyl h GLY 645 CO 0.58 0.36 -0.08 0.00 0.00 0.00 0.00 176.54 177.41 1xyl n ALA 646 N -2.34 2.74 0.24 3.60 0.00 -1.26 -4.08 120.51 119.41 1xyl n ALA 646 Ca -0.01 -0.32 0.12 0.00 0.00 0.00 0.00 53.44 53.23 1xyl n ALA 646 Cb 0.21 -1.29 0.57 0.00 0.00 0.00 0.00 19.45 18.94 1xyl n ALA 646 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xyl h ALA 647 N 3.90 1.06 -2.91 0.00 0.00 -1.99 -3.41 119.26 115.92 1xyl h ALA 647 Ca 0.00 -0.14 -0.33 0.00 0.00 0.00 0.00 54.91 54.45 1xyl h ALA 647 Cb 0.35 -0.02 -0.37 0.00 0.00 0.00 0.00 17.79 17.75 1xyl h ALA 647 CO 0.00 0.19 -0.65 0.21 0.00 0.00 0.00 179.25 179.00 1xyl s LYS 648 N -3.76 0.08 -0.46 0.00 2.47 -1.26 -4.99 119.74 111.82 1xyl s LYS 648 Ca -0.00 0.36 -0.29 0.00 -1.56 0.00 0.00 55.97 54.48 1xyl s LYS 648 Cb 0.11 -0.78 0.03 0.00 -1.46 0.00 0.00 37.83 35.72 1xyl s LYS 648 CO 0.60 -0.47 1.16 0.34 0.16 0.00 0.00 175.35 177.14 1xyl s ASP 649 N 2.28 6.63 0.35 1.43 -1.08 -1.26 -4.93 116.67 120.08 1xyl s ASP 649 Ca 0.04 0.54 0.13 0.00 -0.52 0.00 0.00 52.55 52.75 1xyl s ASP 649 Cb -0.14 -2.55 0.63 0.00 -1.46 0.00 0.00 42.92 39.40 1xyl s ASP 649 CO -0.08 -1.24 1.76 0.58 0.52 0.00 0.00 175.17 176.70 1xyl h VAL 650 N 6.21 1.26 -0.29 1.11 2.07 -1.98 -0.12 116.25 124.51 1xyl h VAL 650 Ca -0.23 -1.55 -0.13 0.00 0.82 0.00 0.00 66.70 65.61 1xyl h VAL 650 Cb 1.06 1.85 -0.01 0.00 -1.52 0.00 0.00 31.29 32.67 1xyl h VAL 650 CO 1.12 0.43 -0.36 0.03 0.02 0.00 0.00 177.57 178.81 1xyl h ARG 651 N 0.00 0.65 0.03 1.57 3.08 -1.99 -1.68 114.38 116.03 1xyl h ARG 651 Ca -0.00 -0.31 -0.27 0.00 0.07 0.00 0.00 59.98 59.46 1xyl h ARG 651 Cb 0.81 -0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.88 1xyl h ARG 651 CO 0.06 0.91 -1.09 0.28 -1.07 0.00 0.00 179.97 179.06 1xyl h VAL 652 N 0.54 1.29 -0.39 2.04 2.07 -1.93 -2.36 116.25 117.51 1xyl h VAL 652 Ca 0.05 -2.32 0.04 0.00 0.82 0.00 0.00 66.70 65.29 1xyl h VAL 652 Cb 0.87 2.46 -0.02 0.00 -1.52 0.00 0.00 31.29 33.07 1xyl h VAL 652 CO 0.07 0.71 0.26 0.00 0.02 0.00 0.00 177.57 178.64 1xyl h ALA 653 N 0.41 1.90 0.00 1.67 0.00 -0.95 -0.05 119.26 122.24 1xyl h ALA 653 Ca -0.14 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.63 1xyl h ALA 653 Cb 1.74 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.42 1xyl h ALA 653 CO 0.21 0.04 -0.60 -0.07 0.00 0.00 0.00 179.25 178.83 1xyl h LEU 654 N 0.37 0.00 -0.48 0.00 3.38 -1.12 -0.87 115.31 116.59 1xyl h LEU 654 Ca 0.16 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.05 1xyl h LEU 654 Cb 0.19 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 1xyl h LEU 654 CO -0.04 0.60 -0.01 0.44 0.09 0.00 0.00 178.44 179.52 1xyl h ASP 655 N 0.00 0.85 0.04 -0.43 3.32 -0.63 0.47 116.42 120.04 1xyl h ASP 655 Ca -0.01 -0.31 -0.11 0.00 0.02 0.00 0.00 57.03 56.62 1xyl h ASP 655 Cb 1.22 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.53 1xyl h ASP 655 CO 0.08 0.96 -0.33 0.03 -1.72 0.00 0.00 179.24 178.25 1xyl h ARG 656 N 0.72 0.42 -0.19 3.56 2.47 -0.72 -1.18 114.38 119.45 1xyl h ARG 656 Ca 0.14 -0.18 -0.11 0.00 -1.26 0.00 0.00 59.98 58.57 1xyl h ARG 656 Cb 0.53 -0.01 -0.00 0.00 -1.65 0.00 0.00 29.97 28.84 1xyl h ARG 656 CO 0.03 0.70 -0.31 1.98 0.56 0.00 0.00 179.97 182.93 1xyl h MET 657 N 0.36 0.55 -0.42 0.04 4.05 -0.94 -1.35 114.93 117.22 1xyl h MET 657 Ca 0.04 -0.34 -0.03 0.00 -0.28 0.00 0.00 59.70 59.09 1xyl h MET 657 Cb 0.76 0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 31.58 1xyl h MET 657 CO 0.06 0.94 0.13 -0.22 0.23 0.00 0.00 176.91 178.05 1xyl h LYS 658 N 0.22 0.65 -0.65 0.39 3.64 -0.87 -1.63 116.57 118.34 1xyl h LYS 658 Ca 0.02 -0.14 0.09 0.00 -1.27 0.00 0.00 60.65 59.35 1xyl h LYS 658 Cb 0.89 -0.09 -0.07 0.00 -0.41 0.00 0.00 32.23 32.55 1xyl h LYS 658 CO 0.07 0.65 0.28 1.49 -2.27 0.00 0.00 179.45 179.67 1xyl h GLU 659 N 0.54 0.47 -0.42 1.90 4.81 -1.14 0.14 114.58 120.88 1xyl h GLU 659 Ca 0.13 -0.03 -0.11 0.00 -0.13 0.00 0.00 59.36 59.23 1xyl h GLU 659 Cb 0.27 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 1xyl h GLU 659 CO -0.00 0.31 -0.15 0.00 -0.73 0.00 0.00 179.01 178.43 1xyl h ALA 660 N 1.42 0.58 -0.13 2.92 0.00 -0.98 -1.11 119.26 121.96 1xyl h ALA 660 Ca 0.32 -0.35 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 1xyl h ALA 660 Cb 0.38 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1xyl h ALA 660 CO -0.29 0.50 -0.46 0.74 0.00 0.00 0.00 179.25 179.74 1xyl h PHE 661 N 0.66 0.37 -0.41 0.00 0.04 -0.89 -1.78 116.94 114.92 1xyl h PHE 661 Ca 0.10 -0.11 -0.10 0.00 2.80 0.00 0.00 57.97 60.66 1xyl h PHE 661 Cb 0.70 -0.08 -0.02 0.00 2.20 0.00 0.00 35.95 38.76 1xyl h PHE 661 CO 0.05 0.72 -0.15 -0.44 -0.60 0.00 0.00 178.31 177.89 1xyl h ASP 662 N 0.25 0.76 -0.56 2.17 3.32 -0.84 -1.42 116.42 120.11 1xyl h ASP 662 Ca 0.02 -0.24 -0.11 0.00 0.02 0.00 0.00 57.03 56.72 1xyl h ASP 662 Cb 0.91 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 40.23 1xyl h ASP 662 CO 0.07 0.92 -0.07 -0.07 -1.72 0.00 0.00 179.24 178.38 1xyl h LEU 663 N 0.69 1.02 -0.95 1.55 3.38 -0.98 -0.66 115.31 119.37 1xyl h LEU 663 Ca 0.11 -0.33 -0.08 0.00 0.09 0.00 0.00 57.88 57.66 1xyl h LEU 663 Cb 0.64 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 1xyl h LEU 663 CO 0.04 1.11 -0.11 -0.07 0.09 0.00 0.00 178.44 179.50 1xyl h LEU 664 N 0.91 0.62 -0.64 1.67 3.38 -1.13 -1.57 115.31 118.55 1xyl h LEU 664 Ca 0.15 -0.17 -0.14 0.00 0.09 0.00 0.00 57.88 57.80 1xyl h LEU 664 Cb 0.63 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 1xyl h LEU 664 CO 0.04 0.77 -0.53 1.23 0.09 0.00 0.00 178.44 180.05 1xyl h GLY 665 N 0.96 0.46 1.04 0.83 0.00 -0.90 -2.17 103.07 103.29 1xyl h GLY 665 Ca 0.10 -0.52 -0.08 0.00 0.00 0.00 0.00 47.33 46.84 1xyl h GLY 665 CO 0.03 0.46 0.05 -2.09 0.00 0.00 0.00 176.54 174.99 1xyl h GLU 666 N 0.33 1.00 -0.19 4.80 4.81 -0.91 -2.18 114.58 122.24 1xyl h GLU 666 Ca 0.01 -0.29 -0.02 0.00 -0.13 0.00 0.00 59.36 58.93 1xyl h GLU 666 Cb 1.03 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.30 1xyl h GLU 666 CO 0.09 0.97 0.06 -0.92 -0.73 0.00 0.00 179.01 178.48 1xyl h TYR 667 N 0.89 0.31 0.00 0.92 3.20 -1.01 -1.48 116.97 119.80 1xyl h TYR 667 Ca 0.17 -0.03 -0.10 0.00 3.14 0.00 0.00 58.73 61.91 1xyl h TYR 667 Cb 0.49 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.66 1xyl h TYR 667 CO 0.04 0.40 -0.46 -0.39 -1.64 0.00 0.00 178.16 176.10 1xyl h VAL 668 N 0.13 0.89 -0.35 1.81 -1.51 -1.38 -1.99 116.25 113.84 1xyl h VAL 668 Ca 0.06 -1.94 -0.08 0.00 -1.23 0.00 0.00 66.70 63.51 1xyl h VAL 668 Cb 0.24 2.21 -0.01 0.00 -2.13 0.00 0.00 31.29 31.60 1xyl h VAL 668 CO -0.00 0.45 -0.11 0.74 -1.23 0.00 0.00 177.57 177.42 1xyl h THR 669 N 0.00 1.28 -0.07 7.19 2.02 -1.29 -1.26 112.91 120.79 1xyl h THR 669 Ca -0.00 -1.19 -0.10 0.00 0.77 0.00 0.00 66.41 65.88 1xyl h THR 669 Cb 1.18 1.32 -0.01 0.00 -1.74 0.00 0.00 68.15 68.90 1xyl h THR 669 CO 0.06 0.39 -0.44 0.77 0.37 0.00 0.00 175.52 176.68 1xyl h SER 670 N 0.49 0.16 0.92 4.18 4.64 -1.14 -1.47 113.55 121.33 1xyl h SER 670 Ca 0.09 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1xyl h SER 670 Cb 0.63 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 1xyl h SER 670 CO 0.04 0.58 -0.13 0.00 -0.87 0.00 0.00 176.83 176.45 1xyl n GLN 671 N -4.01 0.02 -2.38 4.77 1.13 -0.76 -4.93 117.38 111.23 1xyl n GLN 671 Ca -0.02 0.02 -0.13 0.00 -1.94 0.00 0.00 57.00 54.93 1xyl n GLN 671 Cb 0.48 -1.52 0.00 0.00 0.11 0.00 0.00 30.24 29.31 1xyl n GLN 671 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1xyl n GLY 672 N 1.48 -0.11 3.75 1.08 0.00 -0.55 -4.99 105.19 105.85 1xyl n GLY 672 Ca 0.06 -0.32 -0.40 0.00 0.00 0.00 0.00 46.02 45.36 1xyl n GLY 672 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xyl s TYR 673 N -2.71 3.79 -1.10 1.61 2.02 -0.56 -4.98 117.35 115.41 1xyl s TYR 673 Ca 0.05 1.80 -0.13 0.00 -0.37 0.00 0.00 57.07 58.43 1xyl s TYR 673 Cb -0.02 -3.13 0.20 0.00 -0.40 0.00 0.00 41.96 38.61 1xyl s TYR 673 CO 0.07 -0.04 1.23 0.34 -1.57 0.00 0.00 175.55 175.58 1xyl s ASP 674 N -0.95 7.05 -0.16 2.29 2.15 -1.26 -4.82 116.67 120.97 1xyl s ASP 674 Ca 0.43 -2.99 -0.15 0.00 0.43 0.00 0.00 52.55 50.27 1xyl s ASP 674 Cb -0.29 -2.33 0.04 0.00 -0.30 0.00 0.00 42.92 40.05 1xyl s ASP 674 CO 0.36 -0.64 0.43 0.28 -0.17 0.00 0.00 175.17 175.43 1xyl s THR 675 N 0.78 0.00 0.23 1.71 -1.32 -1.26 -4.77 115.64 111.01 1xyl s THR 675 Ca 0.35 -0.01 0.10 0.00 -1.21 0.00 0.00 61.69 60.92 1xyl