#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rkp h GLU 536 N 0.00 0.00 0.00 5.31 5.08 -2.05 -3.21 114.58 119.70 1rkp h GLU 536 Ca 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1rkp h GLU 536 Cb 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 1rkp h GLU 536 CO 0.00 0.90 -0.03 0.00 -1.00 0.00 0.00 179.01 178.88 1rkp h THR 537 N -1.00 0.26 -0.18 1.13 1.03 -2.05 0.48 112.91 112.58 1rkp h THR 537 Ca -0.28 -0.19 -0.19 0.00 -0.01 0.00 0.00 66.41 65.73 1rkp h THR 537 Cb 1.19 1.15 0.01 0.00 -1.07 0.00 0.00 68.15 69.42 1rkp h THR 537 CO -0.17 0.03 -0.64 -0.09 -0.01 0.00 0.00 175.52 174.64 1rkp h ARG 538 N 0.00 0.75 -0.66 0.00 2.43 -2.00 0.14 114.38 115.04 1rkp h ARG 538 Ca -0.00 -0.57 -0.07 0.00 -0.81 0.00 0.00 59.98 58.53 1rkp h ARG 538 Cb 0.14 0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.77 1rkp h ARG 538 CO 0.00 1.19 0.12 1.49 -1.51 0.00 0.00 179.97 181.26 1rkp h GLU 539 N 0.47 1.08 -0.57 0.20 4.81 -0.99 -1.21 114.58 118.37 1rkp h GLU 539 Ca -0.03 -0.28 -0.06 0.00 -0.13 0.00 0.00 59.36 58.87 1rkp h GLU 539 Cb 1.27 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 30.49 1rkp h GLU 539 CO 0.14 0.98 0.14 1.25 -0.73 0.00 0.00 179.01 180.78 1rkp h LEU 540 N 1.02 0.87 -0.31 1.64 5.85 -0.93 -0.45 115.31 123.00 1rkp h LEU 540 Ca 0.20 -0.24 0.02 0.00 0.84 0.00 0.00 57.88 58.70 1rkp h LEU 540 Cb 0.42 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 1rkp h LEU 540 CO 0.01 0.88 0.17 -0.61 -0.34 0.00 0.00 178.44 178.55 1rkp h GLN 541 N 0.82 0.35 -0.44 1.25 4.15 -0.61 0.26 115.11 120.89 1rkp h GLN 541 Ca 0.18 -0.02 -0.04 0.00 0.77 0.00 0.00 58.65 59.54 1rkp h GLN 541 Cb 0.35 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 27.94 1rkp h GLN 541 CO 0.00 0.23 0.12 0.77 -1.93 0.00 0.00 178.83 178.03 1rkp h SER 542 N 0.36 0.66 -0.17 -0.69 0.02 -0.98 -1.95 113.55 110.80 1rkp h SER 542 Ca 0.13 -0.22 -0.03 0.00 -0.84 0.00 0.00 61.79 60.83 1rkp h SER 542 Cb 0.01 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.38 1rkp h SER 542 CO -0.07 0.70 -0.01 0.25 -1.14 0.00 0.00 176.83 176.57 1rkp h LEU 543 N 0.58 0.30 -1.69 5.07 5.85 -0.89 -1.82 115.31 122.70 1rkp h LEU 543 Ca 0.14 -0.32 -0.02 0.00 0.84 0.00 0.00 57.88 58.52 1rkp h LEU 543 Cb 0.29 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 1rkp h LEU 543 CO -0.00 0.55 -0.02 0.00 -0.34 0.00 0.00 178.44 178.63 1rkp h ALA 544 N 0.76 1.75 0.00 1.25 0.00 -0.91 -2.56 119.26 119.55 1rkp h ALA 544 Ca 0.05 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1rkp h ALA 544 Cb 0.40 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1rkp h ALA 544 CO 0.01 0.19 -0.69 0.00 0.00 0.00 0.00 179.25 178.76 1rkp h ALA 545 N 1.82 0.55 -2.53 0.00 0.00 -1.28 -3.48 119.26 114.34 1rkp h ALA 545 Ca 0.04 0.00 -0.50 0.00 0.00 0.00 0.00 54.91 54.46 