#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k23 h LEU 528 N 0.00 -0.84 -7.24 1.08 3.38 -2.08 -3.43 115.31 106.18 3k23 h LEU 528 Ca 0.00 0.04 -0.14 0.00 0.09 0.00 0.00 57.88 57.87 3k23 h LEU 528 Cb 0.00 0.23 -0.28 0.00 0.09 0.00 0.00 40.66 40.71 3k23 h LEU 528 CO 0.00 -0.55 -0.36 0.42 0.09 0.00 0.00 178.44 178.05 3k23 s THR 529 N -5.04 -0.11 0.10 0.22 -4.23 -1.26 -5.13 115.64 100.19 3k23 s THR 529 Ca -0.13 0.12 -0.31 0.00 -1.18 0.00 0.00 61.69 60.19 3k23 s THR 529 Cb 0.02 -0.56 -0.08 0.00 1.34 0.00 0.00 72.50 73.22 3k23 s THR 529 CO 0.41 0.05 1.52 -2.16 -0.54 0.00 0.00 174.62 173.91 3k23 s PRO 530 N 1.54 4.25 0.18 3.99 0.04 -1.26 -4.99 135.00 138.74 3k23 s PRO 530 Ca -0.08 2.22 0.04 0.00 0.04 0.00 0.00 61.00 63.21 3k23 s PRO 530 Cb -0.09 -3.36 -0.03 0.00 0.04 0.00 0.00 34.50 31.05 3k23 s PRO 530 CO -0.12 -0.59 0.28 0.95 0.04 0.00 0.00 177.00 177.56 3k23 s THR 531 N 1.73 5.16 0.27 1.26 -4.23 -1.26 -4.96 115.64 113.61 3k23 s THR 531 Ca 0.69 -0.84 -0.08 0.00 -1.18 0.00 0.00 61.69 60.27 3k23 s THR 531 Cb -0.39 -3.69 0.43 0.00 1.34 0.00 0.00 72.50 70.18 3k23 s THR 531 CO 0.31 -0.16 1.50 -0.11 -0.54 0.00 0.00 174.62 175.61 3k23 n LEU 532 N -0.74 -0.37 0.17 4.79 7.94 -1.26 0.10 117.00 127.63 3k23 n LEU 532 Ca -0.08 1.65 0.02 0.00 -1.11 0.00 0.00 56.01 56.49 3k23 n LEU 532 Cb 0.55 -0.49 0.29 0.00 0.53 0.00 0.00 43.42 44.30 3k23 n LEU 532 CO 0.47 -1.58 0.63 1.62 -1.11 0.00 0.00 177.39 177.42 3k23 h VAL 533 N 0.00 1.27 -0.03 1.96 3.04 -1.94 -2.28 116.25 118.26 3k23 h VAL 533 Ca 0.45 -1.65 -0.16 0.00 -1.01 0.00 0.00 66.70 64.34 3k23 h VAL 533 Cb 0.69 1.90 -0.01 0.00 -2.01 0.00 0.00 31.29 31.86 3k23 h VAL 533 CO -0.99 0.46 -0.69 0.77 -1.01 0.00 0.00 177.57 176.11 3k23 h SER 534 N 0.00 0.21 0.45 3.17 4.64 -0.72 -0.49 113.55 120.81 3k23 h SER 534 Ca -0.00 -0.14 -0.02 0.00 -0.47 0.00 0.00 61.79 61.16 3k23 h SER 534 Cb 0.87 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.90 3k23 h SER 534 CO 0.06 0.84 -0.22 0.25 -0.87 0.00 0.00 176.83 176.89 3k23 h LEU 535 N 0.12 -0.51 -0.70 5.97 6.46 -1.02 -2.99 115.31 122.64 3k23 h LEU 535 Ca -0.02 -0.02 0.14 0.00 -0.12 0.00 0.00 57.88 57.87 3k23 h LEU 535 Cb 1.24 0.13 -0.13 0.00 -0.73 0.00 0.00 40.66 41.16 3k23 h LEU 535 CO 0.10 -0.32 -0.19 -0.07 -0.62 0.00 0.00 178.44 177.34 3k23 h LEU 536 N -0.67 -0.72 -1.39 2.25 3.38 -1.21 0.49 115.31 117.44 3k23 h LEU 536 Ca -0.06 0.22 0.19 0.00 0.09 0.00 0.00 57.88 58.31 3k23 h LEU 536 Cb 0.50 0.46 -0.07 0.00 0.09 0.00 0.00 40.66 41.63 3k23 h LEU 536 CO 0.10 -0.24 0.59 -0.08 0.09 0.00 0.00 178.44 178.90 3k23 h GLU 537 N -0.02 0.50 0.00 1.13 4.81 -0.95 -1.03 114.58 119.02 3k23 h GLU 537 Ca 0.33 -0.03 -0.21 0.00 -0.13 0.00 0.00 59.36 59.32 3k23 h GLU 537 Cb 0.52 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.76 3k23 h GLU 537 CO -0.73 0.33 -1.17 -0.39 -0.73 0.00 0.00 179.01 176.32 3k23 h VAL 538 N 0.52 1.21 -0.12 0.32 -1.51 -0.82 -3.31 116.25 112.54 3k23 h VAL 538 Ca 0.48 -2.88 0.00 0.00 -1.23 0.00 0.00 66.70 63.06 3k23 h VAL 538 Cb 1.02 2.57 0.00 0.00 -2.13 0.00 0.00 31.29 32.76 3k23 h VAL 538 CO -0.21 0.69 0.00 2.30 -1.23 0.00 0.00 177.57 179.12 3k23 n ILE 539 N -3.19 0.15 -1.97 7.19 -5.35 -0.42 -4.90 119.36 110.88 3k23 n ILE 539 Ca -0.06 -0.28 -0.42 0.00 -0.27 0.00 0.00 62.75 61.72 3k23 n ILE 539 Cb 0.93 0.28 -0.03 0.00 -1.74 0.00 0.00 39.64 39.08 3k23 n ILE 539 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 3k23 s GLU 540 N -1.85 4.21 0.62 6.28 2.56 -1.02 -4.76 118.70 124.75 3k23 s GLU 540 Ca 0.33 2.29 -0.17 0.00 0.00 0.00 0.00 54.97 57.41 3k23 s GLU 540 Cb 0.17 -3.51 -0.07 0.00 2.00 0.00 0.00 34.13 32.72 3k23 s GLU 540 CO 0.27 -0.69 0.55 -2.30 -0.56 0.00 0.00 175.26 172.53 3k23 n PRO 541 N 5.24 0.47 -1.46 4.30 -0.02 -1.26 -4.98 135.00 137.29 3k23 n PRO 541 Ca 0.15 0.19 -0.29 0.00 -2.02 0.00 0.00 63.50 61.53 3k23 n PRO 541 Cb 0.41 -1.77 0.13 0.00 -0.02 0.00 0.00 33.50 32.25 3k23 n PRO 541 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 3k23 s GLU 542 N -2.35 1.23 -0.10 -0.52 1.03 -1.26 -5.01 118.70 111.72 3k23 s GLU 542 Ca 0.68 0.43 -0.22 0.00 0.03 0.00 0.00 54.97 55.89 3k23 s GLU 542 Cb -0.41 -1.84 -0.04 0.00 -0.80 0.00 0.00 34.13 31.05 3k23 s GLU 542 CO 0.55 -2.17 0.64 0.54 -1.33 0.00 0.00 175.26 173.49 3k23 s VAL 543 N -3.18 5.07 0.25 1.83 0.11 -1.26 -5.06 120.40 118.16 3k23 s VAL 543 Ca 0.63 1.29 -0.06 0.00 -2.93 0.00 0.00 61.98 60.91 3k23 s VAL 543 Cb -0.15 -3.97 -0.06 0.00 -1.53 0.00 0.00 36.38 30.66 3k23 s VAL 543 CO 0.54 0.24 0.53 -0.76 -3.33 0.00 0.00 175.10 172.32 3k23 s LEU 544 N 0.98 4.11 -0.27 2.54 1.43 -1.26 -5.06 118.68 121.15 3k23 s LEU 544 Ca 0.33 0.75 -0.05 0.00 -1.03 0.00 0.00 54.13 54.13 3k23 s LEU 544 Cb -0.17 -3.54 0.01 0.00 0.03 0.00 0.00 46.19 42.52 3k23 s LEU 544 CO 0.15 -0.13 0.03 -0.31 0.23 0.00 0.00 176.35 176.32 3k23 s TYR 545 N -1.96 3.11 -0.20 0.29 1.51 -1.26 -4.42 117.35 114.43 3k23 s TYR 545 Ca 0.44 -1.10 0.24 0.00 -1.01 0.00 0.00 57.07 55.65 3k23 s TYR 545 Cb -0.11 -2.19 1.22 0.00 -0.11 0.00 0.00 41.96 40.77 3k23 s TYR 545 CO 0.27 -0.60 1.73 0.00 -1.11 0.00 0.00 175.55 175.84 3k23 h ALA 546 N 8.17 1.00 -0.56 3.71 0.00 -1.94 -3.46 119.26 126.17 3k23 h ALA 546 Ca -0.33 0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.34 3k23 h ALA 546 Cb 1.13 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 18.82 3k23 h ALA 546 CO 0.59 0.00 -0.22 0.41 0.00 0.00 0.00 179.25 180.03 3k23 n GLY 547 N -0.95 1.26 3.67 0.00 0.00 -1.26 -4.87 105.19 103.03 3k23 n GLY 547 Ca -0.01 -0.31 -0.43 0.00 0.00 0.00 0.00 46.02 45.28 3k23 n GLY 547 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3k23 s TYR 548 N -2.33 3.02 0.02 1.61 5.04 -1.26 -5.00 117.35 118.45 3k23 s TYR 548 Ca 0.00 1.13 -0.29 0.00 -2.44 0.00 0.00 57.07 55.47 3k23 s TYR 548 Cb 0.00 -3.45 -0.04 0.00 0.35 0.00 0.00 41.96 38.82 3k23 s TYR 548 CO 0.00 -1.44 0.92 0.34 -1.34 0.00 0.00 175.55 174.03 3k23 s ASP 549 N 1.71 7.33 -0.09 4.32 -1.08 -1.26 -4.81 116.67 122.79 3k23 s ASP 549 Ca 0.54 1.61 0.15 0.00 -0.52 0.00 0.00 52.55 54.33 3k23 s ASP 549 Cb -0.22 -2.54 0.53 0.00 -1.46 0.00 0.00 42.92 39.22 3k23 s ASP 549 CO 0.17 -0.18 1.44 -1.20 0.52 0.00 0.00 175.17 175.93 3k23 n SER 550 N 3.55 3.89 0.05 -0.34 7.64 -1.26 -4.60 113.62 122.55 3k23 n SER 550 Ca 0.03 -2.46 -0.08 0.00 1.01 0.00 0.00 58.87 57.38 3k23 n SER 550 Cb 0.51 -0.45 -0.13 0.00 -1.01 0.00 0.00 64.21 63.13 3k23 n SER 550 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 3k23 h SER 551 N 2.73 0.03 -3.03 6.43 4.64 -2.02 -3.46 113.55 118.88 3k23 h SER 551 Ca 0.00 -0.04 -0.45 0.00 -0.47 0.00 0.00 61.79 60.83 3k23 h SER 551 Cb 1.20 -0.01 0.07 0.00 -0.31 0.00 0.00 62.40 63.35 3k23 h SER 551 CO 0.15 1.03 0.11 0.68 -0.87 0.00 0.00 176.83 177.94 3k23 s VAL 552 N -2.68 2.39 0.37 0.95 -7.23 -1.26 -5.05 120.40 107.89 3k23 s VAL 552 Ca -0.01 -0.46 -0.27 0.00 -1.81 0.00 0.00 61.98 59.43 3k23 s VAL 552 Cb 0.09 -2.93 -0.09 0.00 0.56 0.00 0.00 36.38 34.01 3k23 s VAL 552 CO 0.83 0.00 1.23 -2.84 -0.31 0.00 0.00 175.10 174.01 3k23 s PRO 553 N -5.07 4.17 1.28 4.82 0.02 -1.26 -5.00 135.00 133.96 3k23 s PRO 553 Ca 0.61 2.02 -0.19 0.00 0.02 0.00 0.00 61.00 63.45 3k23 s PRO 553 Cb -0.09 -2.85 0.31 0.00 0.02 0.00 0.00 34.50 31.89 3k23 s PRO 553 CO 0.42 -0.28 1.03 -0.51 -0.33 0.00 0.00 177.00 177.33 3k23 s ASP 554 N -0.83 0.21 -0.27 2.53 1.01 -1.26 -5.08 116.67 112.98 3k23 s ASP 554 Ca 0.54 0.85 -0.26 0.00 0.71 0.00 0.00 52.55 54.39 3k23 s ASP 554 Cb -0.35 -1.24 0.13 0.00 1.01 0.00 0.00 42.92 42.47 3k23 s ASP 554 CO 0.45 -4.58 1.08 -0.55 0.21 0.00 0.00 175.17 171.78 3k23 s SER 555 N -3.40 -0.39 0.30 0.27 0.15 -1.26 -5.03 113.70 104.34 3k23 s SER 555 Ca 0.69 0.71 -0.01 0.00 0.70 0.00 0.00 55.95 58.04 3k23 s SER 555 Cb -0.13 0.71 0.47 0.00 -1.71 0.00 0.00 66.02 65.36 3k23 s SER 555 CO 0.58 -0.16 1.96 0.74 1.20 0.00 0.00 173.24 177.56 3k23 h THR 556 N 3.40 1.17 0.69 6.45 2.02 -1.98 -1.50 112.91 123.16 3k23 h THR 556 Ca -0.27 -0.37 -0.03 0.00 0.77 0.00 0.00 66.41 66.51 3k23 h THR 556 Cb 1.18 -0.01 0.01 0.00 -1.74 0.00 0.00 68.15 67.59 3k23 h THR 556 CO 0.14 0.20 -0.33 -0.25 0.37 0.00 0.00 175.52 175.65 3k23 h TRP 557 N 1.09 -0.86 -0.76 3.16 7.01 -1.96 -1.82 115.95 121.80 3k23 h TRP 557 Ca 0.32 -0.02 0.04 0.00 2.11 0.00 0.00 58.89 61.34 3k23 h TRP 557 Cb -0.04 0.28 -0.04 0.00 -2.10 0.00 0.00 29.16 27.26 3k23 h TRP 557 CO -0.00 -0.51 0.50 -0.09 -2.79 0.00 0.00 178.44 175.55 3k23 h ARG 558 N -1.07 0.88 -0.09 2.65 2.43 -1.93 -1.57 114.38 115.67 3k23 