#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2xer n LYS 518 N 0.00 0.12 -0.14 -0.67 5.02 -1.26 -1.10 118.16 120.13 2xer n LYS 518 Ca 0.00 0.59 0.28 0.00 -2.02 0.00 0.00 58.31 57.15 2xer n LYS 518 Cb 0.00 -1.87 0.72 0.00 -0.02 0.00 0.00 35.03 33.85 2xer n LYS 518 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 2xer h ARG 519 N 0.00 0.00 -0.05 1.97 2.43 -1.98 0.92 114.38 117.67 2xer h ARG 519 Ca 0.00 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 2xer h ARG 519 Cb 0.04 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.59 2xer h ARG 519 CO 0.00 0.00 -0.02 -0.09 -1.51 0.00 0.00 179.97 178.35 2xer h ARG 520 N 0.00 0.10 -0.42 0.20 2.43 -1.55 -1.70 114.38 113.43 2xer h ARG 520 Ca 0.39 -0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 59.44 2xer h ARG 520 Cb 1.70 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 31.24 2xer h ARG 520 CO -0.00 0.49 -0.06 -0.22 -1.51 0.00 0.00 179.97 178.66 2xer h LYS 521 N -0.29 0.79 -0.66 0.20 3.64 -1.12 -2.91 116.57 116.22 2xer h LYS 521 Ca 0.01 -0.28 -0.02 0.00 -1.27 0.00 0.00 60.65 59.09 2xer h LYS 521 Cb 0.46 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.19 2xer h LYS 521 CO 0.01 0.89 0.32 1.15 -2.27 0.00 0.00 179.45 179.56 2xer h THR 522 N 0.62 1.21 -0.46 1.00 2.02 -0.99 -1.14 112.91 115.17 2xer h THR 522 Ca 0.11 -0.58 0.13 0.00 0.77 0.00 0.00 66.41 66.85 2xer h THR 522 Cb 0.58 0.36 -0.02 0.00 -1.74 0.00 0.00 68.15 67.33 2xer h THR 522 CO 0.03 0.25 0.34 -0.07 0.37 0.00 0.00 175.52 176.44 2xer h LEU 523 N 0.93 0.00 -0.18 2.58 3.38 -1.11 -0.62 115.31 120.30 2xer h LEU 523 Ca 0.23 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.09 2xer h LEU 523 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 2xer h LEU 523 CO -0.03 0.00 -0.32 0.58 0.09 0.00 0.00 178.44 178.76 2xer h VAL 524 N 0.00 1.34 -0.85 1.22 2.07 -1.14 -1.95 116.25 116.94 2xer h VAL 524 Ca 0.22 -1.56 0.08 0.00 0.82 0.00 0.00 66.70 66.26 2xer h VAL 524 Cb 0.90 1.91 -0.07 0.00 -1.52 0.00 0.00 31.29 32.52 2xer h VAL 524 CO -0.00 0.47 0.51 0.40 0.02 0.00 0.00 177.57 178.97 2xer h ILE 525 N 0.18 0.97 0.35 4.57 1.08 -1.02 -0.09 117.51 123.55 2xer h ILE 525 Ca 0.01 -0.31 -0.02 0.00 -0.39 0.00 0.00 64.86 64.16 2xer h ILE 525 Cb 0.91 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.67 2xer h ILE 525 CO 0.07 0.16 -0.17 0.40 -0.69 0.00 0.00 178.15 177.93 2xer h ILE 526 N 0.89 0.67 -0.52 -0.67 2.04 -1.17 -1.26 117.51 117.50 2xer h ILE 526 Ca 0.39 -0.28 0.03 0.00 1.00 0.00 0.00 64.86 66.00 2xer h ILE 526 Cb 0.28 0.82 -0.03 0.00 -0.74 0.00 0.00 36.82 37.14 2xer h ILE 526 CO -0.21 0.06 0.31 -0.33 0.00 0.00 0.00 178.15 177.97 2xer h GLU 527 N -0.62 0.59 -0.60 2.37 4.39 -1.12 1.14 114.58 120.73 2xer h GLU 527 Ca -0.05 -0.04 0.11 0.00 0.34 0.00 0.00 59.36 59.73 2xer h GLU 527 Cb 0.45 -0.13 -0.08 0.00 -0.10 0.00 0.00 28.75 28.88 2xer h GLU 527 CO 0.08 0.39 0.15 -0.22 -1.16 0.00 0.00 179.01 178.24 2xer h LYS 528 N 0.61 0.27 -0.01 2.33 1.63 -0.96 -0.46 116.57 119.97 2xer h LYS 528 Ca 0.21 -0.02 -0.21 0.00 -0.85 0.00 0.00 60.65 59.79 2xer h LYS 528 Cb 0.03 -0.06 -0.00 0.00 -0.60 0.00 0.00 32.23 31.59 2xer h LYS 528 CO -0.10 0.18 -0.87 1.15 -3.45 0.00 0.00 179.45 176.36 2xer h THR 529 N 0.28 1.42 -0.79 1.00 2.02 -0.21 -3.21 112.91 113.42 2xer h THR 529 Ca 0.31 -2.43 -0.02 0.00 0.77 0.00 0.00 66.41 65.04 2xer h THR 529 Cb 0.45 2.37 -0.04 0.00 -1.74 0.00 0.00 68.15 69.19 2xer h THR 529 CO -0.39 0.72 0.42 0.22 0.37 0.00 0.00 175.52 176.87 2xer h TYR 530 N 0.20 1.10 -0.78 3.16 3.20 0.21 -1.44 116.97 122.62 2xer h TYR 530 Ca -0.06 -0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.79 2xer h TYR 530 Cb 1.49 -0.35 -0.04 0.00 1.54 0.00 0.00 36.73 39.37 2xer h TYR 530 CO 0.05 0.78 0.51 1.03 -1.64 0.00 0.00 178.16 178.89 2xer h SER 531 N 1.10 0.88 -0.85 -2.11 0.87 -1.14 -1.43 113.55 110.89 2xer h SER 531 Ca 0.28 -0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.81 2xer h SER 531 Cb 0.06 -0.22 -0.04 0.00 -0.44 0.00 0.00 62.40 61.76 2xer h SER 531 CO -0.04 0.64 0.49 -0.07 -0.53 0.00 0.00 176.83 177.32 2xer h LEU 532 N 1.04 1.04 0.17 2.23 3.38 -1.43 -2.70 115.31 119.05 2xer h LEU 532 Ca 0.29 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 2xer h LEU 532 Cb -0.11 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.38 2xer h LEU 532 CO -0.07 0.82 -0.08 0.25 0.09 0.00 0.00 178.44 179.45 2xer h LEU 533 N 1.18 -0.20 -1.04 1.67 5.85 -0.25 -2.00 115.31 120.52 2xer h LEU 533 Ca 0.30 -0.01 0.04 0.00 0.84 0.00 0.00 57.88 59.05 2xer h LEU 533 Cb -0.01 0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.01 2xer h LEU 533 CO -0.05 -0.12 0.65 -0.07 -0.34 0.00 0.00 178.44 178.50 2xer h LEU 534 N -0.25 1.08 -0.35 2.25 3.38 -1.23 0.18 115.31 120.37 2xer h LEU 534 Ca -0.02 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 2xer h LEU 534 Cb 0.19 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 2xer h LEU 534 CO 0.04 0.74 0.21 -0.78 0.09 0.00 0.00 178.44 178.74 2xer h ASP 535 N 1.25 0.42 -0.29 -0.43 3.58 -1.30 0.18 116.42 119.84 2xer h ASP 535 Ca 0.39 -0.06 -0.10 0.00 0.42 0.00 0.00 57.03 57.68 2xer h ASP 535 Cb -0.01 -0.11 -0.02 0.00 1.72 0.00 0.00 39.33 40.92 2xer h ASP 535 CO -0.12 0.36 -0.14 0.58 -2.88 0.00 0.00 179.24 177.04 2xer h VAL 536 N 0.45 1.26 0.00 2.25 2.07 -0.57 -2.45 116.25 119.26 2xer h VAL 536 Ca 0.13 -1.19 -0.09 0.00 0.82 0.00 0.00 66.70 66.36 2xer h VAL 536 Cb 0.02 1.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 2xer h VAL 536 CO -0.02 0.40 -0.43 -0.33 0.02 0.00 0.00 177.57 177.21 2xer h GLU 537 N 0.65 0.00 -0.14 1.57 5.08 -0.39 -2.82 114.58 118.53 2xer h GLU 537 Ca 0.11 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.41 2xer h GLU 537 Cb 0.61 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.86 2xer h GLU 537 CO 0.04 0.43 -0.13 0.22 -1.00 0.00 0.00 179.01 178.57 2xer h ASP 538 N 0.00 0.36 -0.57 1.42 3.58 -0.24 -1.21 116.42 119.76 2xer h ASP 538 Ca -0.00 -0.48 -0.04 0.00 0.42 0.00 0.00 57.03 56.93 2xer h ASP 538 Cb 1.00 -0.10 -0.02 0.00 1.72 0.00 0.00 39.33 41.93 2xer h ASP 538 CO 0.06 0.76 0.20 0.22 -2.88 0.00 0.00 179.24 177.60 2xer h TYR 539 N -0.04 0.89 -0.63 0.28 3.20 -1.43 -1.56 116.97 117.68 2xer h TYR 539 Ca 0.02 -0.08 -0.04 0.00 3.14 0.00 0.00 58.73 61.77 2xer h TYR 539 Cb 0.66 -0.26 -0.03 0.00 1.54 0.00 0.00 36.73 38.64 2xer h TYR 539 CO 0.08 0.74 0.24 1.49 -1.64 0.00 0.00 178.16 179.07 2xer h GLU 540 N 0.79 0.95 0.50 1.82 4.81 -1.53 -1.02 114.58 120.91 2xer h GLU 540 Ca 0.19 -0.18 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 2xer h GLU 540 Cb 0.24 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.48 2xer h GLU 540 CO -0.01 0.81 -0.24 -0.09 -0.73 0.00 0.00 179.01 178.75 2xer h ARG 541 N 0.89 -0.64 0.00 1.92 2.43 -0.99 -1.19 114.38 116.80 2xer h ARG 541 Ca 0.21 0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.39 2xer h ARG 541 Cb 0.23 0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 29.92 2xer h ARG 541 CO -0.01 -0.34 -0.16 0.00 -1.51 0.00 0.00 179.97 177.94 2xer h ARG 542 N -0.91 0.00 0.08 0.20 3.08 -1.28 -2.22 114.38 113.32 2xer h ARG 542 Ca -0.07 0.00 -0.25 0.00 0.07 0.00 0.00 59.98 59.73 2xer h ARG 542 Cb 0.60 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.65 2xer h ARG 542 CO 0.11 0.16 -1.11 -0.92 -1.07 0.00 0.00 179.97 177.14 2xer h TYR 543 N 0.00 0.52 0.00 3.04 5.03 -1.13 -3.32 116.97 121.12 2xer h TYR 543 Ca -0.00 -0.34 -0.10 0.00 2.58 0.00 0.00 58.73 60.87 2xer h TYR 543 Cb 0.37 -0.04 -0.01 0.00 1.55 0.00 0.00 36.73 38.60 2xer h TYR 543 CO 0.00 1.22 -0.47 -0.07 -1.32 0.00 0.00 178.16 177.51 2xer h LEU 544 N 0.13 0.00 -3.79 2.82 4.07 -0.63 -3.06 115.31 114.85 2xer h LEU 544 Ca -0.11 0.00 -0.51 0.00 0.08 0.00 0.00 57.88 57.34 2xer h LEU 544 Cb 1.80 0.00 -0.26 0.00 1.08 0.00 0.00 40.66 43.28 2xer h LEU 544 CO 0.19 0.47 0.66 0.18 -1.08 0.00 0.00 178.44 178.86 2xer n LEU 545 N -3.56 6.78 -2.71 1.67 4.77 -0.95 -4.21 117.00 118.79 2xer n LEU 545 Ca -0.00 -3.65 -0.03 0.00 -0.03 0.00 0.00 56.01 52.30 2xer n LEU 545 Cb 0.57 -0.89 0.10 0.00 -2.33 0.00 