#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b1x n VAL 514 N 0.00 -0.22 0.00 5.15 0.31 -1.26 -5.00 118.33 117.31 2b1x n VAL 514 Ca 0.00 0.36 0.00 0.00 -0.01 0.00 0.00 64.34 64.69 2b1x n VAL 514 Cb 0.00 -0.61 0.00 0.00 -0.91 0.00 0.00 33.84 32.32 2b1x n VAL 514 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 2b1x n SER 515 N -3.35 0.00 0.00 4.52 7.64 -1.26 -4.84 113.62 116.33 2b1x n SER 515 Ca -0.03 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.85 2b1x n SER 515 Cb 0.35 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.55 2b1x n SER 515 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2b1x n ASP 516 N -0.07 0.00 -0.01 6.43 -0.08 -1.26 -4.29 116.55 117.27 2b1x n ASP 516 Ca 0.00 0.00 -0.01 0.00 -1.51 0.00 0.00 54.79 53.27 2b1x n ASP 516 Cb 0.00 0.00 0.27 0.00 2.34 0.00 0.00 41.12 43.73 2b1x n ASP 516 CO 0.00 0.00 0.00 0.74 0.12 0.00 0.00 177.20 178.06 2b1x h THR 517 N 0.00 1.21 -0.54 5.18 2.02 -2.00 -2.94 112.91 115.83 2b1x h THR 517 Ca 0.00 -0.89 -0.05 0.00 0.77 0.00 0.00 66.41 66.24 2b1x h THR 517 Cb 0.00 1.01 -0.02 0.00 -1.74 0.00 0.00 68.15 67.40 2b1x h THR 517 CO 0.00 0.30 0.15 0.74 0.37 0.00 0.00 175.52 177.08 2b1x h THR 518 N 0.51 1.24 -0.48 3.16 2.02 -2.00 -1.93 112.91 115.42 2b1x h THR 518 Ca 0.10 -0.83 0.06 0.00 0.77 0.00 0.00 66.41 66.51 2b1x h THR 518 Cb 0.40 0.75 -0.05 0.00 -1.74 0.00 0.00 68.15 67.51 2b1x h THR 518 CO 0.02 0.31 0.18 0.58 0.37 0.00 0.00 175.52 176.97 2b1x h VAL 519 N 0.76 0.85 0.15 3.16 2.07 -1.84 0.21 116.25 121.62 2b1x h VAL 519 Ca 0.17 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.57 2b1x h VAL 519 Cb 0.31 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 2b1x h VAL 519 CO -0.00 0.07 -0.16 -0.09 0.02 0.00 0.00 177.57 177.41 2b1x h ARG 520 N 0.36 -0.33 -0.43 1.57 2.43 -1.34 0.98 114.38 117.63 2b1x h ARG 520 Ca 0.23 0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.45 2b1x h ARG 520 Cb 0.23 0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.82 2b1x h ARG 520 CO -0.23 -0.22 0.23 0.93 -1.51 0.00 0.00 179.97 179.18 2b1x h GLU 521 N -0.34 0.45 -0.42 0.20 5.08 -1.03 0.14 114.58 118.66 2b1x h GLU 521 Ca 0.00 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.28 2b1x h GLU 521 Cb 0.33 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 2b1x h GLU 521 CO -0.04 0.30 0.03 0.82 -1.00 0.00 0.00 179.01 179.12 2b1x h ILE 522 N 0.46 1.25 -0.30 3.13 2.04 -0.81 0.13 117.51 123.41 2b1x h ILE 522 Ca 0.18 -0.96 -0.00 0.00 1.00 0.00 0.00 64.86 65.08 2b1x h ILE 522 Cb 0.06 1.06 -0.01 0.00 -0.74 0.00 0.00 36.82 37.18 2b1x h ILE 522 CO -0.11 0.33 0.19 0.74 0.00 0.00 0.00 178.15 179.30 2b1x h THR 523 N 0.56 1.10 -0.62 -0.27 2.02 -0.47 0.06 112.91 115.30 2b1x h THR 523 Ca 0.12 -0.22 -0.03 0.00 0.77 0.00 0.00 66.41 67.05 2b1x h THR 523 Cb 0.43 0.70 -0.03 0.00 -1.74 0.00 0.00 68.15 67.51 2b1x h THR 523 CO 0.02 0.10 0.27 -0.33 0.37 0.00 0.00 175.52 175.94 2b1x h GLU 524 N 0.40 0.89 -0.52 6.66 5.08 -0.50 -1.68 114.58 124.90 2b1x h GLU 524 Ca 0.11 -0.13 -0.03 0.00 -1.00 0.00 0.00 59.36 58.31 2b1x h GLU 524 Cb -0.00 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.06 2b1x h GLU 524 CO -0.02 0.71 0.21 2.35 -1.00 0.00 0.00 179.01 181.26 2b1x h TRP 525 N 0.88 0.79 -0.66 4.33 7.01 0.03 -0.91 115.95 127.42 2b1x h TRP 525 Ca 0.21 -0.06 -0.04 0.00 2.11 0.00 0.00 58.89 61.11 2b1x h TRP 525 Cb 0.13 -0.24 -0.03 0.00 -2.10 0.00 0.00 29.16 26.92 2b1x h TRP 525 CO 0.01 0.65 0.24 -0.07 -2.79 0.00 0.00 178.44 176.48 2b1x h LEU 526 N 0.70 0.92 -0.41 0.65 3.38 -0.27 -0.14 115.31 120.14 2b1x h LEU 526 Ca 0.17 -0.14 -0.18 0.00 0.09 0.00 0.00 57.88 57.82 2b1x h LEU 526 Cb 0.19 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 2b1x h LEU 526 CO -0.02 0.84 -0.73 1.88 0.09 0.00 0.00 178.44 180.50 2b1x h TYR 527 N 0.97 0.51 -0.54 1.13 0.99 -1.06 -1.59 116.97 117.38 2b1x h TYR 527 Ca 0.22 -0.23 -0.07 0.00 2.00 0.00 0.00 58.73 60.65 2b1x h TYR 527 Cb 0.23 -0.08 -0.02 0.00 1.00 0.00 0.00 36.73 37.86 2b1x h TYR 527 CO 0.02 0.98 0.04 1.98 -0.00 0.00 0.00 178.16 181.18 2b1x h MET 528 N 0.25 0.89 -0.00 4.88 4.05 -0.81 -1.40 114.93 122.79 2b1x h MET 528 Ca -0.03 -0.23 -0.00 0.00 -0.28 0.00 0.00 59.70 59.16 2b1x h MET 528 Cb 1.31 -0.11 -0.00 0.00 -0.80 0.00 0.00 31.60 32.00 2b1x h MET 528 CO 0.12 0.86 0.00 1.49 0.23 0.00 0.00 176.91 179.61 2b1x h GLU 529 N 0.83 0.00 -0.67 0.39 4.81 -0.81 -1.99 114.58 117.14 2b1x h GLU 529 Ca 0.16 -0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.44 2b1x h GLU 529 Cb 0.44 -0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.76 2b1x h GLU 529 CO 0.02 0.29 0.39 0.00 -0.73 0.00 0.00 179.01 178.98 2b1x h ALA 530 N 0.71 0.90 -0.44 2.92 0.00 -1.26 -2.15 119.26 119.94 2b1x h ALA 530 Ca 0.00 0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.96 2b1x h ALA 530 Cb 0.29 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 2b1x h ALA 530 CO 0.00 0.09 0.19 1.49 0.00 0.00 0.00 179.25 181.02 2b1x h GLU 531 N 0.73 0.37 -0.19 0.00 4.81 -1.14 0.52 114.58 119.67 2b1x h GLU 531 Ca 0.29 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.52 2b1x h GLU 531 Cb 0.15 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 2b1x h GLU 531 CO -0.16 0.25 0.05 -0.07 -0.73 0.00 0.00 179.01 178.35 2b1x h LEU 532 N 0.38 0.05 -0.54 1.64 3.38 -1.10 -1.73 115.31 117.39 2b1x h LEU 532 Ca 0.20 0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.20 2b1x h LEU 532 Cb 0.16 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 2b1x h LEU 532 CO -0.18 0.05 0.35 -0.07 0.09 0.00 0.00 178.44 178.69 2b1x h LEU 533 N 0.14 0.61 -0.29 1.67 -0.00 -1.01 -0.75 115.31 115.69 2b1x h LEU 533 Ca 0.09 -0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.95 2b1x h LEU 533 Cb 0.07 -0.15 0.00 0.00 -0.00 0.00 0.00 40.66 