s THR 675 Cb -0.06 -0.61 -0.04 0.00 -1.51 0.00 0.00 72.50 70.28 1xyl s THR 675 CO -0.05 -0.01 -0.06 -0.13 -2.21 0.00 0.00 174.62 172.16 1xyl s ARG 676 N 0.18 2.13 0.01 7.08 0.52 -0.56 -4.99 118.95 123.31 1xyl s ARG 676 Ca -0.00 -1.40 0.01 0.00 -0.52 0.00 0.00 55.73 53.82 1xyl s ARG 676 Cb -0.03 -2.11 -0.04 0.00 0.52 0.00 0.00 34.95 33.29 1xyl s ARG 676 CO 0.01 0.39 0.04 -0.06 0.02 0.00 0.00 175.30 175.70 1xyl s PHE 677 N -2.10 3.16 -0.06 -0.53 0.08 -0.14 -0.56 117.98 117.83 1xyl s PHE 677 Ca 0.29 0.12 -0.00 0.00 0.12 0.00 0.00 56.93 57.46 1xyl s PHE 677 Cb -0.07 -1.68 0.03 0.00 -0.57 0.00 0.00 43.02 40.72 1xyl s PHE 677 CO 0.17 0.51 -0.02 0.00 -0.10 0.00 0.00 175.22 175.78 1xyl s ALA 678 N -1.18 0.65 -0.02 5.36 0.00 -0.08 -1.08 121.76 125.41 1xyl s ALA 678 Ca 0.22 -0.07 -0.26 0.00 0.00 0.00 0.00 51.96 51.86 1xyl s ALA 678 Cb -0.12 -0.57 -0.04 0.00 0.00 0.00 0.00 23.12 22.40 1xyl s ALA 678 CO 0.14 -0.24 0.81 0.42 0.00 0.00 0.00 175.76 176.89 1xyl s ILE 679 N 1.43 4.92 -0.46 0.00 1.01 0.22 -1.40 121.20 126.92 1xyl s ILE 679 Ca -0.03 1.69 -0.15 0.00 0.00 0.00 0.00 60.65 62.15 1xyl s ILE 679 Cb -0.13 -4.15 0.07 0.00 0.01 0.00 0.00 42.46 38.26 1xyl s ILE 679 CO -0.03 0.25 0.38 -0.75 0.00 0.00 0.00 174.94 174.79 1xyl s LYS 680 N 0.68 2.97 0.48 2.79 2.36 -0.72 -0.81 119.74 127.49 1xyl s LYS 680 Ca 0.42 -1.31 -0.21 0.00 -2.55 0.00 0.00 55.97 52.32 1xyl s LYS 680 Cb -0.19 -4.11 -0.08 0.00 -1.05 0.00 0.00 37.83 32.40 1xyl s LYS 680 CO 0.22 -0.99 1.10 -2.14 1.55 0.00 0.00 175.35 175.09 1xyl s PRO 681 N 1.64 3.73 -0.22 4.03 0.02 -1.26 -4.45 135.00 138.49 1xyl s PRO 681 Ca 0.04 1.56 -0.13 0.00 0.02 0.00 0.00 61.00 62.50 1xyl s PRO 681 Cb -0.24 -2.23 0.07 0.00 0.02 0.00 0.00 34.50 32.12 1xyl s PRO 681 CO 0.07 -0.53 0.55 0.21 -0.33 0.00 0.00 177.00 176.97 1xyl s LYS 682 N -2.98 0.55 0.09 5.54 2.20 -1.23 -4.73 119.74 119.19 1xyl s LYS 682 Ca 0.66 0.99 -0.17 0.00 -0.36 0.00 0.00 55.97 57.09 1xyl s LYS 682 Cb -0.23 0.07 -0.07 0.00 -1.51 0.00 0.00 37.83 36.09 1xyl s LYS 682 CO 0.27 -0.15 1.51 -1.35 -0.36 0.00 0.00 175.35 175.27 1xyl h PRO 683 N 6.98 0.54 -3.12 4.03 0.11 -1.66 -3.40 132.00 135.48 1xyl h PRO 683 Ca -0.33 -0.19 0.01 0.00 0.11 0.00 0.00 66.00 65.60 1xyl h PRO 683 Cb 1.20 -0.04 -0.04 0.00 0.11 0.00 0.00 31.00 32.24 1xyl h PRO 683 CO 0.23 0.71 0.19 0.54 -0.21 0.00 0.00 178.00 179.45 1xyl s ASN 684 N -6.09 -0.10 0.01 -2.05 4.22 -1.26 -1.27 114.94 108.40 1xyl s ASN 684 Ca -0.13 -0.86 0.00 0.00 -2.14 0.00 0.00 52.86 49.72 1xyl s ASN 684 Cb 0.08 0.75 0.00 0.00 1.28 0.00 0.00 41.25 43.36 1xyl s ASN 684 CO 0.77 -1.44 0.00 1.21 -2.04 0.00 0.00 177.10 175.60 1xyl n GLU 685 N -0.48 -1.18 0.00 3.55 2.13 -1.26 -4.84 120.64 118.55 1xyl n GLU 685 Ca -0.05 1.24 0.14 0.00 0.66 0.00 0.00 57.16 59.15 1xyl n GLU 685 Cb 0.60 -1.38 0.59 0.00 0.27 0.00 0.00 31.44 31.52 1xyl n GLU 685 CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 1xyl n PRO 686 N 0.41 0.22 -2.63 5.31 -0.04 -1.26 -4.99 135.00 132.02 1xyl n PRO 686 Ca 0.00 -0.05 -0.27 0.00 -0.04 0.00 0.00 63.50 63.14 1xyl n PRO 686 Cb 0.00 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 31.96 1xyl n PRO 686 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1xyl s ARG 687 N -2.81 3.49 0.33 0.54 1.81 -1.25 -4.97 118.95 116.08 1xyl s ARG 687 Ca 0.19 0.17 0.02 0.00 -1.72 0.00 0.00 55.73 54.40 1xyl s ARG 687 Cb 0.19 -2.37 0.60 0.00 -0.45 0.00 0.00 34.95 32.92 1xyl s ARG 687 CO 0.53 -0.24 1.94 0.78 -0.68 0.00 0.00 175.30 177.63 1xyl h GLY 688 N 0.20 1.14 -5.54 -3.53 0.00 -1.85 -3.41 103.07 90.09 1xyl h GLY 688 Ca -0.47 -0.37 -0.16 0.00 0.00 0.00 0.00 47.33 46.33 1xyl h GLY 688 CO 0.61 0.29 -0.41 0.99 0.00 0.00 0.00 176.54 178.03 1xyl s ASP 689 N -6.15 -0.30 0.05 0.19 1.01 -0.79 -4.65 116.67 106.03 1xyl s ASP 689 Ca -0.11 0.57 0.02 0.00 0.71 0.00 0.00 52.55 53.74 1xyl s ASP 689 Cb 0.19 0.53 -0.04 0.00 1.01 0.00 0.00 42.92 44.62 1xyl s ASP 689 CO 0.79 -0.12 0.10 -0.63 0.21 0.00 0.00 175.17 175.51 1xyl s ILE 690 N 0.52 4.70 0.46 0.77 1.01 -0.40 -2.30 121.20 125.96 1xyl s ILE 690 Ca -0.03 -0.62 -0.22 0.00 0.00 0.00 0.00 60.65 59.78 1xyl s ILE 690 Cb -0.05 -3.24 -0.08 0.00 0.01 0.00 0.00 42.46 39.11 1xyl s ILE 690 CO -0.03 0.19 1.13 -0.76 0.00 0.00 0.00 174.94 175.47 1xyl s LEU 691 N -2.22 3.99 -0.94 2.97 1.43 -0.45 -3.82 118.68 119.64 1xyl s LEU 691 Ca 0.28 2.21 -0.08 0.00 -1.03 0.00 0.00 54.13 55.52 1xyl s LEU 691 Cb -0.12 -4.30 -0.02 0.00 0.03 0.00 0.00 46.19 41.78 1xyl s LEU 691 CO 0.21 -0.87 0.76 0.18 0.23 0.00 0.00 176.35 176.86 1xyl n LEU 692 N -0.55 -4.66 0.06 1.79 4.77 -1.26 -4.81 117.00 112.34 1xyl n LEU 692 Ca 0.08 -0.62 0.13 0.00 -0.03 0.00 0.00 56.01 55.56 1xyl n LEU 692 Cb 0.49 -2.77 0.48 0.00 -2.33 0.00 0.00 43.42 39.28 1xyl n LEU 692 CO 0.46 -0.17 0.89 -0.81 -1.33 0.00 0.00 177.39 176.43 1xyl n PRO 693 N -2.93 0.14 -4.15 3.23 -0.04 -1.25 -4.01 135.00 125.99 1xyl n PRO 693 Ca -0.09 0.18 -0.10 0.00 -0.04 0.00 0.00 63.50 63.45 1xyl n PRO 693 Cb 0.58 -1.69 -0.10 0.00 -0.04 0.00 0.00 33.50 32.25 1xyl n PRO 693 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1xyl s THR 694 N -3.09 0.07 0.26 0.52 -4.23 -1.26 -2.16 115.64 105.76 1xyl s THR 694 Ca 0.10 -1.91 -0.03 0.00 -1.18 0.00 0.00 61.69 58.68 1xyl s THR 694 Cb 0.14 -2.16 0.30 0.00 1.34 0.00 0.00 72.50 72.12 1xyl s THR 694 CO 0.51 -0.33 1.64 0.58 -0.54 0.00 0.00 174.62 176.48 1xyl h VAL 695 N 2.78 0.32 -0.48 2.29 2.07 -1.92 -2.05 116.25 119.27 1xyl h VAL 695 Ca -0.35 -0.05 -0.04 0.00 0.82 0.00 0.00 66.70 67.07 1xyl h VAL 695 Cb 1.21 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 1xyl h VAL 695 CO 0.57 0.03 0.13 1.23 0.02 0.00 0.00 177.57 179.55 1xyl h GLY 696 N 0.15 0.81 1.49 2.17 0.00 -1.96 -0.00 103.07 105.73 1xyl h GLY 696 Ca 0.48 -0.50 -0.06 0.00 0.00 0.00 0.00 47.33 47.25 1xyl h GLY 696 CO -0.67 0.46 -0.00 0.45 0.00 0.00 0.00 176.54 176.78 1xyl h HIS 697 N 0.65 0.66 -0.25 5.60 -0.00 -1.74 -1.46 115.15 118.61 1xyl h HIS 697 Ca 0.15 -0.08 -0.09 0.00 -0.00 0.00 0.00 60.37 60.35 1xyl h HIS 697 Cb 0.30 -0.19 -0.00 0.00 -0.00 0.00 0.00 27.41 27.52 1xyl h HIS 697 CO 0.02 0.64 -0.21 0.00 -0.00 0.00 0.00 177.93 178.37 1xyl h ALA 698 N 1.40 0.36 -0.64 2.45 0.00 -1.22 -1.70 119.26 119.92 1xyl h ALA 698 Ca 0.12 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 1xyl h ALA 698 Cb 0.38 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1xyl h ALA 698 CO 0.01 0.31 0.38 -0.07 0.00 0.00 0.00 179.25 179.88 1xyl h LEU 699 N 0.29 0.77 -0.72 0.00 3.38 -0.67 -2.42 115.31 115.95 1xyl h LEU 699 Ca 0.04 -0.06 -0.05 0.00 0.09 0.00 0.00 57.88 57.90 1xyl h LEU 699 Cb 0.76 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.28 1xyl h LEU 699 CO 0.05 0.61 0.26 0.00 0.09 0.00 0.00 178.44 179.46 1xyl h ALA 700 N 1.19 0.93 -0.96 1.53 0.00 -1.25 -2.92 119.26 117.80 1xyl h ALA 700 Ca 0.23 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.95 1xyl h ALA 700 Cb -0.02 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 17.45 1xyl h ALA 700 CO -0.04 0.58 0.63 0.35 0.00 0.00 0.00 179.25 180.77 1xyl h PHE 701 N 1.04 1.20 -0.42 0.00 3.57 -0.94 -2.79 116.94 118.60 1xyl h PHE 701 Ca 0.24 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.75 1xyl h PHE 701 Cb 0.25 -0.41 -0.02 0.00 2.79 0.00 0.00 35.95 38.56 1xyl h PHE 701 CO 0.02 0.76 0.19 0.82 -2.23 0.00 0.00 178.31 177.87 1xyl h ILE 702 N 1.30 1.15 0.00 1.41 2.04 -1.24 -0.58 117.51 121.59 1xyl h ILE 702 Ca 0.35 -0.43 0.00 0.00 1.00 0.00 0.00 64.86 65.78 1xyl h ILE 702 Cb -0.15 0.63 0.00 0.00 -0.74 0.00 0.00 36.82 36.56 1xyl h ILE 702 CO -0.08 0.17 0.00 -0.33 0.00 0.00 0.00 178.15 177.92 1xyl h GLU 703 N 0.58 0.00 -0.39 2.37 4.39 -1.48 -1.28 114.58 118.78 1xyl h GLU 703 Ca 0.15 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.85 1xyl h GLU 703 Cb 0.08 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.73 1xyl h GLU 703 CO -0.02 0.00 0.00 0.54 -1.16 0.00 0.00 179.01 178.37 1xyl n ARG 704 N -2.34 2.50 -2.29 2.33 5.12 -0.23 -4.96 116.66 116.80 1xyl n ARG 704 Ca 0.01 -2.27 -0.31 0.00 -1.93 0.00 0.00 57.85 53.34 1xyl n ARG 704 Cb 0.16 -1.52 -0.01 0.00 -1.16 0.00 0.00 32.46 29.93 1xyl n ARG 704 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1xyl s LEU 705 N -1.48 3.51 0.30 0.55 1.43 -0.48 -4.97 118.68 117.53 1xyl s LEU 705 Ca 0.39 1.40 -0.01 0.00 -1.03 0.00 0.00 54.13 54.88 1xyl