0.00 43.42 40.88 2xer n LEU 545 CO 0.39 1.18 0.43 -1.54 -1.33 0.00 0.00 177.39 176.51 2xer n SER 546 N -0.77 -0.65 0.00 -1.43 3.41 -1.15 -4.96 113.62 108.07 2xer n SER 546 Ca 0.53 -2.23 0.09 0.00 -0.26 0.00 0.00 58.87 57.00 2xer n SER 546 Cb 1.11 0.39 0.47 0.00 -0.26 0.00 0.00 64.21 65.92 2xer n SER 546 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2xer n LEU 547 N -1.12 0.00 -4.98 1.04 4.77 -1.26 -4.48 117.00 110.96 2xer n LEU 547 Ca -0.09 0.28 -0.25 0.00 -0.03 0.00 0.00 56.01 55.92 2xer n LEU 547 Cb 0.85 -0.28 0.14 0.00 -2.33 0.00 0.00 43.42 41.81 2xer n LEU 547 CO -0.07 -0.11 0.66 -1.61 -1.33 0.00 0.00 177.39 174.93 2xer s GLU 548 N -2.56 1.23 0.00 3.23 8.01 -1.26 -3.88 118.70 123.47 2xer s GLU 548 Ca 0.18 -1.03 0.00 0.00 0.01 0.00 0.00 54.97 54.13 2xer s GLU 548 Cb 0.13 -2.19 0.00 0.00 -4.31 0.00 0.00 34.13 27.76 2xer s GLU 548 CO 0.28 -1.83 0.00 0.39 0.01 0.00 0.00 175.26 174.11 2xer n GLU 549 N -3.15 0.00 -4.08 1.61 1.02 -1.26 -4.51 120.64 110.27 2xer n GLU 549 Ca 0.16 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 57.02 2xer n GLU 549 Cb 0.60 -1.38 -0.07 0.00 -0.02 0.00 0.00 31.44 30.57 2xer n GLU 549 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2xer n GLU 550 N -1.97 -0.87 -4.21 3.49 1.02 -1.25 -4.90 120.64 111.96 2xer n GLU 550 Ca 0.00 0.07 -0.34 0.00 -0.02 0.00 0.00 57.16 56.86 2xer n GLU 550 Cb 0.00 -2.97 -0.10 0.00 -0.02 0.00 0.00 31.44 28.35 2xer n GLU 550 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 2xer s ARG 551 N -6.86 3.60 0.45 3.49 3.52 -1.26 -5.09 118.95 116.80 2xer s ARG 551 Ca 0.05 -0.40 -0.25 0.00 -0.13 0.00 0.00 55.73 55.01 2xer s ARG 551 Cb -0.03 -3.02 -0.09 0.00 -1.56 0.00 0.00 34.95 30.26 2xer s ARG 551 CO 0.87 0.41 1.38 -2.30 -0.81 0.00 0.00 175.30 174.85 2xer n PRO 552 N 3.06 2.12 -2.23 5.12 -0.02 -1.26 -4.94 135.00 136.86 2xer n PRO 552 Ca -0.18 0.76 -0.42 0.00 -2.02 0.00 0.00 63.50 61.64 2xer n PRO 552 Cb 0.53 -2.55 -0.03 0.00 -0.02 0.00 0.00 33.50 31.43 2xer n PRO 552 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2xer s ALA 553 N -1.20 3.54 -1.03 3.55 0.00 -1.26 -4.96 121.76 120.39 2xer s ALA 553 Ca 0.62 1.06 -0.14 0.00 0.00 0.00 0.00 51.96 53.50 2xer s ALA 553 Cb -0.46 -3.50 0.19 0.00 0.00 0.00 0.00 23.12 19.34 2xer s ALA 553 CO 0.57 -0.56 1.14 -0.51 0.00 0.00 0.00 175.76 176.41 2xer s LEU 554 N 0.77 5.69 0.00 0.00 1.43 -1.26 -4.80 118.68 120.51 2xer s LEU 554 Ca 0.61 -2.81 0.22 0.00 -1.03 0.00 0.00 54.13 51.12 2xer s LEU 554 Cb -0.35 -2.32 -0.10 0.00 0.03 0.00 0.00 46.19 43.44 2xer s LEU 554 CO 0.32 -0.69 1.00 0.23 0.23 0.00 0.00 176.35 177.43 2xer n MET 555 N 4.89 0.40 -0.28 1.70 2.81 -1.26 -4.49 117.12 120.89 2xer n MET 555 Ca 0.26 -0.33 0.15 0.00 -1.81 0.00 0.00 57.70 55.97 2xer n MET 555 Cb 0.45 -1.49 0.41 0.00 -0.71 0.00 0.00 33.22 31.87 2xer n MET 555 CO 0.00 0.00 0.00 -0.44 1.51 0.00 0.00 175.97 177.04 2xer h ASP 556 N 0.80 0.60 0.33 7.83 5.19 -2.03 -1.66 116.42 127.49 2xer h ASP 556 Ca 0.00 0.05 0.00 0.00 -0.62 0.00 0.00 57.03 56.46 2xer h ASP 556 Cb 0.58 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 40.03 2xer h ASP 556 CO 0.00 0.26 -0.97 0.47 -3.12 0.00 0.00 179.24 175.88 2xer n ASP 557 N -4.59 0.65 0.02 6.45 8.00 -1.26 -4.21 116.55 121.61 2xer n ASP 557 Ca 0.20 -0.39 -0.11 0.00 0.71 0.00 0.00 54.79 55.20 2xer n ASP 557 Cb 0.58 0.80 -0.14 0.00 -0.02 0.00 0.00 41.12 42.34 2xer n ASP 557 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 2xer h ARG 558 N 0.00 0.08 -0.97 -1.24 2.47 -1.57 -3.39 114.38 109.75 2xer h ARG 558 Ca 0.00 -0.14 0.17 0.00 -1.26 0.00 0.00 59.98 58.75 2xer h ARG 558 Cb 0.65 0.05 -0.09 0.00 -1.65 0.00 0.00 29.97 28.93 2xer h ARG 558 CO 0.00 0.83 0.61 1.57 0.56 0.00 0.00 179.97 183.54 2xer h LYS 559 N 0.02 0.74 0.00 0.04 2.10 -1.62 -0.47 116.57 117.38 2xer h LYS 559 Ca -0.21 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.40 2xer h LYS 559 Cb 1.95 -0.17 0.00 0.00 -0.90 0.00 0.00 32.23 33.11 2xer h LYS 559 CO 0.12 0.49 0.00 -2.39 -2.00 0.00 0.00 179.45 175.66 2xer n HIS 560 N -4.66 0.00 0.07 0.07 1.44 -1.26 -2.11 115.22 108.78 2xer n HIS 560 Ca 0.21 0.00 -0.21 0.00 -2.01 0.00 0.00 57.72 55.71 2xer n HIS 560 Cb 0.52 -0.35 -0.15 0.00 0.12 0.00 0.00 29.99 30.14 2xer n HIS 560 CO 0.00 0.00 0.00 0.87 -2.81 0.00 0.00 176.34 174.40 2xer h LYS 561 N 0.00 0.35 -0.11 -1.40 1.57 -1.36 -3.05 116.57 112.57 2xer h LYS 561 Ca 0.00 -0.60 0.01 0.00 -1.87 0.00 0.00 60.65 58.19 2xer h LYS 561 Cb 0.16 0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 2xer h LYS 561 CO 0.00 1.25 0.03 0.82 -0.57 0.00 0.00 179.45 180.98 2xer h ILE 562 N 0.10 0.97 -0.64 1.86 1.08 -1.53 -0.84 117.51 118.51 2xer h ILE 562 Ca -0.30 -0.03 0.01 0.00 -0.39 0.00 0.00 64.86 64.15 2xer h ILE 562 Cb 2.08 0.88 -0.03 0.00 -3.07 0.00 0.00 36.82 36.67 2xer h ILE 562 CO 0.18 0.02 0.42 0.00 -0.69 0.00 0.00 178.15 178.07 2xer h SER 564 N 0.86 0.91 -0.36 0.00 0.02 -1.26 0.23 113.55 113.96 2xer h SER 564 Ca 0.23 -0.14 -0.12 0.00 -0.84 0.00 0.00 61.79 60.92 2xer h SER 564 Cb -0.09 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.20 2xer h SER 564 CO -0.05 0.84 -0.24 0.24 -1.14 0.00 0.00 176.83 176.47 2xer h MET 565 N 0.96 0.79 -0.23 3.45 2.07 -0.50 -1.43 114.93 120.05 2xer h MET 565 Ca 0.22 -0.38 -0.00 0.00 -2.07 0.00 0.00 59.70 57.47 2xer h MET 565 Cb 0.23 -0.01 -0.01 0.00 -1.87 0.00 0.00 31.60 29.94 2xer h MET 565 CO -0.01 1.00 0.13 -0.92 1.07 0.00 0.00 176.91 178.18 2xer h TYR 566 N 0.58 0.32 -0.67 -0.22 3.20 -0.90 -1.93 116.97 117.35 2xer h TYR 566 Ca 0.07 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.00 2xer h TYR 566 Cb 0.81 -0.10 -0.06 0.00 1.54 0.00 0.00 36.73 38.91 2xer h TYR 566 CO 0.06 0.28 0.36 -0.44 -1.64 0.00 0.00 178.16 176.78 2xer h ASP 567 N 0.26 0.51 0.69 -2.11 3.32 -0.48 -0.80 116.42 117.81 2xer h ASP 567 Ca 0.08 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.17 2xer h ASP 567 Cb 0.07 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.56 2xer h ASP 567 CO -0.01 0.33 0.00 0.78 -1.72 0.00 0.00 179.24 178.61 2xer h ASN 568 N 0.65 0.00 1.15 6.45 4.21 -0.91 0.92 115.58 128.06 2xer h ASN 568 Ca 0.31 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.82 2xer h ASN 568 Cb 0.22 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.42 2xer h ASN 568 CO -0.20 0.00 -0.84 -0.07 -1.29 0.00 0.00 177.43 175.03 2xer h LEU 569 N 0.00 0.00 0.00 1.61 3.38 -0.40 -3.45 115.31 116.45 2xer h LEU 569 Ca 0.00 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2xer h LEU 569 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 2xer h LEU 569 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 178.44 179.07 2xer n ARG 570 N -2.74 0.00 -1.47 1.13 5.12 -0.66 -3.43 116.66 114.61 2xer n ARG 570 Ca 0.01 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.93 2xer n ARG 570 Cb 0.55 -0.03 0.00 0.00 -1.16 0.00 0.00 32.46 31.82 2xer n ARG 570 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2xer n GLY 571 N 1.91 0.23 3.06 -0.13 0.00 0.31 -4.84 105.19 105.73 2xer n GLY 571 Ca 0.00 -0.25 -0.37 0.00 0.00 0.00 0.00 46.02 45.41 2xer n GLY 571 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2xer n LYS 572 N -1.19 0.00 -1.92 1.61 4.81 -1.26 -4.83 118.16 115.38 2xer n LYS 572 Ca 0.00 0.00 -0.29 0.00 -0.87 0.00 0.00 58.31 57.15 2xer n LYS 572 Cb 0.49 -0.94 0.10 0.00 0.02 0.00 0.00 35.03 34.70 2xer n LYS 572 CO 0.00 0.00 0.00 -0.98 1.17 0.00 0.00 177.40 177.59 2xer s ARG 578 N -0.96 1.80 0.22 1.64 1.70 -1.26 -5.17 118.95 116.93 2xer s ARG 578 Ca 0.53 0.03 -0.14 0.00 -0.47 0.00 0.00 55.73 55.68 2xer s ARG 578 Cb -0.47 -1.95 -0.08 0.00 -0.57 0.00 0.00 34.95 31.89 2xer s ARG 578 CO 0.62 -1.69 0.63 -1.25 -1.08 0.00 0.00 175.30 172.53 2xer s PRO 579 N -5.61 3.99 0.87 3.89 0.04 -1.26 -5.06 135.00 131.86 2xer s PRO 579 Ca 0.63 0.54 -0.11 0.00 0.04 0.00 0.00 61.00 62.11 2xer s PRO 579 Cb -0.10 -2.73 0.12 0.00 0.04 0.00 0.00 34.50 31.83 2xer s PRO 579 CO 0.49 0.34 1.11 0.45 0.04 0.00 0.00 177.00 179.44 2xer s SER 580 N -2.01 3.52 0.00 6.66 0.15 -1.26 -4.88 113.70 115.88 2xer s SER 580 Ca 