40.57 2b1x h LEU 533 CO -0.10 0.44 0.00 0.47 -0.00 0.00 0.00 178.44 179.25 2b1x n ASP 534 N -4.72 0.32 -0.97 -0.43 8.00 0.14 -1.61 116.55 117.29 2b1x n ASP 534 Ca 0.03 0.57 0.11 0.00 0.71 0.00 0.00 54.79 56.21 2b1x n ASP 534 Cb 0.02 -0.64 0.14 0.00 -0.02 0.00 0.00 41.12 40.62 2b1x n ASP 534 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2b1x n ALA 535 N -1.63 2.44 -1.75 2.24 0.00 -0.67 -4.77 120.51 116.37 2b1x n ALA 535 Ca 0.03 -0.81 -0.11 0.00 0.00 0.00 0.00 53.44 52.55 2b1x n ALA 535 Cb 0.22 -0.77 -0.03 0.00 0.00 0.00 0.00 19.45 18.87 2b1x n ALA 535 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2b1x n GLY 536 N 1.31 0.58 2.72 0.00 0.00 -0.63 -4.93 105.19 104.24 2b1x n GLY 536 Ca 0.15 -0.49 -0.42 0.00 0.00 0.00 0.00 46.02 45.27 2b1x n GLY 536 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2b1x n LYS 537 N -2.37 3.61 -0.09 1.61 5.02 -0.37 -4.79 118.16 120.78 2b1x n LYS 537 Ca -0.12 -3.20 -0.05 0.00 -2.02 0.00 0.00 58.31 52.92 2b1x n LYS 537 Cb 0.47 -2.95 0.14 0.00 -0.02 0.00 0.00 35.03 32.67 2b1x n LYS 537 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 2b1x h TYR 538 N 5.55 0.83 -0.34 2.13 -1.99 -1.92 -1.88 116.97 119.36 2b1x h TYR 538 Ca 0.52 -0.14 -0.05 0.00 2.00 0.00 0.00 58.73 61.06 2b1x h TYR 538 Cb 0.55 -0.22 -0.01 0.00 2.00 0.00 0.00 36.73 39.05 2b1x h TYR 538 CO 1.41 0.82 0.02 -0.09 -0.00 0.00 0.00 178.16 180.32 2b1x h ARG 539 N 0.69 0.58 -0.77 4.88 9.65 -1.94 0.41 114.38 127.89 2b1x h ARG 539 Ca 0.12 -0.17 -0.01 0.00 -1.10 0.00 0.00 59.98 58.82 2b1x h ARG 539 Cb 0.56 -0.06 -0.04 0.00 -1.39 0.00 0.00 29.97 29.05 2b1x h ARG 539 CO 0.03 0.68 0.44 0.93 2.80 0.00 0.00 179.97 184.86 2b1x h GLU 540 N 0.39 1.05 -0.75 0.20 5.08 -1.94 -2.68 114.58 115.93 2b1x h GLU 540 Ca 0.10 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 2b1x h GLU 540 Cb 0.41 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.41 2b1x h GLU 540 CO 0.01 0.77 0.39 2.35 -1.00 0.00 0.00 179.01 181.52 2b1x h TRP 541 N 1.05 1.06 -0.28 4.33 7.01 -0.96 -2.70 115.95 125.47 2b1x h TRP 541 Ca 0.27 -0.04 0.08 0.00 2.11 0.00 0.00 58.89 61.31 2b1x h TRP 541 Cb 0.00 -0.33 -0.01 0.00 -2.10 0.00 0.00 29.16 26.72 2b1x h TRP 541 CO -0.00 0.76 0.20 1.25 -2.79 0.00 0.00 178.44 177.86 2b1x h LEU 542 N 1.05 0.03 -0.65 0.65 5.85 -0.58 0.14 115.31 121.80 2b1x h LEU 542 Ca 0.26 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.98 2b1x h LEU 542 Cb 0.08 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.10 2b1x h LEU 542 CO -0.04 0.02 0.00 0.00 -0.34 0.00 0.00 178.44 178.08 2b1x n ALA 543 N -2.58 1.60 1.58 1.25 0.00 -1.02 -2.51 120.51 118.84 2b1x n ALA 543 Ca 0.04 0.08 0.14 0.00 0.00 0.00 0.00 53.44 53.70 2b1x n ALA 543 Cb 0.34 -1.36 0.65 0.00 0.00 0.00 0.00 19.45 19.08 2b1x n ALA 543 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2b1x n LEU 544 N -2.13 0.78 -4.81 0.00 4.77 0.49 -4.91 117.00 111.19 2b1x n LEU 544 Ca 0.02 -0.21 -0.23 0.00 -0.03 0.00 0.00 56.01 55.56 2b1x n LEU 544 Cb 0.20 -0.06 -0.05 0.00 -2.33 0.00 0.00 43.42 41.18 2b1x n LEU 544 CO 0.18 0.13 -0.19 0.68 -1.33 0.00 0.00 177.39 176.87 2b1x s VAL 545 N -2.17 4.41 0.36 4.08 -7.23 -1.04 -0.43 120.40 118.38 2b1x s VAL 545 Ca 0.37 -1.36 -0.01 0.00 -1.81 0.00 0.00 61.98 59.17 2b1x s VAL 545 Cb 0.21 -3.36 -0.04 0.00 0.56 0.00 0.00 36.38 33.76 2b1x s VAL 545 CO 0.40 -0.30 0.58 0.28 -0.31 0.00 0.00 175.10 175.75 2b1x s THR 546 N -2.06 5.07 0.41 5.32 -1.32 -0.42 -4.80 115.64 117.84 2b1x s THR 546 Ca 0.32 -0.29 0.11 0.00 -1.21 0.00 0.00 61.69 60.62 2b1x s THR 546 Cb -0.08 -3.85 0.17 0.00 -1.51 0.00 0.00 72.50 67.24 2b1x s THR 546 CO 0.24 -0.57 1.95 -0.33 -2.21 0.00 0.00 174.62 173.70 2b1x h GLU 547 N 0.80 0.17 -0.85 7.08 3.07 -1.96 -2.28 114.58 120.61 2b1x h GLU 547 Ca -0.49 -0.04 -0.36 0.00 -0.50 0.00 0.00 59.36 57.97 2b1x h GLU 547 Cb 1.21 -0.03 -0.22 0.00 -0.84 0.00 0.00 28.75 28.88 2b1x h GLU 547 CO 0.62 0.31 0.45 -0.40 -1.40 0.00 0.00 179.01 178.59 2b1x n ASP 548 N -4.30 4.25 -4.54 1.42 5.75 -1.26 -4.55 116.55 113.31 2b1x n ASP 548 Ca -0.01 -3.43 -0.50 0.00 -0.01 0.00 0.00 54.79 50.84 2b1x n ASP 548 Cb 0.25 -0.79 -0.04 0.00 -1.03 0.00 0.00 41.12 39.50 2b1x n ASP 548 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 2b1x n LEU 549 N -0.66 0.89 -4.01 -2.12 7.94 -0.86 -4.88 117.00 113.30 2b1x n LEU 549 Ca 0.50 1.14 -0.30 0.00 -1.11 0.00 0.00 56.01 56.24 2b1x n LEU 549 Cb 1.52 -1.13 -0.16 0.00 0.53 0.00 0.00 43.42 44.17 2b1x n LEU 549 CO 0.51 -1.64 -0.48 -0.55 -1.11 0.00 0.00 177.39 174.12 2b1x s SER 550 N -0.16 2.87 -0.25 1.96 0.15 -0.65 -3.81 113.70 113.80 2b1x s SER 550 Ca 0.74 -0.60 0.02 0.00 0.70 0.00 0.00 55.95 56.82 2b1x s SER 550 Cb -0.93 -1.18 0.06 0.00 -1.71 0.00 0.00 66.02 62.27 2b1x s SER 550 CO 0.54 -0.09 -0.08 -0.47 1.20 0.00 0.00 173.24 174.34 2b1x s TYR 551 N 1.47 2.87 0.01 3.44 5.04 -0.27 -0.80 117.35 129.12 2b1x s TYR 551 Ca 0.03 -2.09 0.04 0.00 -2.44 0.00 0.00 57.07 52.61 2b1x s TYR 551 Cb -0.14 -1.80 -0.01 0.00 0.35 0.00 0.00 41.96 40.36 2b1x s TYR 551 CO -0.10 -0.83 -0.12 0.14 -1.34 0.00 0.00 175.55 173.30 2b1x s VAL 552 N 1.23 0.91 -0.33 3.14 -7.23 -0.02 0.21 120.40 118.32 2b1x s VAL 552 Ca -0.07 -0.65 0.04 0.00 -1.81 0.00 0.00 61.98 59.49 2b1x s VAL 552 Cb -0.19 -0.79 0.09 0.00 0.56 0.00 0.00 36.38 36.05 2b1x s VAL 552 CO -0.06 0.14 0.03 -0.69 -0.31 0.00 0.00 175.10 174.21 2b1x s VAL 553 N -0.49 2.19 0.72 1.32 1.01 0.02 -0.81 120.40 124.35 2b1x s VAL 553 Ca 0.03 -2.20 -0.12 0.00 0.00 0.00 0.00 61.98 59.69 2b1x s VAL 553 Cb -0.06 -2.58 0.03 0.00 0.00 0.00 0.00 36.38 33.77 2b1x s VAL 553 CO 0.00 -0.53 1.08 -2.84 0.00 0.00 0.00 175.10 172.81 2b1x s PRO 554 N 0.97 2.61 0.05 2.72 0.02 -1.25 -0.15 135.00 139.96 2b1x s PRO 554 Ca 0.08 1.13 -0.16 0.00 0.02 0.00 0.00 61.00 