h ARG 558 Ca -0.09 -0.05 -0.18 0.00 -0.81 0.00 0.00 59.98 58.85 3k23 h ARG 558 Cb 0.74 -0.20 0.01 0.00 -0.42 0.00 0.00 29.97 30.10 3k23 h ARG 558 CO 0.16 0.58 -0.63 0.82 -1.51 0.00 0.00 179.97 179.38 3k23 h ILE 559 N 0.90 1.35 -0.13 1.20 2.04 -1.23 -1.72 117.51 119.92 3k23 h ILE 559 Ca 0.31 -1.94 -0.07 0.00 1.00 0.00 0.00 64.86 64.16 3k23 h ILE 559 Cb 0.09 2.23 -0.00 0.00 -0.74 0.00 0.00 36.82 38.40 3k23 h ILE 559 CO -0.09 0.59 -0.18 0.24 0.00 0.00 0.00 178.15 178.70 3k23 h MET 560 N 0.20 0.36 -0.64 2.37 2.86 -1.14 -0.67 114.93 118.26 3k23 h MET 560 Ca -0.05 -0.21 0.11 0.00 -2.06 0.00 0.00 59.70 57.49 3k23 h MET 560 Cb 1.28 0.02 -0.08 0.00 0.06 0.00 0.00 31.60 32.88 3k23 h MET 560 CO 0.13 0.78 0.21 1.15 1.06 0.00 0.00 176.91 180.24 3k23 h THR 561 N -0.04 0.69 -0.37 2.22 2.02 -1.38 0.26 112.91 116.31 3k23 h THR 561 Ca 0.01 -0.12 -0.01 0.00 0.77 0.00 0.00 66.41 67.06 3k23 h THR 561 Cb 0.74 0.30 -0.02 0.00 -1.74 0.00 0.00 68.15 67.43 3k23 h THR 561 CO 0.04 0.07 0.19 0.74 0.37 0.00 0.00 175.52 176.92 3k23 h THR 562 N 0.36 1.16 -0.47 3.16 2.02 -1.24 -1.33 112.91 116.57 3k23 h THR 562 Ca 0.34 -0.46 -0.02 0.00 0.77 0.00 0.00 66.41 67.05 3k23 h THR 562 Cb 0.48 0.78 -0.02 0.00 -1.74 0.00 0.00 68.15 67.65 3k23 h THR 562 CO -0.37 0.17 0.22 -0.07 0.37 0.00 0.00 175.52 175.85 3k23 h LEU 563 N 0.47 0.58 -0.03 2.58 3.38 0.26 0.45 115.31 123.00 3k23 h LEU 563 Ca 0.13 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 3k23 h LEU 563 Cb 0.11 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 3k23 h LEU 563 CO -0.02 0.50 -0.01 0.78 0.09 0.00 0.00 178.44 179.78 3k23 h ASN 564 N 0.66 0.06 -0.73 -0.43 4.21 -0.33 0.42 115.58 119.43 3k23 h ASN 564 Ca 0.17 -0.39 0.05 0.00 1.21 0.00 0.00 56.30 57.33 3k23 h ASN 564 Cb 0.07 -0.02 -0.05 0.00 -1.12 0.00 0.00 38.32 37.20 3k23 h ASN 564 CO -0.02 0.44 0.44 0.24 -1.29 0.00 0.00 177.43 177.24 3k23 h MET 565 N -0.32 0.80 0.23 0.81 2.86 -0.70 -0.68 114.93 117.93 3k23 h MET 565 Ca 0.01 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.59 3k23 h MET 565 Cb 0.42 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 31.90 3k23 h MET 565 CO 0.00 0.53 -0.11 1.25 1.06 0.00 0.00 176.91 179.64 3k23 h LEU 566 N 0.82 -0.26 -1.65 1.22 5.85 -0.02 -3.02 115.31 118.25 3k23 h LEU 566 Ca 0.32 -0.10 0.05 0.00 0.84 0.00 0.00 57.88 58.98 3k23 h LEU 566 Cb 0.13 0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 3k23 h LEU 566 CO -0.16 -0.05 0.31 1.23 -0.34 0.00 0.00 178.44 179.43 3k23 h GLY 567 N -0.46 0.52 0.81 3.75 0.00 0.03 0.29 103.07 108.02 3k23 h GLY 567 Ca -0.03 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.13 3k23 h GLY 567 CO 0.05 0.14 -0.15 -1.33 0.00 0.00 0.00 176.54 175.25 3k23 h GLY 568 N 0.44 -0.33 1.21 4.60 0.00 -1.08 0.82 103.07 108.72 3k23 h GLY 568 Ca 0.20 0.18 -0.10 0.00 0.00 0.00 0.00 47.33 47.61 3k23 h GLY 568 CO -0.05 -0.15 -0.06 3.21 0.00 0.00 0.00 176.54 179.48 3k23 h ARG 569 N -0.34 0.94 -0.67 4.80 3.08 -1.02 0.13 114.38 121.30 3k23 h ARG 569 Ca 0.00 -0.31 0.00 0.00 0.07 0.00 0.00 59.98 59.74 3k23 h ARG 569 Cb 0.32 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.26 3k23 h ARG 569 CO -0.04 0.97 0.41 0.37 -1.07 0.00 0.00 179.97 180.61 3k23 h GLN 570 N 0.85 0.89 0.04 0.04 5.75 -0.21 0.22 115.11 122.69 3k23 h GLN 570 Ca 0.15 -0.07 -0.22 0.00 -0.15 0.00 0.00 58.65 58.36 3k23 h GLN 570 Cb 0.59 -0.19 -0.01 0.00 1.07 0.00 0.00 27.48 28.94 3k23 h GLN 570 CO 0.04 0.61 -1.01 0.28 -2.65 0.00 0.00 178.83 176.10 3k23 h VAL 571 N 0.91 1.55 -0.97 2.39 2.07 0.19 -1.70 116.25 120.69 3k23 h VAL 571 Ca 0.24 -2.95 0.01 0.00 0.82 0.00 0.00 66.70 64.82 3k23 h VAL 571 Cb -0.06 2.70 -0.05 0.00 -1.52 0.00 0.00 31.29 32.36 3k23 h VAL 571 CO -0.05 0.85 0.64 0.40 0.02 0.00 0.00 177.57 179.43 3k23 h ILE 572 N 0.07 1.25 -0.60 4.57 2.04 -0.42 -2.49 117.51 121.93 3k23 h ILE 572 Ca -0.06 -0.46 -0.09 0.00 1.00 0.00 0.00 64.86 65.24 3k23 h ILE 572 Cb 1.70 -0.17 -0.02 0.00 -0.74 0.00 0.00 36.82 37.59 3k23 h ILE 572 CO 0.15 0.24 0.01 0.00 0.00 0.00 0.00 178.15 178.56 3k23 h ALA 573 N 1.35 0.80 -0.63 1.87 0.00 -0.92 -3.01 119.26 118.73 3k23 h ALA 573 Ca 0.35 -0.30 0.11 0.00 0.00 0.00 0.00 54.91 55.07 3k23 h ALA 573 Cb -0.14 -0.22 -0.08 0.00 0.00 0.00 0.00 17.79 17.34 3k23 h ALA 573 CO -0.08 0.63 0.19 0.00 0.00 0.00 0.00 179.25 180.00 3k23 h ALA 574 N 0.99 0.79 -0.58 0.00 0.00 -0.90 -2.38 119.26 117.19 3k23 h ALA 574 Ca 0.17 0.11 -0.10 0.00 0.00 0.00 0.00 54.91 55.10 3k23 h ALA 574 Cb 0.54 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 3k23 h ALA 574 CO 0.03 -0.25 -0.02 0.28 0.00 0.00 0.00 179.25 179.28 3k23 h VAL 575 N 0.34 1.26 -0.05 0.00 2.07 -1.33 -0.33 116.25 118.22 3k23 h VAL 575 Ca 0.33 -1.16 0.01 0.00 0.82 0.00 0.00 66.70 66.70 3k23 h VAL 575 Cb 0.47 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 3k23 h VAL 575 CO -0.37 0.42 -0.02 0.11 0.02 0.00 0.00 177.57 177.73 3k23 h LYS 576 N 0.93 -0.01 -0.08 1.57 1.57 -1.36 0.61 116.57 119.80 3k23 h LYS 576 Ca 0.16 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.98 3k23 h LYS 576 Cb 0.57 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.82 3k23 h LYS 576 CO 0.03 -0.01 -0.43 2.35 -0.57 0.00 0.00 179.45 180.82 3k23 h TRP 577 N -0.01 -1.25 0.18 -1.35 7.01 -1.27 -1.62 115.95 117.63 3k23 h TRP 577 Ca 0.03 0.05 0.01 0.00 2.11 0.00 0.00 58.89 61.09 3k23 h TRP 577 Cb 0.05 0.56 -0.04 0.00 -2.10 0.00 0.00 29.16 27.63 3k23 h TRP 577 CO -0.12 -0.49 -0.34 0.00 -2.79 0.00 0.00 178.44 174.70 3k23 h ALA 578 N 0.01 -0.61 -1.04 2.65 0.00 -0.71 -0.82 119.26 118.74 3k23 h ALA 578 Ca 0.06 -0.07 0.30 0.00 0.00 0.00 0.00 54.91 55.20 3k23 h ALA 578 Cb 0.65 0.53 -0.05 0.00 0.00 0.00 0.00 17.79 18.92 3k23 h ALA 578 CO -0.37 -0.90 0.74 -0.22 0.00 0.00 0.00 179.25 178.50 3k23 h LYS 579 N -0.60 0.06 -0.74 0.00 3.64 -0.72 0.35 116.57 118.56 3k23 h LYS 579 Ca 0.02 -0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.35 3k23 h LYS 579 Cb 0.60 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.38 3k23 h LYS 579 CO -0.16 0.04 0.06 0.00 -2.27 0.00 0.00 179.45 177.12 3k23 n ALA 580 N -2.70 3.65 -2.81 5.00 0.00 -0.32 -4.31 120.51 119.02 3k23 n ALA 580 Ca 0.22 -1.45 -0.35 0.00 0.00 0.00 0.00 53.44 51.87 3k23 n ALA 580 Cb 1.07 -1.12 -0.10 0.00 0.00 0.00 0.00 19.45 19.30 3k23 n ALA 580 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3k23 s ILE 581 N -2.27 4.88 0.31 0.00 1.01 0.11 -5.02 121.20 120.22 3k23 s ILE 581 Ca 0.39 -0.00 -0.29 0.00 0.00 0.00 0.00 60.65 60.75 3k23 s ILE 581 Cb 0.30 -3.21 -0.13 0.00 0.01 0.00 0.00 42.46 39.44 3k23 s ILE 581 CO 0.11 0.45 1.32 -2.65 0.00 0.00 0.00 174.94 174.17 3k23 n PRO 582 N 3.60 2.09 0.00 2.79 -0.02 -1.26 -1.82 135.00 140.37 3k23 n PRO 582 Ca -0.16 0.74 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 3k23 n PRO 582 Cb 0.52 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.67 3k23 n PRO 582 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3k23 n GLY 583 N 1.19 2.00 0.28 -1.23 0.00 -1.26 -4.78 105.19 101.40 3k23 n GLY 583 Ca 0.07 -0.28 -0.14 0.00 0.00 0.00 0.00 46.02 45.67 3k23 n GLY 583 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3k23 h PHE 584 N 0.00 -0.60 -1.10 1.61 3.57 -1.68 -3.15 116.94 115.59 3k23 h PHE 584 Ca 0.00 -0.01 0.30 0.00 3.53 0.00 0.00 57.97 61.79 3k23 h PHE 584 Cb 0.00 0.20 -0.08 0.00 2.79 0.00 0.00 35.95 38.86 3k23 h PHE 584 CO 0.00 -0.28 0.74 -0.09 -2.23 0.00 0.00 178.31 176.45 3k23 h ARG 585 N -0.98 0.23 -0.00 1.11 2.43 -1.73 0.38 114.38 115.81 3k23 h ARG 585 Ca -0.07 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 3k23 h ARG 585 Cb 0.60 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.09 3k23 h ARG 585 CO 0.11 0.15 -0.02 0.09 -1.51 0.00 0.00 179.97 178.79 3k23 n ASN 586 N -4.47 0.08 -4.73 -3.80 3.02 -1.20 -4.83 115.26 99.33 3k23 n ASN 586 Ca 0.26 -0.19 -0.30 0.00 -0.03 0.00 0.00 54.58 54.32 3k23 n ASN 586 Cb 1.03 -0.25 0.13 0.00 -0.61 0.00 0.00 39.78 40.08 3k23 n ASN 586 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3k23 s LEU 587 N -2.57 2.28 0.31 3.41 1.43 0.13 -4.99 118.68 118.68 3k23 s LEU 587 Ca 0.28 1.44 -0.29 0.00 -1.03 0.00 0.00 54.13 54.53 3k23 s LEU 587 Cb 0.20 -3.88 -0.10 0.00 0.03 0.00 0.00 46.19 42.44 3k23 s LEU 587 CO 0.47 -2.56 1.29 -2.28 0.23 0.00 0.00 176.35 173.50 3k23 s HIS 588 N -2.97 3.12 -0.14 0.29 5.65 -1.26 -4.88 115.29 115.10 3k23 s HIS 588 Ca 0.63 1.42 0.23 0.00 0.25 0.00 0.00 55.06 57.59 3k23 s HIS 588 Cb -0.17 -3.64 1.26 0.00 -1.18 0.00 0.00 32.58 28.84 3k23 s HIS 588 