0.45 1.92 0.16 0.00 0.70 0.00 0.00 55.95 59.18 2xer s SER 580 Cb -0.13 -2.49 0.82 0.00 -1.71 0.00 0.00 66.02 62.51 2xer s SER 580 CO 0.20 -2.67 1.46 0.47 1.20 0.00 0.00 173.24 173.89 2xer n ASP 581 N -3.94 0.00 0.21 5.45 8.00 -1.26 -3.81 116.55 121.19 2xer n ASP 581 Ca 0.10 0.04 -0.16 0.00 0.71 0.00 0.00 54.79 55.47 2xer n ASP 581 Cb 0.53 -0.28 -0.09 0.00 -0.02 0.00 0.00 41.12 41.27 2xer n ASP 581 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 2xer h ASP 582 N 0.00 -1.29 -0.63 -2.24 3.32 -1.99 0.12 116.42 113.71 2xer h ASP 582 Ca 0.00 0.12 0.12 0.00 0.02 0.00 0.00 57.03 57.29 2xer h ASP 582 Cb 0.15 0.45 -0.12 0.00 0.22 0.00 0.00 39.33 40.03 2xer h ASP 582 CO 0.00 -0.57 -0.21 -0.74 -1.72 0.00 0.00 179.24 175.99 2xer h HIS 583 N -0.83 -0.50 -0.18 4.55 2.76 -1.90 -1.30 115.15 117.75 2xer h HIS 583 Ca -0.02 0.06 -0.09 0.00 -2.20 0.00 0.00 60.37 58.12 2xer h HIS 583 Cb 0.77 0.32 -0.00 0.00 1.55 0.00 0.00 27.41 30.05 2xer h HIS 583 CO -0.30 -0.31 -0.24 0.35 -1.30 0.00 0.00 177.93 176.13 2xer h PHE 584 N -0.05 0.58 -0.38 5.26 3.57 -1.52 -3.19 116.94 121.21 2xer h PHE 584 Ca 0.29 -0.19 -0.00 0.00 3.53 0.00 0.00 57.97 61.60 2xer h PHE 584 Cb 0.50 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.11 2xer h PHE 584 CO -0.56 0.88 0.22 0.28 -2.23 0.00 0.00 178.31 176.90 2xer h VAL 585 N 0.12 1.13 -0.54 1.41 2.07 -0.19 -1.22 116.25 119.03 2xer h VAL 585 Ca 0.02 -0.32 0.09 0.00 0.82 0.00 0.00 66.70 67.32 2xer h VAL 585 Cb 0.81 0.65 -0.07 0.00 -1.52 0.00 0.00 31.29 31.16 2xer h VAL 585 CO 0.06 0.13 0.13 1.56 0.02 0.00 0.00 177.57 179.47 2xer h GLN 586 N 0.50 0.27 -1.00 1.57 4.20 -1.34 -0.10 115.11 119.20 2xer h GLN 586 Ca 0.14 -0.02 0.03 0.00 0.06 0.00 0.00 58.65 58.86 2xer h GLN 586 Cb 0.02 -0.06 -0.05 0.00 0.30 0.00 0.00 27.48 27.68 2xer h GLN 586 CO -0.02 0.18 0.66 0.82 -0.67 0.00 0.00 178.83 179.79 2xer h ILE 587 N 0.28 1.21 0.00 2.54 2.04 -1.43 -2.11 117.51 120.04 2xer h ILE 587 Ca 0.28 -0.45 0.00 0.00 1.00 0.00 0.00 64.86 65.69 2xer h ILE 587 Cb 0.38 -0.21 0.00 0.00 -0.74 0.00 0.00 36.82 36.25 2xer h ILE 587 CO -0.34 0.24 0.00 0.23 0.00 0.00 0.00 178.15 178.28 2xer n MET 588 N -4.42 0.96 -0.09 2.37 2.81 -0.11 -2.87 117.12 115.76 2xer n MET 588 Ca 0.13 0.00 -0.09 0.00 -1.81 0.00 0.00 57.70 55.93 2xer n MET 588 Cb 0.06 -1.15 -0.15 0.00 -0.71 0.00 0.00 33.22 31.27 2xer n MET 588 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2xer s ILE 590 N -2.51 4.62 0.19 0.00 1.01 -1.14 -4.83 121.20 118.55 2xer s ILE 590 Ca -0.10 2.01 -0.17 0.00 0.00 0.00 0.00 60.65 62.39 2xer s ILE 590 Cb 0.06 -4.30 0.17 0.00 0.01 0.00 0.00 42.46 38.40 2xer s ILE 590 CO 0.80 0.28 1.62 -0.09 0.00 0.00 0.00 174.94 177.55 2xer h ARG 591 N 5.90 -0.08 -0.38 2.79 2.43 -1.92 0.87 114.38 123.99 2xer h ARG 591 Ca -0.42 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 58.74 2xer h ARG 591 Cb 1.21 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.76 2xer h ARG 591 CO 0.73 -0.05 0.17 -0.22 -1.51 0.00 0.00 179.97 179.09 2xer h LYS 592 N -0.08 0.53 -0.20 0.20 3.64 -1.93 -2.77 116.57 115.96 2xer h LYS 592 Ca 0.25 -0.06 0.05 0.00 -1.27 0.00 0.00 60.65 59.62 2xer h LYS 592 Cb 0.48 -0.11 -0.05 0.00 -0.41 0.00 0.00 32.23 32.14 2xer h LYS 592 CO -0.60 0.42 -0.10 0.78 -2.27 0.00 0.00 179.45 177.68 2xer h GLY 593 N 0.66 0.07 0.86 5.01 0.00 -0.98 0.21 103.07 108.90 2xer h GLY 593 Ca 0.13 0.13 -0.01 0.00 0.00 0.00 0.00 47.33 47.59 2xer h GLY 593 CO -0.02 -0.12 0.04 0.50 0.00 0.00 0.00 176.54 176.94 2xer h LYS 594 N -0.08 0.16 -0.76 4.80 1.57 -1.31 -0.26 116.57 120.69 2xer h LYS 594 Ca 0.11 -0.03 0.04 0.00 -1.87 0.00 0.00 60.65 58.90 2xer h LYS 594 Cb 0.25 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.49 2xer h LYS 594 CO -0.25 0.28 0.50 0.00 -0.57 0.00 0.00 179.45 179.40 2xer h ARG 595 N 0.00 0.89 0.33 3.15 2.47 -1.23 -0.70 114.38 119.29 2xer h ARG 595 Ca 0.03 -0.05 -0.02 0.00 -1.26 0.00 0.00 59.98 58.68 2xer h ARG 595 Cb 0.18 -0.20 0.00 0.00 -1.65 0.00 0.00 29.97 28.30 2xer h ARG 595 CO -0.00 0.59 -0.16 1.98 0.56 0.00 0.00 179.97 182.94 2xer h MET 596 N 0.92 -0.42 -0.91 0.04 4.05 -0.14 -3.07 114.93 115.39 2xer h MET 596 Ca 0.30 0.03 0.13 0.00 -0.28 0.00 0.00 59.70 59.89 2xer h MET 596 Cb 0.07 0.10 -0.07 0.00 -0.80 0.00 0.00 31.60 30.89 2xer h MET 596 CO -0.09 -0.13 0.58 0.28 0.23 0.00 0.00 176.91 177.78 2xer h VAL 597 N -0.71 0.87 -0.03 -5.77 2.07 -0.39 0.19 116.25 112.48 2xer h VAL 597 Ca -0.04 -0.27 0.01 0.00 0.82 0.00 0.00 66.70 67.22 2xer h VAL 597 Cb 0.49 0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 30.28 2xer h VAL 597 CO 0.07 0.14 0.03 0.00 0.02 0.00 0.00 177.57 177.83 2xer h ALA 598 N 1.58 1.63 0.00 1.67 0.00 -1.06 -1.65 119.26 121.44 2xer h ALA 598 Ca 0.45 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 55.28 2xer h ALA 598 Cb 0.64 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 2xer h ALA 598 CO -0.22 -0.04 -1.69 0.54 0.00 0.00 0.00 179.25 177.85 2xer n ARG 599 N -3.94 0.64 0.07 0.00 1.74 0.55 -4.20 116.66 111.53 2xer n ARG 599 Ca -0.02 -0.01 -0.08 0.00 -0.77 0.00 0.00 57.85 56.97 2xer n ARG 599 Cb 0.12 -1.66 -0.09 0.00 -1.02 0.00 0.00 32.46 29.82 2xer n ARG 599 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 2xer h ILE 600 N 0.00 1.65 -0.37 0.55 2.04 -0.43 -3.39 117.51 117.56 2xer h ILE 600 Ca -0.11 -3.19 0.08 0.00 1.00 0.00 0.00 64.86 62.63 2xer h ILE 600 Cb 1.29 2.76 -0.09 0.00 -0.74 0.00 0.00 36.82 40.05 2xer h ILE 600 CO 0.01 0.92 -0.31 -0.07 0.00 0.00 0.00 178.15 178.70 2xer h LEU 601 N 0.02 -1.03 -1.31 1.44 3.38 -1.50 -1.28 115.31 115.04 2xer h LEU 601 Ca -0.03 0.18 0.00 0.00 0.09 0.00 0.00 57.88 58.12 2xer h LEU 601 Cb 1.71 0.48 0.00 0.00 0.09 0.00 0.00 40.66 42.94 2xer h LEU 601 CO 0.13 -0.31 0.00 1.55 0.09 0.00 0.00 178.44 179.90 2xer h PRO 602 N -0.25 0.00 0.00 1.13 0.13 -1.83 -0.46 132.00 130.72 2xer h PRO 602 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 2xer h PRO 602 Cb 0.53 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.66 2xer h PRO 602 CO -0.51 0.00 -0.50 0.74 -0.23 0.00 0.00 178.00 177.50 2xer h PHE 603 N 0.00 0.00 -4.12 1.56 0.04 -1.48 -3.47 116.94 109.47 2xer h PHE 603 Ca 0.00 0.00 -0.48 0.00 2.80 0.00 0.00 57.97 60.29 2xer h PHE 603 Cb 0.13 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.29 2xer h PHE 603 CO 0.00 0.00 0.34 -0.51 -0.60 0.00 0.00 178.31 177.54 2xer s LEU 604 N -5.65 3.65 0.90 1.54 1.43 -0.18 -4.99 118.68 115.37 2xer s LEU 604 Ca 0.04 1.50 -0.12 0.00 -1.03 0.00 0.00 54.13 54.52 2xer s LEU 604 Cb 0.08 -4.43 0.13 0.00 0.03 0.00 0.00 46.19 41.99 2xer s LEU 604 CO 0.73 -0.56 1.09 -0.94 0.23 0.00 0.00 176.35 176.89 2xer s SER 605 N -3.10 3.46 0.24 2.29 1.04 -1.26 -4.76 113.70 111.61 2xer s SER 605 Ca 0.58 1.45 -0.05 0.00 0.48 0.00 0.00 55.95 58.40 2xer s SER 605 Cb -0.10 -2.13 0.34 0.00 0.10 0.00 0.00 66.02 64.23 2xer s SER 605 CO 0.32 -2.64 1.85 0.74 0.98 0.00 0.00 173.24 174.48 2xer h THR 606 N -1.55 1.02 -0.34 2.02 2.02 -1.97 -1.03 112.91 113.08 2xer h THR 606 Ca -0.50 -0.32 -0.03 0.00 0.77 0.00 0.00 66.41 66.32 2xer h THR 606 Cb 1.29 -0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.68 2xer h THR 606 CO 0.55 0.17 0.08 -0.33 0.37 0.00 0.00 175.52 176.37 2xer h GLU 607 N 0.95 0.55 -0.50 6.66 3.07 -1.98 -0.42 114.58 122.90 2xer h GLU 607 Ca 0.38 -0.13 0.01 0.00 -0.50 0.00 0.00 59.36 59.12 2xer h GLU 607 Cb 0.20 -0.07 -0.03 0.00 -0.84 0.00 0.00 28.75 28.01 2xer h GLU 607 CO -0.18 0.60 0.32 1.96 -1.40 0.00 0.00 179.01 180.30 2xer h GLN 608 N 0.39 0.62 -0.30 2.33 4.20 -1.79 -1.63 115.11 118.94 2xer h GLN 608 Ca 0.11 -0.04 -0.12 0.00 0.06 0.00 0.00 58.65 58.66 2xer h GLN 608 Cb 0.30 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.93 2xer h GLN 608 CO 0.00 0.41 -0.31 0.00 -0.67 0.00 0.00 178.83 178.26 2xer h ALA 609 N 1.20 0.91 -0.74 3.87 0.00 -1.11 -2.21 119.26 121.18 2xer h ALA 609 Ca 0.19 -0.40 -0.06 0.00 0.00 0.00 0.00 54.91 54.65 2xer h ALA 609 Cb -0.03 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 2xer h ALA 609 CO -0.07 0.62 0.24 0.00 0.00 0.00 0.00 179.25 180.05 2xer