62.08 2b1x s PRO 554 Cb -0.19 -1.94 -0.06 0.00 0.02 0.00 0.00 34.50 32.33 2b1x s PRO 554 CO -0.08 -1.37 0.48 0.42 -0.33 0.00 0.00 177.00 176.12 2b1x s ILE 555 N -2.85 4.91 0.11 2.83 1.01 -1.26 -4.59 121.20 121.37 2b1x s ILE 555 Ca 0.61 0.95 0.10 0.00 0.00 0.00 0.00 60.65 62.31 2b1x s ILE 555 Cb -0.16 -3.78 -0.04 0.00 0.01 0.00 0.00 42.46 38.49 2b1x s ILE 555 CO 0.52 0.52 -0.25 -0.13 0.00 0.00 0.00 174.94 175.61 2b1x s ARG 556 N -1.24 1.35 0.05 2.79 0.52 -1.26 -0.48 118.95 120.69 2b1x s ARG 556 Ca 0.28 -1.25 0.06 0.00 -0.52 0.00 0.00 55.73 54.30 2b1x s ARG 556 Cb -0.17 -1.72 -0.03 0.00 0.52 0.00 0.00 34.95 33.55 2b1x s ARG 556 CO 0.16 0.41 -0.17 0.14 0.02 0.00 0.00 175.30 175.86 2b1x s VAL 557 N -1.05 1.40 0.18 3.52 -7.23 -0.57 -4.48 120.40 112.17 2b1x s VAL 557 Ca 0.11 -1.19 -0.32 0.00 -1.81 0.00 0.00 61.98 58.77 2b1x s VAL 557 Cb -0.10 -1.26 -0.11 0.00 0.56 0.00 0.00 36.38 35.47 2b1x s VAL 557 CO 0.05 0.04 1.66 -0.89 -0.31 0.00 0.00 175.10 175.65 2b1x s THR 558 N -0.93 2.32 0.04 5.32 2.01 -1.26 -4.76 115.64 118.38 2b1x s THR 558 Ca 0.04 0.21 -0.02 0.00 0.31 0.00 0.00 61.69 62.23 2b1x s THR 558 Cb -0.09 -3.14 -0.03 0.00 0.01 0.00 0.00 72.50 69.26 2b1x s THR 558 CO 0.02 0.02 0.01 -0.13 -0.69 0.00 0.00 174.62 173.85 2b1x s ARG 559 N 1.26 0.56 0.74 4.92 0.52 -1.26 -5.12 118.95 120.57 2b1x s ARG 559 Ca 0.73 -0.99 -0.15 0.00 -0.52 0.00 0.00 55.73 54.80 2b1x s ARG 559 Cb -0.47 0.20 0.01 0.00 0.52 0.00 0.00 34.95 35.22 2b1x s ARG 559 CO 0.32 -0.12 0.95 -0.85 0.02 0.00 0.00 175.30 175.62 2b1x n GLU 560 N 0.52 0.42 -0.04 3.54 0.00 -1.26 -4.86 120.64 118.96 2b1x n GLU 560 Ca -0.17 0.20 0.17 0.00 0.00 0.00 0.00 57.16 57.36 2b1x n GLU 560 Cb 0.59 -2.21 0.61 0.00 0.00 0.00 0.00 31.44 30.44 2b1x n GLU 560 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.13 177.04 2b1x h ARG 561 N -0.40 0.16 0.00 3.44 2.43 -2.03 -1.92 114.38 116.07 2b1x h ARG 561 Ca -0.47 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 58.66 2b1x h ARG 561 Cb 1.33 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.84 2b1x h ARG 561 CO 0.46 0.11 -0.17 1.49 -1.51 0.00 0.00 179.97 180.34 2b1x h GLU 562 N 0.16 0.00 -6.77 0.20 4.81 -2.02 -3.44 114.58 107.52 2b1x h GLU 562 Ca 0.27 0.00 -0.56 0.00 -0.13 0.00 0.00 59.36 58.95 2b1x h GLU 562 Cb 0.86 0.00 0.10 0.00 0.63 0.00 0.00 28.75 30.34 2b1x h GLU 562 CO -0.04 0.17 0.68 0.00 -0.73 0.00 0.00 179.01 179.09 2b1x n ALA 563 N -2.43 1.81 -0.16 2.92 0.00 -0.72 -4.90 120.51 117.03 2b1x n ALA 563 Ca -0.02 0.37 -0.06 0.00 0.00 0.00 0.00 53.44 53.73 2b1x n ALA 563 Cb 0.25 -2.35 0.11 0.00 0.00 0.00 0.00 19.45 17.46 2b1x n ALA 563 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2b1x h VAL 564 N 2.94 1.25 -3.42 0.00 2.07 -1.90 -3.45 116.25 113.76 2b1x h VAL 564 Ca -0.47 -1.03 -0.11 0.00 0.82 0.00 0.00 66.70 65.90 2b1x h VAL 564 Cb 1.26 0.79 -0.18 0.00 -1.52 0.00 0.00 31.29 31.64 2b1x h VAL 564 CO 0.70 0.37 -0.35 0.28 0.02 0.00 0.00 177.57 178.59 2b1x s THR 565 N -5.06 0.09 -0.89 2.57 -1.32 -1.26 -5.02 115.64 104.75 2b1x s THR 565 Ca -0.10 -0.76 0.10 0.00 -1.21 0.00 0.00 61.69 59.71 2b1x s THR 565 Cb 0.14 -0.83 0.27 0.00 -1.51 0.00 0.00 72.50 70.58 2b1x s THR 565 CO 0.83 -0.42 1.21 -0.90 -2.21 0.00 0.00 174.62 173.13 2b1x n ASP 566 N 0.82 2.79 -4.71 8.08 5.68 -1.26 -5.00 116.55 122.95 2b1x n ASP 566 Ca -0.20 -1.96 -0.39 0.00 -0.50 0.00 0.00 54.79 51.74 2b1x n ASP 566 Cb 0.58 -0.20 -0.05 0.00 -1.14 0.00 0.00 41.12 40.31 2b1x n ASP 566 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 2b1x s VAL 567 N -0.99 5.09 0.22 2.12 1.01 -1.26 -1.51 120.40 125.08 2b1x s VAL 567 Ca 0.21 1.23 -0.30 0.00 0.00 0.00 0.00 61.98 63.11 2b1x s VAL 567 Cb 0.11 -3.94 -0.09 0.00 0.00 0.00 0.00 36.38 32.45 2b1x s VAL 567 CO 0.15 0.25 1.33 -0.69 0.00 0.00 0.00 175.10 176.13 2b1x s VAL 568 N 0.96 3.07 -0.13 2.92 1.01 0.37 -5.00 120.40 123.60 2b1x s VAL 568 Ca 0.32 0.90 -0.16 0.00 0.00 0.00 0.00 61.98 63.04 2b1x s VAL 568 Cb -0.16 -3.58 -0.05 0.00 0.00 0.00 0.00 36.38 32.59 2b1x s VAL 568 CO 0.14 0.14 0.37 -1.61 0.00 0.00 0.00 175.10 174.15 2b1x s GLU 569 N -0.33 4.25 0.00 2.72 2.02 -1.26 -4.46 118.70 121.64 2b1x s GLU 569 Ca 0.56 0.26 0.00 0.00 0.02 0.00 0.00 54.97 55.81 2b1x s GLU 569 Cb -0.38 -3.41 0.00 0.00 0.10 0.00 0.00 34.13 30.45 2b1x s GLU 569 CO 0.40 0.25 0.00 0.41 0.02 0.00 0.00 175.26 176.35 2b1x n GLY 570 N 3.18 2.15 3.10 -1.39 0.00 -1.26 -4.99 105.19 105.98 2b1x n GLY 570 Ca -0.10 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.79 2b1x n GLY 570 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2b1x s MET 571 N -0.70 0.65 0.11 1.61 -2.45 -1.26 -5.16 119.30 112.09 2b1x s MET 571 Ca 0.00 -0.96 -0.16 0.00 -1.25 0.00 0.00 55.69 53.32 2b1x s MET 571 Cb 0.00 -0.29 0.03 0.00 1.25 0.00 0.00 34.83 35.82 2b1x s MET 571 CO 0.00 0.03 0.38 0.99 1.05 0.00 0.00 175.02 177.48 2b1x s THR 572 N -2.12 0.07 0.03 10.11 2.01 -1.26 -4.28 115.64 120.20 2b1x s THR 572 Ca -0.02 -0.61 0.10 0.00 0.31 0.00 0.00 61.69 61.46 2b1x s THR 572 Cb -0.05 -1.15 -0.14 0.00 0.01 0.00 0.00 72.50 71.17 2b1x s THR 572 CO -0.01 -0.34 1.27 0.45 -0.69 0.00 0.00 174.62 175.30 2b1x h HIS 573 N 2.48 0.00 -1.86 4.92 3.86 -0.79 -3.46 115.15 120.29 2b1x h HIS 573 Ca -0.34 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.87 2b1x h HIS 573 Cb 1.24 0.00 -0.23 0.00 1.06 0.00 0.00 27.41 29.49 2b1x h HIS 573 CO 0.34 0.86 0.23 1.41 0.86 0.00 0.00 177.93 181.64 2b1x s MET 574 N -2.77 0.71 -0.46 2.45 -2.45 -1.14 -4.95 119.30 110.68 2b1x s MET 574 Ca 0.01 0.88 0.06 0.00 -1.25 0.00 0.00 55.69 55.39 2b1x s MET 574 Cb 0.09 0.33 0.18 0.00 1.25 0.00 0.00 34.83 36.68 2b1x s MET 574 CO 0.80 -0.09 0.57 0.34 1.05 0.00 0.00 175.02 177.69 2b1x s ASP 575 N 0.44 -0.37 0.05 1.11 -1.08 -1.25 -0.80 116.67 114.78 