CO 0.56 -1.76 1.71 1.25 -0.65 0.00 0.00 174.74 175.86 3k23 h LEU 589 N 3.62 0.00 -0.00 8.88 5.85 -1.94 0.71 115.31 132.43 3k23 h LEU 589 Ca -0.48 0.00 -0.26 0.00 0.84 0.00 0.00 57.88 57.97 3k23 h LEU 589 Cb 1.22 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.27 3k23 h LEU 589 CO 0.67 0.00 -1.12 0.44 -0.34 0.00 0.00 178.44 178.09 3k23 h ASP 590 N 0.00 0.63 -0.22 1.25 3.32 -2.00 -3.21 116.42 116.19 3k23 h ASP 590 Ca 0.00 -0.57 -0.15 0.00 0.02 0.00 0.00 57.03 56.34 3k23 h ASP 590 Cb 0.01 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.36 3k23 h ASP 590 CO 0.00 1.39 -0.43 0.44 -1.72 0.00 0.00 179.24 178.92 3k23 h ASP 591 N 0.21 0.77 -0.39 6.45 3.32 -1.25 -2.28 116.42 123.25 3k23 h ASP 591 Ca -0.13 -0.54 0.08 0.00 0.02 0.00 0.00 57.03 56.45 3k23 h ASP 591 Cb 1.78 -0.22 -0.07 0.00 0.22 0.00 0.00 39.33 41.05 3k23 h ASP 591 CO 0.20 1.16 -0.05 1.56 -1.72 0.00 0.00 179.24 180.39 3k23 h GLN 592 N 0.40 0.04 0.33 3.56 4.20 -1.51 0.28 115.11 122.41 3k23 h GLN 592 Ca 0.01 -0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.70 3k23 h GLN 592 Cb 1.03 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.81 3k23 h GLN 592 CO 0.10 0.03 -0.16 0.52 -0.67 0.00 0.00 178.83 178.65 3k23 h MET 593 N 0.04 -0.42 -0.35 1.46 2.86 -1.55 -1.16 114.93 115.81 3k23 h MET 593 Ca 0.19 0.03 0.08 0.00 -2.06 0.00 0.00 59.70 57.93 3k23 h MET 593 Cb 0.28 0.10 -0.08 0.00 0.06 0.00 0.00 31.60 31.95 3k23 h MET 593 CO -0.36 -0.27 -0.25 1.15 1.06 0.00 0.00 176.91 178.24 3k23 h THR 594 N -0.46 0.35 -0.32 2.22 2.02 -0.89 -0.26 112.91 115.57 3k23 h THR 594 Ca -0.04 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.08 3k23 h THR 594 Cb 0.35 0.35 -0.02 0.00 -1.74 0.00 0.00 68.15 67.10 3k23 h THR 594 CO 0.07 0.00 -0.03 -0.07 0.37 0.00 0.00 175.52 175.87 3k23 h LEU 595 N -0.20 0.47 -0.25 2.58 3.38 -0.30 -0.47 115.31 120.52 3k23 h LEU 595 Ca 0.17 -0.09 -0.11 0.00 0.09 0.00 0.00 57.88 57.94 3k23 h LEU 595 Cb 0.47 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 3k23 h LEU 595 CO -0.47 0.56 -0.28 -0.07 0.09 0.00 0.00 178.44 178.27 3k23 h LEU 596 N 0.48 0.68 -0.76 1.67 3.38 -0.79 -2.14 115.31 117.84 3k23 h LEU 596 Ca 0.10 -0.48 -0.06 0.00 0.09 0.00 0.00 57.88 57.53 3k23 h LEU 596 Cb 0.35 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 3k23 h LEU 596 CO 0.01 1.03 0.24 1.56 0.09 0.00 0.00 178.44 181.37 3k23 h GLN 597 N 0.35 1.17 -0.25 1.13 4.20 -0.49 -1.30 115.11 119.92 3k23 h GLN 597 Ca 0.04 -0.25 -0.11 0.00 0.06 0.00 0.00 58.65 58.39 3k23 h GLN 597 Cb 0.85 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 28.46 3k23 h GLN 597 CO 0.07 0.99 -0.29 1.88 -0.67 0.00 0.00 178.83 180.81 3k23 h TYR 598 N 1.12 0.76 -0.01 2.96 -1.99 -1.18 -3.37 116.97 115.26 3k23 h TYR 598 Ca 0.24 -0.24 0.00 0.00 2.00 0.00 0.00 58.73 60.73 3k23 h TYR 598 Cb 0.31 -0.16 0.00 0.00 2.00 0.00 0.00 36.73 38.88 3k23 h TYR 598 CO 0.03 0.97 -0.30 -1.13 -0.00 0.00 0.00 178.16 177.72 3k23 n SER 599 N -4.31 1.75 -0.21 3.88 3.41 -0.80 -4.55 113.62 112.79 3k23 n SER 599 Ca -0.05 -1.36 -0.04 0.00 -0.26 0.00 0.00 58.87 57.17 3k23 n SER 599 Cb 0.47 0.26 0.07 0.00 -0.26 0.00 0.00 64.21 64.74 3k23 n SER 599 CO 0.00 0.00 0.00 4.11 -0.16 0.00 0.00 175.04 178.99 3k23 h TRP 600 N 2.27 0.67 -0.19 7.33 5.08 -1.41 0.10 115.95 129.81 3k23 h TRP 600 Ca 0.00 0.02 -0.08 0.00 1.08 0.00 0.00 58.89 59.91 3k23 h TRP 600 Cb 0.68 -0.21 -0.01 0.00 -3.00 0.00 0.00 29.16 26.61 3k23 h TRP 600 CO 0.00 0.37 -0.24 1.98 -1.28 0.00 0.00 178.44 179.27 3k23 h MET 601 N 0.70 0.35 0.20 0.12 4.05 -1.87 -2.15 114.93 116.32 3k23 h MET 601 Ca 0.26 -0.12 -0.01 0.00 -0.28 0.00 0.00 59.70 59.55 3k23 h MET 601 Cb 0.07 -0.03 0.00 0.00 -0.80 0.00 0.00 31.60 30.84 3k23 h MET 601 CO -0.13 0.57 -0.10 1.88 0.23 0.00 0.00 176.91 179.37 3k23 h TYR 602 N 0.31 -0.25 -0.92 1.39 -1.99 -1.33 0.06 116.97 114.25 3k23 h TYR 602 Ca 0.05 -0.01 0.11 0.00 2.00 0.00 0.00 58.73 60.88 3k23 h TYR 602 Cb 0.59 0.08 -0.07 0.00 2.00 0.00 0.00 36.73 39.34 3k23 h TYR 602 CO 0.01 -0.15 0.59 -0.07 -0.00 0.00 0.00 178.16 178.55 3k23 h LEU 603 N -0.28 0.82 0.31 3.88 3.38 -0.87 -1.31 115.31 121.24 3k23 h LEU 603 Ca -0.03 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 3k23 h LEU 603 Cb 0.22 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.83 3k23 h LEU 603 CO 0.05 0.47 -0.15 0.24 0.09 0.00 0.00 178.44 179.13 3k23 h MET 604 N 0.90 -0.40 -0.35 1.13 2.86 -0.95 -0.07 114.93 118.05 3k23 h MET 604 Ca 0.43 0.03 0.07 0.00 -2.06 0.00 0.00 59.70 58.17 3k23 h MET 604 Cb 0.45 0.09 -0.07 0.00 0.06 0.00 0.00 31.60 32.13 3k23 h MET 604 CO -0.20 -0.07 -0.11 0.00 1.06 0.00 0.00 176.91 177.59 3k23 h ALA 605 N -0.33 0.19 -0.48 6.32 0.00 -0.65 0.51 119.26 124.82 3k23 h ALA 605 Ca -0.04 0.13 -0.13 0.00 0.00 0.00 0.00 54.91 54.87 3k23 h ALA 605 Cb 0.52 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 3k23 h ALA 605 CO 0.07 -0.49 -0.21 0.35 0.00 0.00 0.00 179.25 178.98 3k23 h PHE 606 N -0.04 1.11 0.16 0.00 3.57 -1.29 0.19 116.94 120.64 3k23 h PHE 606 Ca 0.17 -0.26 -0.01 0.00 3.53 0.00 0.00 57.97 61.40 3k23 h PHE 606 Cb 0.30 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 38.78 3k23 h PHE 606 CO -0.34 1.08 -0.08 0.00 -2.23 0.00 0.00 178.31 176.74 3k23 h ALA 607 N 0.91 -0.21 -0.90 2.41 0.00 -0.32 -1.44 119.26 119.71 3k23 h ALA 607 Ca 0.11 -0.17 0.19 0.00 0.00 0.00 0.00 54.91 55.04 3k23 h ALA 607 Cb 0.78 0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.58 3k23 h ALA 607 CO 0.06 -0.46 0.59 1.25 0.00 0.00 0.00 179.25 180.70 3k23 h LEU 608 N -0.54 0.45 0.47 0.00 5.85 0.08 -1.44 115.31 120.17 3k23 h LEU 608 Ca -0.02 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 3k23 h LEU 608 Cb 0.41 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.41 3k23 h LEU 608 CO 0.04 0.19 -0.22 1.23 -0.34 0.00 0.00 178.44 179.33 3k23 h GLY 609 N 0.45 -0.65 0.86 3.75 0.00 -0.07 -2.28 103.07 105.13 3k23 h GLY 609 Ca 0.47 0.24 0.04 0.00 0.00 0.00 0.00 47.33 48.08 3k23 h GLY 609 CO -0.19 -0.24 0.63 -0.25 0.00 0.00 0.00 176.54 176.49 3k23 h TRP 610 N -0.66 1.18 -0.28 5.60 2.91 -0.80 -1.97 115.95 121.93 3k23 h TRP 610 Ca -0.06 0.03 -0.03 0.00 1.13 0.00 0.00 58.89 59.96 3k23 h TRP 610 Cb 0.50 -0.39 -0.01 0.00 -0.51 0.00 0.00 29.16 28.75 3k23 h TRP 610 CO -0.04 0.67 0.07 -0.09 -1.03 0.00 0.00 178.44 178.02 3k23 h ARG 611 N 1.21 0.44 -0.12 2.65 2.43 -1.17 0.26 114.38 120.07 3k23 h ARG 611 Ca 0.39 -0.10 -0.08 0.00 -0.81 0.00 0.00 59.98 59.38 3k23 h ARG 611 Cb 0.02 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.50 3k23 h ARG 611 CO -0.13 0.52 -0.28 0.77 -1.51 0.00 0.00 179.97 179.34 3k23 h SER 612 N 0.28 0.22 0.72 -3.80 0.02 -1.33 -2.62 113.55 107.03 3k23 h SER 612 Ca 0.09 -0.07 -0.04 0.00 -0.84 0.00 0.00 61.79 60.93 3k23 h SER 612 Cb 0.28 -0.06 0.01 0.00 0.14 0.00 0.00 62.40 62.77 3k23 h SER 612 CO 0.00 0.50 -0.35 0.22 -1.14 0.00 0.00 176.83 176.06 3k23 h TYR 613 N 0.20 -0.90 0.00 3.45 -0.00 -1.03 0.12 116.97 118.81 3k23 h TYR 613 Ca 0.03 -0.02 0.00 0.00 -0.00 0.00 0.00 58.73 58.74 3k23 h TYR 613 Cb 0.60 0.30 0.00 0.00 -0.00 0.00 0.00 36.73 37.63 3k23 h TYR 613 CO 0.01 -0.54 0.00 0.54 -0.00 0.00 0.00 178.16 178.17 3k23 n ARG 614 N -5.44 0.11 0.03 1.82 5.12 0.05 -1.71 116.66 116.63 3k23 n ARG 614 Ca -0.13 0.40 -0.01 0.00 -1.93 0.00 0.00 57.85 56.18 3k23 n ARG 614 Cb 0.39 -1.73 -0.00 0.00 -1.16 0.00 0.00 32.46 29.97 3k23 n ARG 614 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 3k23 n GLN 615 N -1.93 0.03 0.00 5.56 6.02 -1.00 -4.75 117.38 121.31 3k23 n GLN 615 Ca 0.02 0.01 0.14 0.00 -0.01 0.00 0.00 57.00 57.16 3k23 n GLN 615 Cb 0.17 -0.55 0.46 0.00 1.02 0.00 0.00 30.24 31.34 3k23 n GLN 615 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 3k23 n SER 616 N -3.41 1.23 -3.01 1.08 3.41 -1.07 -4.97 113.62 106.89 3k23 n SER 616 Ca -0.01 -1.18 -0.14 0.00 -0.26 0.00 0.00 58.87 57.28 3k23 n SER 616 Cb 0.17 0.06 0.07 0.00 -0.26 0.00 0.00 64.21 64.25 3k23 n SER 616 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 3k23 n SER 617 N -0.26 -3.02 -3.78 4.04 2.88 -0.62 -3.49 113.62 109.36 3k23 n SER 617 Ca 0.16 -0.54 -0.29 0.00 -1.33 0.00 0.00 58.87 56.87 3k23 n SER 617 Cb 0.35 -4.38 0.01 0.00 -0.75 0.00 0.00 64.21 59.45 3k23 n SER 617 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3k23 n ALA 618 N -3.44 -1.21 -0.00 -1.46 0.00 0.32 -4.84 120.51 109.89 3k23 n ALA 618 Ca -0.19 0.16 -0.00 0.00 0.00 0.00 0.00 53.44 53.40 3k23 n ALA 618 Cb 0.63 -4.01 -0.00 0.00 0.00 0.00 0.00 19.45 16.06 3k23 n ALA 618 