s LEU 705 Cb 0.23 -4.37 0.45 0.00 0.03 0.00 0.00 46.19 42.52 1xyl s LEU 705 CO 0.32 -0.67 1.90 -0.08 0.23 0.00 0.00 176.35 178.05 1xyl h GLU 706 N 0.45 0.91 -2.54 1.70 4.57 -1.92 -3.32 114.58 114.43 1xyl h GLU 706 Ca -0.46 -0.12 -0.60 0.00 -1.18 0.00 0.00 59.36 57.00 1xyl h GLU 706 Cb 1.19 -0.17 -0.42 0.00 -0.16 0.00 0.00 28.75 29.19 1xyl h GLU 706 CO 0.62 0.71 -0.64 0.54 -1.18 0.00 0.00 179.01 179.07 1xyl n ARG 707 N -4.34 2.03 0.27 1.92 1.74 -1.26 -4.97 116.66 112.04 1xyl n ARG 707 Ca 0.06 -4.44 0.10 0.00 -0.77 0.00 0.00 57.85 52.80 1xyl n ARG 707 Cb 0.14 -2.17 0.70 0.00 -1.02 0.00 0.00 32.46 30.10 1xyl n ARG 707 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 1xyl h PRO 708 N 4.71 0.00 0.00 5.56 0.11 -1.79 -2.09 132.00 138.49 1xyl h PRO 708 Ca 0.18 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.28 1xyl h PRO 708 Cb 0.72 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.83 1xyl h PRO 708 CO 0.74 0.00 -0.02 1.05 -0.21 0.00 0.00 178.00 179.56 1xyl h GLU 709 N 0.00 0.00 0.00 1.05 9.09 -1.93 -2.07 114.58 120.71 1xyl h GLU 709 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1xyl h GLU 709 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 1xyl h GLU 709 CO -0.00 0.02 0.00 1.28 0.05 0.00 0.00 179.01 180.36 1xyl n LEU 710 N -3.30 0.00 -4.13 3.06 4.32 -0.79 -4.88 117.00 111.29 1xyl n LEU 710 Ca -0.02 0.31 -0.23 0.00 -0.02 0.00 0.00 56.01 56.05 1xyl n LEU 710 Cb 0.14 -0.31 -0.15 0.00 -1.62 0.00 0.00 43.42 41.49 1xyl n LEU 710 CO 0.24 -0.00 -0.48 -0.31 -1.22 0.00 0.00 177.39 175.62 1xyl s TYR 711 N -2.61 1.34 0.00 -1.77 1.51 -0.78 -0.97 117.35 114.07 1xyl s TYR 711 Ca 0.27 -0.27 0.00 0.00 -1.01 0.00 0.00 57.07 56.06 1xyl s TYR 711 Cb 0.20 -0.85 0.00 0.00 -0.11 0.00 0.00 41.96 41.20 1xyl s TYR 711 CO 0.47 -0.01 0.00 0.41 -1.11 0.00 0.00 175.55 175.31 1xyl n GLY 712 N 2.54 4.08 3.55 0.71 0.00 -0.24 -4.98 105.19 110.85 1xyl n GLY 712 Ca -0.15 -1.35 -0.27 0.00 0.00 0.00 0.00 46.02 44.25 1xyl n GLY 712 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1xyl s VAL 713 N -1.88 3.09 -0.52 1.61 -7.23 -0.54 -0.61 120.40 114.32 1xyl s VAL 713 Ca 0.00 -1.65 0.03 0.00 -1.81 0.00 0.00 61.98 58.55 1xyl s VAL 713 Cb 0.00 -2.51 0.15 0.00 0.56 0.00 0.00 36.38 34.58 1xyl s VAL 713 CO 0.00 -0.07 0.32 0.21 -0.31 0.00 0.00 175.10 175.25 1xyl s ASN 714 N -2.70 3.77 0.49 4.85 2.47 0.01 -2.66 114.94 121.17 1xyl s ASN 714 Ca 0.24 -3.08 -0.21 0.00 0.42 0.00 0.00 52.86 50.23 1xyl s ASN 714 Cb -0.09 -1.22 -0.08 0.00 -1.45 0.00 0.00 41.25 38.42 1xyl s ASN 714 CO 0.14 -0.20 1.08 -2.84 -3.72 0.00 0.00 177.10 171.56 1xyl s PRO 715 N -0.27 3.71 -0.13 0.43 0.02 -1.26 -4.23 135.00 133.27 1xyl s PRO 715 Ca 0.21 1.48 0.02 0.00 0.02 0.00 0.00 61.00 62.74 1xyl s PRO 715 Cb -0.16 -2.14 0.00 0.00 0.02 0.00 0.00 34.50 32.22 1xyl s PRO 715 CO -0.07 -0.53 -0.20 -2.00 -0.33 0.00 0.00 177.00 173.87 1xyl s GLU 716 N -3.12 3.12 0.13 5.54 2.12 -1.26 -0.83 118.70 124.40 1xyl s GLU 716 Ca 0.68 -0.82 -0.28 0.00 0.36 0.00 0.00 54.97 54.91 1xyl s GLU 716 Cb -0.20 -2.46 -0.08 0.00 0.26 0.00 0.00 34.13 31.65 1xyl s GLU 716 CO 0.24 0.09 1.47 0.28 -0.54 0.00 0.00 175.26 176.80 1xyl h VAL 717 N 5.70 0.00 0.00 3.70 2.07 -1.61 -2.66 116.25 123.45 1xyl h VAL 717 Ca -0.27 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.22 1xyl h VAL 717 Cb 1.21 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.98 1xyl h VAL 717 CO 0.53 0.00 -0.12 1.23 0.02 0.00 0.00 177.57 179.23 1xyl h GLY 718 N -0.15 0.00 0.83 2.17 0.00 -1.86 -2.96 103.07 101.10 1xyl h GLY 718 Ca 0.11 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.37 1xyl h GLY 718 CO -0.69 0.00 -0.13 0.45 0.00 0.00 0.00 176.54 176.17 1xyl h HIS 719 N 0.00 0.55 -0.11 5.60 3.86 -1.82 -1.66 115.15 121.57 1xyl h HIS 719 Ca -0.00 -0.14 -0.12 0.00 -1.16 0.00 0.00 60.37 58.95 1xyl h HIS 719 Cb 0.28 -0.12 -0.01 0.00 1.06 0.00 0.00 27.41 28.61 1xyl h HIS 719 CO 0.00 0.77 -0.46 0.93 0.86 0.00 0.00 177.93 180.04 1xyl h GLU 720 N 0.18 0.26 0.00 2.45 4.39 -1.51 -2.65 114.58 117.69 1xyl h GLU 720 Ca 0.05 -0.13 0.00 0.00 0.34 0.00 0.00 59.36 59.61 1xyl h GLU 720 Cb 0.64 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.29 1xyl h GLU 720 CO 0.04 0.66 0.00 1.96 -1.16 0.00 0.00 179.01 180.51 1xyl h GLN 721 N 0.21 0.00 0.00 2.33 4.20 -1.35 -1.91 115.11 118.59 1xyl h GLN 721 Ca 0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.72 1xyl h GLN 721 Cb 0.89 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.67 1xyl h GLN 721 CO 0.07 0.00 0.00 0.52 -0.67 0.00 0.00 178.83 178.75 1xyl h MET 722 N 0.00 0.00 -0.64 1.46 2.86 -0.92 -1.35 114.93 116.35 1xyl h MET 722 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1xyl h MET 722 Cb 0.43 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.09 1xyl h MET 722 CO 0.00 0.00 0.00 0.00 1.06 0.00 0.00 176.91 177.97 1xyl n ALA 723 N -1.97 2.51 -1.38 6.32 0.00 -0.88 -4.74 120.51 120.37 1xyl n ALA 723 Ca 0.02 -1.37 -0.13 0.00 0.00 0.00 0.00 53.44 51.96 1xyl n ALA 723 Cb 0.32 -0.85 -0.06 0.00 0.00 0.00 0.00 19.45 18.87 1xyl n ALA 723 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xyl n GLY 724 N 1.28 1.39 3.92 0.00 0.00 -0.51 -5.01 105.19 106.26 1xyl n GLY 724 Ca 0.22 -0.36 -0.26 0.00 0.00 0.00 0.00 46.02 45.62 1xyl n GLY 724 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xyl s LEU 725 N -3.00 3.55 -0.54 0.99 1.43 -0.77 -4.97 118.68 115.36 1xyl s LEU 725 Ca 0.00 0.66 -0.26 0.00 -1.03 0.00 0.00 54.13 53.50 1xyl s LEU 725 Cb 0.00 -3.55 0.03 0.00 0.03 0.00 0.00 46.19 42.70 1xyl s LEU 725 CO 0.00 -0.73 1.05 0.21 0.23 0.00 0.00 176.35 177.12 1xyl s ASN 726 N -4.19 6.44 0.05 2.29 3.84 -1.26 -4.27 114.94 117.84 1xyl s ASN 726 Ca 0.49 0.00 -0.27 0.00 0.21 0.00 0.00 52.86 53.29 1xyl s ASN 726 Cb -0.10 -2.50 -0.17 0.00 -0.55 0.00 0.00 41.25 37.93 1xyl s ASN 726 CO 0.42 -1.29 1.50 0.15 -2.79 0.00 0.00 177.10 175.09 1xyl h PHE 727 N 9.35 -0.42 -0.97 0.43 3.57 -1.91 -1.45 116.94 125.53 1xyl h PHE 727 Ca -0.25 -0.01 0.31 0.00 3.53 0.00 0.00 57.97 61.55 1xyl h PHE 727 Cb 1.07 0.14 -0.17 0.00 2.79 0.00 0.00 35.95 39.77 1xyl h PHE 727 CO 0.96 -0.17 0.25 -1.35 -2.23 0.00 0.00 178.31 175.77 1xyl h PRO 728 N -0.60 0.06 -0.44 6.41 0.11 -1.92 -0.50 132.00 135.11 1xyl h PRO 728 Ca -0.05 -0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.98 1xyl h PRO 728 Cb 0.44 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.52 1xyl h PRO 728 CO 0.08 0.04 -0.03 0.45 -0.21 0.00 0.00 178.00 178.32 1xyl h HIS 729 N 0.06 0.89 -0.73 0.65 3.86 -1.86 -0.79 115.15 117.22 1xyl h HIS 729 Ca 0.68 -0.17 -0.03 0.00 -1.16 0.00 0.00 60.37 59.69 1xyl h HIS 729 Cb 1.55 -0.23 -0.03 0.00 1.06 0.00 0.00 27.41 29.76 1xyl h HIS 729 CO -0.28 0.87 0.32 0.78 0.86 0.00 0.00 177.93 180.48 1xyl h GLY 730 N 0.65 1.13 1.01 2.45 0.00 -0.16 -2.43 103.07 105.73 1xyl h GLY 730 Ca 0.12 -0.57 -0.09 0.00 0.00 0.00 0.00 47.33 46.79 1xyl h GLY 730 CO 0.03 0.54 -0.04 -2.22 0.00 0.00 0.00 176.54 174.86 1xyl h ILE 731 N 1.04 1.27 -0.59 2.60 1.08 -0.93 -2.24 117.51 119.74 1xyl h ILE 731 Ca 0.25 -1.13 -0.01 0.00 -0.39 0.00 0.00 64.86 63.58 1xyl h ILE 731 Cb 0.15 1.04 -0.03 0.00 -3.07 0.00 0.00 36.82 34.91 1xyl h ILE 731 CO -0.03 0.39 0.32 0.00 -0.69 0.00 0.00 178.15 178.15 1xyl h ALA 732 N 0.91 1.46 -0.49 1.87 0.00 -0.79 -0.93 119.26 121.29 1xyl h ALA 732 Ca 0.13 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 1xyl h ALA 732 Cb 0.56 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1xyl h ALA 732 CO 0.03 0.45 -0.08 0.37 0.00 0.00 0.00 179.25 180.02 1xyl h GLN 733 N 0.82 0.92 -0.25 0.00 4.15 -1.28 0.50 115.11 119.97 1xyl h GLN 733 Ca 0.21 -0.34 0.01 0.00 0.77 0.00 0.00 58.65 59.30 1xyl h GLN 733 Cb 0.02 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 27.63 1xyl h GLN 733 CO -0.03 0.99 0.15 0.00 -1.93 0.00 0.00 178.83 178.00 1xyl h ALA 734 N 0.90 0.31 -0.78 3.38 0.00 -0.94 -1.14 119.26 120.99 1xyl h ALA 734 Ca 0.13 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 1xyl h ALA 734 Cb 0.63 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 1xyl h ALA 734 CO 0.04 -0.24 0.33 -0.07 0.00 0.00 0.00 179.25 179.31 1xyl h LEU 735 N 0.30 1.06 -1.33 0.00 3.38 -1.13 -0.49 115.31 117.10 1xyl h LEU 735 Ca 0.10 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 1xyl h LEU 735 Cb -0.00 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.44 