2b1x s ASP 575 Ca 0.00 -1.98 -0.00 0.00 -0.52 0.00 0.00 52.55 50.04 2b1x s ASP 575 Cb -0.05 1.12 -0.04 0.00 -1.46 0.00 0.00 42.92 42.49 2b1x s ASP 575 CO -0.03 -0.12 0.21 -1.81 0.52 0.00 0.00 175.17 173.94 2b1x s ASP 576 N 0.82 6.35 0.00 -0.34 1.01 0.13 -4.94 116.67 119.70 2b1x s ASP 576 Ca 0.28 0.27 0.00 0.00 0.71 0.00 0.00 52.55 53.81 2b1x s ASP 576 Cb -0.01 -1.96 0.00 0.00 1.01 0.00 0.00 42.92 41.96 2b1x s ASP 576 CO -0.09 0.18 0.00 -0.90 0.21 0.00 0.00 175.17 174.57 2b1x n ASP 577 N 0.36 1.40 -0.23 0.27 5.68 -1.26 -1.11 116.55 121.65 2b1x n ASP 577 Ca -0.06 -1.00 -0.08 0.00 -0.50 0.00 0.00 54.79 53.15 2b1x n ASP 577 Cb 0.51 0.00 0.04 0.00 -1.14 0.00 0.00 41.12 40.53 2b1x n ASP 577 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2b1x h ALA 578 N 0.85 0.87 -0.69 2.12 0.00 -1.80 -0.97 119.26 119.63 2b1x h ALA 578 Ca 0.00 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.59 2b1x h ALA 578 Cb 0.00 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 2b1x h ALA 578 CO 0.00 0.62 0.21 -0.44 0.00 0.00 0.00 179.25 179.63 2b1x h ASP 579 N 0.99 1.02 0.64 0.00 3.32 -1.94 -1.32 116.42 119.13 2b1x h ASP 579 Ca 0.20 -0.21 -0.22 0.00 0.02 0.00 0.00 57.03 56.81 2b1x h ASP 579 Cb 0.42 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 2b1x h ASP 579 CO 0.01 0.97 -1.01 0.77 -1.72 0.00 0.00 179.24 178.26 2b1x h SER 580 N 1.02 0.29 -0.50 6.45 4.64 -1.90 -2.12 113.55 121.43 2b1x h SER 580 Ca 0.22 -0.27 -0.06 0.00 -0.47 0.00 0.00 61.79 61.22 2b1x h SER 580 Cb 0.32 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 62.29 2b1x h SER 580 CO -0.00 1.13 0.12 -0.03 -0.87 0.00 0.00 176.83 177.17 2b1x h MET 581 N 0.09 0.86 -0.09 4.77 1.85 -1.14 -1.76 114.93 119.51 2b1x h MET 581 Ca -0.07 -0.19 -0.00 0.00 -0.61 0.00 0.00 59.70 58.83 2b1x h MET 581 Cb 1.69 -0.12 -0.00 0.00 0.43 0.00 0.00 31.60 33.59 2b1x h MET 581 CO 0.16 0.79 0.05 1.49 -0.40 0.00 0.00 176.91 179.00 2b1x h GLU 582 N 0.83 0.12 -0.80 0.39 4.81 -1.06 -2.17 114.58 116.71 2b1x h GLU 582 Ca 0.18 -0.01 0.15 0.00 -0.13 0.00 0.00 59.36 59.54 2b1x h GLU 582 Cb 0.33 -0.03 -0.10 0.00 0.63 0.00 0.00 28.75 29.59 2b1x h GLU 582 CO 0.00 0.14 0.37 1.98 -0.73 0.00 0.00 179.01 180.77 2b1x h MET 583 N 0.08 0.51 -0.70 1.92 4.05 -1.23 0.39 114.93 119.95 2b1x h MET 583 Ca 0.03 -0.03 0.02 0.00 -0.28 0.00 0.00 59.70 59.44 2b1x h MET 583 Cb 0.05 -0.11 -0.04 0.00 -0.80 0.00 0.00 31.60 30.69 2b1x h MET 583 CO -0.01 0.34 0.45 -0.09 0.23 0.00 0.00 176.91 177.83 2b1x h ARG 584 N 0.52 0.86 -0.06 0.39 2.43 -0.98 0.97 114.38 118.51 2b1x h ARG 584 Ca 0.44 -0.05 -0.18 0.00 -0.81 0.00 0.00 59.98 59.38 2b1x h ARG 584 Cb 0.65 -0.19 0.01 0.00 -0.42 0.00 0.00 29.97 30.02 2b1x h ARG 584 CO -0.39 0.57 -0.66 0.28 -1.51 0.00 0.00 179.97 178.26 2b1x h VAL 585 N 0.88 1.36 -0.96 0.20 2.07 -0.68 -2.77 116.25 116.35 2b1x h VAL 585 Ca 0.27 -1.99 0.07 0.00 0.82 0.00 0.00 66.70 65.87 2b1x h VAL 585 Cb -0.02 2.31 -0.06 0.00 -1.52 0.00 0.00 31.29 31.99 2b1x h VAL 585 CO -0.09 0.60 0.62 -0.07 0.02 0.00 0.00 177.57 178.65 2b1x h LEU 586 N 0.16 0.98 -0.27 2.57 3.38 0.09 -2.00 115.31 120.22 2b1x h LEU 586 Ca -0.06 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 2b1x h LEU 586 Cb 1.32 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.86 2b1x h LEU 586 CO 0.13 0.63 0.14 -0.09 0.09 0.00 0.00 178.44 179.34 2b1x h ARG 587 N 1.11 0.39 0.00 1.13 2.43 -0.69 -2.08 114.38 116.67 2b1x h ARG 587 Ca 0.41 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.53 2b1x h ARG 587 Cb 0.18 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.66 2b1x h ARG 587 CO -0.16 0.36 0.00 -0.07 -1.51 0.00 0.00 179.97 178.59 2b1x h LEU 588 N 0.32 0.00 -0.73 3.80 3.38 -1.10 -1.73 115.31 119.24 2b1x h LEU 588 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2b1x h LEU 588 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 2b1x h LEU 588 CO -0.01 0.00 -0.27 -0.62 0.09 0.00 0.00 178.44 177.63 2b1x n GLU 589 N -2.46 1.09 -1.64 1.13 1.02 -0.79 -4.87 120.64 114.11 2b1x n GLU 589 Ca -0.00 -0.73 -0.30 0.00 -0.02 0.00 0.00 57.16 56.11 2b1x n GLU 589 Cb 0.12 -1.48 0.18 0.00 -0.02 0.00 0.00 31.44 30.24 2b1x n GLU 589 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 2b1x s THR 590 N -2.42 1.90 -1.52 2.62 -4.23 -0.65 -4.96 115.64 106.38 2b1x s THR 590 Ca 0.25 0.00 0.13 0.00 -1.18 0.00 0.00 61.69 60.88 2b1x s THR 590 Cb 0.19 -2.83 0.45 0.00 1.34 0.00 0.00 72.50 71.65 2b1x s THR 590 CO 0.50 0.00 1.33 -0.62 -0.54 0.00 0.00 174.62 175.29 2b1x n GLU 591 N -3.97 2.54 -0.18 3.99 1.02 -1.26 -4.31 120.64 118.47 2b1x n GLU 591 Ca 0.12 -1.79 0.01 0.00 -0.02 0.00 0.00 57.16 55.49 2b1x n GLU 591 Cb 0.60 -1.57 0.01 0.00 -0.02 0.00 0.00 31.44 30.46 2b1x n GLU 591 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2b1x n TYR 592 N 0.72 0.00 -2.51 -0.32 4.02 -1.26 -4.95 117.16 112.85 2b1x n TYR 592 Ca 0.16 -0.16 -0.43 0.00 -0.01 0.00 0.00 57.90 57.46 2b1x n TYR 592 Cb 0.54 -0.04 0.00 0.00 -0.02 0.00 0.00 39.34 39.82 2b1x n TYR 592 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2b1x n ALA 593 N -0.21 3.71 -0.00 -0.72 0.00 -1.26 -4.82 120.51 117.21 2b1x n ALA 593 Ca 0.02 -3.85 0.00 0.00 0.00 0.00 0.00 53.44 49.61 2b1x n ALA 593 Cb 0.55 -3.60 0.32 0.00 0.00 0.00 0.00 19.45 16.72 2b1x n ALA 593 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.50 176.01 2b1x h TRP 594 N 7.44 0.54 -0.20 0.00 4.06 -1.93 -0.56 115.95 125.31 2b1x h TRP 594 Ca 0.46 -0.04 0.06 0.00 2.06 0.00 0.00 58.89 61.42 2b1x h TRP 594 Cb 0.85 -0.16 -0.01 0.00 -1.00 0.00 0.00 29.16 28.84 2b1x h TRP 594 CO 1.43 0.50 0.17 0.00 -3.56 0.00 0.00 178.44 176.98 2b1x h ALA 595 N 1.54 2.01 0.00 1.49 0.00 -1.92 -2.99 119.26 119.38 2b1x h ALA 595 Ca 0.12 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 2b1x h