1rkp h ALA 545 Cb 0.15 0.00 0.07 0.00 0.00 0.00 0.00 17.79 18.00 1rkp h ALA 545 CO 0.00 0.00 0.42 0.00 0.00 0.00 0.00 179.25 179.67 1rkp s ALA 546 N -3.19 2.72 0.19 0.00 0.00 -0.69 -5.01 121.76 115.77 1rkp s ALA 546 Ca 0.05 0.75 -0.22 0.00 0.00 0.00 0.00 51.96 52.55 1rkp s ALA 546 Cb 0.13 -3.33 -0.08 0.00 0.00 0.00 0.00 23.12 19.84 1rkp s ALA 546 CO 0.73 -0.72 0.74 0.54 0.00 0.00 0.00 175.76 177.05 1rkp s VAL 547 N -1.87 4.50 -0.52 0.00 0.11 -1.26 -5.02 120.40 116.34 1rkp s VAL 547 Ca 0.71 1.45 -0.17 0.00 -2.93 0.00 0.00 61.98 61.04 1rkp s VAL 547 Cb -0.22 -3.97 0.09 0.00 -1.53 0.00 0.00 36.38 30.75 1rkp s VAL 547 CO 0.27 0.35 0.51 -0.69 -3.33 0.00 0.00 175.10 172.21 1rkp s VAL 548 N -1.35 5.11 0.85 2.04 1.01 -1.26 -5.07 120.40 121.72 1rkp s VAL 548 Ca 0.39 -1.09 -0.12 0.00 0.00 0.00 0.00 61.98 61.17 1rkp s VAL 548 Cb -0.19 -4.27 0.11 0.00 0.00 0.00 0.00 36.38 32.02 1rkp s VAL 548 CO 0.23 -0.78 1.17 -2.16 0.00 0.00 0.00 175.10 173.55 1rkp s PRO 549 N 1.94 1.46 0.98 2.72 0.04 -1.26 -4.97 135.00 135.91 1rkp s PRO 549 Ca 0.07 1.61 -0.11 0.00 0.04 0.00 0.00 61.00 62.60 1rkp s PRO 549 Cb -0.25 -1.77 0.18 0.00 0.04 0.00 0.00 34.50 32.70 1rkp s PRO 549 CO 0.06 -2.32 1.11 -1.54 0.04 0.00 0.00 177.00 174.36 1rkp s SER 550 N -2.50 2.41 0.21 6.66 1.04 -1.26 -4.79 113.70 115.47 1rkp s SER 550 Ca 0.69 2.01 -0.09 0.00 0.48 0.00 0.00 55.95 59.04 1rkp s SER 550 Cb -0.25 -2.50 0.17 0.00 0.10 0.00 0.00 66.02 63.54 1rkp s SER 550 CO 0.54 -3.39 1.86 0.00 0.98 0.00 0.00 173.24 173.23 1rkp h ALA 551 N -2.07 1.02 -0.29 5.32 0.00 -1.93 -1.63 119.26 119.68 1rkp h ALA 551 Ca -0.48 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.34 1rkp h ALA 551 Cb 1.28 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1rkp h ALA 551 CO 0.44 0.48 0.18 0.37 0.00 0.00 0.00 179.25 180.72 1rkp h GLN 552 N 1.09 0.40 -0.64 0.00 4.15 -1.97 -0.98 115.11 117.16 1rkp h GLN 552 Ca 0.29 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.66 1rkp h GLN 552 Cb -0.05 -0.08 -0.03 0.00 0.21 0.00 0.00 27.48 27.53 1rkp h GLN 552 CO -0.05 0.31 0.35 1.15 -1.93 0.00 0.00 178.83 178.65 1rkp h THR 553 N 0.38 1.20 -0.00 2.39 2.02 -1.82 -2.52 112.91 114.54 1rkp h THR 553 Ca 0.11 -0.49 0.00 0.00 0.77 0.00 0.00 66.41 66.79 1rkp h THR 553 Cb 0.01 0.33 0.00 0.00 -1.74 0.00 0.00 68.15 66.75 1rkp h THR 553 CO -0.02 0.22 -0.13 0.18 0.37 0.00 0.00 175.52 176.14 1rkp n LEU 554 N -4.38 0.14 -0.63 2.58 4.77 -0.65 -4.93 117.00 113.91 1rkp n LEU 554 Ca 0.06 0.35 -0.08 0.00 -0.03 0.00 0.00 56.01 56.31 1rkp n LEU 554 Cb 0.10 -0.42 -0.04 0.00 -2.33 0.00 0.00 43.42 40.73 1rkp n LEU 554 CO 0.37 0.03 -0.08 0.29 -1.33 0.00 0.00 177.39 176.68 1rkp n LYS 555 N -1.47 -1.38 0.00 3.23 5.02 -0.41 -4.87 118.16 118.28 1rkp n LYS 555 Ca 0.07 0.74 0.09 0.00 -2.02 0.00 0.00 58.31 57.19 