1xyl h LEU 735 CO -0.05 0.94 0.37 -0.25 0.09 0.00 0.00 178.44 179.54 1xyl h TRP 736 N 1.12 0.79 -0.00 1.13 7.01 -0.64 -1.42 115.95 123.94 1xyl h TRP 736 Ca 0.26 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.27 1xyl h TRP 736 Cb 0.19 -0.26 0.00 0.00 -2.10 0.00 0.00 29.16 26.99 1xyl h TRP 736 CO 0.02 0.53 -0.00 0.00 -2.79 0.00 0.00 178.44 176.19 1xyl n ALA 737 N -2.44 2.66 -1.62 2.65 0.00 -0.45 -4.92 120.51 116.38 1xyl n ALA 737 Ca 0.06 -0.27 -0.14 0.00 0.00 0.00 0.00 53.44 53.09 1xyl n ALA 737 Cb 0.07 -1.42 -0.05 0.00 0.00 0.00 0.00 19.45 18.06 1xyl n ALA 737 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xyl n GLY 738 N 1.06 1.02 0.82 0.00 0.00 -0.54 -4.93 105.19 102.62 1xyl n GLY 738 Ca 0.22 -0.36 0.07 0.00 0.00 0.00 0.00 46.02 45.95 1xyl n GLY 738 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1xyl n LYS 739 N -2.53 2.98 -2.88 1.61 4.76 -0.25 -4.86 118.16 116.99 1xyl n LYS 739 Ca -0.14 -2.41 -0.43 0.00 -2.87 0.00 0.00 58.31 52.45 1xyl n LYS 739 Cb 0.49 -1.53 -0.03 0.00 -1.84 0.00 0.00 35.03 32.13 1xyl n LYS 739 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 1xyl s LEU 740 N -1.70 4.82 0.33 -0.35 2.96 -1.23 -1.47 118.68 122.04 1xyl s LEU 740 Ca 0.33 -1.89 0.20 0.00 -0.22 0.00 0.00 54.13 52.55 1xyl s LEU 740 Cb 0.22 -2.42 0.17 0.00 0.50 0.00 0.00 46.19 44.66 1xyl s LEU 740 CO 0.14 -1.15 1.42 -0.26 -1.32 0.00 0.00 176.35 175.19 1xyl h PHE 741 N 9.01 0.00 -2.43 5.38 -1.00 -1.84 -3.48 116.94 122.58 1xyl h PHE 741 Ca 0.12 0.00 0.16 0.00 2.81 0.00 0.00 57.97 61.06 1xyl h PHE 741 Cb 1.03 0.00 -0.08 0.00 3.61 0.00 0.00 35.95 40.51 1xyl h PHE 741 CO 1.16 0.19 0.45 -1.58 -1.61 0.00 0.00 178.31 176.92 1xyl s HIS 742 N -3.14 -0.16 -0.16 -0.55 2.46 -1.22 -4.93 115.29 107.60 1xyl s HIS 742 Ca 0.04 -0.16 -0.14 0.00 0.47 0.00 0.00 55.06 55.27 1xyl s HIS 742 Cb 0.07 0.64 0.04 0.00 -0.13 0.00 0.00 32.58 33.20 1xyl s HIS 742 CO 0.72 -0.87 0.41 -1.50 -2.47 0.00 0.00 174.74 171.04 1xyl s ILE 743 N -3.36 -0.00 -0.27 0.89 2.07 -1.26 -4.06 121.20 115.21 1xyl s ILE 743 Ca 0.12 0.01 -0.06 0.00 -1.41 0.00 0.00 60.65 59.30 1xyl s ILE 743 Cb -0.02 -0.58 -0.01 0.00 0.13 0.00 0.00 42.46 41.98 1xyl s ILE 743 CO 0.02 0.00 0.05 -1.81 -1.91 0.00 0.00 174.94 171.30 1xyl s ASP 744 N 0.30 4.97 -0.17 4.50 1.01 -0.01 -3.11 116.67 124.15 1xyl s ASP 744 Ca -0.01 -0.48 -0.10 0.00 0.71 0.00 0.00 52.55 52.67 1xyl s ASP 744 Cb -0.03 -1.87 -0.05 0.00 1.01 0.00 0.00 42.92 41.98 1xyl s ASP 744 CO -0.00 -0.11 0.18 -0.76 0.21 0.00 0.00 175.17 174.69 1xyl s LEU 745 N 1.53 4.26 0.00 1.23 1.43 0.22 -1.59 118.68 125.77 1xyl s LEU 745 Ca 0.04 0.36 0.00 0.00 -1.03 0.00 0.00 54.13 53.51 1xyl s LEU 745 Cb -0.16 -2.17 0.00 0.00 0.03 0.00 0.00 46.19 43.90 1xyl s LEU 745 CO 0.02 0.21 0.00 -0.46 0.23 0.00 0.00 176.35 176.35 1xyl n ASN 746 N 3.17 0.00 -4.24 2.29 0.23 -1.26 -2.77 115.26 112.67 1xyl n ASN 746 Ca -0.16 -0.49 -0.18 0.00 -0.53 0.00 0.00 54.58 53.22 1xyl n ASN 746 Cb 0.53 0.00 -0.11 0.00 -2.08 0.00 0.00 39.78 38.11 1xyl n ASN 746 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 1xyl s GLY 747 N -1.09 1.07 -0.13 4.83 0.00 0.15 -4.48 107.32 107.68 1xyl s GLY 747 Ca 0.00 -1.27 -0.08 0.00 0.00 0.00 0.00 44.72 43.37 1xyl s GLY 747 CO 0.00 -1.32 0.31 1.62 0.00 0.00 0.00 173.10 173.71 1xyl s GLN 748 N -2.57 0.31 -0.95 2.90 2.00 -1.26 -1.69 119.66 118.41 1xyl s GLN 748 Ca 0.08 0.56 0.00 0.00 -2.00 0.00 0.00 55.36 54.00 1xyl s GLN 748 Cb -0.05 0.02 0.32 0.00 0.80 0.00 0.00 33.01 34.10 1xyl s GLN 748 CO 0.03 -0.12 1.67 -1.13 -0.50 0.00 0.00 175.29 175.25 1xyl n SER 749 N 3.73 6.86 0.00 6.67 3.41 -1.26 -3.43 113.62 129.60 1xyl n SER 749 Ca -0.20 -3.69 0.00 0.00 -0.26 0.00 0.00 58.87 54.72 1xyl n SER 749 Cb 0.55 -1.07 0.00 0.00 -0.26 0.00 0.00 64.21 63.44 1xyl n SER 749 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xyl n GLY 750 N -0.07 -1.01 3.53 5.00 0.00 -1.26 -4.90 105.19 106.48 1xyl n GLY 750 Ca 0.44 -2.16 -0.43 0.00 0.00 0.00 0.00 46.02 43.87 1xyl n GLY 750 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xyl s ILE 751 N -0.06 4.53 0.00 -0.61 1.01 -1.26 -4.52 121.20 120.29 1xyl s ILE 751 Ca 0.00 0.38 -0.01 0.00 0.00 0.00 0.00 60.65 61.02 1xyl s ILE 751 Cb 0.00 -4.42 0.00 0.00 0.01 0.00 0.00 42.46 38.05 1xyl s ILE 751 CO 0.00 -0.89 0.05 2.29 0.00 0.00 0.00 174.94 176.39 1xyl n LYS 752 N 7.05 0.02 -0.96 2.79 2.85 -1.26 -5.09 118.16 123.56 1xyl n LYS 752 Ca 0.02 -0.05 -0.34 0.00 -1.05 0.00 0.00 58.31 56.90 1xyl n LYS 752 Cb 0.48 0.07 0.12 0.00 -0.65 0.00 0.00 35.03 35.04 1xyl n LYS 752 CO 0.00 0.00 0.00 2.48 -0.05 0.00 0.00 177.40 179.83 1xyl n TYR 753 N -0.04 -0.46 -2.07 5.58 4.11 -1.26 -4.86 117.16 118.17 1xyl n TYR 753 Ca 0.00 0.32 -0.43 0.00 -0.00 0.00 0.00 57.90 57.79 1xyl n TYR 753 Cb 0.03 -1.91 -0.03 0.00 -0.00 0.00 0.00 39.34 37.43 1xyl n TYR 753 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.86 177.20 1xyl s ASP 754 N -1.98 5.95 0.01 9.48 2.15 -1.26 -4.89 116.67 126.13 1xyl s ASP 754 Ca 0.64 1.18 0.02 0.00 0.43 0.00 0.00 52.55 54.81 1xyl s ASP 754 Cb -0.26 -2.53 -0.25 0.00 -0.30 0.00 0.00 42.92 39.57 1xyl s ASP 754 CO 0.61 -1.68 0.86 1.56 -0.17 0.00 0.00 175.17 176.35 1xyl h GLN 755 N 12.54 0.15 -6.39 4.34 4.20 -1.89 -3.49 115.11 124.58 1xyl h GLN 755 Ca -0.32 -0.26 -0.48 0.00 0.06 0.00 0.00 58.65 57.64 1xyl h GLN 755 Cb 1.16 0.10 -0.05 0.00 0.30 0.00 0.00 27.48 28.98 1xyl h GLN 755 CO 1.05 0.97 -0.83 -0.25 -0.67 0.00 0.00 178.83 179.09 1xyl n ASP 756 N -3.35 -2.22 -4.65 1.46 8.00 -1.25 -4.66 116.55 109.87 1xyl n ASP 756 Ca -0.14 -0.90 -0.30 0.00 0.71 0.00 0.00 54.79 54.16 1xyl n ASP 756 Cb 1.03 -3.47 0.17 0.00 -0.02 0.00 0.00 41.12 38.83 1xyl n ASP 756 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1xyl s LEU 757 N -7.03 2.11 0.50 0.64 1.43 -0.68 -0.34 118.68 115.30 1xyl s LEU 757 Ca 0.31 1.70 -0.22 0.00 -1.03 0.00 0.00 54.13 54.89 1xyl s LEU 757 Cb -0.16 -4.00 -0.06 0.00 0.03 0.00 0.00 46.19 42.00 1xyl s LEU 757 CO 0.86 -3.11 1.23 0.00 0.23 0.00 0.00 176.35 175.57 1xyl s ARG 758 N -4.74 3.46 0.29 1.70 1.70 -1.26 -0.68 118.95 119.42 1xyl s ARG 758 Ca 0.65 1.93 -0.30 0.00 -0.47 0.00 0.00 55.73 57.55 1xyl s ARG 758 Cb -0.21 -2.30 -0.13 0.00 -0.57 0.00 0.00 34.95 31.75 1xyl s ARG 758 CO 0.59 -0.84 1.42 0.34 -1.08 0.00 0.00 175.30 175.73 1xyl n PHE 759 N -0.80 2.40 0.00 5.89 7.35 -1.26 -2.36 117.46 128.69 1xyl n PHE 759 Ca 0.09 0.43 0.00 0.00 -0.76 0.00 0.00 57.45 57.21 1xyl n PHE 759 Cb 0.47 -2.48 0.00 0.00 0.35 0.00 0.00 39.48 37.82 1xyl n PHE 759 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1xyl n GLY 760 N 1.61 2.98 3.73 7.13 0.00 -1.26 -4.52 105.19 114.87 1xyl n GLY 760 Ca 0.08 -0.92 -0.30 0.00 0.00 0.00 0.00 46.02 44.87 1xyl n GLY 760 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xyl s ALA 761 N -0.65 1.80 0.00 4.61 0.00 -0.99 -4.16 121.76 122.37 1xyl s ALA 761 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 51.96 52.06 1xyl s ALA 761 Cb 0.00 -3.24 0.00 0.00 0.00 0.00 0.00 23.12 19.88 1xyl s ALA 761 CO 0.00 -2.15 0.00 0.41 0.00 0.00 0.00 175.76 174.02 1xyl n GLY 762 N -1.07 1.08 3.45 0.00 0.00 -1.26 -4.06 105.19 103.33 1xyl n GLY 762 Ca 0.08 -0.80 -0.43 0.00 0.00 0.00 0.00 46.02 44.87 1xyl n GLY 762 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1xyl s ASP 763 N -4.00 6.25 0.11 1.61 -1.08 -1.22 -4.90 116.67 113.45 1xyl s ASP 763 Ca 0.00 -1.18 -0.15 0.00 -0.52 0.00 0.00 52.55 50.70 1xyl s ASP 763 Cb 0.00 -2.42 -0.04 0.00 -1.46 0.00 0.00 42.92 39.00 1xyl s ASP 763 CO 0.00 -1.38 1.52 0.25 0.52 0.00 0.00 175.17 176.08 1xyl h LEU 764 N 11.22 0.69 -1.19 -1.34 5.85 -1.82 -2.76 115.31 125.97 1xyl h LEU 764 Ca -0.20 -0.36 -0.03 0.00 0.84 0.00 0.00 57.88 58.12 1xyl h LEU 764 Cb 1.06 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.88 1xyl h LEU 764 CO 1.18 0.90 0.20 0.03 -0.34 0.00 0.00 178.44 180.41 1xyl h ARG 765 N 0.48 0.77 -0.48 1.25 2.47 -1.92 -2.19 114.38 114.76 1xyl h ARG 765 Ca 0.09 -0.12 -0.06 0.00 -1.26 0.00 0.00 59.98 58.64 1xyl h ARG 765 Cb 0.59 -0.14 -0.02 0.00 -1.65 0.00 0.00 29.97 28.75 1xyl h ARG 765 CO 0.04 0.64 0.07 0.00 0.56 0.00 0.00 179.97 181.28 1xyl h ALA 766 N 1.46 1.22 -0.65 0.04 0.00 -1.95 -1.77 119.26 117.62 1xyl h ALA 766 Ca 0.18 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1xyl h ALA 766 Cb 0.17 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1xyl