ALA 595 Cb 0.27 0.01 -0.11 0.00 0.00 0.00 0.00 17.79 17.96 2b1x h ALA 595 CO 0.00 -0.27 -0.56 0.39 0.00 0.00 0.00 179.25 178.82 2b1x n GLU 596 N -4.17 0.79 -3.42 0.00 -0.58 -0.32 -4.75 120.64 108.19 2b1x n GLU 596 Ca 0.02 -2.38 -0.19 0.00 -0.42 0.00 0.00 57.16 54.19 2b1x n GLU 596 Cb 0.30 -0.93 -0.10 0.00 -0.57 0.00 0.00 31.44 30.14 2b1x n GLU 596 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 2b1x s ASP 597 N -2.42 1.95 0.51 1.62 -1.08 -0.59 -2.31 116.67 114.36 2b1x s ASP 597 Ca 0.29 -0.84 -0.22 0.00 -0.52 0.00 0.00 52.55 51.26 2b1x s ASP 597 Cb 0.29 0.38 -0.06 0.00 -1.46 0.00 0.00 42.92 42.08 2b1x s ASP 597 CO -0.07 -0.40 1.30 -2.84 0.52 0.00 0.00 175.17 173.69 2b1x s PRO 598 N 2.32 3.36 0.47 4.34 0.02 -1.26 -4.61 135.00 139.65 2b1x s PRO 598 Ca 0.09 2.10 -0.24 0.00 0.02 0.00 0.00 61.00 62.98 2b1x s PRO 598 Cb -0.14 -2.33 -0.07 0.00 0.02 0.00 0.00 34.50 31.98 2b1x s PRO 598 CO -0.34 -0.97 1.29 -1.25 -0.33 0.00 0.00 177.00 175.40 2b1x s PRO 599 N -2.81 3.61 0.69 5.54 0.04 -0.98 -4.94 135.00 136.15 2b1x s PRO 599 Ca 0.68 2.08 -0.16 0.00 0.04 0.00 0.00 61.00 63.64 2b1x s PRO 599 Cb -0.37 -2.48 0.02 0.00 0.04 0.00 0.00 34.50 31.71 2b1x s PRO 599 CO 0.44 -0.76 1.24 -1.12 0.04 0.00 0.00 177.00 176.84 2b1x s SER 600 N -0.98 4.39 -0.25 6.66 0.01 -1.26 -4.81 113.70 117.45 2b1x s SER 600 Ca 0.64 2.48 -0.17 0.00 1.31 0.00 0.00 55.95 60.20 2b1x s SER 600 Cb -0.36 -2.60 -0.03 0.00 0.21 0.00 0.00 66.02 63.24 2b1x s SER 600 CO 0.45 -2.14 0.49 -0.13 0.41 0.00 0.00 173.24 172.31 2b1x s ARG 601 N -3.65 4.07 0.19 12.44 3.00 -0.48 -4.97 118.95 129.55 2b1x s ARG 601 Ca 0.78 0.28 0.07 0.00 0.00 0.00 0.00 55.73 56.86 2b1x s ARG 601 Cb -0.33 -3.64 -0.05 0.00 0.00 0.00 0.00 34.95 30.94 2b1x s ARG 601 CO 0.42 -0.31 -0.14 -1.54 0.00 0.00 0.00 175.30 173.74 2b1x s SER 602 N 1.51 2.39 -0.04 0.23 1.04 -1.26 -1.57 113.70 115.99 2b1x s SER 602 Ca 0.20 -1.00 -0.01 0.00 0.48 0.00 0.00 55.95 55.62 2b1x s SER 602 Cb -0.16 -0.11 0.03 0.00 0.10 0.00 0.00 66.02 65.89 2b1x s SER 602 CO 0.09 -0.20 0.07 -0.60 0.98 0.00 0.00 173.24 173.59 2b1x s ARG 603 N -3.59 -0.03 -0.59 4.02 3.52 -0.67 -4.82 118.95 116.80 2b1x s ARG 603 Ca 0.20 0.32 -0.21 0.00 -0.13 0.00 0.00 55.73 55.92 2b1x s ARG 603 Cb -0.00 -0.33 0.08 0.00 -1.56 0.00 0.00 34.95 33.13 2b1x s ARG 603 CO 0.05 -0.24 0.79 -1.01 -0.81 0.00 0.00 175.30 174.08 2b1x s HIS 604 N 1.60 2.89 -0.23 5.12 3.76 -1.26 -1.31 115.29 125.85 2b1x s HIS 604 Ca -0.03 -0.64 -0.22 0.00 -0.15 0.00 0.00 55.06 54.01 2b1x s HIS 604 Cb -0.12 -3.99 -0.01 0.00 1.11 0.00 0.00 32.58 29.56 2b1x s HIS 604 CO -0.04 -1.34 0.72 -0.06 -0.85 0.00 0.00 174.74 173.17 2b1x s PHE 605 N 3.21 3.32 -0.20 1.40 0.40 -0.18 -4.96 117.98 120.97 2b1x s PHE 605 Ca 0.17 1.00 0.01 0.00 -0.60 0.00 0.00 56.93 57.51 2b1x s PHE 605 Cb -0.20 -2.93 0.03 0.00 0.51 0.00 0.00 43.02 40.43 2b1x s PHE 605 CO 0.10 -0.32 -0.16 0.08 0.70 0.00 0.00 175.22 175.62 2b1x s VAL 606 N 2.50 2.25 0.28 -0.44 1.01 -1.26 -0.95 120.40 123.79 2b1x s VAL 606 Ca 0.31 -1.03 0.03 0.00 0.00 0.00 0.00 61.98 61.29 2b1x s VAL 606 Cb -0.16 -2.04 -0.03 0.00 0.00 0.00 0.00 36.38 34.15 2b1x s VAL 606 CO 0.09 0.40 0.23 0.42 0.00 0.00 0.00 175.10 176.24 2b1x s THR 607 N 1.28 0.00 -1.35 3.92 -4.23 -0.43 -4.91 115.64 109.91 2b1x s THR 607 Ca 0.02 -1.98 -0.03 0.00 -1.18 0.00 0.00 61.69 58.52 2b1x s THR 607 Cb -0.15 -2.50 0.02 0.00 1.34 0.00 0.00 72.50 71.21 2b1x s THR 607 CO -0.10 0.00 0.75 0.59 -0.54 0.00 0.00 174.62 175.31 2b1x n ASN 608 N -1.02 -1.85 -4.66 3.99 5.03 -1.26 -0.28 115.26 115.21 2b1x n ASN 608 Ca 0.05 -0.82 -0.43 0.00 0.87 0.00 0.00 54.58 54.26 2b1x n ASN 608 Cb 0.64 -3.99 -0.02 0.00 -1.02 0.00 0.00 39.78 35.38 2b1x n ASN 608 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 2b1x s VAL 609 N -3.61 4.11 -0.11 2.41 1.01 -1.26 -4.15 120.40 118.80 2b1x s VAL 609 Ca 0.13 1.35 0.02 0.00 0.00 0.00 0.00 61.98 63.49 2b1x s VAL 609 Cb -0.07 -3.87 -0.01 0.00 0.00 0.00 0.00 36.38 32.43 2b1x s VAL 609 CO 0.82 -0.11 -0.18 -0.13 0.00 0.00 0.00 175.10 175.50 2b1x s ARG 610 N 3.55 3.19 -0.11 2.72 0.52 0.97 -4.99 118.95 124.80 2b1x s ARG 610 Ca 0.59 -0.77 0.03 0.00 -0.52 0.00 0.00 55.73 55.07 2b1x s ARG 610 Cb -0.25 -2.48 0.00 0.00 0.52 0.00 0.00 34.95 32.74 2b1x s ARG 610 CO 0.18 0.23 -0.22 0.08 0.02 0.00 0.00 175.30 175.59 2b1x s VAL 611 N 0.27 2.19 0.15 3.52 1.01 -1.26 -0.83 120.40 125.44 2b1x s VAL 611 Ca -0.13 -0.96 0.05 0.00 0.00 0.00 0.00 61.98 60.94 2b1x s VAL 611 Cb -0.16 -1.85 -0.04 0.00 0.00 0.00 0.00 36.38 34.32 2b1x s VAL 611 CO 0.07 0.55 -0.11 0.00 0.00 0.00 0.00 175.10 175.61 2b1x s ALA 612 N 0.47 1.50 0.53 5.51 0.00 0.53 -4.98 121.76 125.32 2b1x s ALA 612 Ca -0.15 -1.48 -0.21 0.00 0.00 0.00 0.00 51.96 50.13 2b1x s ALA 612 Cb -0.17 0.02 -0.05 0.00 0.00 0.00 0.00 23.12 22.92 2b1x s ALA 612 CO 0.06 -0.06 1.21 0.95 0.00 0.00 0.00 175.76 177.92 2b1x s THR 613 N -3.13 2.76 0.00 0.00 -4.23 -1.26 -0.44 115.64 109.34 2b1x s THR 613 Ca 0.16 0.52 0.00 0.00 -1.18 0.00 0.00 61.69 61.19 2b1x s THR 613 Cb 0.01 -3.24 0.00 0.00 1.34 0.00 0.00 72.50 70.61 2b1x s THR 613 CO 0.01 -0.06 0.00 0.61 -0.54 0.00 0.00 174.62 174.65 2b1x n GLY 614 N 0.48 0.33 0.11 3.99 0.00 0.33 -4.33 105.19 106.10 2b1x n GLY 614 Ca 0.11 -1.88 -0.02 0.00 0.00 0.00 0.00 46.02 44.23 2b1x n GLY 614 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2b1x h ASP 615 N 0.00 0.00 -2.20 1.61 3.32 -1.97 -3.44 116.42 113.75 2b1x h ASP 615 Ca 0.00 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.50 2b1x h ASP 615 Cb 0.00 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 39.46 2b1x h ASP 615 CO 0.00 0.71 -0.63 -0.44 -1.72 0.00 0.00 179.24 177.16 2b1x s SER 616 N -6.60 4.63 0.75 6.45 0.01 -1.26 -5.08 113.70 112.60 2b1x s SER 616 Ca 0.02 -0.61 -0.15 