1rkp n LYS 555 Cb 0.33 -4.94 0.48 0.00 -0.02 0.00 0.00 35.03 30.88 1rkp n LYS 555 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 1rkp n ILE 556 N -2.36 0.36 0.76 -0.18 -5.35 -1.17 -2.21 119.36 109.20 1rkp n ILE 556 Ca -0.08 0.09 0.12 0.00 -0.27 0.00 0.00 62.75 62.60 1rkp n ILE 556 Cb 0.47 -0.79 0.16 0.00 -1.74 0.00 0.00 39.64 37.74 1rkp n ILE 556 CO 0.00 0.00 0.00 0.41 -1.76 0.00 0.00 176.55 175.20 1rkp n THR 557 N -1.22 0.16 -2.75 7.28 -1.04 -1.26 -4.17 114.28 111.28 1rkp n THR 557 Ca 0.10 -0.15 -0.42 0.00 -2.04 0.00 0.00 64.05 61.54 1rkp n THR 557 Cb 0.12 0.13 -0.03 0.00 -1.82 0.00 0.00 70.33 68.73 1rkp n THR 557 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 1rkp s ASP 558 N -3.63 7.30 0.53 8.00 1.01 -0.94 -4.54 116.67 124.40 1rkp s ASP 558 Ca 0.08 1.57 0.28 0.00 0.71 0.00 0.00 52.55 55.19 1rkp s ASP 558 Cb 0.15 -2.55 1.46 0.00 1.01 0.00 0.00 42.92 43.00 1rkp s ASP 558 CO 0.73 -0.28 2.07 -0.26 0.21 0.00 0.00 175.17 177.64 1rkp h PHE 559 N 6.87 0.00 -0.05 4.23 -1.00 -1.90 -1.85 116.94 123.24 1rkp h PHE 559 Ca -0.39 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.39 1rkp h PHE 559 Cb 1.20 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.76 1rkp h PHE 559 CO 0.68 0.11 0.00 0.43 -1.61 0.00 0.00 178.31 177.93 1rkp n SER 560 N -3.61 0.45 -4.48 2.17 7.64 -1.26 -4.87 113.62 109.66 1rkp n SER 560 Ca -0.02 -1.53 -0.44 0.00 1.01 0.00 0.00 58.87 57.89 1rkp n SER 560 Cb 0.24 -0.03 -0.01 0.00 -1.01 0.00 0.00 64.21 63.40 1rkp n SER 560 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 1rkp n PHE 561 N -0.47 0.09 -4.03 1.43 7.35 -0.70 -4.78 117.46 116.36 1rkp n PHE 561 Ca 0.14 0.73 -0.11 0.00 -0.76 0.00 0.00 57.45 57.44 1rkp n PHE 561 Cb 0.13 -2.07 -0.11 0.00 0.35 0.00 0.00 39.48 37.78 1rkp n PHE 561 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 1rkp s SER 562 N -0.83 0.56 0.00 -2.13 0.15 -1.26 -5.03 113.70 105.16 1rkp s SER 562 Ca 0.62 -0.49 0.08 0.00 0.70 0.00 0.00 55.95 56.87 1rkp s SER 562 Cb -0.72 0.06 0.06 0.00 -1.71 0.00 0.00 66.02 63.71 1rkp s SER 562 CO 0.58 -0.22 0.75 -0.90 1.20 0.00 0.00 173.24 174.65 1rkp n ASP 563 N 1.66 1.65 -0.31 5.45 5.75 -1.26 -4.74 116.55 124.75 1rkp n ASP 563 Ca -0.22 -1.32 0.19 0.00 -0.01 0.00 0.00 54.79 53.42 1rkp n ASP 563 Cb 0.55 0.04 0.45 0.00 -1.03 0.00 0.00 41.12 41.14 1rkp n ASP 563 CO 0.00 0.00 0.00 -0.26 -0.11 0.00 0.00 177.20 176.83 1rkp h PHE 564 N 1.59 0.75 -0.01 2.11 0.04 -2.02 -0.45 116.94 118.96 1rkp h PHE 564 Ca 0.00 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.79 1rkp h PHE 564 Cb 0.35 -0.22 0.00 0.00 2.20 0.00 0.00 35.95 38.27 1rkp h PHE 564 CO 0.00 0.14 -0.00 -0.85 -0.60 0.00 0.00 178.31 176.99 1rkp n GLU 565 N -4.64 1.39 -3.78 1.51 0.00 -1.26 -4.91 120.64 108.96 1rkp n GLU 565 Ca 0.23 -0.60 -0.34 0.00 0.00 