h ALA 766 CO -0.02 0.53 0.40 0.00 0.00 0.00 0.00 179.25 180.16 1xyl h ALA 767 N 1.36 0.82 -0.27 0.00 0.00 -1.19 0.50 119.26 120.49 1xyl h ALA 767 Ca 0.15 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1xyl h ALA 767 Cb 0.33 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1xyl h ALA 767 CO 0.01 0.28 0.12 0.35 0.00 0.00 0.00 179.25 180.01 1xyl h PHE 768 N 0.88 0.40 0.00 0.00 3.57 -0.98 -0.97 116.94 119.84 1xyl h PHE 768 Ca 0.23 -0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.63 1xyl h PHE 768 Cb -0.05 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.56 1xyl h PHE 768 CO -0.02 0.39 -0.36 -1.49 -2.23 0.00 0.00 178.31 174.60 1xyl h TRP 769 N 0.29 0.00 -0.01 0.41 4.06 -1.18 -1.18 115.95 118.35 1xyl h TRP 769 Ca 0.09 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 61.04 1xyl h TRP 769 Cb 0.15 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.31 1xyl h TRP 769 CO -0.01 0.36 -0.01 1.25 -3.56 0.00 0.00 178.44 176.47 1xyl h LEU 770 N 0.00 0.02 -1.14 -4.49 5.85 -0.61 -1.99 115.31 112.96 1xyl h LEU 770 Ca -0.00 -0.54 0.03 0.00 0.84 0.00 0.00 57.88 58.21 1xyl h LEU 770 Cb 0.89 -0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.86 1xyl h LEU 770 CO 0.05 0.56 0.59 0.58 -0.34 0.00 0.00 178.44 179.87 1xyl h VAL 771 N -0.51 1.16 -0.65 1.05 2.07 -1.02 -0.38 116.25 117.97 1xyl h VAL 771 Ca 0.00 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 67.14 1xyl h VAL 771 Cb 0.55 -0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.22 1xyl h VAL 771 CO 0.00 0.21 0.42 -0.78 0.02 0.00 0.00 177.57 177.44 1xyl h ASP 772 N 1.13 0.76 -0.07 0.57 3.58 -1.18 -0.97 116.42 120.24 1xyl h ASP 772 Ca 0.35 -0.03 -0.01 0.00 0.42 0.00 0.00 57.03 57.76 1xyl h ASP 772 Cb 0.01 -0.19 -0.00 0.00 1.72 0.00 0.00 39.33 40.87 1xyl h ASP 772 CO -0.10 0.56 -0.01 0.25 -2.88 0.00 0.00 179.24 177.05 1xyl h LEU 773 N 0.88 0.13 -1.04 2.28 6.46 -0.57 -0.04 115.31 123.41 1xyl h LEU 773 Ca 0.24 -0.36 -0.03 0.00 -0.12 0.00 0.00 57.88 57.60 1xyl h LEU 773 Cb -0.08 -0.04 -0.03 0.00 -0.73 0.00 0.00 40.66 39.78 1xyl h LEU 773 CO -0.05 0.46 0.29 -0.07 -0.62 0.00 0.00 178.44 178.45 1xyl h LEU 774 N -0.21 0.88 0.18 2.25 3.38 -0.85 0.28 115.31 121.23 1xyl h LEU 774 Ca 0.02 -0.11 -0.31 0.00 0.09 0.00 0.00 57.88 57.56 1xyl h LEU 774 Cb 0.40 -0.23 0.03 0.00 0.09 0.00 0.00 40.66 40.96 1xyl h LEU 774 CO 0.01 0.78 -1.36 -0.33 0.09 0.00 0.00 178.44 177.63 1xyl h GLU 775 N 0.96 0.51 0.00 1.13 4.39 -1.16 -1.79 114.58 118.63 1xyl h GLU 775 Ca 0.23 -0.80 -0.08 0.00 0.34 0.00 0.00 59.36 59.04 1xyl h GLU 775 Cb 0.15 0.29 -0.01 0.00 -0.10 0.00 0.00 28.75 29.08 1xyl h GLU 775 CO -0.02 1.38 -0.40 0.66 -1.16 0.00 0.00 179.01 179.46 1xyl h SER 776 N 0.17 0.00 0.22 1.42 4.64 -0.75 -2.65 113.55 116.61 1xyl h SER 776 Ca -0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.11 1xyl h SER 776 Cb 2.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.14 1xyl h SER 776 CO 0.25 0.40 0.00 0.00 -0.87 0.00 0.00 176.83 176.61 1xyl n ALA 777 N -2.22 2.57 -2.64 5.18 0.00 0.07 -4.92 120.51 118.54 1xyl n ALA 777 Ca 0.02 -0.17 -0.18 0.00 0.00 0.00 0.00 53.44 53.10 1xyl n ALA 777 Cb 0.64 -1.49 0.01 0.00 0.00 0.00 0.00 19.45 18.61 1xyl n ALA 777 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xyl n GLY 778 N 1.04 -0.33 3.68 0.00 0.00 -1.00 -4.96 105.19 103.63 1xyl n GLY 778 Ca 0.20 -0.09 -0.45 0.00 0.00 0.00 0.00 46.02 45.68 1xyl n GLY 778 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1xyl n TYR 779 N -4.18 2.34 0.16 1.61 9.36 -0.70 -4.91 117.16 120.84 1xyl n TYR 779 Ca -0.14 0.30 0.03 0.00 3.32 0.00 0.00 57.90 61.40 1xyl n TYR 779 Cb 0.62 -2.53 0.03 0.00 -0.63 0.00 0.00 39.34 36.83 1xyl n TYR 779 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47 1xyl n GLU 780 N 2.91 0.41 -2.13 2.98 1.02 -1.26 -4.92 120.64 119.65 1xyl n GLU 780 Ca 0.14 -1.02 -0.28 0.00 -0.02 0.00 0.00 57.16 55.98 1xyl n GLU 780 Cb 0.31 -1.11 0.18 0.00 -0.02 0.00 0.00 31.44 30.80 1xyl n GLU 780 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1xyl s GLY 781 N -0.56 1.79 0.54 0.62 0.00 -1.26 -5.02 107.32 103.43 1xyl s GLY 781 Ca 0.07 -1.44 -0.22 0.00 0.00 0.00 0.00 44.72 43.13 1xyl s GLY 781 CO 0.07 -0.69 1.38 -4.14 0.00 0.00 0.00 173.10 169.72 1xyl s PRO 782 N -5.71 3.16 -0.91 2.90 0.02 -1.26 -4.96 135.00 128.23 1xyl s PRO 782 Ca 0.73 2.29 -0.14 0.00 0.02 0.00 0.00 61.00 63.90 1xyl s PRO 782 Cb -0.03 -2.29 0.20 0.00 0.02 0.00 0.00 34.50 32.40 1xyl s PRO 782 CO 0.51 -1.19 0.94 1.03 -0.33 0.00 0.00 177.00 177.96 1xyl s ARG 783 N -2.88 3.72 -0.04 5.54 3.00 -0.53 -4.37 118.95 123.40 1xyl s ARG 783 Ca 0.71 -2.40 -0.17 0.00 0.00 0.00 0.00 55.73 53.87 1xyl s ARG 783 Cb -0.42 -4.60 -0.05 0.00 0.00 0.00 0.00 34.95 29.88 1xyl s ARG 783 CO 0.50 -1.43 0.46 -1.58 0.00 0.00 0.00 175.30 173.25 1xyl s HIS 784 N 0.67 3.65 -0.29 -0.53 2.46 -1.18 -1.94 115.29 118.11 1xyl s HIS 784 Ca 0.25 0.99 -0.09 0.00 0.47 0.00 0.00 55.06 56.67 1xyl s HIS 784 Cb -0.08 -2.43 -0.02 0.00 -0.13 0.00 0.00 32.58 29.92 1xyl s HIS 784 CO -0.08 0.43 0.14 -0.06 -2.47 0.00 0.00 174.74 172.70 1xyl s PHE 785 N -0.35 3.16 -0.57 3.88 0.08 0.03 -0.61 117.98 123.59 1xyl s PHE 785 Ca 0.25 -0.44 -0.02 0.00 0.12 0.00 0.00 56.93 56.83 1xyl s PHE 785 Cb -0.16 -2.33 0.15 0.00 -0.57 0.00 0.00 43.02 40.10 1xyl s PHE 785 CO 0.13 -0.39 0.38 0.34 -0.10 0.00 0.00 175.22 175.57 1xyl s ASP 786 N 1.63 5.20 0.25 1.36 2.15 -1.12 -3.63 116.67 122.52 1xyl s ASP 786 Ca 0.05 -2.68 0.01 0.00 0.43 0.00 0.00 52.55 50.37 1xyl s ASP 786 Cb -0.16 -1.84 -0.04 0.00 -0.30 0.00 0.00 42.92 40.58 1xyl s ASP 786 CO 0.06 -0.40 0.15 0.72 -0.17 0.00 0.00 175.17 175.53 1xyl s PHE 787 N 0.19 1.43 -0.08 -5.34 -0.71 -1.26 -4.63 117.98 107.58 1xyl s PHE 787 Ca 0.15 -1.36 -0.01 0.00 -1.04 0.00 0.00 56.93 54.67 1xyl s PHE 787 Cb -0.21 -0.73 0.03 0.00 -1.21 0.00 0.00 43.02 40.89 1xyl s PHE 787 CO -0.03 -0.56 -0.01 0.15 -1.34 0.00 0.00 175.22 173.42 1xyl s LYS 788 N -3.97 0.74 0.18 1.99 1.02 0.53 -4.39 119.74 115.84 1xyl s LYS 788 Ca 0.38 0.06 -0.32 0.00 0.02 0.00 0.00 55.97 56.11 1xyl s LYS 788 Cb 0.06 -1.06 -0.11 0.00 -0.52 0.00 0.00 37.83 36.20 1xyl s LYS 788 CO 0.15 -0.30 1.73 -2.14 -0.92 0.00 0.00 175.35 173.88 1xyl s PRO 789 N 1.94 4.14 0.46 -1.68 0.02 -1.26 -4.63 135.00 133.99 1xyl s PRO 789 Ca 0.05 2.58 -0.22 0.00 0.02 0.00 0.00 61.00 63.43 1xyl s PRO 789 Cb -0.12 -3.21 -0.11 0.00 0.02 0.00 0.00 34.50 31.08 1xyl s PRO 789 CO -0.06 -0.76 0.68 -2.30 -0.33 0.00 0.00 177.00 174.24 1xyl n PRO 790 N 4.41 0.77 0.00 5.54 -0.02 -1.26 -4.86 135.00 139.58 1xyl n PRO 790 Ca 0.16 0.28 0.10 0.00 -2.02 0.00 0.00 63.50 62.03 1xyl n PRO 790 Cb 0.36 -1.72 0.55 0.00 -0.02 0.00 0.00 33.50 32.67 1xyl n PRO 790 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 1xyl n ARG 791 N 0.23 0.42 0.19 -0.52 1.85 -1.26 -1.78 116.66 115.80 1xyl n ARG 791 Ca 0.11 0.06 0.14 0.00 -1.00 0.00 0.00 57.85 57.16 1xyl n ARG 791 Cb 0.42 -1.50 0.58 0.00 -1.05 0.00 0.00 32.46 30.91 1xyl n ARG 791 CO 0.00 0.00 0.00 1.79 -0.01 0.00 0.00 177.63 179.41 1xyl h THR 792 N 0.00 0.00 -3.13 8.89 1.35 -1.98 -3.45 112.91 114.60 1xyl h THR 792 Ca 0.00 -0.30 -0.59 0.00 -0.55 0.00 0.00 66.41 64.98 1xyl h THR 792 Cb 0.12 1.11 -0.04 0.00 -1.73 0.00 0.00 68.15 67.61 1xyl h THR 792 CO 0.00 0.00 -0.31 -1.61 -0.25 0.00 0.00 175.52 173.35 1xyl s GLU 793 N -3.47 3.63 0.00 4.72 0.41 -0.73 -5.11 118.70 118.15 1xyl s GLU 793 Ca 0.03 -0.06 0.00 0.00 -0.41 0.00 0.00 54.97 54.53 1xyl s GLU 793 Cb 0.09 -2.90 0.00 0.00 -1.78 0.00 0.00 34.13 29.55 1xyl s GLU 793 CO 0.43 0.50 0.00 -0.40 -0.49 0.00 0.00 175.26 175.30 1xyl n ASP 794 N 0.30 0.00 0.24 -0.19 5.68 -1.26 -4.84 116.55 116.49 1xyl n ASP 794 Ca -0.04 -0.72 0.11 0.00 -0.50 0.00 0.00 54.79 53.64 1xyl n ASP 794 Cb 0.52 0.00 0.62 0.00 -1.14 0.00 0.00 41.12 41.12 1xyl n ASP 794 CO 0.00 0.00 0.00 -0.29 -1.33 0.00 0.00 177.20 175.58 1xyl h ILE 795 N -0.31 0.62 -0.16 2.12 6.09 -1.99 -1.22 117.51 122.66 1xyl h ILE 795 Ca 0.00 -0.77 -0.14 0.00 -1.37 0.00 0.00 64.86 62.58 1xyl h ILE 795 Cb 0.00 1.50 -0.01 0.00 0.47 0.00 0.00 36.82 38.78 1xyl h ILE 795 CO 0.00 0.17 -0.50 0.44 -3.07 0.00 0.00 178.15 175.20 1xyl h ASP 796 N 0.00 0.46 0.28 2.19 3.32 -2.00 -2.73 116.42 117.93 1xyl h ASP 796 Ca -0.00 -0.23 -0.14 0.00 0.02 0.00 0.00 57.03 56.68 1xyl h ASP 796 Cb 0.48 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 