0.00 1.31 0.00 0.00 55.95 56.52 2b1x s SER 616 Cb 0.09 -0.89 0.05 0.00 0.21 0.00 0.00 66.02 65.48 2b1x s SER 616 CO 0.77 -0.01 1.22 -1.61 0.41 0.00 0.00 173.24 174.02 2b1x s GLU 617 N -3.69 2.02 0.00 12.44 0.41 -1.26 -2.62 118.70 125.99 2b1x s GLU 617 Ca 0.32 1.79 0.00 0.00 -0.41 0.00 0.00 54.97 56.67 2b1x s GLU 617 Cb -0.06 -1.82 0.00 0.00 -1.78 0.00 0.00 34.13 30.47 2b1x s GLU 617 CO 0.20 -1.94 0.00 -0.40 -0.49 0.00 0.00 175.26 172.64 2b1x n ASP 618 N -2.83 0.00 -4.38 -0.19 5.68 -1.26 -4.99 116.55 108.58 2b1x n ASP 618 Ca 0.14 0.00 -0.31 0.00 -0.50 0.00 0.00 54.79 54.12 2b1x n ASP 618 Cb 0.50 -0.98 -0.14 0.00 -1.14 0.00 0.00 41.12 39.36 2b1x n ASP 618 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 2b1x s GLU 619 N -0.39 2.13 -0.00 0.11 2.02 -1.08 -0.62 118.70 120.88 2b1x s GLU 619 Ca 0.00 -0.92 0.04 0.00 0.02 0.00 0.00 54.97 54.10 2b1x s GLU 619 Cb 0.00 -2.13 -0.01 0.00 0.10 0.00 0.00 34.13 32.09 2b1x s GLU 619 CO 0.00 0.56 -0.11 -0.06 0.02 0.00 0.00 175.26 175.67 2b1x s PHE 620 N -0.74 1.02 -0.32 1.61 0.40 0.35 -0.51 117.98 119.79 2b1x s PHE 620 Ca 0.12 -0.21 -0.17 0.00 -0.60 0.00 0.00 56.93 56.07 2b1x s PHE 620 Cb -0.10 -0.65 -0.02 0.00 0.51 0.00 0.00 43.02 42.76 2b1x s PHE 620 CO 0.01 -0.01 0.45 0.15 0.70 0.00 0.00 175.22 176.52 2b1x s LYS 621 N -0.34 3.76 -0.15 0.44 1.02 0.42 -1.04 119.74 123.85 2b1x s LYS 621 Ca 0.04 -0.09 0.01 0.00 0.02 0.00 0.00 55.97 55.94 2b1x s LYS 621 Cb -0.05 -3.75 0.02 0.00 -0.52 0.00 0.00 37.83 33.53 2b1x s LYS 621 CO -0.00 -0.50 -0.15 0.08 -0.92 0.00 0.00 175.35 173.86 2b1x s VAL 622 N 2.24 1.60 -0.15 3.17 1.01 -0.53 -0.35 120.40 127.39 2b1x s VAL 622 Ca 0.17 -0.66 0.02 0.00 0.00 0.00 0.00 61.98 61.51 2b1x s VAL 622 Cb -0.16 -1.49 0.01 0.00 0.00 0.00 0.00 36.38 34.74 2b1x s VAL 622 CO 0.12 0.46 -0.20 -0.89 0.00 0.00 0.00 175.10 174.59 2b1x s THR 623 N 1.40 2.18 0.05 3.92 2.01 -0.01 -0.13 115.64 125.06 2b1x s THR 623 Ca 0.03 -0.94 0.03 0.00 0.31 0.00 0.00 61.69 61.12 2b1x s THR 623 Cb -0.13 -1.88 -0.03 0.00 0.01 0.00 0.00 72.50 70.47 2b1x s THR 623 CO -0.10 0.54 -0.08 -0.94 -0.69 0.00 0.00 174.62 173.35 2b1x s SER 624 N 0.85 0.99 0.10 3.53 1.04 -0.37 -0.02 113.70 119.83 2b1x s SER 624 Ca -0.06 -0.61 -0.27 0.00 0.48 0.00 0.00 55.95 55.49 2b1x s SER 624 Cb -0.15 0.03 -0.06 0.00 0.10 0.00 0.00 66.02 65.94 2b1x s SER 624 CO -0.02 -0.22 0.84 0.20 0.98 0.00 0.00 173.24 175.01 2b1x s ASN 625 N -1.77 7.36 -0.12 7.02 0.01 0.62 -1.16 114.94 126.89 2b1x s ASN 625 Ca -0.06 1.62 0.02 0.00 -0.71 0.00 0.00 52.86 53.72 2b1x s ASN 625 Cb -0.08 -2.52 0.01 0.00 0.41 0.00 0.00 41.25 39.07 2b1x s ASN 625 CO 0.00 0.04 -0.18 -0.22 -1.51 0.00 0.00 177.10 175.23 2b1x s LEU 626 N -0.32 1.86 -0.22 0.60 2.96 -0.14 -1.31 118.68 122.11 2b1x s LEU 626 Ca 0.41 -0.50 -0.03 0.00 -0.22 0.00 0.00 54.13 53.79 2b1x s LEU 626 Cb -0.22 -1.23 0.00 0.00 0.50 0.00 0.00 46.19 45.24 2b1x s LEU 626 CO 0.26 0.03 -0.07 -0.22 -1.32 0.00 0.00 176.35 175.03 2b1x s LEU 627 N 0.98 2.82 -0.24 -0.68 1.98 -0.13 -1.24 118.68 122.16 2b1x s LEU 627 Ca -0.06 -0.53 -0.07 0.00 -2.89 0.00 0.00 54.13 50.58 2b1x s LEU 627 Cb -0.15 -1.68 -0.03 0.00 0.66 0.00 0.00 46.19 45.00 2b1x s LEU 627 CO -0.03 -0.04 0.06 -0.22 -1.89 0.00 0.00 176.35 174.23 2b1x s LEU 628 N 1.42 3.40 -0.09 -0.68 2.96 0.98 -1.01 118.68 125.65 2b1x s LEU 628 Ca 0.05 -0.21 -0.05 0.00 -0.22 0.00 0.00 54.13 53.69 2b1x s LEU 628 Cb -0.14 -1.90 -0.04 0.00 0.50 0.00 0.00 46.19 44.60 2b1x s LEU 628 CO -0.05 -0.02 0.13 -0.47 -1.32 0.00 0.00 176.35 174.62 2b1x s TYR 629 N 1.51 3.54 -0.12 5.38 5.04 -0.43 -0.90 117.35 131.36 2b1x s TYR 629 Ca 0.06 0.45 -0.06 0.00 -2.44 0.00 0.00 57.07 55.08 2b1x s TYR 629 Cb -0.15 -1.89 0.05 0.00 0.35 0.00 0.00 41.96 40.32 2b1x s TYR 629 CO 0.03 0.69 0.27 0.50 -1.34 0.00 0.00 175.55 175.70 2b1x s ARG 630 N -1.24 0.21 0.16 4.97 3.52 -0.71 -1.66 118.95 124.19 2b1x s ARG 630 Ca 0.18 0.64 0.08 0.00 -0.13 0.00 0.00 55.73 56.50 2b1x s ARG 630 Cb -0.12 -0.07 -0.04 0.00 -1.56 0.00 0.00 34.95 33.16 2b1x s ARG 630 CO 0.07 -0.20 -0.17 0.95 -0.81 0.00 0.00 175.30 175.14 2b1x s THR 631 N 1.66 1.71 0.00 4.11 -4.23 -0.61 -1.41 115.64 116.87 2b1x s THR 631 Ca -0.06 -1.87 0.01 0.00 -1.18 0.00 0.00 61.69 58.58 2b1x s THR 631 Cb -0.11 -1.78 -0.01 0.00 1.34 0.00 0.00 72.50 71.95 2b1x s THR 631 CO -0.09 -0.34 -0.04 -0.13 -0.54 0.00 0.00 174.62 173.48 2b1x s ARG 632 N -2.77 0.29 3.63 3.99 0.52 -1.26 -1.38 118.95 121.96 2b1x s ARG 632 Ca 0.14 -0.23 0.00 0.00 -0.52 0.00 0.00 55.73 55.12 2b1x s ARG 632 Cb -0.05 -0.22 0.00 0.00 0.52 0.00 0.00 34.95 35.20 2b1x s ARG 632 CO 0.06 0.06 0.00 0.41 0.02 0.00 0.00 175.30 175.84 2b1x n GLY 633 N 2.71 0.82 0.57 -3.53 0.00 -1.26 -3.98 105.19 100.51 2b1x n GLY 633 Ca -0.15 -0.72 0.07 0.00 0.00 0.00 0.00 46.02 45.22 2b1x n GLY 633 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2b1x n ASP 634 N -2.56 3.09 -4.73 1.61 5.75 -1.26 -4.98 116.55 113.46 2b1x n ASP 634 Ca 0.00 -2.56 -0.41 0.00 -0.01 0.00 0.00 54.79 51.81 2b1x n ASP 634 Cb 0.00 -0.35 -0.04 0.00 -1.03 0.00 0.00 41.12 39.69 2b1x n ASP 634 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2b1x s VAL 635 N -2.00 4.26 -1.52 2.12 0.11 -1.26 -4.95 120.40 117.17 2b1x s VAL 635 Ca 0.29 1.91 -0.12 0.00 -2.93 0.00 0.00 61.98 61.13 2b1x s VAL 635 Cb 0.21 -4.22 -0.03 0.00 -1.53 0.00 0.00 36.38 30.81 2b1x s VAL 635 CO 0.09 0.31 2.60 0.00 -3.33 0.00 0.00 175.10 174.76 2b1x n ALA 636 N 2.62 6.52 -2.82 1.54 0.00 -1.26 -4.82 120.51 122.29 2b1x n ALA 636 Ca 0.02 -3.64 -0.10 0.00 0.00 0.00 0.00 53.44 49.73 2b1x n ALA 636 Cb 0.48 -3.45 -0.07 0.00 0.00 0.00 0.00 19.45 16.42 2b1x n ALA 636 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2b1x s THR 637 N 2.72 0.04 0.07 0.00 -1.32 -1.26 -5.18 115.64 110.70 2b1x