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3k23 n ASN 619 N -2.68 4.61 -4.88 0.00 3.02 -1.23 -4.75 115.26 109.36 3k23 n ASN 619 Ca 0.03 -0.00 -0.24 0.00 -0.03 0.00 0.00 54.58 54.33 3k23 n ASN 619 Cb 0.53 0.36 -0.02 0.00 -0.61 0.00 0.00 39.78 40.04 3k23 n ASN 619 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3k23 s LEU 620 N -4.32 2.96 -0.45 3.41 1.43 -1.26 -4.79 118.68 115.65 3k23 s LEU 620 Ca -0.00 -1.07 -0.00 0.00 -1.03 0.00 0.00 54.13 52.02 3k23 s LEU 620 Cb 0.00 -1.48 0.12 0.00 0.03 0.00 0.00 46.19 44.87 3k23 s LEU 620 CO 0.02 -0.91 0.22 -0.76 0.23 0.00 0.00 176.35 175.15 3k23 s LEU 621 N -4.20 5.00 -1.19 1.79 1.43 -1.11 -4.79 118.68 115.61 3k23 s LEU 621 Ca 0.40 -2.38 -0.15 0.00 -1.03 0.00 0.00 54.13 50.96 3k23 s LEU 621 Cb -0.02 -1.76 0.14 0.00 0.03 0.00 0.00 46.19 44.59 3k23 s LEU 621 CO 0.24 -0.42 1.47 0.00 0.23 0.00 0.00 176.35 177.86 3k23 h PHE 623 N 7.49 -0.14 -4.28 0.00 -1.00 -1.84 -3.41 116.94 113.76 3k23 h PHE 623 Ca 0.32 -0.00 -0.25 0.00 2.81 0.00 0.00 57.97 60.85 3k23 h PHE 623 Cb 0.89 0.05 -0.15 0.00 3.61 0.00 0.00 35.95 40.35 3k23 h PHE 623 CO 1.18 -0.01 -0.63 0.00 -1.61 0.00 0.00 178.31 177.24 3k23 s ALA 624 N -5.85 1.22 0.31 2.45 0.00 -0.96 -4.92 121.76 114.01 3k23 s ALA 624 Ca -0.14 -1.65 0.04 0.00 0.00 0.00 0.00 51.96 50.21 3k23 s ALA 624 Cb 0.05 1.07 0.65 0.00 0.00 0.00 0.00 23.12 24.89 3k23 s ALA 624 CO 0.65 -0.50 1.85 -1.35 0.00 0.00 0.00 175.76 176.41 3k23 h PRO 625 N 2.65 0.86 -0.52 0.00 0.11 -1.88 -2.47 132.00 130.74 3k23 h PRO 625 Ca -0.36 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.70 3k23 h PRO 625 Cb 1.23 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.15 3k23 h PRO 625 CO 0.58 0.57 0.00 -0.40 -0.21 0.00 0.00 178.00 178.53 3k23 n ASP 626 N -4.59 2.81 -3.09 -2.05 5.75 -1.26 -4.60 116.55 109.53 3k23 n ASP 626 Ca 0.18 -2.05 -0.11 0.00 -0.01 0.00 0.00 54.79 52.80 3k23 n ASP 626 Cb 0.39 -0.36 -0.04 0.00 -1.03 0.00 0.00 41.12 40.08 3k23 n ASP 626 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 3k23 s LEU 627 N -1.06 -0.52 -0.12 -2.12 2.96 -0.93 -4.43 118.68 112.45 3k23 s LEU 627 Ca 0.34 -1.90 -0.04 0.00 -0.22 0.00 0.00 54.13 52.31 3k23 s LEU 627 Cb 0.18 1.10 -0.03 0.00 0.50 0.00 0.00 46.19 47.93 3k23 s LEU 627 CO 0.22 -0.13 0.02 -0.63 -1.32 0.00 0.00 176.35 174.51 3k23 s ILE 628 N 0.91 4.49 -0.60 6.68 1.01 -1.25 -2.26 121.20 130.19 3k23 s ILE 628 Ca 0.26 -0.16 -0.17 0.00 0.00 0.00 0.00 60.65 60.58 3k23 s ILE 628 Cb -0.03 -2.94 0.12 0.00 0.01 0.00 0.00 42.46 39.63 3k23 s ILE 628 CO -0.08 0.55 0.63 -0.63 0.00 0.00 0.00 174.94 175.42 3k23 s ILE 629 N -0.40 5.05 0.73 2.92 -1.09 -0.58 -4.93 121.20 122.89 3k23 s ILE 629 Ca 0.08 -1.35 -0.11 0.00 -2.23 0.00 0.00 60.65 57.05 3k23 s ILE 629 Cb -0.12 -4.43 0.03 0.00 -1.58 0.00 0.00 42.46 36.36 3k23 s ILE 629 CO 0.02 -1.02 1.08 0.54 -1.23 0.00 0.00 174.94 174.33 3k23 s ASN 630 N 3.50 5.07 0.49 3.58 4.22 -1.26 -2.75 114.94 127.80 3k23 s ASN 630 Ca 0.09 1.41 0.31 0.00 -2.14 0.00 0.00 52.86 52.54 3k23 s ASN 630 Cb -0.25 -2.23 1.42 0.00 1.28 0.00 0.00 41.25 41.46 3k23 s ASN 630 CO 0.03 -1.61 1.78 -0.33 -2.04 0.00 0.00 177.10 174.93 3k23 h GLU 631 N -0.84 0.12 -0.38 3.55 5.08 -1.98 0.70 114.58 120.83 3k23 h GLU 631 Ca -0.45 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 57.91 3k23 h GLU 631 Cb 1.24 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.44 3k23 h GLU 631 CO 0.59 0.08 0.23 0.37 -1.00 0.00 0.00 179.01 179.28 3k23 h GLN 632 N 0.12 0.46 -0.23 2.33 4.15 -2.01 -3.02 115.11 116.91 3k23 h GLN 632 Ca 0.60 -0.03 -0.14 0.00 0.77 0.00 0.00 58.65 59.85 3k23 h GLN 632 Cb 2.09 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 29.67 3k23 h GLN 632 CO -0.12 0.31 -0.43 0.00 -1.93 0.00 0.00 178.83 176.65 3k23 h ARG 633 N 0.48 0.56 -0.86 1.69 3.08 0.04 -2.88 114.38 116.48 3k23 h ARG 633 Ca 0.15 -0.30 0.21 0.00 0.07 0.00 0.00 59.98 60.11 3k23 h ARG 633 Cb -0.02 0.01 -0.05 0.00 0.08 0.00 0.00 29.97 29.99 3k23 h ARG 633 CO -0.05 0.89 0.59 0.52 -1.07 0.00 0.00 179.97 180.84 3k23 h MET 634 N 0.45 0.24 0.00 0.04 2.86 -1.20 -0.91 114.93 116.42 3k23 h MET 634 Ca 0.03 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 3k23 h MET 634 Cb 0.94 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.55 3k23 h MET 634 CO 0.08 0.16 0.00 0.25 1.06 0.00 0.00 176.91 178.46 3k23 n THR 635 N -4.43 0.07 -0.77 2.22 -2.24 -1.09 -1.60 114.28 106.44 3k23 n THR 635 Ca 0.18 -0.03 -0.32 0.00 -2.27 0.00 0.00 64.05 61.62 3k23 n THR 635 Cb 0.76 -0.51 0.15 0.00 -2.10 0.00 0.00 70.33 68.62 3k23 n THR 635 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3k23 n LEU 636 N -1.58 2.63 -4.67 3.22 4.77 -0.35 -4.84 117.00 116.19 3k23 n LEU 636 Ca 0.07 0.43 -0.50 0.00 -0.03 0.00 0.00 56.01 55.98 3k23 n LEU 636 Cb 0.35 -1.42 -0.05 0.00 -2.33 0.00 0.00 43.42 39.97 3k23 n LEU 636 CO 0.27 -2.45 1.27 -2.65 -1.33 0.00 0.00 177.39 172.50 3k23 n PRO 637 N -3.47 1.81 -1.12 3.23 -0.02 -1.26 -2.41 135.00 131.76 3k23 n PRO 637 Ca 0.11 0.66 -0.04 0.00 -2.02 0.00 0.00 63.50 62.21 3k23 n PRO 637 Cb 0.52 -2.42 -0.02 0.00 -0.02 0.00 0.00 33.50 31.56 3k23 n PRO 637 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3k23 n GLY 638 N 3.75 0.69 0.01 -1.23 0.00 -1.26 -4.86 105.19 102.28 3k23 n GLY 638 Ca 0.21 -0.50 0.05 0.00 0.00 0.00 0.00 46.02 45.77 3k23 n GLY 638 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3k23 n MET 639 N -2.46 0.51 0.30 1.61 0.00 -1.01 -4.78 117.12 111.29 3k23 n MET 639 Ca -0.04 -0.10 -0.12 0.00 0.00 0.00 0.00 57.70 57.44 3k23 n MET 639 Cb 0.19 -1.27 -0.06 0.00 0.00 0.00 0.00 33.22 32.08 3k23 n MET 639 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 175.97 175.05 3k23 h TYR 640 N 0.00 -0.72 -0.09 1.12 3.20 -1.47 -3.11 116.97 115.89 3k23 h TYR 640 Ca -0.02 -0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.80 3k23 h TYR 640 Cb 0.61 0.24 -0.00 0.00 1.54 0.00 0.00 36.73 39.12 3k23 h TYR 640 CO 0.00 -0.45 -0.04 -0.44 -1.64 0.00 0.00 178.16 175.59 3k23 h ASP 641 N -0.88 0.19 -0.80 -2.11 3.32 -1.87 0.96 116.42 115.23 3k23 h ASP 641 Ca -0.08 -0.42 0.16 0.00 0.02 0.00 0.00 57.03 56.71 3k23 h ASP 641 Cb 0.60 -0.05 -0.10 0.00 0.22 0.00 0.00 39.33 40.00 3k23 h ASP 641 CO 0.13 0.56 0.33 1.56 -1.72 0.00 0.00 179.24 180.11 3k23 h GLN 642 N -0.19 0.45 -0.50 3.56 1.08 -1.87 0.19 115.11 117.83 3k23 h GLN 642 Ca 0.02 -0.03 -0.07 0.00 -1.45 0.00 0.00 58.65 57.13 3k23 h GLN 642 Cb 0.49 -0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 27.80 3k23 h GLN 642 CO 0.01 0.30 0.05 0.00 -0.95 0.00 0.00 178.83 178.24 3k23 h LYS 644 N 0.72 0.22 -0.06 0.00 1.79 0.11 0.28 116.57 119.63 3k23 h LYS 644 Ca 0.15 -0.01 -0.07 0.00 -2.18 0.00 0.00 60.65 58.53 3k23 h LYS 644 Cb 0.44 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.04 3k23 h LYS 644 CO 0.01 0.14 -0.24 0.45 -1.08 0.00 0.00 179.45 178.73 3k23 h HIS 645 N 0.22 0.36 -0.32 -1.35 3.86 -0.38 -2.88 115.15 114.67 3k23 h HIS 645 Ca 0.16 -0.15 0.00 0.00 -1.16 0.00 0.00 60.37 59.22 3k23 h HIS 645 Cb 0.35 -0.06 -0.02 0.00 1.06 0.00 0.00 27.41 28.75 3k23 h HIS 645 CO -0.00 0.87 0.21 0.52 0.86 0.00 0.00 177.93 180.38 3k23 h MET 646 N -0.26 0.41 -0.84 2.45 2.86 -0.58 -1.78 114.93 117.19 3k23 h MET 646 Ca -0.01 -0.02 0.21 0.00 -2.06 0.00 0.00 59.70 57.81 3k23 h MET 646 Cb 0.89 -0.09 -0.05 0.00 0.06 0.00 0.00 31.60 32.41 3k23 h MET 646 CO 0.05 0.27 0.58 -0.07 1.06 0.00 0.00 176.91 178.80 3k23 h LEU 647 N 0.42 0.23 -0.81 1.22 3.38 -0.54 -2.63 115.31 116.58 3k23 h LEU 647 Ca 0.12 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 3k23 h LEU 647 Cb -0.04 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 40.65 3k23 h LEU 647 CO -0.03 0.09 0.46 0.22 0.09 0.00 0.00 178.44 179.27 3k23 h TYR 648 N 0.23 1.10 -0.68 1.13 5.03 -1.09 -1.64 116.97 121.05 3k23 h TYR 648 Ca 0.42 -0.02 0.01 0.00 2.58 0.00 0.00 58.73 61.72 3k23 h TYR 648 Cb 1.29 -0.35 -0.03 0.00 1.55 0.00 0.00 36.73 39.18 3k23 h TYR 648 CO -0.00 0.76 0.45 0.28 -1.32 0.00 0.00 178.16 178.33 3k23 h VAL 649 N 1.12 1.17 -0.11 1.81 2.07 -1.50 -2.41 116.25 118.40 3k23 h VAL 649 Ca 0.29 -0.31 -0.15 0.00 0.82 0.00 0.00 66.70 67.34 3k23 h VAL 649 Cb 0.01 0.17 0.01 0.00 -1.52 0.00 0.00 31.29 29.96 3k23 h VAL 649 CO -0.05 0.17 -0.53 -1.28 0.02 0.00 0.00 177.57 175.90 3k23 h SER 650 N 0.92 0.66 -0.24 0.57 0.87 -1.40 -2.01 113.55 112.92 3k23 h SER 650 Ca 0.25 -0.64 -0.01 0.00 -1.23 0.00 0.00 61.79 60.16 3k23 h SER 650 Cb -0.10 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 61.65 3k23 h SER 650 CO -0.05 1.19 0.12 0.77 -0.53 0.00 0.00 176.83 178.33 3k23 h SER 651 N 0.17 0.33 -0.20 6.23 4.64 -1.27 0.16 113.55 123.62 3k23 h SER 651 Ca -0.03 -0.02 -0.17 0.00 -0.47 0.00 0.00 61.79 61.10 3k23 h SER 651 Cb 1.17 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 3k23 h SER 651 CO 0.11 0.30 -0.53 -0.33 -0.87 0.00 0.00 176.83 175.51 3k23 h GLU 652 N 0.38 0.70 -0.41 4.77 4.39 -1.28 0.41 114.58 123.55 3k23 h GLU 652 Ca 0.10 -0.49 -0.04 0.00 0.34 0.00 0.00 59.36 59.26 3k23 h GLU 652 Cb 0.06 0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.77 3k23 h GLU 652 CO -0.01 1.12 0.07 -0.07 -1.16 0.00 0.00 179.01 178.95 3k23 h LEU 653 N 0.41 0.57 0.06 1.33 3.38 -0.91 -1.59 115.31 118.56 3k23 h LEU 653 Ca -0.01 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 3k23 h LEU 653 Cb 1.14 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.75 3k23 h LEU 653 CO 0.11 0.60 -0.03 -0.74 0.09 0.00 0.00 178.44 178.47 3k23 h HIS 654 N 0.60 -0.07 -0.39 1.13 2.76 -0.53 -1.83 115.15 116.82 3k23 h HIS 654 Ca 0.13 -0.00 0.03 0.00 -2.20 0.00 0.00 60.37 58.33 3k23 h HIS 654 Cb 0.28 0.02 -0.03 0.00 1.55 0.00 0.00 27.41 29.23 3k23 h HIS 654 CO 0.01 0.43 0.19 -0.09 -1.30 0.00 0.00 177.93 177.17 3k23 h ARG 655 N -0.62 0.37 0.00 5.26 2.43 -0.11 -1.51 114.38 120.20 3k23 h ARG 655 Ca -0.01 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 3k23 h ARG 655 Cb 0.54 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.00 3k23 h ARG 655 CO 0.01 0.25 0.00 1.28 -1.51 0.00 0.00 179.97 180.00 3k23 n LEU 656 N -4.94 0.00 -4.14 3.80 4.77 -0.61 -4.90 117.00 110.99 3k23 n LEU 656 Ca 0.01 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.63 3k23 n LEU 656 Cb 0.10 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.15 3k23 n LEU 656 CO 0.30 0.00 -0.31 0.00 -1.33 0.00 0.00 177.39 176.05 3k23 n GLN 657 N -0.73 -0.61 -2.35 3.23 1.13 -0.57 -4.85 117.38 112.63 3k23 n GLN 657 Ca 0.10 0.05 -0.40 0.00 -1.94 0.00 0.00 57.00 54.81 3k23 n GLN 657 Cb 0.05 -2.79 -0.04 0.00 0.11 0.00 0.00 30.24 27.57 3k23 n GLN 657 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 3k23 s VAL 658 N -3.98 3.23 0.36 5.09 1.01 -0.71 -5.04 120.40 120.36 3k23 s VAL 658 Ca 0.22 1.23 0.03 0.00 0.00 0.00 0.00 61.98 63.46 3k23 s VAL 658 Cb -0.12 -3.78 -0.01 0.00 0.00 0.00 0.00 36.38 32.46 3k23 s VAL 658 CO 0.92 0.29 0.54 -0.94 0.00 0.00 0.00 175.10 175.91 3k23 s SER 659 N -0.71 6.04 0.13 3.32 1.04 -1.26 -4.91 113.70 117.35 3k23 s SER 659 Ca 0.46 0.15 -0.22 0.00 0.48 0.00 0.00 55.95 56.82 3k23 s SER 659 Cb -0.35 -1.59 -0.02 0.00 0.10 0.00 0.00 66.02 64.16 3k23 s SER 659 CO 0.45 -0.45 1.66 0.22 0.98 0.00 0.00 173.24 176.10 3k23 h TYR 660 N 0.73 -0.43 -0.96 5.02 3.20 -1.98 0.32 116.97 122.87 3k23 h TYR 660 Ca -0.48 0.02 0.06 0.00 3.14 0.00 0.00 58.73 61.48 3k23 h TYR 660 Cb 1.24 0.21 -0.06 0.00 1.54 0.00 0.00 36.73 39.66 3k23 h TYR 660 CO 0.46 -0.24 0.62 0.93 -1.64 0.00 0.00 178.16 178.28 3k23 h GLU 661 N -0.21 1.10 -0.25 1.82 5.08 -1.95 0.11 114.58 120.27 3k23 h GLU 661 Ca 0.09 -0.07 -0.06 0.00 -1.00 0.00 0.00 59.36 58.32 3k23 h GLU 661 Cb 0.35 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 3k23 h GLU 661 CO -0.25 0.72 -0.09 0.93 -1.00 0.00 0.00 179.01 179.32 3k23 h GLU 662 N 1.13 0.51 -0.42 2.33 5.08 -1.73 -2.68 114.58 118.80 3k23 h GLU 662 Ca 0.41 -0.21 0.08 0.00 -1.00 0.00 0.00 59.36 58.65 3k23 h GLU 662 Cb 0.14 -0.02 -0.08 0.00 0.50 0.00 0.00 28.75 29.29 3k23 h GLU 662 CO -0.17 0.75 -0.11 -0.92 -1.00 0.00 0.00 179.01 177.56 3k23 h TYR 663 N 0.24 -0.24 -0.68 4.33 3.20 0.92 -0.88 116.97 123.86 3k23 h TYR 663 Ca 0.06 0.04 -0.04 0.00 3.14 0.00 0.00 58.73 61.93 3k23 h TYR 663 Cb 0.58 0.17 -0.03 0.00 1.54 0.00 0.00 36.73 38.99 3k23 h TYR 663 CO 0.06 -0.19 0.28 -0.07 -1.64 0.00 0.00 178.16 176.60 3k23 h LEU 664 N -0.01 0.92 -0.77 2.82 3.38 -0.81 -0.48 115.31 120.36 3k23 h LEU 664 Ca 0.20 -0.16 -0.10 0.00 0.09 0.00 0.00 57.88 57.91 3k23 h LEU 664 Cb 0.32 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 3k23 h LEU 664 CO -0.44 0.83 -0.13 0.00 0.09 0.00 0.00 178.44 178.80 3k23 h MET 666 N 0.72 0.43 -0.97 0.00 2.86 -0.74 -2.25 114.93 114.97 3k23 h MET 666 Ca 0.12 -0.11 0.07 0.00 -2.06 0.00 0.00 59.70 57.72 3k23 h MET 666 Cb 0.62 -0.05 -0.07 0.00 0.06 0.00 0.00 31.60 32.16 3k23 h MET 666 CO 0.04 0.54 0.62 -0.22 1.06 0.00 0.00 176.91 178.95 3k23 h LYS 667 N 0.24 1.08 -0.15 1.72 3.64 -0.95 0.13 116.57 122.28 3k23 h LYS 667 Ca 0.08 -0.07 -0.05 0.00 -1.27 0.00 0.00 60.65 59.35 3k23 h LYS 667 Cb 0.32 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 3k23 h LYS 667 CO 0.00 0.72 -0.12 1.15 -2.27 0.00 0.00 179.45 178.93 3k23 h THR 668 N 1.11 1.17 0.01 1.00 2.02 -1.20 -2.28 112.91 114.73 3k23 h THR 668 Ca 0.43 -0.74 -0.23 0.00 0.77 0.00 0.00 66.41 66.64 3k23 h THR 668 Cb 0.20 1.19 0.00 0.00 -1.74 0.00 0.00 68.15 67.80 3k23 h THR 668 CO -0.18 0.23 -0.95 -0.07 0.37 0.00 0.00 175.52 174.92 3k23 h LEU 669 N 0.22 0.52 -1.65 2.58 3.38 -0.23 -3.11 115.31 117.02 3k23 h LEU 669 Ca 0.05 -0.42 0.03 0.00 0.09 0.00 0.00 57.88 57.63 3k23 h LEU 669 Cb 0.35 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 3k23 h LEU 669 CO 0.02 1.22 0.28 -0.07 0.09 0.00 0.00 178.44 179.98 3k23 h LEU 670 N 0.22 0.40 -1.66 1.67 3.38 -0.51 0.39 115.31 119.20 3k23 h LEU 670 Ca -0.08 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 3k23 h LEU 670 Cb 1.59 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 42.24 3k23 h LEU 670 CO 0.16 0.28 -0.19 0.25 0.09 0.00 0.00 178.44 179.03 3k23 h LEU 671 N 0.46 0.00 -3.87 1.67 5.85 -1.44 -3.11 115.31 114.87 3k23 h LEU 671 Ca 0.17 0.00 -0.61 0.00 0.84 0.00 0.00 57.88 58.28 3k23 h LEU 671 Cb 0.11 0.00 -0.34 0.00 0.37 0.00 0.00 40.66 40.79 3k23 h LEU 671 CO -0.04 0.19 0.14 0.18 -0.34 0.00 0.00 178.44 178.56 3k23 n LEU 672 N -4.19 6.42 -0.53 2.25 4.77 0.13 -4.70 117.00 121.15 3k23 n LEU 672 Ca -0.02 -4.45 0.05 0.00 -0.03 0.00 0.00 56.01 51.56 3k23 n LEU 672 Cb 0.26 -0.70 0.10 0.00 -2.33 0.00 0.00 43.42 40.74 3k23 n LEU 672 CO 0.35 1.72 0.52 -1.54 -1.33 0.00 0.00 177.39 177.12 3k23 n SER 673 N -0.84 2.39 -3.65 -1.43 3.41 -0.76 -4.98 113.62 107.77 3k23 n SER 673 Ca 0.54 -1.72 -0.08 0.00 -0.26 0.00 0.00 58.87 57.35 3k23 n SER 673 Cb 0.82 -0.11 -0.07 0.00 -0.26 0.00 0.00 64.21 64.59 3k23 n SER 673 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3k23 s SER 674 N -0.95 -0.89 0.13 4.04 0.15 -1.26 -1.64 113.70 113.28 3k23 s SER 674 Ca 0.18 1.44 -0.01 0.00 0.70 0.00 0.00 55.95 58.26 3k23 s SER 674 Cb 0.10 1.32 -0.04 0.00 -1.71 0.00 0.00 66.02 65.70 3k23 s SER 674 CO 0.15 -0.23 0.06 0.68 1.20 0.00 0.00 173.24 175.09 3k23 s VAL 675 N 1.53 0.11 0.36 4.45 -7.23 -0.79 -4.79 120.40 114.03 3k23 s VAL 675 Ca -0.09 -1.89 -0.27 0.00 -1.81 0.00 0.00 61.98 57.92 3k23 s VAL 675 Cb -0.05 -2.02 -0.09 0.00 0.56 0.00 0.00 36.38 34.77 3k23 s VAL 675 CO -0.18 -0.48 1.18 -2.84 -0.31 0.00 0.00 175.10 172.47 3k23 s PRO 676 N -4.04 4.27 0.13 4.82 0.02 -1.26 -0.07 135.00 138.86 3k23 s PRO 676 Ca 0.23 1.91 -0.30 0.00 0.02 0.00 0.00 61.00 62.86 3k23 s PRO 676 Cb 0.07 -2.89 -0.07 0.00 0.02 0.00 0.00 34.50 31.64 3k23 s PRO 676 CO 0.01 -0.16 1.57 1.57 -0.33 0.00 0.00 177.00 179.67 3k23 h LYS 677 N 3.09 -0.48 -0.54 5.54 -0.00 -1.66 0.36 116.57 122.88 3k23 h LYS 677 Ca -0.48 0.03 0.05 0.00 -0.00 0.00 0.00 60.65 60.25 3k23 h LYS 677 Cb 1.23 0.11 -0.06 0.00 -0.00 0.00 0.00 32.23 33.50 3k23 h LYS 677 CO 0.64 -0.32 -0.32 -0.40 -0.00 0.00 0.00 179.45 179.05 3k23 n ASP 678 N -5.43 -0.57 0.00 7.07 5.75 -1.26 -4.95 116.55 117.15 3k23 n ASP 678 Ca -0.04 1.07 0.00 0.00 -0.01 0.00 0.00 54.79 55.80 3k23 n ASP 678 Cb 0.37 -0.18 0.00 0.00 -1.03 0.00 0.00 41.12 40.28 3k23 n ASP 678 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3k23 n GLY 679 N -1.13 0.40 3.72 6.12 0.00 0.13 -5.11 105.19 109.32 3k23 n GLY 679 Ca 0.01 -1.71 -0.35 0.00 0.00 0.00 0.00 46.02 43.97 3k23 n GLY 679 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3k23 s LEU 680 N 0.00 3.73 0.00 0.99 1.43 -1.26 -4.24 118.68 119.33 3k23 s LEU 680 Ca 0.00 0.19 0.00 0.00 -1.03 0.00 0.00 54.13 53.30 3k23 s LEU 680 Cb 0.00 -1.89 0.01 0.00 0.03 0.00 0.00 46.19 44.34 3k23 s LEU 680 CO 0.00 0.37 0.15 0.29 0.23 0.00 0.00 176.35 177.40 3k23 n LYS 681 N 2.03 0.13 -2.71 1.70 5.02 -1.26 -1.90 118.16 121.17 3k23 n LYS 681 Ca -0.18 0.00 -0.08 0.00 -2.02 0.00 0.00 58.31 56.03 3k23 n LYS 681 Cb 0.54 -1.02 0.10 0.00 -0.02 0.00 0.00 35.03 34.63 3k23 n LYS 681 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 