1xyl h ASP 796 CO 0.02 0.88 -0.55 1.23 -1.72 0.00 0.00 179.24 179.10 1xyl h GLY 797 N 1.19 0.31 0.67 2.75 0.00 -1.72 -2.26 103.07 104.01 1xyl h GLY 797 Ca 0.02 -0.36 0.03 0.00 0.00 0.00 0.00 47.33 47.01 1xyl h GLY 797 CO 0.09 0.32 -0.06 -2.08 0.00 0.00 0.00 176.54 174.81 1xyl h VAL 798 N 0.22 0.80 0.00 4.60 2.07 -1.07 0.55 116.25 123.42 1xyl h VAL 798 Ca 0.00 0.00 -0.13 0.00 0.82 0.00 0.00 66.70 67.39 1xyl h VAL 798 Cb 1.04 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 31.59 1xyl h VAL 798 CO 0.09 0.00 -0.63 -0.50 0.02 0.00 0.00 177.57 176.55 1xyl h TRP 799 N -0.05 0.00 -0.62 1.57 -0.00 -1.43 -2.19 115.95 113.22 1xyl h TRP 799 Ca 0.07 0.00 -0.07 0.00 -0.00 0.00 0.00 58.89 58.89 1xyl h TRP 799 Cb 0.16 0.00 -0.03 0.00 -0.00 0.00 0.00 29.16 29.29 1xyl h TRP 799 CO -0.19 0.63 0.12 0.00 -0.00 0.00 0.00 178.44 178.99 1xyl h ALA 800 N 1.37 1.03 -0.53 1.49 0.00 -1.09 -0.12 119.26 121.41 1xyl h ALA 800 Ca -0.01 -0.25 -0.11 0.00 0.00 0.00 0.00 54.91 54.55 1xyl h ALA 800 Cb 1.18 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 1xyl h ALA 800 CO 0.08 0.63 -0.09 1.03 0.00 0.00 0.00 179.25 180.90 1xyl h SER 801 N 0.95 1.00 -0.21 0.00 0.87 -0.72 -1.29 113.55 114.15 1xyl h SER 801 Ca 0.20 -0.34 -0.16 0.00 -1.23 0.00 0.00 61.79 60.25 1xyl h SER 801 Cb 0.39 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.07 1xyl h SER 801 CO 0.01 1.11 -0.46 0.00 -0.53 0.00 0.00 176.83 176.96 1xyl h ALA 802 N 0.92 0.62 -0.27 6.23 0.00 -1.27 -1.54 119.26 123.95 1xyl h ALA 802 Ca 0.14 -0.48 -0.09 0.00 0.00 0.00 0.00 54.91 54.48 1xyl h ALA 802 Cb 0.65 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1xyl h ALA 802 CO 0.04 0.68 -0.20 0.00 0.00 0.00 0.00 179.25 179.77 1xyl h ALA 803 N 0.85 1.15 -0.05 0.00 0.00 -0.90 -2.64 119.26 117.68 1xyl h ALA 803 Ca 0.04 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 54.58 1xyl h ALA 803 Cb 1.03 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1xyl h ALA 803 CO 0.10 0.54 -0.21 0.78 0.00 0.00 0.00 179.25 180.45 1xyl h GLY 804 N 0.98 0.08 0.74 0.00 0.00 -0.56 -1.98 103.07 102.34 1xyl h GLY 804 Ca 0.07 -0.05 0.03 0.00 0.00 0.00 0.00 47.33 47.38 1xyl h GLY 804 CO 0.04 0.05 0.08 0.00 0.00 0.00 0.00 176.54 176.72 1xyl h MET 806 N 0.20 0.80 -0.87 0.00 2.86 -1.51 -2.82 114.93 113.59 1xyl h MET 806 Ca 0.13 -0.56 -0.02 0.00 -2.06 0.00 0.00 59.70 57.19 1xyl h MET 806 Cb 0.11 0.09 -0.04 0.00 0.06 0.00 0.00 31.60 31.81 1xyl h MET 806 CO -0.14 1.18 0.46 -0.09 1.06 0.00 0.00 176.91 179.38 1xyl h ARG 807 N 0.54 1.21 -0.07 1.72 2.43 -1.29 -2.17 114.38 116.76 1xyl h ARG 807 Ca -0.01 -0.15 -0.13 0.00 -0.81 0.00 0.00 59.98 58.88 1xyl h ARG 807 Cb 1.21 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 30.51 1xyl h ARG 807 CO 0.13 0.90 -0.55 -0.91 -1.51 0.00 0.00 179.97 178.02 1xyl h ASN 808 N 1.21 0.22 -0.37 -3.80 -0.26 -1.30 -0.29 115.58 110.99 1xyl h ASN 808 Ca 0.30 -0.11 -0.05 0.00 -0.56 0.00 0.00 56.30 55.88 1xyl h ASN 808 Cb 0.04 -0.06 -0.01 0.00 -1.06 0.00 0.00 38.32 37.23 1xyl h ASN 808 CO -0.05 0.73 0.05 0.22 -1.06 0.00 0.00 177.43 177.32 1xyl h TYR 809 N 0.15 0.66 -0.32 1.19 5.03 -1.20 -1.85 116.97 120.63 1xyl h TYR 809 Ca -0.00 -0.10 -0.12 0.00 2.58 0.00 0.00 58.73 61.09 1xyl h TYR 809 Cb 1.02 -0.18 -0.01 0.00 1.55 0.00 0.00 36.73 39.11 1xyl h TYR 809 CO 0.02 0.68 -0.30 -0.07 -1.32 0.00 0.00 178.16 177.16 1xyl h LEU 810 N 0.45 0.70 -0.37 2.82 3.38 -1.00 0.14 115.31 121.43 1xyl h LEU 810 Ca 0.11 -0.28 -0.04 0.00 0.09 0.00 0.00 57.88 57.76 1xyl h LEU 810 Cb 0.38 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1xyl h LEU 810 CO 0.01 0.96 0.07 0.40 0.09 0.00 0.00 178.44 179.97 1xyl h ILE 811 N 0.58 1.24 -0.35 1.22 2.04 -0.98 -2.51 117.51 118.75 1xyl h ILE 811 Ca 0.07 -0.83 -0.07 0.00 1.00 0.00 0.00 64.86 65.02 1xyl h ILE 811 Cb 0.81 1.06 -0.02 0.00 -0.74 0.00 0.00 36.82 37.93 1xyl h ILE 811 CO 0.07 0.28 -0.10 -0.07 0.00 0.00 0.00 178.15 178.33 1xyl h LEU 812 N 0.46 0.57 -0.94 1.44 3.38 -1.08 -1.26 115.31 117.87 1xyl h LEU 812 Ca 0.11 -0.15 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 1xyl h LEU 812 Cb 0.35 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 1xyl h LEU 812 CO 0.01 0.70 0.22 0.50 0.09 0.00 0.00 178.44 179.96 1xyl h LYS 813 N 0.54 0.99 -0.30 1.13 3.64 -0.62 -0.71 116.57 121.25 1xyl h LYS 813 Ca 0.10 -0.19 -0.12 0.00 -1.27 0.00 0.00 60.65 59.17 1xyl h LYS 813 Cb 0.49 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.15 1xyl h LYS 813 CO 0.03 0.84 -0.28 1.49 -2.27 0.00 0.00 179.45 179.26 1xyl h GLU 814 N 0.96 0.72 -0.48 1.90 4.81 -0.98 -2.51 114.58 119.00 1xyl h GLU 814 Ca 0.22 -0.37 -0.10 0.00 -0.13 0.00 0.00 59.36 58.98 1xyl h GLU 814 Cb 0.25 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.62 1xyl h GLU 814 CO -0.01 0.99 -0.10 0.00 -0.73 0.00 0.00 179.01 179.16 1xyl h ARG 815 N 0.47 0.86 -0.31 1.92 2.47 -0.87 -1.39 114.38 117.53 1xyl h ARG 815 Ca 0.05 -0.29 -0.14 0.00 -1.26 0.00 0.00 59.98 58.34 1xyl h ARG 815 Cb 0.84 -0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 29.08 1xyl h ARG 815 CO 0.07 0.92 -0.38 0.00 0.56 0.00 0.00 179.97 181.14 1xyl h ALA 816 N 1.11 0.74 -0.29 0.04 0.00 -1.15 -1.75 119.26 117.96 1xyl h ALA 816 Ca 0.13 -0.44 -0.14 0.00 0.00 0.00 0.00 54.91 54.46 1xyl h ALA 816 Cb 0.60 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1xyl h ALA 816 CO 0.04 0.66 -0.40 0.00 0.00 0.00 0.00 179.25 179.54 1xyl h ALA 817 N 0.97 0.74 -0.41 0.00 0.00 -1.39 -1.41 119.26 117.76 1xyl h ALA 817 Ca 0.05 -0.45 -0.07 0.00 0.00 0.00 0.00 54.91 54.44 1xyl h ALA 817 Cb 0.92 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 1xyl h ALA 817 CO 0.08 0.66 -0.06 0.00 0.00 0.00 0.00 179.25 179.94 1xyl h ALA 818 N 0.97 1.14 0.48 0.00 0.00 -1.04 -2.25 119.26 118.55 1xyl h ALA 818 Ca 0.05 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 1xyl h ALA 818 Cb 0.94 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1xyl h ALA 818 CO 0.09 0.55 -0.23 0.35 0.00 0.00 0.00 179.25 180.00 1xyl h PHE 819 N 0.64 -0.59 0.00 0.00 3.57 -1.02 -2.06 116.94 117.47 1xyl h PHE 819 Ca 0.12 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.57 1xyl h PHE 819 Cb 0.48 0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.41 1xyl h PHE 819 CO 0.02 -0.35 -0.18 0.00 -2.23 0.00 0.00 178.31 175.57 1xyl h ARG 820 N -0.68 0.00 0.00 1.11 2.47 -1.26 -2.83 114.38 113.20 1xyl h ARG 820 Ca -0.07 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.65 1xyl h ARG 820 Cb 0.51 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.83 1xyl h ARG 820 CO 0.11 0.18 -0.28 0.00 0.56 0.00 0.00 179.97 180.53 1xyl n ALA 821 N -2.24 2.86 -2.28 0.04 0.00 -0.85 -4.74 120.51 113.29 1xyl n ALA 821 Ca -0.01 -0.21 -0.42 0.00 0.00 0.00 0.00 53.44 52.80 1xyl n ALA 821 Cb 0.35 -1.30 -0.03 0.00 0.00 0.00 0.00 19.45 18.48 1xyl n ALA 821 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1xyl s ASP 822 N -3.39 6.88 0.47 0.00 -1.08 -0.79 -4.90 116.67 113.87 1xyl s ASP 822 Ca 0.11 1.98 0.13 0.00 -0.52 0.00 0.00 52.55 54.25 1xyl s ASP 822 Cb 0.17 -2.55 1.10 0.00 -1.46 0.00 0.00 42.92 40.18 1xyl s ASP 822 CO 0.63 -0.73 2.10 -0.65 0.52 0.00 0.00 175.17 177.03 1xyl h PRO 823 N 8.09 0.23 -0.11 4.34 0.11 -1.90 0.25 132.00 143.02 1xyl h PRO 823 Ca -0.35 -0.01 -0.09 0.00 0.11 0.00 0.00 66.00 65.66 1xyl h PRO 823 Cb 1.16 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 1xyl h PRO 823 CO 0.92 0.16 -0.34 1.49 -0.21 0.00 0.00 178.00 180.02 1xyl h GLU 824 N 0.24 0.22 0.01 1.05 4.81 -1.95 -1.24 114.58 117.71 1xyl h GLU 824 Ca 0.09 -0.09 -0.26 0.00 -0.13 0.00 0.00 59.36 58.98 1xyl h GLU 824 Cb 0.07 -0.01 0.02 0.00 0.63 0.00 0.00 28.75 29.45 1xyl h GLU 824 CO -0.02 0.53 -1.03 0.28 -0.73 0.00 0.00 179.01 178.05 1xyl h VAL 825 N 0.19 1.32 -0.48 0.32 2.07 -1.28 -1.65 116.25 116.73 1xyl h VAL 825 Ca 0.02 -2.32 -0.05 0.00 0.82 0.00 0.00 66.70 65.17 1xyl h VAL 825 Cb 0.69 2.41 -0.02 0.00 -1.52 0.00 0.00 31.29 32.85 1xyl h VAL 825 CO 0.05 0.71 0.09 1.56 0.02 0.00 0.00 177.57 180.00 1xyl h GLN 826 N 0.34 0.73 -0.39 1.57 4.20 -0.96 -0.57 115.11 120.03 1xyl h GLN 826 Ca -0.12 -0.15 -0.06 0.00 0.06 0.00 0.00 58.65 58.39 1xyl h GLN 826 Cb 1.67 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 29.33 1xyl h GLN 826 CO 0.19 0.68 0.02 1.49 -0.67 0.00 0.00 178.83 180.55 1xyl h GLU 827 N 0.70 0.68 -0.43 1.46 4.81 -1.22 -2.81 114.58 117.77 1xyl h GLU 827 Ca 0.15 -0.21 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 1xyl h GLU 827 Cb 0.30 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.59 1xyl h GLU 827 CO 0.00 0.76 0.22 0.00 -0.73 0.00 0.00 179.01 179.27 1xyl h ALA 828 N 0.89 1.59 -0.37 2.92 0.00 -0.81 -0.97 119.26 122.52 1xyl h ALA 828 Ca 0.11 -0.08 -0.15 0.00 0.00 0.00 0.00 54.91 54.79 1xyl h ALA 828 Cb 0.44 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1xyl h ALA 828 CO 0.02 0.34 -0.38 -0.07 0.00 0.00 0.00 179.25 179.16 1xyl h LEU 829 N 0.59 0.93 -0.73 0.00 3.38 -0.92 -1.38 115.31 117.18 1xyl h LEU 829 Ca 0.15 -0.42 -0.08 0.00 0.09 0.00 0.00 57.88 57.62 1xyl h LEU 829 Cb 0.03 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 1xyl h LEU 829 CO -0.02 1.20 0.04 0.03 0.09 0.00 0.00 178.44 179.77 1xyl h ARG 830 N 0.72 1.01 -0.27 1.13 3.08 -1.29 0.16 114.38 118.93 1xyl h ARG 830 Ca 0.06 -0.29 -0.03 0.00 0.07 0.00 0.00 59.98 59.79 1xyl h ARG 830 Cb 0.96 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.88 1xyl h ARG 830 CO 0.09 0.97 0.01 0.00 -1.07 0.00 0.00 179.97 179.97 1xyl h ALA 831 N 1.10 1.53 -0.33 0.04 0.00 -0.83 -1.15 119.26 119.61 1xyl h ALA 831 Ca 0.18 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1xyl h ALA 831 Cb 0.49 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1xyl h ALA 831 CO 0.02 0.34 0.00 0.43 0.00 0.00 0.00 179.25 180.04 1xyl n SER 832 N -4.34 2.37 -2.39 0.00 7.64 -0.55 -4.81 113.62 111.54 1xyl n SER 832 Ca 0.01 -1.88 -0.19 0.00 1.01 0.00 0.00 58.87 57.81 1xyl n SER 832 Cb 0.20 -0.22 0.01 0.00 -1.01 0.00 0.00 64.21 63.19 1xyl n SER 832 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1xyl n ARG 833 N 0.78 -2.83 0.27 1.43 3.00 -0.44 -4.92 116.66 113.95 1xyl n ARG 833 Ca 0.17 0.86 0.13 0.00 -0.01 0.00 0.00 57.85 59.00 1xyl n ARG 833 Cb 0.41 -5.45 0.74 0.00 0.00 0.00 0.00 32.46 28.16 1xyl n ARG 833 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.63 177.56 1xyl h LEU 834 N -0.58 0.00 -0.72 0.55 3.38 -1.21 -2.18 115.31 114.54 1xyl h LEU 834 Ca -0.46 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.39 1xyl h LEU 834 Cb 1.33 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.06 1xyl h LEU 834 CO 0.52 0.11 -0.30 -2.24 0.09 0.00 0.00 178.44 176.61 1xyl h ASP 835 N 0.00 0.67 0.99 -0.43 2.03 -1.88 -2.98 116.42 114.82 1xyl h ASP 835 Ca -0.00 -0.26 -0.03 0.00 -0.73 0.00 0.00 57.03 56.01 1xyl h ASP 835 Cb 0.32 -0.18 -0.00 0.00 -0.83 0.00 0.00 39.33 38.63 1xyl h ASP 835 CO 0.01 0.93 -0.14 -0.33 -1.03 0.00 0.00 179.24 178.69 1xyl h GLU 836 N 0.55 0.00 0.00 4.15 5.08 -1.78 -2.59 114.58 119.99 1xyl h GLU 836 Ca 0.07 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.40 1xyl h GLU 836 Cb 0.80 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.04 1xyl h GLU 836 CO 0.07 0.14 -0.11 1.25 -1.00 0.00 0.00 179.01 179.35 1xyl h LEU 837 N 0.00 0.00 -0.55 1.33 5.85 -1.32 -2.71 115.31 117.91 1xyl h LEU 837 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1xyl h LEU 837 Cb 0.67 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.70 1xyl h LEU 837 CO 0.02 0.11 0.00 0.00 -0.34 0.00 0.00 178.44 178.23 1xyl h ALA 838 N 1.89 1.00 -2.61 1.25 0.00 -1.51 -3.44 119.26 115.84 1xyl h ALA 838 Ca -0.00 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.39 1xyl h ALA 838 Cb 0.21 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.01 1xyl h ALA 838 CO 0.01 0.00 0.55 -0.65 0.00 0.00 0.00 179.25 179.16 1xyl s GLN 839 N -3.36 4.49 0.25 0.00 -0.21 -1.02 -5.01 119.66 114.79 1xyl s GLN 839 Ca 0.05 1.82 -0.30 0.00 0.02 0.00 0.00 55.36 56.95 1xyl s GLN 839 Cb 0.07 -3.28 -0.14 0.00 1.00 0.00 0.00 33.01 30.67 1xyl s GLN 839 CO 0.60 -0.11 1.19 -2.30 -2.12 0.00 0.00 175.29 172.55 1xyl n PRO 840 N 2.89 1.55 -0.18 2.91 -0.02 -1.26 -4.93 135.00 135.97 1xyl n PRO 840 Ca 0.05 0.55 -0.09 0.00 -2.02 0.00 0.00 63.50 62.00 1xyl n PRO 840 Cb 0.45 -2.05 0.01 0.00 -0.02 0.00 0.00 33.50 31.89 1xyl n PRO 840 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 1xyl h THR 841 N 2.52 1.23 -1.00 3.45 2.02 -1.94 -3.40 112.91 115.79 1xyl h THR 841 Ca -0.43 -0.77 -0.39 0.00 0.77 0.00 0.00 66.41 65.60 1xyl h THR 841 Cb 1.32 0.78 -0.27 0.00 -1.74 0.00 0.00 68.15 68.24 1xyl h THR 841 CO 0.67 0.28 -0.80 0.00 0.37 0.00 0.00 175.52 176.04 1xyl n ALA 842 N -2.36 0.52 0.31 6.16 0.00 -1.26 -4.91 120.51 118.97 1xyl n ALA 842 Ca 0.02 -2.41 0.15 0.00 0.00 0.00 0.00 53.44 51.20 1xyl n ALA 842 Cb 0.19 -1.07 0.52 0.00 0.00 0.00 0.00 19.45 19.09 1xyl n ALA 842 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xyl h ALA 843 N 3.87 1.00 0.00 0.00 0.00 -1.99 -2.56 119.26 119.58 1xyl h ALA 843 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1xyl h ALA 843 Cb 0.97 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1xyl h ALA 843 CO 0.38 0.00 0.00 0.38 0.00 0.00 0.00 179.25 180.01 1xyl h ASP 844 N 0.00 0.00 -5.00 0.00 2.03 -1.95 -3.48 116.42 108.01 1xyl h ASP 844 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1xyl h ASP 844 Cb 0.62 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.12 1xyl h ASP 844 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 179.24 178.82 1xyl n GLY 845 N -0.71 1.57 0.19 7.15 0.00 -0.97 -4.36 105.19 108.07 1xyl n GLY 845 Ca -0.01 -1.98 -0.09 0.00 0.00 0.00 0.00 46.02 43.94 1xyl n GLY 845 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1xyl h VAL 846 N 0.00 1.21 -0.70 1.61 2.07 -1.94 -1.34 116.25 117.16 1xyl h VAL 846 Ca 0.00 -0.67 -0.07 0.00 0.82 0.00 0.00 66.70 66.79 1xyl h VAL 846 Cb 0.00 0.91 -0.03 0.00 -1.52 0.00 0.00 31.29 30.65 1xyl h VAL 846 CO 0.00 0.24 0.18 1.56 0.02 0.00 0.00 177.57 179.56 1xyl h GLN 847 N 0.48 1.11 -0.28 1.57 7.50 -1.99 0.91 115.11 124.41 1xyl h GLN 847 Ca 0.13 -0.26 -0.09 0.00 0.50 0.00 0.00 58.65 58.93 1xyl h GLN 847 Cb 0.23 -0.15 -0.01 0.00 0.05 0.00 0.00 27.48 27.60 1xyl h GLN 847 CO -0.01 0.98 -0.19 0.93 -1.50 0.00 0.00 178.83 179.04 1xyl h GLU 848 N 1.04 0.52 -0.51 1.46 4.39 -1.74 -2.33 114.58 117.42 1xyl h GLU 848 Ca 0.22 -0.18 -0.12 0.00 0.34 0.00 0.00 59.36 59.63 1xyl h GLU 848 Cb 0.36 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.95 1xyl h GLU 848 CO 0.00 0.69 -0.14 1.25 -1.16 0.00 0.00 179.01 179.65 1xyl h LEU 849 N 0.47 1.00 -1.65 1.33 5.85 -0.49 -2.56 115.31 119.26 1xyl h LEU 849 Ca 0.08 -0.37 -0.04 0.00 0.84 0.00 0.00 57.88 58.39 1xyl h LEU 849 Cb 0.60 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 1xyl h LEU 849 CO 0.04 1.14 -0.20 -0.07 -0.34 0.00 0.00 178.44 179.02 1xyl h LEU 850 N 0.86 0.00 -0.35 2.25 3.38 -0.61 -2.54 115.31 118.30 1xyl h LEU 850 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1xyl h LEU 850 Cb 0.71 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.46 1xyl h LEU 850 CO 0.05 0.20 -0.37 0.00 0.09 0.00 0.00 178.44 178.41 1xyl n ALA 851 N -2.38 3.31 -2.62 1.53 0.00 -0.90 -4.80 120.51 114.66 1xyl n ALA 851 Ca -0.02 -0.41 -0.43 0.00 0.00 0.00 0.00 53.44 52.59 1xyl n ALA 851 Cb 0.29 -1.10 -0.03 0.00 0.00 0.00 0.00 19.45 18.61 1xyl n ALA 851 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1xyl s ASP 852 N -2.67 6.38 0.51 0.00 2.15 -0.96 -4.89 116.67 117.19 1xyl s ASP 852 Ca 0.19 -0.18 0.29 0.00 0.43 0.00 0.00 52.55 53.29 1xyl s ASP 852 Cb 0.19 -2.48 1.27 0.00 -0.30 0.00 0.00 42.92 41.60 1xyl s ASP 852 CO 0.59 -1.34 1.96 0.03 -0.17 0.00 0.00 175.17 176.24 1xyl h ARG 853 N 9.42 0.00 0.00 4.34 3.08 -1.87 -2.19 114.38 127.16 1xyl h ARG 853 Ca -0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.79 1xyl h ARG 853 Cb 1.