s THR 637 Ca 0.59 -1.44 -0.23 0.00 -1.21 0.00 0.00 61.69 59.40 2b1x s THR 637 Cb 0.16 -2.01 0.06 0.00 -1.51 0.00 0.00 72.50 69.19 2b1x s THR 637 CO -0.07 -0.17 0.54 -0.72 -2.21 0.00 0.00 174.62 172.00 2b1x s TYR 638 N -4.00 -0.46 0.12 9.09 -0.85 -1.26 -4.69 117.35 115.29 2b1x s TYR 638 Ca 0.21 0.46 0.07 0.00 -0.52 0.00 0.00 57.07 57.28 2b1x s TYR 638 Cb 0.02 0.39 -0.04 0.00 0.38 0.00 0.00 41.96 42.72 2b1x s TYR 638 CO 0.04 -0.69 -0.05 -0.51 -1.52 0.00 0.00 175.55 172.81 2b1x s ASP 639 N -2.14 4.63 -0.08 -0.18 1.01 -0.50 -4.99 116.67 114.42 2b1x s ASP 639 Ca -0.04 -0.34 0.01 0.00 0.71 0.00 0.00 52.55 52.90 2b1x s ASP 639 Cb -0.00 -0.96 0.02 0.00 1.01 0.00 0.00 42.92 42.98 2b1x s ASP 639 CO -0.04 0.16 -0.11 -0.69 0.21 0.00 0.00 175.17 174.70 2b1x s VAL 640 N -1.35 1.10 -0.12 -1.27 1.01 -1.26 -1.74 120.40 116.77 2b1x s VAL 640 Ca 0.24 -0.42 -0.03 0.00 0.00 0.00 0.00 61.98 61.77 2b1x s VAL 640 Cb -0.11 -1.04 -0.03 0.00 0.00 0.00 0.00 36.38 35.20 2b1x s VAL 640 CO 0.16 0.36 -0.01 -0.76 0.00 0.00 0.00 175.10 174.85 2b1x s LEU 641 N 1.02 3.45 0.05 3.92 1.43 -0.08 -4.85 118.68 123.61 2b1x s LEU 641 Ca -0.08 0.02 0.08 0.00 -1.03 0.00 0.00 54.13 53.12 2b1x s LEU 641 Cb -0.15 -1.81 -0.03 0.00 0.03 0.00 0.00 46.19 44.23 2b1x s LEU 641 CO -0.00 0.27 -0.22 -0.55 0.23 0.00 0.00 176.35 176.08 2b1x s SER 642 N -0.25 2.64 -0.07 2.29 0.15 -1.26 -0.01 113.70 117.19 2b1x s SER 642 Ca 0.05 -0.55 -0.30 0.00 0.70 0.00 0.00 55.95 55.85 2b1x s SER 642 Cb -0.12 -0.22 0.10 0.00 -1.71 0.00 0.00 66.02 64.07 2b1x s SER 642 CO 0.02 0.17 1.35 -0.83 1.20 0.00 0.00 173.24 175.16 2b1x s GLY 643 N -1.26 -0.23 -0.10 9.45 0.00 -0.38 -1.20 107.32 113.60 2b1x s GLY 643 Ca 0.08 0.23 0.02 0.00 0.00 0.00 0.00 44.72 45.05 2b1x s GLY 643 CO 0.02 5.57 -0.17 1.85 0.00 0.00 0.00 173.10 180.37 2b1x s GLU 644 N -2.03 3.10 -0.21 2.90 2.12 0.12 -0.97 118.70 123.74 2b1x s GLU 644 Ca 0.29 -0.75 -0.07 0.00 0.36 0.00 0.00 54.97 54.80 2b1x s GLU 644 Cb 0.01 -2.48 -0.04 0.00 0.26 0.00 0.00 34.13 31.88 2b1x s GLU 644 CO -0.03 0.29 0.06 1.03 -0.54 0.00 0.00 175.26 176.07 2b1x s ARG 645 N 0.12 3.83 -0.23 4.30 0.52 -0.31 -0.62 118.95 126.56 2b1x s ARG 645 Ca -0.08 -0.41 -0.04 0.00 -0.52 0.00 0.00 55.73 54.68 2b1x s ARG 645 Cb -0.15 -3.23 0.00 0.00 0.52 0.00 0.00 34.95 32.09 2b1x s ARG 645 CO 0.05 0.10 -0.04 0.99 0.02 0.00 0.00 175.30 176.42 2b1x s THR 646 N 0.84 3.28 0.20 0.02 2.01 -0.33 -1.23 115.64 120.43 2b1x s THR 646 Ca 0.03 -0.62 0.11 0.00 0.31 0.00 0.00 61.69 61.53 2b1x s THR 646 Cb -0.14 -2.54 -0.04 0.00 0.01 0.00 0.00 72.50 69.79 2b1x s THR 646 CO 0.02 0.36 -0.22 -1.81 -0.69 0.00 0.00 174.62 172.29 2b1x s ASP 647 N 1.45 3.56 -0.22 3.53 1.01 0.81 -0.64 116.67 126.17 2b1x s ASP 647 Ca 0.05 -0.85 -0.02 0.00 0.71 0.00 0.00 52.55 52.44 2b1x s ASP 647 Cb -0.15 -0.32 0.01 0.00 1.01 0.00 0.00 42.92 43.48 2b1x s ASP 647 CO -0.03 0.11 -0.09 -0.69 0.21 0.00 0.00 175.17 174.67 2b1x s VAL 648 N -1.78 2.82 -0.06 -1.27 1.01 -0.41 -1.46 120.40 119.25 2b1x s VAL 648 Ca 0.22 -0.83 -0.02 0.00 0.00 0.00 0.00 61.98 61.35 2b1x s VAL 648 Cb -0.08 -2.33 -0.04 0.00 0.00 0.00 0.00 36.38 33.94 2b1x s VAL 648 CO 0.11 0.36 0.07 -0.76 0.00 0.00 0.00 175.10 174.88 2b1x s LEU 649 N 1.36 3.89 -0.07 3.92 1.02 -0.21 -1.21 118.68 127.39 2b1x s LEU 649 Ca 0.03 0.22 0.05 0.00 0.02 0.00 0.00 54.13 54.45 2b1x s LEU 649 Cb -0.15 -2.07 -0.01 0.00 0.02 0.00 0.00 46.19 43.99 2b1x s LEU 649 CO -0.06 0.34 -0.24 -0.13 0.02 0.00 0.00 176.35 176.28 2b1x s ARG 650 N -1.28 2.64 0.35 1.70 0.52 0.99 -0.49 118.95 123.38 2b1x s ARG 650 Ca 0.18 -0.86 -0.29 0.00 -0.52 0.00 0.00 55.73 54.24 2b1x s ARG 650 Cb -0.12 -2.14 -0.11 0.00 0.52 0.00 0.00 34.95 33.10 2b1x s ARG 650 CO 0.08 0.29 1.50 0.54 0.02 0.00 0.00 175.30 177.73 2b1x n ARG 651 N 3.19 2.63 -3.35 3.54 1.74 0.21 -0.07 116.66 124.55 2b1x n ARG 651 Ca -0.18 0.93 -0.08 0.00 -0.77 0.00 0.00 57.85 57.74 2b1x n ARG 651 Cb 0.52 -2.66 -0.08 0.00 -1.02 0.00 0.00 32.46 29.23 2b1x n ARG 651 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2b1x s ALA 652 N -0.80 -1.15 0.00 7.54 0.00 -0.31 -4.78 121.76 122.26 2b1x s ALA 652 Ca 0.57 0.97 0.00 0.00 0.00 0.00 0.00 51.96 53.50 2b1x s ALA 652 Cb -0.49 -1.69 0.00 0.00 0.00 0.00 0.00 23.12 20.94 2b1x s ALA 652 CO 0.59 -1.25 0.00 0.41 0.00 0.00 0.00 175.76 175.51 2b1x n GLY 653 N 5.37 4.06 1.36 0.00 0.00 -1.26 -1.57 105.19 113.14 2b1x n GLY 653 Ca -0.04 0.04 0.11 0.00 0.00 0.00 0.00 46.02 46.14 2b1x n GLY 653 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2b1x n ASP 654 N 7.25 4.03 0.00 1.61 5.75 -1.26 -4.96 116.55 128.98 2b1x n ASP 654 Ca 0.00 -2.06 0.00 0.00 -0.01 0.00 0.00 54.79 52.72 2b1x n ASP 654 Cb 0.00 -0.49 0.00 0.00 -1.03 0.00 0.00 41.12 39.60 2b1x n ASP 654 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 2b1x n SER 655 N 1.54 0.00 -4.06 -1.12 2.88 -0.61 -5.18 113.62 107.07 2b1x n SER 655 Ca 0.24 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.69 2b1x n SER 655 Cb 0.65 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 64.01 2b1x n SER 655 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 2b1x s PHE 656 N 1.60 0.49 0.10 0.66 0.40 -1.26 -1.16 117.98 118.81 2b1x s PHE 656 Ca 0.00 -0.77 0.08 0.00 -0.60 0.00 0.00 56.93 55.64 2b1x s PHE 656 Cb 0.00 -0.33 -0.03 0.00 0.51 0.00 0.00 43.02 43.16 2b1x s PHE 656 CO 0.00 -0.24 -0.21 -0.51 0.70 0.00 0.00 175.22 174.96 2b1x s LEU 657 N -2.22 2.28 -0.29 -0.37 1.02 0.90 -4.83 118.68 115.18 2b1x s LEU 657 Ca -0.03 -0.67 -0.19 0.00 0.02 0.00 0.00 54.13 53.26 2b1x s LEU 657 Cb -0.01 -0.88 -0.02 0.00 0.02 0.00 0.00 46.19 45.30 2b1x s LEU 657 CO -0.05 0.07 0.57 -0.32 0.02 0.00 0.00 176.35 176.64 2b1x s MET 658 N -1.82 3.96 -0.05 1.70 -2.45 0.43 -0.00 119.30 121.06 2b1x s MET 658 Ca 0.06 0.28 