3k23 n SER 682 N -0.52 -2.10 -0.26 4.39 3.41 -1.26 -4.88 113.62 112.40 3k23 n SER 682 Ca 0.00 -3.04 -0.01 0.00 -0.26 0.00 0.00 58.87 55.56 3k23 n SER 682 Cb 0.00 1.47 0.19 0.00 -0.26 0.00 0.00 64.21 65.60 3k23 n SER 682 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 3k23 h GLN 683 N 2.47 1.09 -0.55 4.33 5.75 -1.78 -1.25 115.11 125.16 3k23 h GLN 683 Ca -0.20 -0.09 0.11 0.00 -0.15 0.00 0.00 58.65 58.32 3k23 h GLN 683 Cb 1.20 -0.23 -0.11 0.00 1.07 0.00 0.00 27.48 29.41 3k23 h GLN 683 CO 0.03 0.76 -0.20 0.93 -2.65 0.00 0.00 178.83 177.69 3k23 h GLU 684 N 1.11 -0.06 -0.19 1.69 3.07 -1.96 -1.88 114.58 116.36 3k23 h GLU 684 Ca 0.29 0.00 -0.10 0.00 -0.50 0.00 0.00 59.36 59.05 3k23 h GLU 684 Cb -0.06 0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 27.87 3k23 h GLU 684 CO -0.06 -0.04 -0.28 1.25 -1.40 0.00 0.00 179.01 178.48 3k23 h LEU 685 N -0.07 0.57 -0.19 1.33 5.85 -1.81 -3.33 115.31 117.67 3k23 h LEU 685 Ca 0.26 -0.52 0.05 0.00 0.84 0.00 0.00 57.88 58.51 3k23 h LEU 685 Cb 0.47 -0.16 -0.07 0.00 0.37 0.00 0.00 40.66 41.27 3k23 h LEU 685 CO -0.60 0.98 -0.28 0.15 -0.34 0.00 0.00 178.44 178.35 3k23 h PHE 686 N 0.18 -0.77 0.00 1.25 3.57 -0.62 -2.01 116.94 118.54 3k23 h PHE 686 Ca 0.02 0.04 -0.05 0.00 3.53 0.00 0.00 57.97 61.50 3k23 h PHE 686 Cb 0.86 0.37 -0.01 0.00 2.79 0.00 0.00 35.95 39.96 3k23 h PHE 686 CO 0.09 -0.36 -0.26 -0.44 -2.23 0.00 0.00 178.31 175.11 3k23 h ASP 687 N -0.32 0.00 1.27 0.41 3.32 -1.50 -0.04 116.42 119.56 3k23 h ASP 687 Ca 0.12 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 57.01 3k23 h ASP 687 Cb 0.50 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.03 3k23 h ASP 687 CO -0.37 0.26 -0.73 -0.33 -1.72 0.00 0.00 179.24 176.34 3k23 h GLU 688 N 0.00 0.00 0.12 3.56 5.08 -1.61 -2.25 114.58 119.48 3k23 h GLU 688 Ca -0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 3k23 h GLU 688 Cb 0.59 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.85 3k23 h GLU 688 CO 0.03 0.70 -0.06 0.82 -1.00 0.00 0.00 179.01 179.51 3k23 h ILE 689 N 0.00 1.08 -0.43 3.13 2.04 -0.55 -3.02 117.51 119.76 3k23 h ILE 689 Ca -0.01 -0.99 0.12 0.00 1.00 0.00 0.00 64.86 64.98 3k23 h ILE 689 Cb 1.55 1.68 -0.02 0.00 -0.74 0.00 0.00 36.82 39.30 3k23 h ILE 689 CO 0.09 0.23 0.34 -0.09 0.00 0.00 0.00 178.15 178.72 3k23 h ARG 690 N -0.64 0.00 -0.03 2.37 2.43 -1.09 -2.33 114.38 115.09 3k23 h ARG 690 Ca -0.02 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.15 3k23 h ARG 690 Cb 0.50 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.05 3k23 h ARG 690 CO 0.03 0.00 -0.01 1.98 -1.51 0.00 0.00 179.97 180.46 3k23 h MET 691 N 0.00 0.06 0.00 0.20 4.05 -1.33 -2.37 114.93 115.54 3k23 h MET 691 Ca 0.20 -0.02 -0.04 0.00 -0.28 0.00 0.00 59.70 59.56 3k23 h MET 691 Cb 0.88 -0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.67 3k23 h MET 691 CO -0.00 0.42 -0.19 1.79 0.23 0.00 0.00 176.91 179.16 3k23 h THR 692 N -0.31 0.83 0.00 -0.77 1.35 -1.29 0.11 112.91 112.83 3k23 h THR 692 Ca 0.01 -0.73 0.00 0.00 -0.55 0.00 0.00 66.41 65.14 3k23 h THR 692 Cb 0.40 1.43 0.00 0.00 -1.73 0.00 0.00 68.15 68.25 3k23 h THR 692 CO 0.00 0.19 -0.29 1.88 -0.25 0.00 0.00 175.52 177.05 3k23 h TYR 693 N 0.00 0.00 -0.16 4.73 0.05 -1.55 -0.06 116.97 119.99 3k23 h TYR 693 Ca -0.00 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.74 3k23 h TYR 693 Cb 0.42 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.15 3k23 h TYR 693 CO 0.00 0.00 -0.05 0.82 -1.05 0.00 0.00 178.16 177.88 3k23 h ILE 694 N 0.00 1.30 0.00 -2.88 2.04 -0.26 -2.76 117.51 114.95 3k23 h ILE 694 Ca 0.00 -1.05 -0.18 0.00 1.00 0.00 0.00 64.86 64.63 3k23 h ILE 694 Cb 0.80 1.67 -0.02 0.00 -0.74 0.00 0.00 36.82 38.53 3k23 h ILE 694 CO 0.00 0.31 -0.86 0.07 0.00 0.00 0.00 178.15 177.67 3k23 h LYS 695 N -0.00 0.02 -0.51 2.37 2.10 -1.34 -2.91 116.57 116.31 3k23 h LYS 695 Ca 0.04 -0.03 -0.03 0.00 -2.00 0.00 0.00 60.65 58.63 3k23 h LYS 695 Cb 0.50 0.01 -0.02 0.00 -0.90 0.00 0.00 32.23 31.82 3k23 h LYS 695 CO 0.02 0.87 0.20 1.49 -2.00 0.00 0.00 179.45 180.03 3k23 h GLU 696 N 0.01 0.72 -0.40 0.07 4.57 -1.05 0.71 114.58 119.22 3k23 h GLU 696 Ca -0.01 -0.10 -0.01 0.00 -1.18 0.00 0.00 59.36 58.05 3k23 h GLU 696 Cb 1.52 -0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 29.96 3k23 h GLU 696 CO 0.11 0.59 0.19 1.25 -1.18 0.00 0.00 179.01 179.98 3k23 h LEU 697 N 0.72 0.52 -0.76 1.64 5.85 -1.49 -0.64 115.31 121.14 3k23 h LEU 697 Ca 0.17 -0.12 0.08 0.00 0.84 0.00 0.00 57.88 58.85 3k23 h LEU 697 Cb 0.14 -0.13 -0.07 0.00 0.37 0.00 0.00 40.66 40.97 3k23 h LEU 697 CO -0.02 0.50 0.42 1.23 -0.34 0.00 0.00 178.44 180.23 3k23 h GLY 698 N 0.51 1.15 1.63 3.75 0.00 -0.50 0.44 103.07 110.04 3k23 h GLY 698 Ca 0.14 -0.29 -0.08 0.00 0.00 0.00 0.00 47.33 47.10 3k23 h GLY 698 CO -0.02 0.13 -0.22 0.50 0.00 0.00 0.00 176.54 176.94 3k23 h LYS 699 N 0.74 0.44 0.00 4.80 1.57 0.34 0.52 116.57 124.98 3k23 h LYS 699 Ca 0.36 -0.15 -0.06 0.00 -1.87 0.00 0.00 60.65 58.92 3k23 h LYS 699 Cb 0.30 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 3k23 h LYS 699 CO -0.23 0.64 -0.30 0.00 -0.57 0.00 0.00 179.45 178.99 3k23 h ALA 700 N 1.38 1.29 0.00 3.86 0.00 0.70 0.01 119.26 126.51 3k23 h ALA 700 Ca 0.06 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.63 3k23 h ALA 700 Cb 0.60 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 3k23 h ALA 700 CO 0.04 0.37 -0.40 0.82 0.00 0.00 0.00 179.25 180.09 3k23 h ILE 701 N 0.00 1.45 -0.03 0.00 2.04 0.29 -3.34 117.51 117.92 3k23 h ILE 701 Ca -0.00 -2.24 0.01 0.00 1.00 0.00 0.00 64.86 63.63 3k23 h ILE 701 Cb 0.61 2.89 -0.00 0.00 -0.74 0.00 0.00 36.82 39.58 3k23 h ILE 701 CO 0.04 0.49 0.03 0.58 0.00 0.00 0.00 178.15 179.29 3k23 h VAL 702 N -1.00 0.59 -0.60 1.67 2.07 0.01 0.87 116.25 119.86 3k23 h VAL 702 Ca -0.11 0.00 -0.33 0.00 0.82 0.00 0.00 66.70 67.09 3k23 h VAL 702 Cb 1.06 0.98 -0.18 0.00 -1.52 0.00 0.00 31.29 31.62 3k23 h VAL 702 CO -0.07 0.00 0.42 0.29 0.02 0.00 0.00 177.57 178.23 3k23 n LYS 703 N -3.95 1.79 0.01 1.57 4.01 -0.01 -4.31 118.16 117.27 3k23 n LYS 703 Ca -0.02 -1.83 -0.02 0.00 -0.51 0.00 0.00 58.31 55.92 3k23 n LYS 703 Cb 0.12 -1.72 -0.01 0.00 -0.51 0.00 0.00 35.03 32.91 3k23 n LYS 703 CO 0.00 0.00 0.00 2.89 -1.11 0.00 0.00 177.40 179.18 3k23 n ARG 704 N -0.42 0.10 0.00 1.97 1.85 0.30 -4.97 116.66 115.49 3k23 n ARG 704 Ca 0.36 0.04 0.00 0.00 -1.00 0.00 0.00 57.85 57.25 3k23 n ARG 704 Cb 1.12 -0.68 0.00 0.00 -1.05 0.00 0.00 32.46 31.85 3k23 n ARG 704 CO 0.00 0.00 0.00 -0.85 -0.01 0.00 0.00 177.63 176.77 3k23 n GLU 705 N -3.60 0.00 0.00 2.89 0.00 -1.23 -5.15 120.64 113.55 3k23 n GLU 705 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.12 3k23 n GLU 705 Cb 0.19 -0.02 0.00 0.00 0.00 0.00 0.00 31.44 31.61 3k23 n GLU 705 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 3k23 n SER 709 N 0.00 0.00 0.09 -1.84 2.88 -1.26 -4.94 113.62 108.56 3k23 n SER 709 Ca 0.00 0.00 0.09 0.00 -1.33 0.00 0.00 58.87 57.63 3k23 n SER 709 Cb 0.00 0.00 0.41 0.00 -0.75 0.00 0.00 64.21 63.87 3k23 n SER 709 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3k23 n GLN 710 N 13.40 0.12 0.05 -1.46 1.13 -1.26 0.98 117.38 130.34 3k23 n GLN 710 Ca 0.00 0.44 0.08 0.00 -1.94 0.00 0.00 57.00 55.58 3k23 n GLN 710 Cb 0.00 -1.76 0.35 0.00 0.11 0.00 0.00 30.24 28.94 3k23 n GLN 710 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 3k23 n ASN 711 N -1.99 0.25 0.19 1.08 4.13 -1.26 -0.59 115.26 117.08 3k23 n ASN 711 Ca 0.01 0.57 0.03 0.00 1.68 0.00 0.00 54.58 56.88 3k23 n ASN 711 Cb 0.15 -0.62 0.37 0.00 -1.54 0.00 0.00 39.78 38.14 3k23 n ASN 711 CO 0.00 0.00 0.00 -0.25 0.28 0.00 0.00 177.26 177.29 3k23 h TRP 712 N 0.00 0.00 0.00 3.10 2.91 0.18 -2.57 115.95 119.58 3k23 h TRP 712 Ca 0.00 0.00 -0.06 0.00 1.13 0.00 0.00 58.89 59.96 3k23 h TRP 712 Cb 0.24 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 28.89 3k23 h TRP 712 CO 0.00 0.37 -0.31 1.96 -1.03 0.00 0.00 178.44 179.43 3k23 h GLN 713 N 0.00 0.00 0.19 2.65 1.08 -0.96 -1.04 115.11 117.03 3k23 h GLN 713 Ca -0.00 0.00 -0.31 0.00 -1.45 0.00 0.00 58.65 56.89 3k23 h GLN 713 Cb 0.67 0.00 0.02 0.00 -0.05 0.00 0.00 27.48 28.12 3k23 h GLN 713 CO 0.05 0.31 -1.36 -0.09 -0.95 0.00 0.00 178.83 176.78 3k23 h ARG 714 N 0.00 0.42 -0.83 1.46 2.43 -1.50 0.10 114.38 116.46 3k23 h ARG 714 Ca -0.00 -0.71 0.14 0.00 -0.81 0.00 0.00 59.98 58.60 3k23 h ARG 714 Cb 0.81 0.26 -0.06 0.00 -0.42 0.00 0.00 29.97 30.57 3k23 h ARG 714 CO 0.04 1.34 0.54 0.35 -1.51 0.00 0.00 179.97 180.73 3k23 h PHE 715 N 0.12 