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.12 1xyl h ARG 853 CO 1.13 0.11 0.00 0.25 -1.07 0.00 0.00 179.97 180.39 1xyl n THR 854 N -3.30 0.24 0.90 2.04 -2.24 -1.26 -0.31 114.28 110.34 1xyl n THR 854 Ca -0.00 0.02 0.13 0.00 -2.27 0.00 0.00 64.05 61.93 1xyl n THR 854 Cb 0.33 -0.61 0.40 0.00 -2.10 0.00 0.00 70.33 68.35 1xyl n THR 854 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xyl n ALA 855 N -1.53 2.86 -0.31 6.98 0.00 -0.82 -3.79 120.51 123.89 1xyl n ALA 855 Ca 0.06 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1xyl n ALA 855 Cb 0.32 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.47 1xyl n ALA 855 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1xyl n PHE 856 N -1.67 -1.14 -0.24 0.00 7.35 -1.05 -4.82 117.46 115.89 1xyl n PHE 856 Ca 0.06 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.75 1xyl n PHE 856 Cb 0.36 0.34 0.23 0.00 0.35 0.00 0.00 39.48 40.76 1xyl n PHE 856 CO 0.00 0.00 0.00 1.05 -0.76 0.00 0.00 176.76 177.05 1xyl h GLU 857 N 0.00 1.03 -0.48 -4.13 9.09 -1.79 -2.68 114.58 115.62 1xyl h GLU 857 Ca 0.00 -0.06 0.00 0.00 0.05 0.00 0.00 59.36 59.35 1xyl h GLU 857 Cb 0.00 -0.23 0.00 0.00 -1.65 0.00 0.00 28.75 26.87 1xyl h GLU 857 CO 0.00 0.69 0.00 -0.25 0.05 0.00 0.00 179.01 179.50 1xyl n ASP 858 N -4.41 3.81 -4.70 3.06 8.00 0.58 -4.99 116.55 117.90 1xyl n ASP 858 Ca 0.09 -2.31 -0.42 0.00 0.71 0.00 0.00 54.79 52.85 1xyl n ASP 858 Cb 0.03 -0.43 -0.03 0.00 -0.02 0.00 0.00 41.12 40.67 1xyl n ASP 858 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 1xyl s PHE 859 N -1.58 3.04 -0.58 1.24 5.36 -1.01 -4.82 117.98 119.63 1xyl s PHE 859 Ca 0.39 0.88 -0.20 0.00 -0.96 0.00 0.00 56.93 57.04 1xyl s PHE 859 Cb 0.24 -3.68 0.09 0.00 -0.34 0.00 0.00 43.02 39.33 1xyl s PHE 859 CO 0.20 -2.44 0.72 0.34 -1.46 0.00 0.00 175.22 172.58 1xyl s ASP 860 N 1.52 6.20 0.25 6.13 -1.08 -1.26 -4.86 116.67 123.56 1xyl s ASP 860 Ca 0.64 -1.20 0.04 0.00 -0.52 0.00 0.00 52.55 51.51 1xyl s ASP 860 Cb -0.34 -2.32 0.29 0.00 -1.46 0.00 0.00 42.92 39.09 1xyl s ASP 860 CO 0.29 -1.10 1.59 1.62 0.52 0.00 0.00 175.17 178.09 1xyl h VAL 861 N 5.92 1.36 0.00 1.11 3.04 -1.96 -1.99 116.25 123.73 1xyl h VAL 861 Ca -0.29 -1.84 -0.17 0.00 -1.01 0.00 0.00 66.70 63.40 1xyl h VAL 861 Cb 1.09 1.89 -0.02 0.00 -2.01 0.00 0.00 31.29 32.23 1xyl h VAL 861 CO 1.08 0.55 -0.82 0.44 -1.01 0.00 0.00 177.57 177.80 1xyl h ASP 862 N 0.21 0.00 -0.27 3.17 3.32 -1.98 0.70 116.42 121.58 1xyl h ASP 862 Ca 0.00 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.96 1xyl h ASP 862 Cb 1.02 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.57 1xyl h ASP 862 CO 0.09 0.82 -0.21 0.00 -1.72 0.00 0.00 179.24 178.22 1xyl h ALA 863 N 1.18 0.39 -0.46 3.45 0.00 -1.94 -1.96 119.26 119.93 1xyl h ALA 863 Ca -0.01 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 1xyl h ALA 863 Cb 1.54 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.23 1xyl h ALA 863 CO 0.11 0.33 0.23 0.00 0.00 0.00 0.00 179.25 179.92 1xyl h ALA 864 N 0.71 0.59 0.00 0.00 0.00 -1.24 -2.56 119.26 116.75 1xyl h ALA 864 Ca 0.05 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1xyl h ALA 864 Cb 0.75 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 1xyl h ALA 864 CO 0.05 0.13 -0.09 0.00 0.00 0.00 0.00 179.25 179.35 1xyl h ALA 865 N 1.08 1.74 0.00 0.00 0.00 -0.81 -1.39 119.26 119.88 1xyl h ALA 865 Ca 0.16 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1xyl h ALA 865 Cb 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1xyl h ALA 865 CO -0.02 0.11 -0.14 0.00 0.00 0.00 0.00 179.25 179.20 1xyl n ALA 866 N -2.47 2.67 -2.18 0.00 0.00 -0.74 -4.83 120.51 112.95 1xyl n ALA 866 Ca -0.03 -0.17 -0.42 0.00 0.00 0.00 0.00 53.44 52.82 1xyl n ALA 866 Cb 0.17 -1.37 -0.03 0.00 0.00 0.00 0.00 19.45 18.22 1xyl n ALA 866 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1xyl s ARG 867 N -3.00 4.22 0.37 0.00 0.52 -0.53 -4.98 118.95 115.56 1xyl s ARG 867 Ca 0.13 1.98 -0.25 0.00 -0.52 0.00 0.00 55.73 57.06 1xyl s ARG 867 Cb 0.19 -3.82 -0.09 0.00 0.52 0.00 0.00 34.95 31.75 1xyl s ARG 867 CO 0.58 -0.74 1.09 0.20 0.02 0.00 0.00 175.30 176.45 1xyl s GLY 868 N 2.57 2.84 0.14 -3.53 0.00 -1.26 -4.96 107.32 103.13 1xyl s GLY 868 Ca 0.65 0.81 0.27 0.00 0.00 0.00 0.00 44.72 46.46 1xyl s GLY 868 CO 0.24 1.30 1.80 1.03 0.00 0.00 0.00 173.10 177.47 1xyl n MET 869 N 0.23 0.19 -2.38 2.90 0.00 -1.26 -4.93 117.12 111.87 1xyl n MET 869 Ca 0.04 0.15 -0.16 0.00 0.00 0.00 0.00 57.70 57.72 1xyl n MET 869 Cb 0.48 -1.71 -0.01 0.00 0.00 0.00 0.00 33.22 31.98 1xyl n MET 869 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1xyl n ALA 870 N -1.70 -0.69 0.08 3.04 0.00 -1.26 -4.15 120.51 115.84 1xyl n ALA 870 Ca 0.06 0.14 -0.09 0.00 0.00 0.00 0.00 53.44 53.54 1xyl n ALA 870 Cb 0.40 -1.82 -0.06 0.00 0.00 0.00 0.00 19.45 17.98 1xyl n ALA 870 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 1xyl h PHE 871 N 0.00 0.23 -0.25 0.00 0.04 -1.95 -3.03 116.94 111.97 1xyl h PHE 871 Ca -0.38 -0.15 -0.11 0.00 2.80 0.00 0.00 57.97 60.13 1xyl h PHE 871 Cb 1.28 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 39.39 1xyl h PHE 871 CO 0.63 1.02 -0.31 0.93 -0.60 0.00 0.00 178.31 179.98 1xyl h GLU 872 N 0.07 0.53 -0.27 1.51 4.39 -1.99 -1.32 114.58 117.49 1xyl h GLU 872 Ca -0.05 -0.23 -0.02 0.00 0.34 0.00 0.00 59.36 59.40 1xyl h GLU 872 Cb 1.65 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 30.27 1xyl h GLU 872 CO 0.14 0.78 0.09 -0.09 -1.16 0.00 0.00 179.01 178.77 1xyl h ARG 873 N 0.45 0.41 -0.64 2.33 9.65 -1.97 -1.77 114.38 122.85 1xyl h ARG 873 Ca 0.06 -0.09 0.03 0.00 -1.10 0.00 0.00 59.98 58.88 1xyl h ARG 873 Cb 0.77 -0.06 -0.04 0.00 -1.39 0.00 0.00 29.97 29.25 1xyl h ARG 873 CO 0.06 0.47 0.38 1.25 2.80 0.00 0.00 179.97 184.94 1xyl h LEU 874 N 0.27 0.61 -1.06 3.80 5.85 -1.41 -1.88 115.31 121.50 1xyl h LEU 874 Ca 0.09 0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.73 1xyl h LEU 874 Cb 0.23 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 1xyl h LEU 874 CO -0.00 0.42 -0.40 -0.78 -0.34 0.00 0.00 178.44 177.34 1xyl h ASP 875 N 0.74 0.00 0.72 1.25 3.58 -1.00 -2.00 116.42 119.71 1xyl h ASP 875 Ca 0.26 0.00 -0.20 0.00 0.42 0.00 0.00 57.03 57.51 1xyl h ASP 875 Cb 0.06 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.09 1xyl h ASP 875 CO -0.12 0.40 -0.93 -0.61 -2.88 0.00 0.00 179.24 175.10 1xyl h GLN 876 N 0.00 0.12 -0.48 0.28 5.75 -0.91 0.10 115.11 119.97 1xyl h GLN 876 Ca -0.00 -0.15 -0.02 0.00 -0.15 0.00 0.00 58.65 58.33 1xyl h GLN 876 Cb 0.84 0.05 -0.02 0.00 1.07 0.00 0.00 27.48 29.41 1xyl h GLN 876 CO 0.05 0.96 0.23 -0.07 -2.65 0.00 0.00 178.83 177.35 1xyl h LEU 877 N 0.06 0.60 -0.29 -2.39 3.38 -1.08 0.29 115.31 115.87 1xyl h LEU 877 Ca -0.04 -0.05 -0.19 0.00 0.09 0.00 0.00 57.88 57.69 1xyl h LEU 877 Cb 1.59 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 42.19 1xyl h LEU 877 CO 0.13 0.52 -0.57 0.00 0.09 0.00 0.00 178.44 178.61 1xyl h ALA 878 N 1.58 0.46 -0.05 1.53 0.00 -1.07 -1.93 119.26 119.78 1xyl h ALA 878 Ca 0.17 -0.52 -0.00 0.00 0.00 0.00 0.00 54.91 54.55 1xyl h ALA 878 Cb 0.08 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1xyl h ALA 878 CO -0.02 0.68 0.01 1.98 0.00 0.00 0.00 179.25 181.90 1xyl h MET 879 N 0.65 0.07 -0.67 0.00 1.85 -0.66 -1.60 114.93 114.58 1xyl h MET 879 Ca 0.01 -0.02 0.10 0.00 -0.61 0.00 0.00 59.70 59.18 1xyl h MET 879 Cb 1.18 -0.01 -0.08 0.00 0.43 0.00 0.00 31.60 33.13 1xyl h MET 879 CO 0.13 0.25 0.28 -0.44 -0.40 0.00 0.00 176.91 176.73 1xyl h ASP 880 N -0.12 0.32 -0.64 1.39 3.32 -0.92 -1.68 116.42 118.10 1xyl h ASP 880 Ca 0.02 0.08 -0.04 0.00 0.02 0.00 0.00 57.03 57.10 1xyl h ASP 880 Cb 0.21 0.04 -0.03 0.00 0.22 0.00 0.00 39.33 39.76 1xyl h ASP 880 CO -0.00 0.17 0.25 0.45 -1.72 0.00 0.00 179.24 178.39 1xyl h HIS 881 N 0.48 0.99 -0.54 4.55 3.86 -1.22 0.13 115.15 123.40 1xyl h HIS 881 Ca 0.34 -0.08 0.00 0.00 -1.16 0.00 0.00 60.37 59.47 1xyl h HIS 881 Cb 0.42 -0.29 -0.03 0.00 1.06 0.00 0.00 27.41 28.57 1xyl h HIS 881 CO -0.15 0.78 0.34 1.25 0.86 0.00 0.00 177.93 181.02 1xyl h LEU 882 N 0.91 0.63 -0.25 2.43 5.85 -0.97 -2.74 115.31 121.17 1xyl h LEU 882 Ca 0.21 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.90 1xyl h LEU 882 Cb 0.22 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.09 1xyl h LEU 882 CO -0.02 0.48 0.00 0.18 -0.34 0.00 0.00 178.44 178.74 1xyl n LEU 883 N -4.69 0.38 -1.43 2.25 4.77 -0.66 -4.88 117.00 112.74 1xyl n LEU 883 Ca 0.03 -0.14 -0.14 0.00 -0.03 0.00 0.00 56.01 55.73 1xyl n LEU 883 Cb 0.04 -0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.09 1xyl n LEU 883 CO 0.35 0.07 -0.17 0.61 -1.33 0.00 0.00 177.39 176.93 1xyl n GLY 884 N 0.98 0.43 0.52 -0.72 0.00 -0.79 -4.87 105.19 100.74 1xyl n GLY 884 Ca 0.20 -0.31 0.10 0.00 0.00 0.00 0.00 46.02 46.01 1xyl n GLY 884 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xyl n ALA 885 N -0.57 2.52 -1.09 4.61 0.00 0.39 -5.01 120.51 121.37 1xyl n ALA 885 Ca -0.16 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 52.78 1xyl n ALA 885 Cb 0.57 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.92 1xyl n ALA 885 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39