0.00 0.00 57.16 56.46 1rkp n GLU 565 Cb 0.73 -1.49 -0.05 0.00 0.00 0.00 0.00 31.44 30.64 1rkp n GLU 565 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 1rkp s LEU 566 N -2.02 4.36 0.62 -1.84 1.43 -0.18 -5.11 118.68 115.94 1rkp s LEU 566 Ca 0.41 0.51 -0.03 0.00 -1.03 0.00 0.00 54.13 54.00 1rkp s LEU 566 Cb 0.21 -2.78 0.04 0.00 0.03 0.00 0.00 46.19 43.70 1rkp s LEU 566 CO 0.35 0.22 0.90 -0.94 0.23 0.00 0.00 176.35 177.11 1rkp s SER 567 N -1.90 5.11 0.17 2.29 1.04 -1.26 -4.91 113.70 114.25 1rkp s SER 567 Ca 0.30 0.29 -0.14 0.00 0.48 0.00 0.00 55.95 56.89 1rkp s SER 567 Cb -0.13 -1.10 0.09 0.00 0.10 0.00 0.00 66.02 64.99 1rkp s SER 567 CO 0.19 -1.33 1.81 0.44 0.98 0.00 0.00 173.24 175.32 1rkp h ASP 568 N -0.26 0.47 -0.72 7.02 3.32 -1.99 -1.91 116.42 122.35 1rkp h ASP 568 Ca -0.44 0.01 0.11 0.00 0.02 0.00 0.00 57.03 56.73 1rkp h ASP 568 Cb 1.30 -0.09 -0.08 0.00 0.22 0.00 0.00 39.33 40.68 1rkp h ASP 568 CO 0.57 0.33 0.32 0.25 -1.72 0.00 0.00 179.24 178.99 1rkp h LEU 569 N 0.58 0.37 -1.08 1.55 5.85 -2.00 -1.05 115.31 119.54 1rkp h LEU 569 Ca 0.20 0.08 -0.06 0.00 0.84 0.00 0.00 57.88 58.94 1rkp h LEU 569 Cb 0.03 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.07 1rkp h LEU 569 CO -0.10 0.19 0.02 -0.33 -0.34 0.00 0.00 178.44 177.89 1rkp h GLU 570 N 0.52 0.67 -0.28 1.25 5.08 -1.76 -1.51 114.58 118.56 1rkp h GLU 570 Ca 0.37 -0.15 -0.13 0.00 -1.00 0.00 0.00 59.36 58.45 1rkp h GLU 570 Cb 0.47 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 1rkp h GLU 570 CO -0.32 0.67 -0.35 1.79 -1.00 0.00 0.00 179.01 179.80 1rkp h THR 571 N 0.64 1.29 -0.75 1.13 1.35 -0.50 -1.44 112.91 114.63 1rkp h THR 571 Ca 0.13 -1.50 -0.05 0.00 -0.55 0.00 0.00 66.41 64.45 1rkp h THR 571 Cb 0.36 1.45 -0.03 0.00 -1.73 0.00 0.00 68.15 68.21 1rkp h THR 571 CO 0.01 0.48 0.26 0.00 -0.25 0.00 0.00 175.52 176.02 1rkp h ALA 572 N 1.08 0.97 -0.45 6.62 0.00 -0.80 -0.27 119.26 126.42 1rkp h ALA 572 Ca 0.05 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.66 1rkp h ALA 572 Cb 0.86 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1rkp h ALA 572 CO 0.07 0.63 -0.08 -0.07 0.00 0.00 0.00 179.25 179.80 1rkp h LEU 573 N 1.09 0.78 -0.85 0.00 3.38 -1.03 -1.36 115.31 117.32 1rkp h LEU 573 Ca 0.24 -0.22 -0.07 0.00 0.09 0.00 0.00 57.88 57.92 1rkp h LEU 573 Cb 0.27 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1rkp h LEU 573 CO -0.01 0.90 0.04 0.00 0.09 0.00 0.00 178.44 179.45 1rkp h THR 575 N 0.84 1.26 -0.57 0.00 2.02 -0.60 -1.43 112.91 114.44 1rkp h THR 575 Ca 0.17 -1.24 -0.04 0.00 0.77 0.00 0.00 66.41 66.06 1rkp h THR 575 Cb 0.44 1.05 -0.02 0.00 -1.74 0.00 0.00 68.15 67.88 1rkp h THR 575 CO 0.02 0.43 0.18 0.40 0.37 0.00 0.00 175.52 176.92 1rkp h ILE 576 N 0.77 1.24 -0.60 3.11 2.04 -0.96 -2.45 117.51 120.66 1rkp h ILE 576 Ca 0.12 -0.80 -0.01 0.00 1.00 0.00 0.00 64.86 65.18 1rkp h ILE 576 Cb 0.65 0.69 -0.03 0.00 -0.74 0.00 0.00 36.82 37.39 1rkp h ILE 576 CO 0.05 0.30 0.35 -0.09 0.00 0.00 0.00 178.15 178.76 1rkp h ARG 577 N 0.79 0.82 0.09 2.37 9.65 -0.93 0.68 114.38 127.85 1rkp h ARG 577 Ca 0.18 -0.07 -0.00 0.00 -1.10 0.00 0.00 59.98 58.99 1rkp h ARG 577 Cb 0.28 -0.17 0.00 0.00 -1.39 0.00 0.00 29.97 28.68 1rkp h ARG 577 CO -0.01 0.58 -0.05 0.52 2.80 0.00 0.00 179.97 183.82 1rkp h MET 578 N 0.83 -0.12 -0.82 0.20 2.86 -0.90 0.11 114.93 117.09 1rkp h MET 578 Ca 0.22 0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.86 1rkp h MET 578 Cb -0.02 0.03 -0.04 0.00 0.06 0.00 0.00 31.60 31.63 1rkp h MET 578 CO -0.04 0.02 0.49 0.74 1.06 0.00 0.00 176.91 179.18 1rkp h PHE 579 N -0.24 1.08 0.28 -0.22 -1.00 -0.98 -2.06 116.94 113.82 1rkp h PHE 579 Ca -0.01 -0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.75 1rkp h PHE 579 Cb 0.20 -0.35 0.00 0.00 3.61 0.00 0.00 35.95 39.40 1rkp h PHE 579 CO -0.04 0.73 -0.14 1.15 -1.61 0.00 0.00 178.31 178.40 1rkp h THR 580 N 1.12 0.76 0.00 -1.55 2.02 -0.68 -0.70 112.91 113.88 1rkp h THR 580 Ca 0.29 -0.40 -0.02 0.00 0.77 0.00 0.00 66.41 67.05 1rkp h THR 580 Cb -0.04 0.98 -0.00 0.00 -1.74 0.00 0.00 68.15 67.35 1rkp h THR 580 CO -0.05 0.09 -0.11 0.44 0.37 0.00 0.00 175.52 176.25 1rkp h ASP 581 N -0.59 0.00 -0.23 4.18 5.19 -0.75 -0.76 116.42 123.46 1rkp h ASP 581 Ca -0.04 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.37 1rkp h ASP 581 Cb 0.43 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.94 1rkp h ASP 581 CO 0.06 0.11 0.00 0.18 -3.12 0.00 0.00 179.24 176.48 1rkp n LEU 582 N -3.33 1.30 -1.16 1.55 4.77 -0.78 -4.89 117.00 114.45 1rkp n LEU 582 Ca -0.00 -0.63 -0.15 0.00 -0.03 0.00 0.00 56.01 55.19 1rkp n LEU 582 Cb 0.32 -0.15 -0.06 0.00 -2.33 0.00 0.00 43.42 41.19 1rkp n LEU 582 CO 0.30 0.32 -0.14 0.59 -1.33 0.00 0.00 177.39 177.12 1rkp n ASN 583 N 0.19 -5.39 0.05 -1.43 3.02 -0.29 -4.87 115.26 106.54 1rkp n ASN 583 Ca 0.09 0.37 -0.08 0.00 -0.03 0.00 0.00 54.58 54.94 1rkp n ASN 583 Cb 0.21 -4.22 0.07 0.00 -0.61 0.00 0.00 39.78 35.23 1rkp n ASN 583 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1rkp h LEU 584 N 0.00 0.43 -0.75 3.41 3.38 -1.31 0.44 115.31 120.92 1rkp h LEU 584 Ca -0.31 -0.26 -0.09 0.00 0.09 0.00 0.00 57.88 57.31 1rkp h LEU 584 Cb 1.18 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.78 1rkp h LEU 584 CO 0.45 0.96 -0.06 0.58 0.09 0.00 0.00 178.44 180.46 1rkp h VAL 585 N 0.27 1.26 0.07 1.22 2.07 -1.81 -2.40 116.25 116.93 1rkp h VAL 585 Ca -0.01 -1.15 -0.00 0.00 0.82 0.00 0.00 66.70 66.35 1rkp h VAL 585 Cb 1.19 0.94 0.00 0.00 -1.52 0.00 0.00 31.29 31.90 1rkp h VAL 585 CO 0.11 0.40 -0.03 -0.61 0.02 0.00 0.00 177.57 177.46 1rkp h GLN 586 N 0.81 -0.09 -0.01 1.57 4.15 -1.85 -1.76 115.11 117.93 1rkp h GLN 586 Ca 0.14 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.57 1rkp h GLN 586 Cb 0.57 0.02 -0.00 0.00 0.21 0.00 0.00 27.48 28.28 1rkp h GLN 586 CO 0.03 0.30 0.04 -0.91 -1.93 0.00 0.00 178.83 176.36 1rkp h ASN 587 N -0.98 0.00 0.00 -0.69 2.35 -0.98 -2.59 115.58 112.69 1rkp h ASN 587 Ca -0.01 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.74 1rkp h ASN 587 Cb 0.42 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.79 1rkp h ASN 587 CO 0.02 0.00 -0.17 0.49 -1.65 0.00 0.00 177.43 176.12 1rkp n PHE 588 N -3.29 0.00 -4.07 1.19 3.72 -0.90 -5.03 117.46 109.08 1rkp n PHE 588 Ca -0.03 -0.74 -0.42 0.00 -0.05 0.00 0.00 57.45 56.21 1rkp n PHE 588 Cb 0.11 -0.13 0.01 0.00 -0.94 0.00 0.00 39.48 38.54 1rkp n PHE 588 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1rkp n GLN 589 N -1.02 -0.31 -2.87 -1.08 6.02 -0.98 -4.34 117.38 112.80 1rkp n GLN 589 Ca 0.12 -0.00 -0.40 0.00 -0.01 0.00 0.00 57.00 56.70 1rkp n GLN 589 Cb 0.67 -2.15 -0.05 0.00 1.02 0.00 0.00 30.24 29.72 1rkp n GLN 589 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 1rkp s MET 590 N -7.25 4.61 0.18 -1.09 -1.94 -0.69 -4.79 119.30 108.32 1rkp s MET 590 Ca 0.42 1.25 -0.29 0.00 -1.71 0.00 0.00 55.69 55.37 1rkp s MET 590 Cb -0.24 -3.34 -0.08 0.00 2.01 0.00 0.00 34.83 33.18 1rkp s MET 590 CO 0.88 0.33 0.90 0.15 -0.01 0.00 0.00 175.02 177.28 1rkp s LYS 591 N -0.34 4.74 0.17 2.03 1.02 -1.26 -4.93 119.74 121.17 1rkp s LYS 591 Ca 0.41 1.39 -0.19 0.00 0.02 0.00 0.00 55.97 57.60 1rkp s LYS 591 Cb -0.22 -3.31 0.09 0.00 -0.52 0.00 0.00 37.83 33.87 1rkp s LYS 591 CO 0.27 0.44 1.64 1.25 -0.92 0.00 0.00 175.35 178.02 1rkp h HIS 592 N 4.65 -0.49 -0.26 3.18 -0.00 -1.99 -1.57 115.15 118.67 1rkp h HIS 592 Ca -0.45 0.04 -0.02 0.00 -0.00 0.00 0.00 60.37 59.94 1rkp h HIS 592 Cb 1.20 0.28 -0.01 0.00 -0.00 0.00 0.00 27.41 28.88 1rkp h HIS 592 CO 0.63 -0.28 0.06 1.05 -0.00 0.00 0.00 177.93 179.39 1rkp h GLU 593 N -0.13 0.36 -0.12 5.26 9.09 -1.95 -1.32 114.58 125.78 1rkp h GLU 593 Ca 0.19 -0.05 -0.04 0.00 0.05 0.00 0.00 59.36 59.51 1rkp h GLU 593 Cb 0.42 -0.07 -0.00 0.00 -1.65 0.00 0.00 28.75 27.45 1rkp h GLU 593 CO -0.46 0.34 -0.10 0.28 0.05 0.00 0.00 179.01 179.12 1rkp h VAL 594 N 0.36 1.35 -0.78 -1.06 2.07 -1.54 -1.29 116.25 115.36 1rkp h VAL 594 Ca 0.09 -1.23 -0.00 0.00 0.82 0.00 0.00 66.70 66.38 1rkp h VAL 594 Cb 0.15 1.91 -0.04 0.00 -1.52 0.00 0.00 31.29 31.78 1rkp h VAL 594 CO -0.00 0.35 0.49 0.25 0.02 0.00 0.00 177.57 178.68 1rkp h LEU 595 N -0.11 0.93 -0.19 2.57 5.85 -1.06 0.19 115.31 123.49 1rkp h LEU 595 Ca 0.02 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 1rkp h LEU 595 Cb 0.61 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.40 1rkp h LEU 595 CO 0.03 0.71 0.09 0.00 -0.34 0.00 0.00 178.44 178.93 