0.68 0.16 2.20 3.57 -1.19 0.68 116.94 123.16 3k23 h PHE 715 Ca -0.20 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.31 3k23 h PHE 715 Cb 2.07 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 40.60 3k23 h PHE 715 CO 0.10 0.26 -0.08 -0.92 -2.23 0.00 0.00 178.31 175.43 3k23 h TYR 716 N 0.58 -0.21 -0.81 0.41 3.20 -1.06 -2.51 116.97 116.58 3k23 h TYR 716 Ca 0.41 -0.00 0.12 0.00 3.14 0.00 0.00 58.73 62.40 3k23 h TYR 716 Cb 0.77 0.07 -0.08 0.00 1.54 0.00 0.00 36.73 39.02 3k23 h TYR 716 CO -0.00 0.16 0.43 1.96 -1.64 0.00 0.00 178.16 179.07 3k23 h GLN 717 N -0.61 0.65 0.06 1.82 1.08 0.12 -2.16 115.11 116.08 3k23 h GLN 717 Ca -0.02 -0.04 -0.27 0.00 -1.45 0.00 0.00 58.65 56.87 3k23 h GLN 717 Cb 0.46 -0.15 -0.02 0.00 -0.05 0.00 0.00 27.48 27.72 3k23 h GLN 717 CO 0.04 0.43 -1.33 -0.07 -0.95 0.00 0.00 178.83 176.95 3k23 h LEU 718 N 0.67 0.20 -0.47 1.46 3.38 0.17 -3.27 115.31 117.45 3k23 h LEU 718 Ca 0.42 -0.25 -0.17 0.00 0.09 0.00 0.00 57.88 57.96 3k23 h LEU 718 Cb 0.49 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 3k23 h LEU 718 CO -0.30 1.21 -0.57 0.71 0.09 0.00 0.00 178.44 179.57 3k23 h THR 719 N 0.03 1.32 -0.58 0.22 1.35 -1.23 -2.70 112.91 111.32 3k23 h THR 719 Ca -0.15 -1.82 0.09 0.00 -0.55 0.00 0.00 66.41 63.98 3k23 h THR 719 Cb 1.92 1.79 -0.03 0.00 -1.73 0.00 0.00 68.15 70.10 3k23 h THR 719 CO 0.14 0.57 0.39 0.11 -0.25 0.00 0.00 175.52 176.48 3k23 h LYS 720 N 0.45 0.40 -0.07 4.72 1.79 -1.51 -1.18 116.57 121.16 3k23 h LYS 720 Ca 0.00 -0.02 -0.01 0.00 -2.18 0.00 0.00 60.65 58.44 3k23 h LYS 720 Cb 1.13 -0.09 -0.00 0.00 -1.58 0.00 0.00 32.23 31.68 3k23 h LYS 720 CO 0.11 0.26 0.01 1.25 -1.08 0.00 0.00 179.45 180.01 3k23 h LEU 721 N 0.41 0.11 -1.56 2.94 5.85 -1.54 -0.71 115.31 120.81 3k23 h LEU 721 Ca 0.27 -0.25 0.10 0.00 0.84 0.00 0.00 57.88 58.83 3k23 h LEU 721 Cb 0.50 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.46 3k23 h LEU 721 CO -0.07 0.33 0.44 -0.07 -0.34 0.00 0.00 178.44 178.73 3k23 h LEU 722 N -0.12 0.44 -0.58 2.25 3.38 -1.21 -0.05 115.31 119.41 3k23 h LEU 722 Ca 0.02 0.01 -0.15 0.00 0.09 0.00 0.00 57.88 57.85 3k23 h LEU 722 Cb 0.27 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 3k23 h LEU 722 CO 0.00 0.26 -0.60 0.44 0.09 0.00 0.00 178.44 178.63 3k23 h ASP 723 N 0.49 0.40 0.71 -0.43 5.19 -0.99 -3.01 116.42 118.79 3k23 h ASP 723 Ca 0.30 -0.23 0.00 0.00 -0.62 0.00 0.00 57.03 56.49 3k23 h ASP 723 Cb 0.53 -0.12 0.00 0.00 0.18 0.00 0.00 39.33 39.93 3k23 h ASP 723 CO -0.09 0.91 0.00 -1.54 -3.12 0.00 0.00 179.24 175.39 3k23 n SER 724 N -3.90 0.00 0.05 6.45 3.41 -0.17 -2.96 113.62 116.50 3k23 n SER 724 Ca -0.03 0.17 -0.01 0.00 -0.26 0.00 0.00 58.87 58.75 3k23 n SER 724 Cb 0.62 -0.38 0.28 0.00 -0.26 0.00 0.00 64.21 64.47 3k23 n SER 724 CO 0.00 0.00 0.00 0.24 -0.16 0.00 0.00 175.04 175.12 3k23 h MET 725 N 0.00 0.39 -0.43 4.33 2.86 -1.04 -2.80 114.93 118.24 3k23 h MET 725 Ca 0.00 -0.12 0.06 0.00 -2.06 0.00 0.00 59.70 57.58 3k23 h MET 725 Cb 0.36 -0.04 -0.05 0.00 0.06 0.00 0.00 31.60 31.92 3k23 h MET 725 CO 0.00 0.56 0.13 0.45 1.06 0.00 0.00 176.91 179.10 3k23 h HIS 726 N 0.35 0.22 -0.21 -0.22 3.86 -1.67 0.29 115.15 117.77 3k23 h HIS 726 Ca 0.06 0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.26 3k23 h HIS 726 Cb 0.52 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 28.95 3k23 h HIS 726 CO 0.01 0.06 0.00 1.49 0.86 0.00 0.00 177.93 180.36 3k23 h GLU 727 N 0.28 0.37 -0.41 2.45 4.81 -1.72 -0.68 114.58 119.68 3k23 h GLU 727 Ca 0.21 -0.12 0.01 0.00 -0.13 0.00 0.00 59.36 59.33 3k23 h GLU 727 Cb 0.22 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.55 3k23 h GLU 727 CO -0.24 0.56 0.25 0.28 -0.73 0.00 0.00 179.01 179.14 3k23 h VAL 728 N 0.14 1.07 0.00 0.32 2.07 -1.21 -2.48 116.25 116.15 3k23 h VAL 728 Ca 0.06 -0.18 -0.03 0.00 0.82 0.00 0.00 66.70 67.38 3k23 h VAL 728 Cb 0.39 0.51 -0.00 0.00 -1.52 0.00 0.00 31.29 30.67 3k23 h VAL 728 CO 0.01 0.09 -0.13 0.58 0.02 0.00 0.00 177.57 178.14 3k23 h VAL 729 N 0.52 0.89 -0.26 2.57 2.07 -0.20 -2.67 116.25 119.16 3k23 h VAL 729 Ca 0.16 -0.49 -0.01 0.00 0.82 0.00 0.00 66.70 67.18 3k23 h VAL 729 Cb -0.03 1.28 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 3k23 h VAL 729 CO -0.05 0.13 0.12 -0.33 0.02 0.00 0.00 177.57 177.45 3k23 h GLU 730 N 0.00 0.39 -0.78 1.57 5.08 -0.65 -1.28 114.58 118.91 3k23 h GLU 730 Ca -0.00 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 3k23 h GLU 730 Cb 0.27 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.41 3k23 h GLU 730 CO 0.02 0.39 0.43 -0.91 -1.00 0.00 0.00 179.01 177.94 3k23 h ASN 731 N 0.29 0.96 0.50 1.42 2.35 -1.41 -2.33 115.58 117.35 3k23 h ASN 731 Ca 0.09 -0.08 -0.22 0.00 -0.55 0.00 0.00 56.30 55.54 3k23 h ASN 731 Cb 0.14 -0.24 -0.00 0.00 0.05 0.00 0.00 38.32 38.26 3k23 h ASN 731 CO -0.01 0.77 -0.96 -0.07 -1.65 0.00 0.00 177.43 175.51 3k23 h LEU 732 N 1.08 0.39 0.01 1.61 3.38 -1.39 -2.96 115.31 117.43 3k23 h LEU 732 Ca 0.27 -0.33 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 3k23 h LEU 732 Cb 0.02 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.65 3k23 h LEU 732 CO -0.05 1.15 -0.00 -0.07 0.09 0.00 0.00 178.44 179.56 3k23 h LEU 733 N 0.15 -0.01 -1.15 1.67 3.38 -0.99 -1.00 115.31 117.37 3k23 h LEU 733 Ca -0.07 -0.40 -0.08 0.00 0.09 0.00 0.00 57.88 57.43 3k23 h LEU 733 Cb 1.61 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.35 3k23 h LEU 733 CO 0.16 0.39 -0.36 0.78 0.09 0.00 0.00 178.44 179.50 3k23 h ASN 734 N -0.41 0.00 -0.13 -0.43 2.35 -1.53 0.34 115.58 115.77 3k23 h ASN 734 Ca -0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 3k23 h ASN 734 Cb 0.40 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.77 3k23 h ASN 734 CO 0.00 0.36 0.04 0.22 -1.65 0.00 0.00 177.43 176.41 3k23 h TYR 735 N 0.00 0.21 -0.25 1.19 3.20 -1.49 -0.84 116.97 118.98 3k23 h TYR 735 Ca -0.00 -0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.81 3k23 h TYR 735 Cb 0.77 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.97 3k23 h TYR 735 CO 0.00 0.32 0.01 0.00 -1.64 0.00 0.00 178.16 176.84 3k23 h PHE 737 N 0.36 0.50 -0.68 0.00 0.04 -0.31 -2.59 116.94 114.28 3k23 h PHE 737 Ca 0.08 -0.24 0.03 0.00 2.80 0.00 0.00 57.97 60.65 3k23 h PHE 737 Cb 0.24 -0.07 -0.04 0.00 2.20 0.00 0.00 35.95 38.27 3k23 h PHE 737 CO 0.01 1.01 0.42 1.96 -0.60 0.00 0.00 178.31 181.10 3k23 h GLN 738 N -0.14 0.79 0.00 1.51 4.20 -0.85 0.34 115.11 120.96 3k23 h GLN 738 Ca -0.04 -0.05 -0.04 0.00 0.06 0.00 0.00 58.65 58.59 3k23 h GLN 738 Cb 1.08 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.67 3k23 h GLN 738 CO 0.08 0.52 -0.18 1.15 -0.67 0.00 0.00 178.83 179.74 3k23 h THR 739 N 0.81 0.79 0.17 -0.54 2.02 -0.98 -1.33 112.91 113.84 3k23 h THR 739 Ca 0.28 -0.71 -0.34 0.00 0.77 0.00 0.00 66.41 66.42 3k23 h THR 739 Cb 0.04 1.42 0.01 0.00 -1.74 0.00 0.00 68.15 67.88 3k23 h THR 739 CO -0.12 0.17 -1.66 0.15 0.37 0.00 0.00 175.52 174.43 3k23 h PHE 740 N 0.00 0.64 0.00 3.16 3.57 -0.88 -3.34 116.94 120.09 3k23 h PHE 740 Ca -0.00 -0.47 0.00 0.00 3.53 0.00 0.00 57.97 61.03 3k23 h PHE 740 Cb 0.41 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.12 3k23 h PHE 740 CO 0.00 1.57 0.00 1.28 -2.23 0.00 0.00 178.31 178.93 3k23 n LEU 741 N -3.55 0.70 -4.78 0.59 4.77 0.11 -4.88 117.00 109.96 3k23 n LEU 741 Ca -0.21 0.57 -0.38 0.00 -0.03 0.00 0.00 56.01 55.96 3k23 n LEU 741 Cb 1.07 -0.36 -0.06 0.00 -2.33 0.00 0.00 43.42 41.74 3k23 n LEU 741 CO 0.52 -0.18 0.61 -1.81 -1.33 0.00 0.00 177.39 175.20 3k23 s ASP 742 N -4.31 7.38 -0.27 -1.43 1.11 -0.51 -4.99 116.67 113.66 3k23 s ASP 742 Ca 0.11 1.81 -0.10 0.00 0.18 0.00 0.00 52.55 54.54 3k23 s ASP 742 Cb 0.13 -2.56 -0.13 0.00 1.07 0.00 0.00 42.92 41.43 3k23 s ASP 742 CO 0.58 0.01 -0.32 0.29 1.18 0.00 0.00 175.17 176.91 3k23 n LYS 743 N 0.85 0.58 0.05 8.23 4.76 -1.26 -4.42 118.16 126.96 3k23 n LYS 743 Ca 0.00 0.23 0.15 0.00 -2.87 0.00 0.00 58.31 55.82 3k23 n LYS 743 Cb 0.49 -1.47 0.63 0.00 -1.84 0.00 0.00 35.03 32.85 3k23 n LYS 743 CO 0.00 0.00 0.00 1.79 -1.37 0.00 0.00 177.40 177.82 3k23 h THR 744 N -0.74 0.85 -3.15 -0.18 1.35 -2.00 -3.34 112.91 105.69 3k23 h THR 744 Ca -0.66 -0.03 -0.74 0.00 -0.55 0.00 0.00 66.41 64.43 3k23 h THR 744 Cb 1.66 0.74 -0.22 0.00 -1.73 0.00 0.00 68.15 68.60 3k23 h THR 744 CO -0.34 0.02 -0.19 0.00 -0.25 0.00 0.00 175.52 174.76 3k23 s MET 745 N -5.12 3.00 -0.54 4.72 0.00 -1.26 -5.02 119.30 115.09 3k23 s MET 745 Ca -0.06 -1.47 -0.21 0.00 0.00 0.00 0.00 55.69 53.95 3k23 s MET 745 Cb 0.19 -4.22 0.06 0.00 0.00 