0.15 0.00 -1.25 0.00 0.00 55.69 54.94 2b1x s MET 658 Cb -0.10 -3.70 -0.21 0.00 1.25 0.00 0.00 34.83 32.07 2b1x s MET 658 CO 0.04 -0.47 0.57 0.00 1.05 0.00 0.00 175.02 176.21 2b1x n ALA 659 N 5.71 1.66 -3.39 4.11 0.00 -0.35 -1.30 120.51 126.96 2b1x n ALA 659 Ca -0.03 -0.82 -0.14 0.00 0.00 0.00 0.00 53.44 52.45 2b1x n ALA 659 Cb 0.49 -0.73 -0.08 0.00 0.00 0.00 0.00 19.45 19.13 2b1x n ALA 659 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2b1x s LYS 660 N -2.70 0.70 -0.12 0.00 2.20 -1.10 -1.64 119.74 117.07 2b1x s LYS 660 Ca -0.05 0.39 -0.08 0.00 -0.36 0.00 0.00 55.97 55.87 2b1x s LYS 660 Cb 0.08 0.33 0.04 0.00 -1.51 0.00 0.00 37.83 36.78 2b1x s LYS 660 CO 0.83 -0.15 0.31 0.50 -0.36 0.00 0.00 175.35 176.47 2b1x s ARG 661 N -0.42 0.30 -0.19 4.03 3.52 0.02 -1.29 118.95 124.92 2b1x s ARG 661 Ca -0.06 0.57 -0.01 0.00 -0.13 0.00 0.00 55.73 56.10 2b1x s ARG 661 Cb -0.03 -0.01 0.00 0.00 -1.56 0.00 0.00 34.95 33.34 2b1x s ARG 661 CO 0.03 -0.13 -0.12 0.08 -0.81 0.00 0.00 175.30 174.35 2b1x s VAL 662 N 0.99 2.76 -0.43 7.11 1.01 0.19 -0.84 120.40 131.20 2b1x s VAL 662 Ca -0.07 -0.71 -0.12 0.00 0.00 0.00 0.00 61.98 61.08 2b1x s VAL 662 Cb -0.08 -2.20 0.07 0.00 0.00 0.00 0.00 36.38 34.17 2b1x s VAL 662 CO -0.07 0.49 0.31 -0.69 0.00 0.00 0.00 175.10 175.13 2b1x s VAL 663 N 1.20 4.70 -0.48 2.92 1.01 0.01 -1.19 120.40 128.57 2b1x s VAL 663 Ca 0.02 -1.18 -0.18 0.00 0.00 0.00 0.00 61.98 60.64 2b1x s VAL 663 Cb -0.14 -3.81 0.05 0.00 0.00 0.00 0.00 36.38 32.48 2b1x s VAL 663 CO -0.05 -0.50 0.56 -0.22 0.00 0.00 0.00 175.10 174.89 2b1x s LEU 664 N 1.53 4.97 0.31 3.92 2.96 0.21 -3.86 118.68 128.73 2b1x s LEU 664 Ca 0.03 -0.85 -0.22 0.00 -0.22 0.00 0.00 54.13 52.87 2b1x s LEU 664 Cb -0.23 -2.43 -0.10 0.00 0.50 0.00 0.00 46.19 43.93 2b1x s LEU 664 CO 0.05 -0.79 0.86 -0.76 -1.32 0.00 0.00 176.35 174.39 2b1x s LEU 665 N 2.44 4.25 0.00 -0.68 1.43 -1.26 -0.70 118.68 124.16 2b1x s LEU 665 Ca 0.14 1.64 -0.02 0.00 -1.03 0.00 0.00 54.13 54.86 2b1x s LEU 665 Cb -0.19 -3.99 -0.10 0.00 0.03 0.00 0.00 46.19 41.94 2b1x s LEU 665 CO 0.12 -0.10 2.35 0.47 0.23 0.00 0.00 176.35 179.42 2b1x n ASP 666 N 0.32 4.55 -3.86 2.29 8.00 -0.34 -4.81 116.55 122.70 2b1x n ASP 666 Ca 0.02 -2.27 -0.10 0.00 0.71 0.00 0.00 54.79 53.15 2b1x n ASP 666 Cb 0.51 -1.08 -0.09 0.00 -0.02 0.00 0.00 41.12 40.45 2b1x n ASP 666 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 2b1x s GLN 667 N 0.71 0.66 -0.03 -1.24 -0.21 -1.26 -4.97 119.66 113.32 2b1x s GLN 667 Ca 0.25 -0.64 -0.04 0.00 0.02 0.00 0.00 55.36 54.95 2b1x s GLN 667 Cb 0.12 0.27 -0.01 0.00 1.00 0.00 0.00 33.01 34.39 2b1x s GLN 667 CO 0.00 -0.19 -0.07 0.25 -2.12 0.00 0.00 175.29 173.16 2b1x n THR 668 N 0.74 0.44 -2.06 -0.19 -2.24 -1.26 -4.52 114.28 105.19 2b1x n THR 668 Ca -0.19 0.30 -0.42 0.00 -2.27 0.00 0.00 64.05 61.46 2b1x n THR 668 Cb 0.59 -1.57 -0.03 0.00 -2.10 0.00 0.00 70.33 67.22 2b1x n THR 668 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2b1x s THR 669 N -1.50 3.66 0.16 4.28 2.01 -1.26 -4.70 115.64 118.29 2b1x s THR 669 Ca -0.06 0.79 -0.30 0.00 0.31 0.00 0.00 61.69 62.43 2b1x s THR 669 Cb 0.01 -3.53 -0.07 0.00 0.01 0.00 0.00 72.50 68.91 2b1x s THR 669 CO 0.09 -0.10 1.06 -0.63 -0.69 0.00 0.00 174.62 174.35 2b1x s ILE 670 N 4.18 4.02 -0.81 1.82 -1.09 -1.26 -4.96 121.20 123.10 2b1x s ILE 670 Ca 0.72 1.73 -0.01 0.00 -2.23 0.00 0.00 60.65 60.86 2b1x s ILE 670 Cb -0.31 -4.11 0.36 0.00 -1.58 0.00 0.00 42.46 36.82 2b1x s ILE 670 CO 0.28 0.29 1.88 0.23 -1.23 0.00 0.00 174.94 176.40 2b1x n MET 671 N 2.46 3.06 -3.65 2.79 2.81 -1.26 -4.87 117.12 118.47 2b1x n MET 671 Ca 0.03 -3.75 -0.11 0.00 -1.81 0.00 0.00 57.70 52.05 2b1x n MET 671 Cb 0.47 -2.28 -0.05 0.00 -0.71 0.00 0.00 33.22 30.65 2b1x n MET 671 CO 0.00 0.00 0.00 -0.08 1.51 0.00 0.00 175.97 177.40 2b1x s THR 672 N -5.07 0.07 -1.08 2.03 -1.32 -1.26 -4.50 115.64 104.50 2b1x s THR 672 Ca 0.50 -0.58 0.28 0.00 -1.21 0.00 0.00 61.69 60.69 2b1x s THR 672 Cb 0.41 -1.14 0.24 0.00 -1.51 0.00 0.00 72.50 70.50 2b1x s THR 672 CO -0.36 -0.32 1.84 0.00 -2.21 0.00 0.00 174.62 173.56 2b1x n HIS 673 N -0.11 0.00 -3.63 9.09 1.44 -1.26 -4.87 115.22 115.88 2b1x n HIS 673 Ca -0.16 0.00 -0.06 0.00 -2.01 0.00 0.00 57.72 55.49 2b1x n HIS 673 Cb 0.63 -0.41 -0.02 0.00 0.12 0.00 0.00 29.99 30.31 2b1x n HIS 673 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 2b1x s ASN 674 N -2.93 -0.26 -0.92 4.39 2.20 -1.26 -5.04 114.94 111.13 2b1x s ASN 674 Ca 0.16 -0.20 -0.00 0.00 -0.94 0.00 0.00 52.86 51.88 2b1x s ASN 674 Cb 0.19 0.42 0.31 0.00 -2.00 0.00 0.00 41.25 40.17 2b1x s ASN 674 CO 0.55 -0.74 1.38 0.18 -2.94 0.00 0.00 177.10 175.54 2b1x n LEU 675 N -0.36 5.97 0.15 3.54 4.77 -1.26 -4.73 117.00 125.08 2b1x n LEU 675 Ca -0.07 -5.38 0.12 0.00 -0.03 0.00 0.00 56.01 50.66 2b1x n LEU 675 Cb 0.61 -1.04 0.25 0.00 -2.33 0.00 0.00 43.42 40.92 2b1x n LEU 675 CO 0.12 1.96 0.75 0.00 -1.33 0.00 0.00 177.39 178.89 2b1x h ALA 676 N 4.51 0.93 -2.85 -1.18 0.00 -1.96 -3.45 119.26 115.26 2b1x h ALA 676 Ca 0.29 0.00 -0.64 0.00 0.00 0.00 0.00 54.91 54.56 2b1x h ALA 676 Cb 0.52 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.22 2b1x h ALA 676 CO 1.13 0.00 -0.44 -0.51 0.00 0.00 0.00 179.25 179.43 2b1x s LEU 677 N -5.32 4.34 0.15 0.00 1.43 -1.26 -5.03 118.68 112.99 2b1x s LEU 677 Ca 0.08 0.45 -0.30 0.00 -1.03 0.00 0.00 54.13 53.33 2b1x s LEU 677 Cb 0.09 -2.15 -0.07 0.00 0.03 0.00 0.00 46.19 44.09 2b1x s LEU 677 CO 0.65 0.31 1.19 -0.63 0.23 0.00 0.00 176.35 178.10 2b1x s ILE 678 N -0.53 3.71 -2.41 -0.59 1.01 -1.26 -5.21 121.20 115.91 2b1x s ILE 678 Ca 0.14 1.39 0.19 0.00 0.00 0.00 0.00 60.65 62.37 2b1x s ILE 678 Cb -0.12 -3.89 0.15 0.00 0.01 0.00 0.00 42.46 38.62 2b1x s ILE 678 CO 0.03 0.19 1.11 0.23 0.00 0.00 0.00 174.94 176.51