1rkp h ARG 597 N 0.18 0.67 -0.18 0.00 2.43 -0.97 -1.49 114.38 115.03 1rkp h ARG 597 Ca 0.06 -0.07 0.01 0.00 -0.81 0.00 0.00 59.98 59.18 1rkp h ARG 597 Cb 0.11 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.51 1rkp h ARG 597 CO -0.01 0.52 0.07 2.35 -1.51 0.00 0.00 179.97 181.39 1rkp h TRP 598 N 0.65 0.13 -0.69 2.20 7.01 -0.75 0.33 115.95 124.83 1rkp h TRP 598 Ca 0.17 0.01 0.04 0.00 2.11 0.00 0.00 58.89 61.22 1rkp h TRP 598 Cb 0.03 -0.03 -0.05 0.00 -2.10 0.00 0.00 29.16 27.01 1rkp h TRP 598 CO -0.02 0.07 0.42 0.82 -2.79 0.00 0.00 178.44 176.94 1rkp h ILE 599 N 0.16 1.06 -0.16 2.65 2.04 -0.92 -0.04 117.51 122.29 1rkp h ILE 599 Ca 0.08 -0.28 -0.10 0.00 1.00 0.00 0.00 64.86 65.56 1rkp h ILE 599 Cb 0.04 0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 36.28 1rkp h ILE 599 CO -0.07 0.15 -0.34 -0.07 0.00 0.00 0.00 178.15 177.82 1rkp h LEU 600 N 0.80 0.33 -0.33 1.44 3.38 -0.79 -0.61 115.31 119.53 1rkp h LEU 600 Ca 0.29 -0.13 -0.11 0.00 0.09 0.00 0.00 57.88 58.02 1rkp h LEU 600 Cb 0.07 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1rkp h LEU 600 CO -0.13 0.66 -0.24 0.28 0.09 0.00 0.00 178.44 179.10 1rkp h SER 601 N 0.28 0.78 0.36 -0.43 0.02 -0.27 -0.60 113.55 113.69 1rkp h SER 601 Ca 0.03 -0.44 -0.01 0.00 -0.84 0.00 0.00 61.79 60.53 1rkp h SER 601 Cb 0.74 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 63.06 1rkp h SER 601 CO 0.06 1.06 -0.23 0.58 -1.14 0.00 0.00 176.83 177.15 1rkp h VAL 602 N 0.52 0.51 -0.52 2.27 2.07 -0.75 -1.80 116.25 118.55 1rkp h VAL 602 Ca 0.06 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.66 1rkp h VAL 602 Cb 0.80 0.51 -0.06 0.00 -1.52 0.00 0.00 31.29 31.01 1rkp h VAL 602 CO 0.06 0.00 0.16 0.50 0.02 0.00 0.00 177.57 178.31 1rkp h LYS 603 N -0.57 0.31 -0.02 1.57 3.64 -1.08 -1.04 116.57 119.37 1rkp h LYS 603 Ca -0.03 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.33 1rkp h LYS 603 Cb 0.48 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.23 1rkp h LYS 603 CO 0.03 0.21 0.03 -0.22 -2.27 0.00 0.00 179.45 177.22 1rkp h LYS 604 N 0.32 0.00 -0.59 1.90 3.64 -0.79 -2.66 116.57 118.39 1rkp h LYS 604 Ca 0.26 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.64 1rkp h LYS 604 Cb 0.31 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 1rkp h LYS 604 CO -0.29 0.00 0.00 0.09 -2.27 0.00 0.00 179.45 176.98 1rkp n ASN 605 N -3.82 2.93 -4.73 4.20 3.02 -0.40 -4.79 115.26 111.68 1rkp n ASN 605 Ca -0.02 -2.26 -0.27 0.00 -0.03 0.00 0.00 54.58 52.00 1rkp n ASN 605 Cb 0.12 -0.44 -0.07 0.00 -0.61 0.00 0.00 39.78 38.78 1rkp n ASN 605 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1rkp s TYR 606 N -1.71 3.01 -0.34 3.10 1.51 -1.01 -0.54 117.35 121.38 1rkp s TYR 606 Ca 0.29 -0.06 -0.11 0.00 -1.01 0.00 0.00 57.07 56.18 1rkp s TYR 606 Cb 0.19 -1.48 -0.00 