0.00 0.00 34.83 30.85 3k23 s MET 745 CO 0.72 -1.25 0.76 -1.54 0.00 0.00 0.00 175.02 173.71 3k23 s SER 746 N 3.20 6.26 -0.05 -1.18 1.04 -1.25 -4.80 113.70 116.91 3k23 s SER 746 Ca 0.05 -0.76 0.02 0.00 0.48 0.00 0.00 55.95 55.75 3k23 s SER 746 Cb -0.26 -2.35 0.01 0.00 0.10 0.00 0.00 66.02 63.52 3k23 s SER 746 CO 0.05 -1.05 -0.10 -0.63 0.98 0.00 0.00 173.24 172.49 3k23 s ILE 747 N 3.17 0.92 -0.08 -1.02 1.01 -1.26 -5.07 121.20 118.87 3k23 s ILE 747 Ca 0.21 -0.38 -0.30 0.00 0.00 0.00 0.00 60.65 60.17 3k23 s ILE 747 Cb -0.17 -0.85 -0.03 0.00 0.01 0.00 0.00 42.46 41.42 3k23 s ILE 747 CO 0.14 0.30 1.20 -1.61 0.00 0.00 0.00 174.94 174.97 3k23 s GLU 748 N 0.53 4.33 -0.19 2.79 8.01 -1.26 -5.02 118.70 127.90 3k23 s GLU 748 Ca -0.10 1.65 -0.06 0.00 0.01 0.00 0.00 54.97 56.48 3k23 s GLU 748 Cb -0.13 -3.59 -0.03 0.00 -4.31 0.00 0.00 34.13 26.07 3k23 s GLU 748 CO 0.02 -0.49 0.02 -0.06 0.01 0.00 0.00 175.26 174.76 3k23 s PHE 749 N 2.42 3.09 0.78 1.61 0.40 -1.26 -4.70 117.98 120.33 3k23 s PHE 749 Ca 0.55 -0.29 -0.11 0.00 -0.60 0.00 0.00 56.93 56.48 3k23 s PHE 749 Cb -0.24 -2.07 0.07 0.00 0.51 0.00 0.00 43.02 41.29 3k23 s PHE 749 CO 0.20 -0.11 1.12 -1.25 0.70 0.00 0.00 175.22 175.88 3k23 s PRO 750 N 0.78 2.04 0.24 0.24 0.04 -1.26 -4.53 135.00 132.55 3k23 s PRO 750 Ca 0.01 1.34 -0.13 0.00 0.04 0.00 0.00 61.00 62.26 3k23 s PRO 750 Cb -0.14 -1.86 0.31 0.00 0.04 0.00 0.00 34.50 32.85 3k23 s PRO 750 CO 0.02 -1.83 1.58 1.49 0.04 0.00 0.00 177.00 178.30 3k23 h GLU 751 N -1.05 -0.03 0.41 4.56 4.81 -1.99 0.50 114.58 121.79 3k23 h GLU 751 Ca -0.44 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.78 3k23 h GLU 751 Cb 1.25 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.61 3k23 h GLU 751 CO 0.49 -0.02 -0.39 0.52 -0.73 0.00 0.00 179.01 178.88 3k23 h MET 752 N -0.03 -0.78 -0.66 1.92 2.86 -1.94 0.26 114.93 116.55 3k23 h MET 752 Ca 0.37 0.05 -0.05 0.00 -2.06 0.00 0.00 59.70 58.01 3k23 h MET 752 Cb 0.60 0.18 -0.03 0.00 0.06 0.00 0.00 31.60 32.41 3k23 h MET 752 CO -0.85 -0.52 0.21 -0.07 1.06 0.00 0.00 176.91 176.74 3k23 h LEU 753 N -0.81 0.97 -0.45 1.22 3.38 -1.73 0.55 115.31 118.42 3k23 h LEU 753 Ca -0.03 -0.21 0.08 0.00 0.09 0.00 0.00 57.88 57.81 3k23 h LEU 753 Cb 0.72 -0.25 -0.07 0.00 0.09 0.00 0.00 40.66 41.15 3k23 h LEU 753 CO -0.06 0.92 0.06 0.00 0.09 0.00 0.00 178.44 179.45 3k23 h ALA 754 N 1.09 0.47 -0.11 1.53 0.00 0.24 -1.10 119.26 121.38 3k23 h ALA 754 Ca 0.21 0.11 -0.14 0.00 0.00 0.00 0.00 54.91 55.09 3k23 h ALA 754 Cb 0.29 0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.25 3k23 h ALA 754 CO -0.01 -0.34 -0.49 1.05 0.00 0.00 0.00 179.25 179.46 3k23 h GLU 755 N 0.18 0.53 0.28 0.00 9.09 0.17 -3.06 114.58 121.77 3k23 h GLU 755 Ca 0.22 -0.42 -0.01 0.00 0.05 0.00 0.00 59.36 59.20 3k23 h GLU 755 Cb 0.31 0.08 0.00 0.00 -1.65 0.00 0.00 28.75 27.49 3k23 h GLU 755 CO -0.32 1.05 -0.13 0.82 0.05 0.00 0.00 179.01 180.47 3k23 h ILE 756 N 0.13 0.75 -0.20 -1.06 2.04 -0.85 -2.83 117.51 115.49 3k23 h ILE 756 Ca -0.03 -0.61 0.03 0.00 1.00 0.00 0.00 64.86 65.24 3k23 h ILE 756 Cb 1.13 1.07 -0.05 0.00 -0.74 0.00 0.00 36.82 38.23 3k23 h ILE 756 CO 0.10 0.12 -0.35 0.40 0.00 0.00 0.00 178.15 178.43 3k23 h ILE 757 N -0.72 0.00 -0.89 -0.67 2.04 -1.32 0.87 117.51 116.83 3k23 h ILE 757 Ca -0.04 0.00 0.36 0.00 1.00 0.00 0.00 64.86 66.18 3k23 h ILE 757 Cb 0.49 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 36.42 3k23 h ILE 757 CO 0.06 0.00 0.50 0.41 0.00 0.00 0.00 178.15 179.12 3k23 n THR 758 N -4.37 -0.33 0.09 -0.27 -1.04 -1.15 -0.48 114.28 106.72 3k23 n THR 758 Ca -0.03 1.67 -0.17 0.00 -2.04 0.00 0.00 64.05 63.48 3k23 n THR 758 Cb 0.22 -2.72 -0.14 0.00 -1.82 0.00 0.00 70.33 65.87 3k23 n THR 758 CO 0.00 0.00 0.00 0.78 -0.64 0.00 0.00 175.07 175.21 3k23 h ASN 759 N 0.00 0.45 0.43 8.00 2.35 -0.64 -3.36 115.58 122.81 3k23 h ASN 759 Ca 0.72 -0.54 -0.02 0.00 -0.55 0.00 0.00 56.30 55.90 3k23 h ASN 759 Cb 1.96 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 40.19 3k23 h ASN 759 CO -0.60 1.44 -0.21 1.56 -1.65 0.00 0.00 177.43 177.97 3k23 h GLN 760 N 0.08 -0.56 -0.74 0.81 1.08 0.75 -3.32 115.11 113.21 3k23 h GLN 760 Ca -0.20 0.04 0.11 0.00 -1.45 0.00 0.00 58.65 57.14 3k23 h GLN 760 Cb 2.01 0.13 -0.11 0.00 -0.05 0.00 0.00 27.48 29.46 3k23 h GLN 760 CO 0.19 -0.28 -0.31 -0.89 -0.95 0.00 0.00 178.83 176.59 3k23 n ILE 761 N -5.26 -0.41 0.27 2.54 5.41 -0.78 0.10 119.36 121.23 3k23 n ILE 761 Ca -0.11 1.74 -0.16 0.00 1.00 0.00 0.00 62.75 65.23 3k23 n ILE 761 Cb 0.29 -2.28 -0.08 0.00 -0.71 0.00 0.00 39.64 36.85 3k23 n ILE 761 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 176.55 175.90 3k23 h PRO 762 N 0.00 -0.67 -0.92 0.38 0.11 -1.76 -3.19 132.00 125.94 3k23 h PRO 762 Ca 0.24 0.05 0.01 0.00 0.11 0.00 0.00 66.00 66.40 3k23 h PRO 762 Cb 0.42 0.15 -0.05 0.00 0.11 0.00 0.00 31.00 31.64 3k23 h PRO 762 CO -0.73 -0.45 0.60 0.87 -0.21 0.00 0.00 178.00 178.08 3k23 h LYS 763 N -0.70 1.22 -0.20 1.05 1.57 0.53 -1.82 116.57 118.23 3k23 h LYS 763 Ca -0.06 -0.08 0.06 0.00 -1.87 0.00 0.00 60.65 58.70 3k23 h LYS 763 Cb 0.57 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 3k23 h LYS 763 CO 0.06 0.82 0.22 -0.92 -0.57 0.00 0.00 179.45 179.06 3k23 h TYR 764 N 1.25 0.00 -2.72 -1.35 5.03 0.65 -3.34 116.97 116.49 3k23 h TYR 764 Ca 0.34 0.00 -0.58 0.00 2.58 0.00 0.00 58.73 61.07 3k23 h TYR 764 Cb -0.13 0.00 0.18 0.00 1.55 0.00 0.00 36.73 38.34 3k23 h TYR 764 CO 0.00 0.00 -0.69 -1.13 -1.32 0.00 0.00 178.16 175.02 3k23 n SER 765 N -3.79 -2.11 -4.71 -2.11 3.41 -0.69 -4.87 113.62 98.76 3k23 n SER 765 Ca 0.02 0.63 -0.43 0.00 -0.26 0.00 0.00 58.87 58.84 3k23 n SER 765 Cb 0.35 -1.07 -0.01 0.00 -0.26 0.00 0.00 64.21 63.21 3k23 n SER 765 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3k23 n ASN 766 N 0.98 3.00 0.00 4.04 6.94 -1.26 -3.75 115.26 125.22 3k23 n ASN 766 Ca 0.09 1.19 0.00 0.00 -0.02 0.00 0.00 54.58 55.84 3k23 n ASN 766 Cb 0.49 -1.50 0.00 0.00 -2.36 0.00 0.00 39.78 36.40 3k23 n ASN 766 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3k23 n GLY 767 N 1.13 2.43 0.00 4.83 0.00 -1.26 -4.87 105.19 107.44 3k23 n GLY 767 Ca 0.06 -0.72 0.12 0.00 0.00 0.00 0.00 46.02 45.48 3k23 n GLY 767 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3k23 n ASN 768 N 0.40 0.00 -4.15 1.61 6.94 -1.25 -4.62 115.26 114.18 3k23 n ASN 768 Ca 0.00 0.42 -0.34 0.00 -0.02 0.00 0.00 54.58 54.64 3k23 n ASN 768 Cb 0.00 -0.47 -0.15 0.00 -2.36 0.00 0.00 39.78 36.80 3k23 n ASN 768 CO 0.00 0.00 0.00 -0.51 -1.03 0.00 0.00 177.26 175.72 3k23 s ILE 769 N -2.94 2.59 -0.04 1.53 2.07 -1.25 -2.00 121.20 121.17 3k23 s ILE 769 Ca 0.14 -1.18 -0.15 0.00 -1.41 0.00 0.00 60.65 58.04 3k23 s ILE 769 Cb 0.16 -2.34 -0.05 0.00 0.13 0.00 0.00 42.46 40.36 3k23 s ILE 769 CO 0.45 0.18 0.41 -0.75 -1.91 0.00 0.00 174.94 173.31 3k23 s LYS 770 N 1.26 4.02 -0.27 3.50 2.20 0.90 -4.81 119.74 126.53 3k23 s LYS 770 Ca -0.02 0.38 -0.06 0.00 -0.36 0.00 0.00 55.97 55.92 3k23 s LYS 770 Cb -0.17 -3.28 0.01 0.00 -1.51 0.00 0.00 37.83 32.88 3k23 s LYS 770 CO -0.06 0.55 0.04 0.15 -0.36 0.00 0.00 175.35 175.67 3k23 s LYS 771 N -0.62 3.14 0.40 4.03 1.02 -1.26 -1.88 119.74 124.57 3k23 s LYS 771 Ca 0.23 -0.81 -0.24 0.00 0.02 0.00 0.00 55.97 55.17 3k23 s LYS 771 Cb -0.16 -3.26 -0.09 0.00 -0.52 0.00 0.00 37.83 33.81 3k23 s LYS 771 CO 0.12 -0.38 1.10 -0.51 -0.92 0.00 0.00 175.35 174.76 3k23 s LEU 772 N 1.48 4.16 0.06 3.17 1.43 -0.65 -5.01 118.68 123.31 3k23 s LEU 772 Ca 0.03 2.18 0.03 0.00 -1.03 0.00 0.00 54.13 55.34 3k23 s LEU 772 Cb -0.16 -4.12 -0.03 0.00 0.03 0.00 0.00 46.19 41.91 3k23 s LEU 772 CO 0.01 -0.59 -0.11 -0.76 0.23 0.00 0.00 176.35 175.13 3k23 s LEU 773 N -2.59 2.28 -0.04 1.79 1.43 -1.26 -4.91 118.68 115.37 3k23 s LEU 773 Ca 0.58 -0.60 0.20 0.00 -1.03 0.00 0.00 54.13 53.28 3k23 s LEU 773 Cb -0.26 -0.32 -0.26 0.00 0.03 0.00 0.00 46.19 45.39 3k23 s LEU 773 CO 0.32 -0.16 0.47 0.49 0.23 0.00 0.00 176.35 177.71 3k23 n PHE 774 N 1.31 0.23 -4.36 0.29 3.72 -1.26 -5.00 117.46 112.38 3k23 n PHE 774 Ca -0.22 0.07 -0.19 0.00 -0.05 0.00 0.00 57.45 57.06 3k23 n PHE 774 Cb 0.55 -0.75 -0.09 0.00 -0.94 0.00 0.00 39.48 38.24 3k23 n PHE 774 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 176.76 175.70 3k23 s HIS 775 N -3.16 1.64 0.00 1.38 3.76 -1.26 -5.07 115.29 112.58 3k23 s HIS 775 Ca -0.07 -1.29 0.00 0.00 -0.15 0.00 0.00 55.06 53.55 3k23 s HIS 775 Cb 0.11 -0.94 0.00 0.00 1.11 0.00 0.00 32.58 32.86 3k23 s HIS 775 CO 0.86 -0.41 0.32 1.04 -0.85 0.00 0.00 174.74 175.71