h ALA 610 N 1.13 1.03 -0.53 0.00 0.00 -0.80 -0.08 119.26 119.99 2xer h ALA 610 Ca 0.06 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 2xer h ALA 610 Cb 0.80 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 2xer h ALA 610 CO 0.07 0.66 0.28 0.22 0.00 0.00 0.00 179.25 180.48 2xer h ASP 611 N 1.10 0.67 -0.70 0.00 3.58 -1.06 0.19 116.42 120.20 2xer h ASP 611 Ca 0.24 -0.10 -0.03 0.00 0.42 0.00 0.00 57.03 57.56 2xer h ASP 611 Cb 0.29 -0.17 -0.03 0.00 1.72 0.00 0.00 39.33 41.14 2xer h ASP 611 CO -0.01 0.58 0.32 0.40 -2.88 0.00 0.00 179.24 177.65 2xer h ILE 612 N 0.72 1.24 -0.36 2.25 1.08 -0.97 0.84 117.51 122.30 2xer h ILE 612 Ca 0.19 -0.69 -0.13 0.00 -0.39 0.00 0.00 64.86 63.83 2xer h ILE 612 Cb 0.06 0.39 -0.01 0.00 -3.07 0.00 0.00 36.82 34.20 2xer h ILE 612 CO -0.03 0.28 -0.29 0.25 -0.69 0.00 0.00 178.15 177.68 2xer h LEU 613 N 0.98 0.88 -0.37 1.44 5.85 -0.74 -0.57 115.31 122.79 2xer h LEU 613 Ca 0.24 -0.45 -0.00 0.00 0.84 0.00 0.00 57.88 58.51 2xer h LEU 613 Cb 0.15 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 2xer h LEU 613 CO -0.03 1.14 0.23 0.24 -0.34 0.00 0.00 178.44 179.68 2xer h MET 614 N 0.63 0.49 -0.02 1.25 2.86 -0.42 -1.75 114.93 117.98 2xer h MET 614 Ca 0.07 -0.04 -0.09 0.00 -2.06 0.00 0.00 59.70 57.58 2xer h MET 614 Cb 0.86 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.40 2xer h MET 614 CO 0.08 0.36 -0.39 1.15 1.06 0.00 0.00 176.91 179.16 2xer h THR 615 N 0.48 1.29 0.00 2.22 2.02 -0.74 -1.06 112.91 117.12 2xer h THR 615 Ca 0.13 -1.37 -0.00 0.00 0.77 0.00 0.00 66.41 65.94 2xer h THR 615 Cb -0.01 1.72 0.00 0.00 -1.74 0.00 0.00 68.15 68.12 2xer h THR 615 CO -0.03 0.39 -0.00 0.74 0.37 0.00 0.00 175.52 177.00 2xer h THR 616 N 0.03 1.29 -0.27 3.16 2.02 -0.78 -3.00 112.91 115.35 2xer h THR 616 Ca 0.00 -0.86 -0.09 0.00 0.77 0.00 0.00 66.41 66.23 2xer h THR 616 Cb 0.71 1.88 -0.01 0.00 -1.74 0.00 0.00 68.15 68.98 2xer h THR 616 CO 0.05 0.22 -0.21 0.00 0.37 0.00 0.00 175.52 175.96 2xer h ALA 617 N 0.63 1.15 -0.53 6.16 0.00 -1.18 0.11 119.26 125.60 2xer h ALA 617 Ca -0.00 -0.32 0.02 0.00 0.00 0.00 0.00 54.91 54.61 2xer h ALA 617 Cb 0.37 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 2xer h ALA 617 CO 0.00 0.54 0.35 -0.09 0.00 0.00 0.00 179.25 180.05 2xer h ARG 618 N 0.44 0.64 -0.06 0.00 2.43 -1.20 -2.81 114.38 113.82 2xer h ARG 618 Ca 0.07 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.19 2xer h ARG 618 Cb 0.61 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.01 2xer h ARG 618 CO 0.04 0.42 -0.08 0.09 -1.51 0.00 0.00 179.97 178.94 2xer n ASN 619 N -4.47 2.51 -0.20 -3.80 3.02 -1.01 -4.81 115.26 106.51 2xer n ASN 619 Ca 0.06 -3.23 -0.06 0.00 -0.03 0.00 0.00 54.58 51.31 2xer n ASN 619 Cb 0.10 -0.47 0.03 0.00 -0.61 0.00 0.00 39.78 38.83 2xer n ASN 619 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 2xer h LEU 620 N 0.49 0.67 -0.88 3.41 5.85 -0.51 -1.64 115.31 122.69 2xer h LEU 620 Ca 0.01 -0.03 0.16 0.00 0.84 0.00 0.00 57.88 58.86 2xer h LEU 620 Cb 1.11 -0.17 -0.10 0.00 0.37 0.00 0.00 40.66 41.87 2xer h LEU 620 CO 0.06 0.50 0.46 -0.65 -0.34 0.00 0.00 178.44 178.46 2xer h PRO 621 N 0.78 0.60 -0.00 5.25 0.11 -1.87 -0.14 132.00 136.73 2xer h PRO 621 Ca 0.21 -0.04 -0.18 0.00 0.11 0.00 0.00 66.00 66.11 2xer h PRO 621 Cb -0.07 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 30.89 2xer h PRO 621 CO -0.04 0.40 -0.82 0.35 -0.21 0.00 0.00 178.00 177.68 2xer h PHE 622 N 0.62 0.13 0.00 0.65 3.57 -1.84 -3.19 116.94 116.88 2xer h PHE 622 Ca 0.49 -0.07 -0.11 0.00 3.53 0.00 0.00 57.97 61.81 2xer h PHE 622 Cb 0.74 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.45 2xer h PHE 622 CO -0.08 0.86 -0.53 -0.07 -2.23 0.00 0.00 178.31 176.26 2xer h LEU 623 N 0.05 0.00 -0.60 0.59 3.38 -0.20 -2.87 115.31 115.66 2xer h LEU 623 Ca -0.02 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.80 2xer h LEU 623 Cb 1.43 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.17 2xer h LEU 623 CO 0.11 0.53 -0.44 0.40 0.09 0.00 0.00 178.44 179.13 2xer h ILE 624 N 0.00 1.30 -0.16 1.22 2.04 -1.09 -2.57 117.51 118.26 2xer h ILE 624 Ca -0.01 -1.63 -0.01 0.00 1.00 0.00 0.00 64.86 64.22 2xer h ILE 624 Cb 1.03 1.59 -0.01 0.00 -0.74 0.00 0.00 36.82 38.69 2xer h ILE 624 CO 0.07 0.52 0.07 0.11 0.00 0.00 0.00 178.15 178.91 2xer h LYS 625 N 0.49 0.23 0.00 2.37 1.57 -1.50 -2.31 116.57 117.43 2xer h LYS 625 Ca 0.03 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2xer h LYS 625 Cb 0.96 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.24 2xer h LYS 625 CO 0.09 0.30 0.00 1.63 -0.57 0.00 0.00 179.45 180.90 2xer n LYS 626 N -4.88 0.13 -0.53 3.15 4.76 -1.11 -2.23 118.16 117.45 2xer n LYS 626 Ca -0.05 0.13 0.08 0.00 -2.87 0.00 0.00 58.31 55.61 2xer n LYS 626 Cb 0.11 -1.50 0.30 0.00 -1.84 0.00 0.00 35.03 32.10 2xer n LYS 626 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2xer n ASP 627 N -1.41 4.33 -0.07 4.39 2.03 -0.89 -4.62 116.55 120.31 2xer n ASP 627 Ca 0.07 -2.62 -0.10 0.00 0.52 0.00 0.00 54.79 52.67 2xer n ASP 627 Cb 0.20 -0.52 -0.02 0.00 -0.72 0.00 0.00 41.12 40.05 2xer n ASP 627 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2xer h ALA 628 N 3.02 0.33 0.00 -1.67 0.00 -1.16 -0.49 119.26 119.29 2xer h ALA 628 Ca 0.00 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 2xer h ALA 628 Cb 1.41 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 2xer h ALA 628 CO 0.23 -0.17 -0.22 1.96 0.00 0.00 0.00 179.25 181.05 2xer h GLN 629 N 0.34 0.00 -0.08 0.00 7.50 -1.84 -3.39 115.11 117.64 2xer h GLN 629 Ca 0.09 0.00 -0.02 0.00 0.50 0.00 0.00 58.65 59.22 2xer h GLN 629 Cb -0.00 0.00 -0.00 0.00 0.05 0.00 0.00 27.48 27.53 2xer h GLN 629 CO -0.02 0.88 -0.04 -0.44 -1.50 0.00 0.00 178.83 177.71 2xer h ASP 630 N -1.00 0.17 -6.00 1.46 3.32 -1.85 -3.48 116.42 109.05 2xer h ASP 630 Ca -0.06 -0.42 -0.38 0.00 0.02 0.00 0.00 57.03 56.19 2xer h ASP 630 Cb 0.94 -0.05 0.11 0.00 0.22 0.00 0.00 39.33 40.55 2xer h ASP 630 CO -0.04 0.55 -0.89 -0.62 -1.72 0.00 0.00 179.24 176.52 2xer n GLU 631 N -4.76 -2.35 -0.03 3.56 1.02 -0.19 -4.92 120.64 112.97 2xer n GLU 631 Ca -0.07 0.60 0.05 0.00 -0.02 0.00 0.00 57.16 57.72 2xer n GLU 631 Cb 0.26 -4.80 0.06 0.00 -0.02 0.00 0.00 31.44 26.94 2xer n GLU 631 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 2xer n VAL 632 N -3.96 0.16 -0.30 2.62 0.24 -1.26 -4.63 118.33 111.19 2xer n VAL 632 Ca -0.14 -0.58 0.05 0.00 -2.04 0.00 0.00 64.34 61.64 2xer n VAL 632 Cb 0.62 1.10 0.20 0.00 -1.47 0.00 0.00 33.84 34.30 2xer n VAL 632 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 2xer h LEU 633 N 2.05 0.61 -0.88 1.34 3.38 -1.91 -2.53 115.31 117.36 2xer h LEU 633 Ca 0.00 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2xer h LEU 633 Cb 0.48 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.20 2xer h LEU 633 CO 0.00 0.31 0.21 -2.65 0.09 0.00 0.00 178.44 176.40 2xer n PRO 634 N -4.80 0.09 0.00 1.13 -0.02 -1.26 -0.72 135.00 129.42 2xer n PRO 634 Ca 0.16 0.56 0.15 0.00 -2.02 0.00 0.00 63.50 62.34 2xer n PRO 634 Cb 0.36 -2.01 0.81 0.00 -0.02 0.00 0.00 33.50 32.65 2xer n PRO 634 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2xer n LEU 636 N -0.98 0.64 0.10 0.00 4.77 0.10 -4.46 117.00 117.17 2xer n LEU 636 Ca 0.19 -0.13 -0.12 0.00 -0.03 0.00 0.00 56.01 55.92 2xer n LEU 636 Cb 0.19 -0.08 -0.06 0.00 -2.33 0.00 0.00 43.42 41.14 2xer n LEU 636 CO 0.20 0.10 0.80 0.25 -1.33 0.00 0.00 177.39 177.41 2xer h LEU 637 N 0.00 -0.27 -0.02 2.23 5.85 -1.67 -1.76 115.31 119.67 2xer h LEU 637 Ca 0.00 0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.76 2xer h LEU 637 Cb 0.68 0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.79 2xer h LEU 637 CO 0.00 -0.16 -0.08 -1.28 -0.34 0.00 0.00 178.44 176.58 2xer h SER 638 N -0.23 -0.23 -0.67 1.25 0.87 -1.79 0.32 113.55 113.08 2xer h SER 638 Ca 0.01 0.04 0.05 0.00 -1.23 0.00 0.00 61.79 60.66 2xer h SER 638 Cb 0.22 0.10 -0.05 0.00 -0.44 0.00 0.00 62.40 62.23 2xer h SER 638 CO -0.03 -0.11 0.38 -0.65 -0.53 0.00 0.00 176.83 175.88 2xer h PRO 639 N -0.13 0.69 -0.11 2.24 0.11 -1.78 -2.00 132.00 131.02 2xer h PRO 639 Ca 0.04 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 66.01 2xer h PRO 639 Cb 0.18 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.12 2xer h PRO 639 CO -0.09 0.46 -0.34 0.74 -0.21 0.00 0.00 178.00 178.55 2xer h PHE 640 N 0.71 0.26 -0.11 0.65 0.04 -1.05 -2.70 116.94 114.74 2xer h PHE 640 Ca 0.29 -0.06 0.03 0.00 2.80 0.00 0.00 57.97 61.03 2xer h PHE 640 Cb 0.15 -0.06 -0.03 0.00 2.20 0.00 0.00 35.95 38.20 2xer h PHE 640 CO -0.07 0.55 -0.07 0.77 -0.60 0.00 0.00 178.31 178.88 2xer h SER 641 N 0.20 -0.24 -0.48 2.17 0.02 -0.19 -2.17 113.55 112.87 2xer h SER 641 Ca 0.02 0.05 -0.06 0.00 -0.84 0.00 0.00 61.79 60.97 2xer h SER 641 Cb 0.70 0.13 -0.02 0.00 0.14 0.00 0.00 62.40 63.35 2xer h SER 641 CO 0.05 -0.10 0.09 -0.07 -1.14 0.00 0.00 176.83 175.66 2xer h LEU 642 N -0.08 0.80 -1.27 5.07 3.38 -1.38 -2.69 115.31 119.13 2xer h LEU 642 Ca 0.07 -0.16 0.03 0.00 0.09 0.00 0.00 57.88 57.91 2xer h LEU 642 Cb 0.18 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.68 2xer h LEU 642 CO -0.16 0.81 0.51 0.25 0.09 0.00 0.00 178.44 179.94 2xer h LEU 643 N 0.81 0.82 -1.99 1.67 5.85 -1.11 -2.70 115.31 118.66 2xer h LEU 643 Ca 0.17 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.88 2xer h LEU 643 Cb 0.36 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.20 2xer h LEU 643 CO 0.01 0.56 0.00 -0.07 -0.34 0.00 0.00 178.44 178.60 2xer h LEU 644 N 0.95 0.00 -0.39 2.25 3.38 -1.05 -1.87 115.31 118.58 2xer h LEU 644 Ca 0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.28 2xer h LEU 644 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 2xer h LEU 644 CO -0.09 0.00 -0.03 -1.22 0.09 0.00 0.00 178.44 177.19 2xer n TYR 645 N -2.91 0.00 0.51 1.13 4.01 -1.02 -2.80 117.16 116.09 2xer n TYR 645 Ca -0.01 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.79 2xer n TYR 645 Cb 0.17 -0.05 0.03 0.00 -0.31 0.00 0.00 39.34 39.19 2xer n TYR 645 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 2xer n HIS 646 N -0.59 0.00 -3.84 -0.72 8.25 -0.70 -4.99 115.22 112.62 2xer n HIS 646 Ca 0.20 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.29 2xer n HIS 646 Cb 0.24 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.29 2xer n HIS 646 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2xer s LEU 647 N -1.25 4.35 0.00 2.41 1.43 -1.12 -5.10 118.68 119.40 2xer s LEU 647 Ca 0.13 0.43 -0.09 0.00 -1.03 0.00 0.00 54.13 53.57 2xer s LEU 647 Cb 0.10 -2.09 0.17 0.00 0.03 0.00 0.00 46.19 44.40 2xer s LEU 647 CO 0.20 0.36 1.04 -0.81 0.23 0.00 0.00 176.35 177.37 2xer n PRO 648 N 2.31 -0.71 0.00 1.29 -0.04 -1.26 -4.88 135.00 131.70 2xer n PRO 648 Ca -0.19 -1.99 -0.11 0.00 -0.04 0.00 0.00 63.50 61.17 2xer n PRO 648 Cb 0.54 -0.96 -0.05 0.00 -0.04 0.00 0.00 33.50 32.99 2xer n PRO 648 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2xer h SER 649 N -1.14 -0.00 -0.95 3.54 0.87 -1.97 -2.83 113.55 111.07 2xer h SER 649 Ca -0.34 0.01 0.06 0.00 -1.23 0.00 0.00 61.79 60.30 2xer h SER 649 Cb 1.04 0.02 -0.06 0.00 -0.44 0.00 0.00 62.40 62.95 2xer h SER 649 CO 0.28 0.01 0.60 -0.37 -0.53 0.00 0.00 176.83 176.82 2xer h VAL 650 N 0.05 1.07 -0.41 2.23 -1.51 -1.99 -1.99 116.25 113.70 2xer h VAL 650 Ca 0.04 -0.38 -0.03 0.00 -1.23 0.00 0.00 66.70 65.10 2xer h VAL 650 Cb 0.03 -0.12 -0.02 0.00 -2.13 0.00 0.00 31.29 29.06 2xer h VAL 650 CO -0.06 0.20 0.13 0.28 -1.23 0.00 0.00 177.57 176.89 2xer h SER 651 N 1.10 0.60 -0.71 4.19 0.02 -1.89 -0.65 113.55 116.20 2xer h SER 651 Ca 0.41 -0.21 0.00 0.00 -0.84 0.00 0.00 61.79 61.15 2xer h SER 651 Cb 0.16 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.51 2xer h SER 651 CO -0.17 0.64 0.45 0.40 -1.14 0.00 0.00 176.83 177.01 2xer h ILE 652 N 0.52 1.19 -0.54 3.27 1.08 -1.23 -0.04 117.51 121.76 2xer h ILE 652 Ca 0.13 -0.39 -0.02 0.00 -0.39 0.00 0.00 64.86 64.19 2xer h ILE 652 Cb 0.26 0.18 -0.02 0.00 -3.07 0.00 0.00 36.82 34.17 2xer h ILE 652 CO -0.00 0.19 0.25 0.74 -0.69 0.00 0.00 178.15 178.64 2xer h THR 653 N 0.96 1.20 -0.65 -0.27 2.02 -1.13 -0.74 112.91 114.30 2xer h THR 653 Ca 0.26 -0.59 -0.00 0.00 0.77 0.00 0.00 66.41 66.85 2xer h THR 653 Cb -0.07 0.59 -0.03 0.00 -1.74 0.00 0.00 68.15 66.90 2xer h THR 653 CO -0.05 0.23 0.40 0.28 0.37 0.00 0.00 175.52 176.75 2xer h SER 654 N 0.72 0.77 -0.07 4.18 0.02 -0.70 0.46 113.55 118.94 2xer h SER 654 Ca 0.18 -0.05 -0.00 0.00 -0.84 0.00 0.00 61.79 61.09 2xer h SER 654 Cb 0.13 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 62.48 2xer h SER 654 CO -0.02 0.59 0.04 -0.07 -1.14 0.00 0.00 176.83 176.23 2xer h LEU 655 N 0.88 0.08 -0.42 5.07 3.38 -0.68 0.24 115.31 123.86 2xer h LEU 655 Ca 0.23 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 58.12 2xer h LEU 655 Cb -0.05 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 2xer h LEU 655 CO -0.05 0.08 0.07 -0.07 0.09 0.00 0.00 178.44 178.56 2xer h LEU 656 N 0.06 0.67 -1.47 1.67 3.38 -0.89 0.17 115.31 118.90 2xer h LEU 656 Ca 0.02 -0.26 0.01 0.00 0.09 0.00 0.00 57.88 57.74 2xer h LEU 656 Cb 0.02 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 2xer h LEU 656 CO -0.00 0.76 0.37 -0.09 0.09 0.00 0.00 178.44 179.57 2xer h ARG 657 N 0.55 0.70 -0.07 1.13 2.43 0.08 -0.83 114.38 118.38 2xer h ARG 657 Ca 0.13 -0.04 -0.14 0.00 -0.81 0.00 0.00 59.98 59.11 2xer h ARG 657 Cb 0.38 -0.16 0.01 0.00 -0.42 0.00 0.00 29.97 29.78 2xer h ARG 657 CO 0.01 0.47 -0.52 0.37 -1.51 0.00 0.00 179.97 178.79 2xer h GLN 658 N 0.73 0.47 -0.77 0.20 5.75 -0.08 -1.60 115.11 119.81 2xer h GLN 658 Ca 0.21 -0.42 0.02 0.00 -0.15 0.00 0.00 58.65 58.31 2xer h GLN 658 Cb -0.04 0.10 -0.04 0.00 1.07 0.00 0.00 27.48 28.57 2xer h GLN 658 CO -0.05 1.06 0.50 1.25 -2.65 0.00 0.00 178.83 178.93 2xer h LEU 659 N 0.03 0.84 -0.11 -2.39 5.85 -0.27 -1.71 115.31 117.55 2xer h LEU 659 Ca -0.05 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.66 2xer h LEU 659 Cb 1.18 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 42.01 2xer h LEU 659 CO 0.11 0.60 -0.00 0.23 -0.34 0.00 0.00 178.44 179.03 2xer n MET 660 N -4.58 1.02 -0.79 1.25 2.81 -0.35 -4.89 117.12 111.59 2xer n MET 660 Ca 0.08 -0.11 0.00 0.00 -1.81 0.00 0.00 57.70 55.86 2xer n MET 660 Cb 0.05 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.06 2xer n MET 660 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 2xer n ASN 661 N -0.89 0.00 -4.76 7.83 2.85 -0.64 -2.86 115.26 116.80 2xer n ASN 661 Ca 0.22 0.00 -0.34 0.00 -0.11 0.00 0.00 54.58 54.35 2xer n ASN 661 Cb 0.15 0.00 0.04 0.00 1.24 0.00 0.00 39.78 41.21 2xer n ASN 661 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 2xer s LEU 662 N 0.00 3.53 0.30 1.20 1.43 -0.62 -1.79 118.68 122.73 2xer s LEU 662 Ca 0.00 2.21 0.04 0.00 -1.03 0.00 0.00 54.13 55.35 2xer s LEU 662 Cb 0.00 -4.58 0.47 0.00 0.03 0.00 0.00 46.19 42.11 2xer s LEU 662 CO 0.00 -1.65 1.75 -0.65 0.23 0.00 0.00 176.35 176.04 2xer h PRO 663 N 0.46 0.45 -7.25 1.29 0.11 -1.94 -3.38 132.00 121.74 2xer h PRO 663 Ca -0.49 -0.16 -0.49 0.00 0.11 0.00 0.00 66.00 64.98 2xer h PRO 663 Cb 1.27 -0.03 0.19 0.00 0.11 0.00 0.00 31.00 32.54 2xer h PRO 663 CO 0.54 0.65 0.17 0.20 -0.21 0.00 0.00 178.00 179.35 2xer s GLY 664 N -4.01 1.63 -0.50 -0.55 0.00 -0.74 -4.65 107.32 98.50 2xer s GLY 664 Ca -0.07 0.22 -0.46 0.00 0.00 0.00 0.00 44.72 44.41 2xer s GLY 664 CO 0.78 0.75 1.75 -1.26 0.00 0.00 0.00 173.10 175.11 2xer n SER 665 N -4.35 1.09 -4.67 1.64 2.88 -1.26 -4.74 113.62 104.22 2xer n SER 665 Ca 0.08 1.05 -0.36 0.00 -1.33 0.00 0.00 58.87 58.31 2xer n SER 665 Cb 0.53 -0.89 -0.09 0.00 -0.75 0.00 0.00 64.21 63.01 2xer n SER 665 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 2xer s PRO 674 N 3.81 4.09 0.02 -1.46 0.04 -1.26 -4.69 135.00 135.54 2xer s PRO 674 Ca 1.09 -0.24 -0.02 0.00 0.04 0.00 0.00 61.00 61.87 2xer s PRO 674 Cb -1.50 -3.53 -0.02 0.00 0.04 0.00 0.00 34.50 29.50 2xer s PRO 674 CO 0.78 0.07 0.01 -1.58 0.04 0.00 0.00 177.00 176.32 2xer s HIS 675 N 1.02 0.24 0.00 0.56 2.46 -1.13 -5.00 115.29 113.43 2xer s HIS 675 Ca 0.08 -0.50 0.00 0.00 0.47 0.00 0.00 55.06 55.12 2xer s HIS 675 Cb -0.13 -0.18 0.00 0.00 -0.13 0.00 0.00 32.58 32.14 2xer s HIS 675 CO 0.04 -0.23 0.49 1.47 -2.47 0.00 0.00 174.74 174.04 2xer n LEU 676 N 1.40 0.53 -0.29 8.88 -0.00 -1.26 -4.56 117.00 121.70 2xer n LEU 676 Ca -0.23 -0.53 0.09 0.00 -0.00 0.00 0.00 56.01 55.34 2xer n LEU 676 Cb 0.56 0.00 0.21 0.00 -0.00 0.00 0.00 43.42 44.18 2xer n LEU 676 CO 0.21 0.13 0.82 0.74 -0.00 0.00 0.00 177.39 179.29 2xer h THR 677 N 1.59 0.23 -0.14 1.47 2.02 -1.98 1.51 112.91 117.62 2xer h THR 677 Ca 0.00 -0.03 0.02 0.00 0.77 0.00 0.00 66.41 67.17 2xer h THR 677 Cb 0.67 0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 67.22 2xer h THR 677 CO 0.00 0.02 0.09 0.00 0.37 0.00 0.00 175.52 176.00 2xer h ALA 678 N 1.81 2.01 -0.10 6.16 0.00 -1.96 -2.80 119.26 124.38 2xer h ALA 678 Ca 0.48 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 55.28 2xer h ALA 678 Cb 0.90 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.67 2xer h ALA 678 CO -0.75 -0.03 -0.36 0.28 0.00 0.00 0.00 179.25 178.39 2xer h VAL 679 N 0.10 1.39 0.00 0.00 2.07 0.18 -3.23 116.25 116.76 2xer h VAL 679 Ca 0.06 -1.71 -0.07 0.00 0.82 0.00 0.00 66.70 65.81 2xer h VAL 679 Cb 0.11 2.21 -0.01 0.00 -1.52 0.00 0.00 31.29 32.09 2xer h VAL 679 CO -0.01 0.50 -0.31 -0.07 0.02 0.00 0.00 177.57 177.70 2xer h LEU 680 N -0.03 0.00 -2.54 2.57 3.38 -1.32 -1.56 115.31 115.81 2xer h LEU 680 Ca -0.02 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.82 2xer h LEU 680 Cb 0.99 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.66 2xer h LEU 680 CO 0.08 0.31 0.17 0.00 0.09 0.00 0.00 178.44 179.09 2xer n GLN 681 N -3.59 1.86 -3.78 1.13 6.02 -1.07 -1.08 117.38 116.87 2xer n GLN 681 Ca -0.01 -1.22 -0.13 0.00 -0.01 0.00 0.00 57.00 55.63 2xer n GLN 681 Cb 0.45 -1.59 -0.14 0.00 1.02 0.00 0.00 30.24 29.98 2xer n GLN 681 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 2xer s ASN 682 N -0.05 -0.08 0.12 1.08 3.84 -0.98 -4.71 114.94 114.16 2xer s ASN 682 Ca 0.22 0.23 -0.26 0.00 0.21 0.00 0.00 52.86 53.27 2xer s ASN 682 Cb 0.18 0.15 -0.05 0.00 -0.55 0.00 0.00 41.25 40.98 2xer s ASN 682 CO 0.05 -0.11 1.64 0.11 -2.79 0.00 0.00 177.10 176.00 2xer h LYS 683 N 6.84 -0.37 -0.04 0.43 1.57 -1.85 0.49 116.57 123.64 2xer h LYS 683 Ca -0.37 0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.42 2xer h LYS 683 Cb 1.16 0.08 -0.00 0.00 0.08 0.00 0.00 32.23 33.55 2xer h LYS 683 CO 0.44 -0.25 -0.02 0.35 -0.57 0.00 0.00 179.45 179.40 2xer h PHE 684 N -0.39 0.10 -0.38 -1.35 3.57 -1.90 0.20 116.94 116.80 2xer h PHE 684 Ca 0.06 -0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.61 2xer h PHE 684 Cb 0.46 -0.02 -0.07 0.00 2.79 0.00 0.00 35.95 39.11 2xer h PHE 684 CO -0.28 0.47 -0.06 0.78 -2.23 0.00 0.00 178.31 176.98 2xer h GLY 685 N -0.29 0.31 0.95 2.40 0.00 -1.71 0.53 103.07 105.26 2xer h GLY 685 Ca 0.01 0.10 -0.07 0.00 0.00 0.00 0.00 47.33 47.37 2xer h GLY 685 CO 0.01 -0.13 -0.02 -2.00 0.00 0.00 0.00 176.54 174.40 2xer h LEU 686 N 0.03 0.70 -1.06 3.11 5.85 0.11 -1.56 115.31 122.49 2xer h LEU 686 Ca 0.18 -0.32 -0.08 0.00 0.84 0.00 0.00 57.88 58.50 2xer h LEU 686 Cb 0.27 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 2xer h LEU 686 CO -0.36 0.85 -0.19 0.28 -0.34 0.00 0.00 178.44 178.68 2xer h SER 687 N 0.53 0.44 -0.20 1.25 0.02 -0.42 -2.10 113.55 113.07 2xer h SER 687 Ca 0.11 -0.13 -0.05 0.00 -0.84 0.00 0.00 61.79 60.89 2xer h SER 687 Cb 0.50 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.92 2xer h SER 687 CO 0.02 0.64 -0.05 0.25 -1.14 0.00 0.00 176.83 176.55 2xer h LEU 688 N 0.40 0.39 -0.73 5.07 5.85 0.19 -2.23 115.31 124.25 2xer h LEU 688 Ca 0.07 -0.37 0.12 0.00 0.84 0.00 0.00 57.88 58.53 2xer h LEU 688 Cb 0.56 -0.11 -0.08 0.00 0.37 0.00 0.00 40.66 41.40 2xer h LEU 688 CO 0.04 0.67 0.32 0.25 -0.34 0.00 0.00 178.44 179.38 2xer h LEU 689 N 0.10 0.36 -0.55 2.25 5.85 -1.02 -1.17 115.31 121.13 2xer h LEU 689 Ca 0.05 0.09 -0.13 0.00 0.84 0.00 0.00 57.88 58.73 2xer h LEU 689 Cb 0.50 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.56 2xer h LEU 689 CO 0.02 0.18 -0.21 -0.07 -0.34 0.00 0.00 178.44 178.02 2xer h LEU 690 N 0.52 0.97 -0.91 2.25 3.38 -1.26 -0.91 115.31 119.34 2xer h LEU 690 Ca 0.38 -0.36 -0.11 0.00 0.09 0.00 0.00 57.88 57.88 2xer h LEU 690 Cb 0.50 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 2xer h LEU 690 CO -0.34 1.14 -0.39 0.40 0.09 0.00 0.00 178.44 179.34 2xer h ILE 691 N 0.82 1.30 0.15 1.22 1.08 -0.85 -0.17 117.51 121.06 2xer h ILE 691 Ca 0.11 -1.49 -0.01 0.00 -0.39 0.00 0.00 64.86 63.08 2xer h ILE 691 Cb 0.77 1.63 0.00 0.00 -3.07 0.00 0.00 36.82 36.15 2xer h ILE 691 CO 0.06 0.45 -0.07 -0.07 -0.69 0.00 0.00 178.15 177.83 2xer h LEU 692 N 0.26 -0.17 -1.47 1.44 3.38 -1.03 -1.09 115.31 116.63 2xer h LEU 692 Ca 0.03 -0.36 0.12 0.00 0.09 0.00 0.00 57.88 57.75 2xer h LEU 692 Cb 0.81 0.04 -0.05 0.00 0.09 0.00 0.00 40.66 41.55 2xer h LEU 692 CO 0.06 0.33 0.49 -0.07 0.09 0.00 0.00 178.44 179.35 2xer h LEU 693 N -0.74 0.52 0.26 1.67 3.38 -1.16 -0.25 115.31 119.00 2xer h LEU 693 Ca -0.02 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2xer h LEU 693 Cb 0.52 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.19 2xer h LEU 693 CO 0.03 0.30 -0.12 -1.28 0.09 0.00 0.00 178.44 177.46 2xer h SER 694 N 0.57 -0.29 -0.92 -0.43 0.87 -0.95 -2.28 113.55 110.11 2xer h SER 694 Ca 0.36 -0.20 0.06 0.00 -1.23 0.00 0.00 61.79 60.77 2xer h SER 694 Cb 0.60 0.08 -0.06 0.00 -0.44 0.00 0.00 62.40 62.58 2xer h SER 694 CO -0.13 0.07 0.60 -0.09 -0.53 0.00 0.00 176.83 176.75 2xer h ARG 695 N -0.70 1.03 0.00 2.24 9.65 -0.83 0.30 114.38 126.08 2xer h ARG 695 Ca -0.04 -0.06 -0.01 0.00 -1.10 0.00 0.00 59.98 58.78 2xer h ARG 695 Cb 0.48 -0.23 -0.00 0.00 -1.39 0.00 0.00 29.97 28.83 2xer h ARG 695 CO 0.06 0.68 -0.03 0.78 2.80 0.00 0.00 179.97 184.27 2xer h GLY 696 N 1.07 0.00 0.86 2.80 0.00 -0.97 -1.88 103.07 104.94 2xer h GLY 696 Ca 0.39 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.62 2xer h GLY 696 CO -0.14 0.00 -0.26 -2.09 0.00 0.00 0.00 176.54 174.05 2xer h GLU 697 N 0.00 0.53 -0.86 4.80 4.57 -0.35 -0.95 114.58 122.32 2xer h GLU 697 Ca -0.00 -0.30 0.14 0.00 -1.18 0.00 0.00 59.36 58.02 2xer h GLU 697 Cb 0.05 0.02 -0.09 0.00 -0.16 0.00 0.00 28.75 28.57 2xer h GLU 697 CO 0.00 0.89 0.46 -0.44 -1.18 0.00 0.00 179.01 178.75 2xer h ASP 698 N 0.20 0.60 0.79 1.04 3.32 -0.80 -1.48 116.42 120.07 2xer h ASP 698 Ca 0.02 0.08 -0.16 0.00 0.02 0.00 0.00 57.03 56.99 2xer h ASP 698 Cb 0.82 -0.02 -0.03 0.00 0.22 0.00 0.00 39.33 40.32 2xer h ASP 698 CO 0.06 0.28 -1.31 -0.07 -1.72 0.00 0.00 179.24 176.47 2xer h LEU 699 N 0.69 0.00 -0.02 1.55 3.38 -1.45 -3.22 115.31 116.24 2xer h LEU 699 Ca 0.46 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.43 2xer h LEU 699 Cb 0.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.34 2xer h LEU 699 CO -0.33 0.57 -0.26 0.00 0.09 0.00 0.00 178.44 178.51 2xer n GLN 700 N -2.93 0.05 -0.02 1.13 1.13 -0.37 -3.46 117.38 112.92 2xer n GLN 700 Ca -0.08 -0.02 -0.04 0.00 -1.94 0.00 0.00 57.00 54.92 2xer n GLN 700 Cb 0.83 -1.50 -0.12 0.00 0.11 0.00 0.00 30.24 29.56 2xer n GLN 700 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 2xer n SER 701 N -1.46 0.60 0.00 1.08 7.64 -0.58 -4.07 113.62 116.83 2xer n SER 701 Ca 0.07 0.27 0.00 0.00 1.01 0.00 0.00 58.87 60.22 2xer n SER 701 Cb 0.33 0.43 0.02 0.00 -1.01 0.00 0.00 64.21 63.98 2xer n SER 701 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2xer n SER 702 N -2.86 0.00 -3.77 6.43 7.64 -1.21 -5.12 113.62 114.74 2xer n SER 702 Ca -0.17 -1.50 -0.30 0.00 1.01 0.00 0.00 58.87 57.91 2xer n SER 702 Cb 0.96 0.00 0.28 0.00 -1.01 0.00 0.00 64.21 64.44 2xer n SER 702 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2xer s ASP 703 N -1.26 -0.48 0.00 6.43 1.01 -1.26 -5.11 116.67 116.00 2xer s ASP 703 Ca 0.01 1.05 0.00 0.00 0.71 0.00 0.00 52.55 54.32 2xer s ASP 703 Cb 0.00 -1.55 0.00 0.00 1.01 0.00 0.00 42.92 42.39 2xer s ASP 703 CO 0.01 -5.04 0.00 0.35 0.21 0.00 0.00 175.17 170.70 2xer n THR 709 N -5.43 0.00 -0.22 -1.27 -2.24 -1.26 -5.19 114.28 98.66 2xer n THR 709 Ca 0.09 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.90 2xer n THR 709 Cb 0.58 -0.61 0.14 0.00 -2.10 0.00 0.00 70.33 68.35 2xer n THR 709 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 2xer h GLN 710 N 0.00 0.27 -0.47 -0.78 1.08 -2.02 0.69 115.11 113.88 2xer h GLN 710 Ca 0.00 -0.02 0.06 0.00 -1.45 0.00 0.00 58.65 57.24 2xer h GLN 710 Cb 0.00 -0.06 -0.05 0.00 -0.05 0.00 0.00 27.48 27.32 2xer h GLN 710 CO 0.00 0.18 0.17 -0.91 -0.95 0.00 0.00 178.83 177.32 2xer h ASN 711 N 0.28 0.19 -0.20 1.46 2.35 -2.04 0.47 115.58 118.08 2xer h ASN 711 Ca 0.36 0.05 -0.04 0.00 -0.55 0.00 0.00 56.30 56.13 2xer h ASN 711 Cb 0.57 0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.97 2xer h ASN 711 CO -0.45 0.14 -0.03 0.78 -1.65 0.00 0.00 177.43 176.22 2xer h ASN 712 N 0.35 0.36 -0.09 5.81 2.35 -1.75 -1.08 115.58 121.53 2xer h ASN 712 Ca 0.22 -0.35 0.02 0.00 -0.55 0.00 0.00 56.30 55.64 2xer h ASN 712 Cb 0.21 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.46 2xer h ASN 712 CO -0.22 0.62 -0.04 1.56 -1.65 0.00 0.00 177.43 177.71 2xer h GLN 713 N 0.10 -0.02 -0.13 0.81 4.20 -0.55 -1.76 115.11 117.75 2xer h GLN 713 Ca 0.05 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.73 2xer h GLN 713 Cb 0.45 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.24 2xer h GLN 713 CO 0.02 -0.02 -0.06 2.35 -0.67 0.00 0.00 178.83 180.45 2xer h TRP 714 N -0.02 0.31 -0.10 2.96 2.91 -0.06 -1.93 115.95 120.02 2xer h TRP 714 Ca 0.05 -0.08 -0.07 0.00 1.13 0.00 0.00 58.89 59.93 2xer h TRP 714 Cb 0.10 -0.07 -0.01 0.00 -0.51 0.00 0.00 29.16 28.66 2xer h TRP 714 CO -0.15 0.60 -0.24 1.79 -1.03 0.00 0.00 178.44 179.40 2xer h THR 715 N -0.07 1.22 -0.31 2.65 1.35 -1.20 0.82 112.91 117.38 2xer h THR 715 Ca 0.03 -1.03 -0.06 0.00 -0.55 0.00 0.00 66.41 64.80 2xer h THR 715 Cb 0.52 1.42 -0.01 0.00 -1.73 0.00 0.00 68.15 68.35 2xer h THR 715 CO 0.02 0.31 -0.05 -0.08 -0.25 0.00 0.00 175.52 175.47 2xer h GLU 716 N 0.16 0.58 0.00 4.72 4.81 -1.24 0.17 114.58 123.78 2xer h GLU 716 Ca 0.03 -0.21 -0.04 0.00 -0.13 0.00 0.00 59.36 59.01 2xer h GLU 716 Cb 0.52 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.86 2xer h GLU 716 CO 0.04 0.75 -0.18 0.28 -0.73 0.00 0.00 179.01 179.17 2xer h VAL 717 N 0.36 0.55 0.07 0.32 2.07 -0.78 0.62 116.25 119.46 2xer h VAL 717 Ca 0.08 -0.85 -0.29 0.00 0.82 0.00 0.00 66.70 66.46 2xer h VAL 717 Cb 0.52 1.57 -0.02 0.00 -1.52 0.00 0.00 31.29 31.84 2xer h VAL 717 CO 0.03 0.17 -1.53 0.24 0.02 0.00 0.00 177.57 176.50 2xer h MET 718 N 0.00 0.15 0.00 1.57 2.86 -0.62 -1.92 114.93 116.97 2xer h MET 718 Ca -0.00 -0.26 -0.10 0.00 -2.06 0.00 0.00 59.70 57.28 2xer h MET 718 Cb 0.56 0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.30 2xer h MET 718 CO 0.02 0.95 -0.50 0.74 1.06 0.00 0.00 176.91 179.19 2xer h PHE 719 N 0.04 0.00 0.08 -0.22 0.04 -0.39 -1.72 116.94 114.77 2xer h PHE 719 Ca -0.23 0.00 -0.27 0.00 2.80 0.00 0.00 57.97 60.27 2xer h PHE 719 Cb 1.98 0.00 0.01 0.00 2.20 0.00 0.00 35.95 40.14 2xer h PHE 719 CO 0.04 0.50 -1.13 1.98 -0.60 0.00 0.00 178.31 179.09 2xer h MET 720 N 0.00 0.48 0.53 1.51 4.05 -0.96 -2.62 114.93 117.92 2xer h MET 720 Ca -0.00 -0.62 -0.03 0.00 -0.28 0.00 0.00 59.70 58.77 2xer h MET 720 Cb 1.20 0.20 0.01 0.00 -0.80 0.00 0.00 31.60 32.21 2xer h MET 720 CO 0.06 1.25 -0.25 0.00 0.23 0.00 0.00 176.91 178.20 2xer h ALA 721 N 0.51 -0.71 -0.56 0.39 0.00 -1.26 -1.19 119.26 116.45 2xer h ALA 721 Ca -0.14 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.58 2xer h ALA 721 Cb 1.80 0.27 -0.03 0.00 0.00 0.00 0.00 17.79 19.84 2xer h ALA 721 CO 0.20 -0.78 0.36 1.79 0.00 0.00 0.00 179.25 180.82 2xer h THR 722 N -0.95 1.15 0.43 0.00 1.35 -1.46 0.04 112.91 113.48 2xer h THR 722 Ca -0.07 -0.30 -0.01 0.00 -0.55 0.00 0.00 66.41 65.48 2xer h THR 722 Cb 0.62 0.35 -0.02 0.00 -1.73 0.00 0.00 68.15 67.37 2xer h THR 722 CO 0.12 0.15 -0.36 -0.09 -0.25 0.00 0.00 175.52 175.09 2xer h ARG 723 N 0.75 -0.77 -0.00 4.72 2.43 -1.48 -0.73 114.38 119.31 2xer h ARG 723 Ca 0.20 0.05 -0.07 0.00 -0.81 0.00 0.00 59.98 59.36 2xer h ARG 723 Cb -0.07 0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.65 2xer h ARG 723 CO -0.04 -0.51 -0.31 1.49 -1.51 0.00 0.00 179.97 179.09 2xer h GLU 724 N -0.79 0.01 -0.27 0.20 4.57 -1.13 -1.17 114.58 115.99 2xer h GLU 724 Ca -0.04 -0.00 -0.10 0.00 -1.18 0.00 0.00 59.36 58.04 2xer h GLU 724 Cb 0.69 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.27 2xer h GLU 724 CO -0.02 0.32 -0.27 -0.07 -1.18 0.00 0.00 179.01 177.79 2xer h LEU 725 N 0.00 0.53 -0.29 1.64 3.38 -0.68 -2.35 115.31 117.55 2xer h LEU 725 Ca -0.00 -0.19 -0.17 0.00 0.09 0.00 0.00 57.88 57.61 2xer h LEU 725 Cb 0.55 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 2xer h LEU 725 CO 0.04 0.79 -0.82 -0.07 0.09 0.00 0.00 178.44 178.47 2xer h LEU 726 N 0.46 0.00 -0.24 1.67 4.07 -0.52 -3.33 115.31 117.42 2xer h LEU 726 Ca 0.06 0.00 -0.14 0.00 0.08 0.00 0.00 57.88 57.88 2xer h LEU 726 Cb 0.71 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.45 2xer h LEU 726 CO 0.05 0.82 -0.40 -0.09 -1.08 0.00 0.00 178.44 177.75 2xer h ARG 727 N 0.00 0.70 -6.71 1.13 2.43 -0.98 -3.45 114.38 107.51 2xer h ARG 727 Ca -0.01 -0.43 -0.53 0.00 -0.81 0.00 0.00 59.98 58.21 2xer h ARG 727 Cb 1.49 0.04 0.06 0.00 -0.42 0.00 0.00 29.97 31.14 2xer h ARG 727 CO 0.11 1.05 0.83 -1.50 -1.51 0.00 0.00 179.97 178.95 2xer s ILE 728 N -4.15 2.51 0.41 1.20 1.10 -0.91 -4.97 121.20 116.39 2xer s ILE 728 Ca -0.12 0.40 -0.26 0.00 -0.51 0.00 0.00 60.65 60.16 2xer s ILE 728 Cb 0.08 -3.26 -0.08 0.00 0.15 0.00 0.00 42.46 39.35 2xer s ILE 728 CO 0.84 0.05 1.28 -2.84 -2.11 0.00 0.00 174.94 172.17 2xer s PRO 729 N 0.18 3.95 0.46 3.50 0.02 -1.26 -4.91 135.00 136.94 2xer s PRO 729 Ca 0.64 2.10 0.22 0.00 0.02 0.00 0.00 61.00 63.98 2xer s PRO 729 Cb -0.44 -2.72 1.21 0.00 0.02 0.00 0.00 34.50 32.57 2xer s PRO 729 CO 0.40 -0.49 1.87 0.37 -0.33 0.00 0.00 177.00 178.82 2xer h GLN 730 N 2.62 0.26 -0.25 5.54 5.75 -1.96 -2.10 115.11 124.97 2xer h GLN 730 Ca -0.49 -0.02 -0.18 0.00 -0.15 0.00 0.00 58.65 57.81 2xer h GLN 730 Cb 1.25 -0.06 0.00 0.00 1.07 0.00 0.00 27.48 29.74 2xer h GLN 730 CO 0.62 0.17 -0.54 0.00 -2.65 0.00 0.00 178.83 176.44 2xer h ALA 731 N 1.61 0.40 0.00 3.38 0.00 -1.99 -3.21 119.26 119.44 2xer h ALA 731 Ca 0.44 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2xer h ALA 731 Cb 1.30 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2xer h ALA 731 CO -0.12 0.61 0.00 0.00 0.00 0.00 0.00 179.25 179.74 2xer h ALA 732 N 0.64 1.00 -2.54 0.00 0.00 -1.76 -3.44 119.26 113.16 2xer h ALA 732 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.39 2xer h ALA 732 Cb 1.15 0.00 0.03 0.00 0.00 0.00 0.00 17.79 18.97 2xer h ALA 732 CO 0.12 0.00 0.86 -0.51 0.00 0.00 0.00 179.25 179.72 2xer s LEU 733 N -5.87 4.37 1.09 0.00 1.43 -1.19 -4.08 118.68 114.44 2xer s LEU 733 Ca 0.03 2.48 -0.15 0.00 -1.03 0.00 0.00 54.13 55.46 2xer s LEU 733 Cb 0.08 -3.58 0.24 0.00 0.03 0.00 0.00 46.19 42.96 2xer s LEU 733 CO 0.55 -0.79 1.10 0.00 0.23 0.00 0.00 176.35 177.44 2xer s ALA 734 N 1.53 0.73 -0.46 4.21 0.00 -0.24 -4.98 121.76 122.55 2xer s ALA 734 Ca 0.69 -0.61 -0.18 0.00 0.00 0.00 0.00 51.96 51.86 2xer s ALA 734 Cb -0.40 -3.02 0.04 0.00 0.00 0.00 0.00 23.12 19.74 2xer s ALA 734 CO 0.31 -3.21 0.52 0.21 0.00 0.00 0.00 175.76 173.60 2xer s LYS 735 N -5.13 3.12 0.40 0.00 2.20 -1.26 -4.94 119.74 114.12 2xer s LYS 735 Ca 0.68 -0.82 -0.27 0.00 -0.36 0.00 0.00 55.97 55.20 2xer s LYS 735 Cb -0.15 -4.03 -0.10 0.00 -1.51 0.00 0.00 37.83 32.04 2xer s LYS 735 CO 0.57 -1.02 1.48 -2.30 -0.36 0.00 0.00 175.35 173.72 2xer n PRO 736 N 5.84 2.57 0.24 4.03 -0.02 -1.26 -4.73 135.00 141.67 2xer n PRO 736 Ca -0.07 0.90 -0.11 0.00 -2.02 0.00 0.00 63.50 62.21 2xer n PRO 736 Cb 0.46 -2.67 -0.05 0.00 -0.02 0.00 0.00 33.50 31.22 2xer n PRO 736 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 2xer h ILE 737 N 2.75 0.02 -3.38 4.25 5.03 -1.93 -3.44 117.51 120.82 2xer h ILE 737 Ca -0.51 -0.51 -0.57 0.00 -0.12 0.00 0.00 64.86 63.15 2xer h ILE 737 Cb 1.25 0.03 -0.38 0.00 -3.03 0.00 0.00 36.82 34.69 2xer h ILE 737 CO 0.63 0.00 -0.79 -0.94 -0.68 0.00 0.00 178.15 176.37 2xer s SER 738 N -4.79 3.07 -0.52 1.72 1.04 -1.26 -5.10 113.70 107.87 2xer s SER 738 Ca -0.10 -0.78 -0.19 0.00 0.48 0.00 0.00 55.95 55.36 2xer s SER 738 Cb 0.01 -1.00 0.06 0.00 0.10 0.00 0.00 66.02 65.19 2xer s SER 738 CO 0.30 -0.18 0.66 -0.51 0.98 0.00 0.00 173.24 174.49 2xer s ILE 739 N 1.56 4.82 0.43 -1.02 1.10 -1.26 -4.83 121.20 122.01 2xer s ILE 739 Ca -0.00 -0.50 -0.25 0.00 -0.51 0.00 0.00 60.65 59.38 2xer s ILE 739 Cb -0.16 -4.35 -0.09 0.00 0.15 0.00 0.00 42.46 38.01 2xer s ILE 739 CO -0.08 -0.88 1.33 -2.65 -2.11 0.00 0.00 174.94 170.56 2xer n PRO 740 N 6.31 2.06 0.05 3.50 -0.02 -1.26 -4.83 135.00 140.81 2xer n PRO 740 Ca -0.06 0.73 -0.07 0.00 -2.02 0.00 0.00 63.50 62.08 2xer n PRO 740 Cb 0.45 -2.48 0.10 0.00 -0.02 0.00 0.00 33.50 31.55 2xer n PRO 740 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 2xer h THR 741 N 2.17 1.35 0.00 3.45 1.35 -1.96 -3.22 112.91 116.05 2xer h THR 741 Ca -0.49 -1.87 0.00 0.00 -0.55 0.00 0.00 66.41 63.50 2xer h THR 741 Cb 1.28 1.89 0.00 0.00 -1.73 0.00 0.00 68.15 69.59 2xer h THR 741 CO 0.60 0.56 0.00 -0.46 -0.25 0.00 0.00 175.52 175.98 2xer n ASN 742 N -3.92 0.00 0.24 5.36 6.94 -1.26 -3.75 115.26 118.87 2xer n ASN 742 Ca -0.03 -1.47 0.11 0.00 -0.02 0.00 0.00 54.58 53.18 2xer n ASN 742 Cb 0.60 0.00 0.57 0.00 -2.36 0.00 0.00 39.78 38.59 2xer n ASN 742 CO 0.00 0.00 0.00 -0.07 -1.03 0.00 0.00 177.26 176.16 2xer h LEU 743 N 0.00 0.00 -0.16 -4.53 3.38 -1.95 -2.27 115.31 109.78 2xer h LEU 743 Ca 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 2xer h LEU 743 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2xer h LEU 743 CO 0.00 0.18 -0.03 0.58 0.09 0.00 0.00 178.44 179.26 2xer h VAL 744 N 0.00 1.28 -0.70 1.22 2.07 -1.85 -2.74 116.25 115.53 2xer h VAL 744 Ca -0.00 -0.97 -0.01 0.00 0.82 0.00 0.00 66.70 66.54 2xer h VAL 744 Cb 0.60 1.59 -0.03 0.00 -1.52 0.00 0.00 31.29 31.93 2xer h VAL 744 CO 0.02 0.29 0.41 -1.28 0.02 0.00 0.00 177.57 177.03 2xer h SER 745 N 0.02 0.86 0.45 0.57 0.87 -1.76 -2.00 113.55 112.56 2xer h SER 745 Ca 0.04 -0.08 -0.01 0.00 -1.23 0.00 0.00 61.79 60.52 2xer h SER 745 Cb 0.45 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 62.18 2xer h SER 745 CO 0.01 0.69 -0.38 0.25 -0.53 0.00 0.00 176.83 176.87 2xer h LEU 746 N 0.96 -1.02 -1.53 2.23 5.85 -1.39 -2.12 115.31 118.29 2xer h LEU 746 Ca 0.25 0.08 0.00 0.00 0.84 0.00 0.00 57.88 59.05 2xer h LEU 746 Cb -0.00 0.33 0.00 0.00 0.37 0.00 0.00 40.66 41.36 2xer h LEU 746 CO -0.04 -0.55 0.00 -0.26 -0.34 0.00 0.00 178.44 177.25 2xer h PHE 747 N -0.83 0.00 0.00 1.25 0.04 -1.44 -1.52 116.94 114.44 2xer h PHE 747 Ca -0.04 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.73 2xer h PHE 747 Cb 0.72 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.87 2xer h PHE 747 CO -0.18 0.00 0.00 0.77 -0.60 0.00 0.00 178.31 178.30 2xer h SER 748 N 0.00 0.00 0.53 2.17 0.02 -0.64 -2.16 113.55 113.46 2xer h SER 748 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2xer h SER 748 Cb 0.28 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.82 2xer h SER 748 CO 0.00 0.00 -0.83 0.54 -1.14 0.00 0.00 176.83 175.40 2xer n ARG 749 N -2.51 0.22 -0.05 3.45 1.74 -0.57 -4.34 116.66 114.60 2xer n ARG 749 Ca -0.00 0.02 0.01 0.00 -0.77 0.00 0.00 57.85 57.10 2xer n ARG 749 Cb 0.15 -1.59 0.01 0.00 -1.02 0.00 0.00 32.46 30.00 2xer n ARG 749 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 2xer n TYR 750 N -1.89 0.00 -3.69 -1.55 4.02 -1.00 -5.07 117.16 107.97 2xer n TYR 750 Ca 0.03 -0.21 -0.14 0.00 -0.01 0.00 0.00 57.90 57.57 2xer n TYR 750 Cb 0.41 -0.03 -0.07 0.00 -0.02 0.00 0.00 39.34 39.63 2xer n TYR 750 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 2xer s VAL 751 N -0.48 0.05 0.80 -0.72 1.01 -0.85 -5.01 120.40 115.21 2xer s VAL 751 Ca 0.02 -0.42 -0.11 0.00 0.00 0.00 0.00 61.98 61.47 2xer s VAL 751 Cb 0.02 -0.81 0.08 0.00 0.00 0.00 0.00 36.38 35.67 2xer s VAL 751 CO 0.00 -0.23 1.17 1.51 0.00 0.00 0.00 175.10 177.55 2xer s ASP 752 N -1.58 4.46 0.32 3.32 -4.77 -1.26 -4.67 116.67 112.49 2xer s ASP 752 Ca -0.10 0.71 0.03 0.00 -3.30 0.00 0.00 52.55 49.88 2xer s ASP 752 Cb -0.03 -1.19 0.61 0.00 -1.09 0.00 0.00 42.92 41.22 2xer s ASP 752 CO 0.02 -1.92 1.91 0.03 0.70 0.00 0.00 175.17 175.92 2xer h ARG 753 N -1.03 0.90 0.46 2.11 2.47 -1.98 -0.73 114.38 116.59 2xer h ARG 753 Ca -0.46 -0.05 -0.02 0.00 -1.26 0.00 0.00 59.98 58.19 2xer h ARG 753 Cb 1.32 -0.20 0.00 0.00 -1.65 0.00 0.00 29.97 29.44 2xer h ARG 753 CO 0.64 0.60 -0.25 1.96 0.56 0.00 0.00 179.97 183.48 2xer h GLN 754 N 0.93 -0.63 0.00 0.04 1.08 -2.01 -2.51 115.11 112.01 2xer h GLN 754 Ca 0.39 0.04 -0.10 0.00 -1.45 0.00 0.00 58.65 57.53 2xer h GLN 754 Cb 0.30 0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 27.86 2xer h GLN 754 CO -0.15 -0.42 -0.48 0.87 -0.95 0.00 0.00 178.83 177.69 2xer h LYS 755 N -0.66 0.00 -0.82 1.46 1.57 -1.89 -3.14 116.57 113.09 2xer h LYS 755 Ca -0.06 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.68 2xer h LYS 755 Cb 0.52 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.79 2xer h LYS 755 CO 0.09 0.48 0.37 1.25 -0.57 0.00 0.00 179.45 181.07 2xer h LEU 756 N 0.00 1.10 -1.32 2.94 5.85 -0.99 -1.60 115.31 121.28 2xer h LEU 756 Ca -0.00 -0.15 -0.04 0.00 0.84 0.00 0.00 57.88 58.52 2xer h LEU 756 Cb 1.12 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.85 2xer h LEU 756 CO 0.06 0.95 -0.01 0.78 -0.34 0.00 0.00 178.44 179.88 2xer h ASN 757 N 1.18 0.41 -0.87 1.25 4.21 -1.40 -2.17 115.58 118.18 2xer h ASN 757 Ca 0.28 -0.07 -0.01 0.00 1.21 0.00 0.00 56.30 57.71 2xer h ASN 757 Cb 0.16 -0.11 -0.04 0.00 -1.12 0.00 0.00 38.32 37.21 2xer h ASN 757 CO -0.03 0.48 0.50 -0.07 -1.29 0.00 0.00 177.43 177.02 2xer h LEU 758 N 0.42 1.07 -0.47 1.61 3.38 -1.31 -2.25 115.31 117.77 2xer h LEU 758 Ca 0.09 -0.08 -0.16 0.00 0.09 0.00 0.00 57.88 57.82 2xer h LEU 758 Cb 0.30 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 2xer h LEU 758 CO 0.01 0.84 -0.47 -0.07 0.09 0.00 0.00 178.44 178.84 2xer h LEU 759 N 1.20 0.81 0.51 1.67 3.38 -1.01 -0.73 115.31 121.14 2xer h LEU 759 Ca 0.31 -0.40 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 2xer h LEU 759 Cb -0.01 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 2xer h LEU 759 CO -0.05 1.15 -0.49 -0.33 0.09 0.00 0.00 178.44 178.80 2xer h GLU 760 N 0.59 -0.95 0.00 1.13 5.08 -1.09 -0.21 114.58 119.13 2xer h GLU 760 Ca 0.03 0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 2xer h GLU 760 Cb 1.04 0.22 0.00 0.00 0.50 0.00 0.00 28.75 30.50 2xer h GLU 760 CO 0.10 -0.63 0.00 1.15 -1.00 0.00 0.00 179.01 178.63 2xer h THR 761 N -0.99 0.00 0.00 1.13 2.02 -1.44 0.43 112.91 114.06 2xer h THR 761 Ca -0.06 -0.22 -0.23 0.00 0.77 0.00 0.00 66.41 66.67 2xer h THR 761 Cb 0.85 1.13 -0.03 0.00 -1.74 0.00 0.00 68.15 68.36 2xer h THR 761 CO -0.05 0.00 -1.17 0.50 0.37 0.00 0.00 175.52 175.17 2xer h LYS 762 N 0.00 0.00 0.00 6.66 3.64 -0.27 -3.37 116.57 123.24 2xer h LYS 762 Ca 0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2xer h LYS 762 Cb 0.23 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 2xer h LYS 762 CO 0.00 0.89 -0.08 1.28 -2.27 0.00 0.00 179.45 179.27 2xer n LEU 763 N -3.28 1.18 -1.77 5.20 4.77 -0.17 -4.96 117.00 117.98 2xer n LEU 763 Ca -0.04 -1.47 -0.16 0.00 -0.03 0.00 0.00 56.01 54.31 2xer n LEU 763 Cb 0.97 -0.08 -0.05 0.00 -2.33 0.00 0.00 43.42 41.93 2xer n LEU 763 CO 0.47 0.36 -0.17 0.00 -1.33 0.00 0.00 177.39 176.71 2xer n GLN 764 N -0.46 -1.56 -1.32 3.23 1.13 0.07 -4.86 117.38 113.61 2xer n GLN 764 Ca 0.03 0.88 -0.42 0.00 -1.94 0.00 0.00 57.00 55.56 2xer n GLN 764 Cb 0.46 -5.28 0.00 0.00 0.11 0.00 0.00 30.24 25.53 2xer n GLN 764 CO 0.00 0.00 0.00 -0.11 -1.44 0.00 0.00 177.06 175.51 2xer n LEU 765 N -2.32 -2.45 0.00 1.08 7.94 -0.76 -5.02 117.00 115.48 2xer n LEU 765 Ca -0.17 0.81 0.00 0.00 -1.11 0.00 0.00 56.01 55.55 2xer n LEU 765 Cb 0.56 -0.92 0.00 0.00 0.53 0.00 0.00 43.42 43.59 2xer n LEU 765 CO 0.23 -4.03 0.00 0.55 -1.11 0.00 0.00 177.39 173.03