0.00 -0.11 0.00 0.00 41.96 40.56 1rkp s TYR 606 CO 0.14 0.51 0.20 1.03 -1.11 0.00 0.00 175.55 176.32 1rkp s ARG 607 N -2.84 3.28 0.50 -0.62 0.52 -1.26 -4.83 118.95 113.70 1rkp s ARG 607 Ca 0.29 -0.77 0.33 0.00 -0.52 0.00 0.00 55.73 55.06 1rkp s ARG 607 Cb -0.10 -3.70 1.54 0.00 0.52 0.00 0.00 34.95 33.21 1rkp s ARG 607 CO 0.21 -0.49 1.99 -0.22 0.02 0.00 0.00 175.30 176.81 1rkp h LYS 608 N 8.43 0.00 0.00 3.54 3.64 -1.94 -1.92 116.57 128.31 1rkp h LYS 608 Ca -0.30 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.08 1rkp h LYS 608 Cb 1.14 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.96 1rkp h LYS 608 CO 0.64 0.00 0.00 -2.95 -2.27 0.00 0.00 179.45 174.87 1rkp h ASN 609 N 0.00 0.00 -3.25 4.20 -1.07 -1.96 -3.42 115.58 110.08 1rkp h ASN 609 Ca 0.00 0.00 -0.59 0.00 0.07 0.00 0.00 56.30 55.78 1rkp h ASN 609 Cb 0.30 0.00 -0.08 0.00 -2.07 0.00 0.00 38.32 36.47 1rkp h ASN 609 CO 0.00 0.00 0.61 -0.69 0.07 0.00 0.00 177.43 177.42 1rkp s VAL 610 N -3.39 4.74 0.21 6.14 1.01 -0.72 -4.97 120.40 123.42 1rkp s VAL 610 Ca 0.04 1.67 -0.14 0.00 0.00 0.00 0.00 61.98 63.55 1rkp s VAL 610 Cb 0.09 -4.22 0.23 0.00 0.00 0.00 0.00 36.38 32.48 1rkp s VAL 610 CO 0.51 -0.18 1.62 0.00 0.00 0.00 0.00 175.10 177.05 1rkp h ALA 611 N 7.73 0.39 0.00 5.51 0.00 -1.87 -3.38 119.26 127.63 1rkp h ALA 611 Ca -0.22 0.24 -0.17 0.00 0.00 0.00 0.00 54.91 54.76 1rkp h ALA 611 Cb 1.08 0.50 -0.03 0.00 0.00 0.00 0.00 17.79 19.34 1rkp h ALA 611 CO 0.93 -0.44 -1.53 0.98 0.00 0.00 0.00 179.25 179.19 1rkp n TYR 612 N -5.43 0.00 -2.31 0.00 9.36 -1.26 -4.84 117.16 112.69 1rkp n TYR 612 Ca 0.07 0.00 -0.35 0.00 3.32 0.00 0.00 57.90 60.94 1rkp n TYR 612 Cb 0.33 -0.39 -0.03 0.00 -0.63 0.00 0.00 39.34 38.62 1rkp n TYR 612 CO 0.00 0.00 0.00 -1.01 0.22 0.00 0.00 176.86 176.07 1rkp s HIS 613 N -2.22 2.32 0.18 2.98 3.76 -1.26 -4.35 115.29 116.70 1rkp s HIS 613 Ca -0.15 -0.47 0.03 0.00 -0.15 0.00 0.00 55.06 54.32 1rkp s HIS 613 Cb 0.06 -4.36 -0.01 0.00 1.11 0.00 0.00 32.58 29.38 1rkp s HIS 613 CO 0.20 -1.53 0.17 0.27 -0.85 0.00 0.00 174.74 173.00 1rkp n ASN 614 N 11.57 -0.43 -0.25 1.40 0.23 -1.26 -4.58 115.26 121.94 1rkp n ASN 614 Ca 0.46 -2.15 0.03 0.00 -0.53 0.00 0.00 54.58 52.38 1rkp n ASN 614 Cb 0.47 0.96 0.15 0.00 -2.08 0.00 0.00 39.78 39.28 1rkp n ASN 614 CO 0.00 0.00 0.00 -0.25 -0.93 0.00 0.00 177.26 176.08 1rkp h TRP 615 N 1.57 0.60 -0.60 -2.53 2.91 -1.87 -1.85 115.95 114.18 1rkp h TRP 615 Ca -0.13 0.03 0.02 0.00 1.13 0.00 0.00 58.89 59.94 1rkp h TRP 615 Cb 0.64 -0.16 -0.03 0.00 -0.51 0.00 0.00 29.16 29.10 1rkp h TRP 615 CO 0.00 0.17 0.40 0.00 -1.03 0.00 0.00 178.44 177.98 1rkp h ARG 616 N 0.55 0.74 -0.24 2.65 2.47 -1.97 0.35 114.38 118.93 1rkp h ARG 616 Ca 0.37 -0.04 -0.03 0.00 -1.26 0.00 0.00 59.98 59.01 1rkp h ARG 616 Cb 0.46 -0.17 -0.01 0.00 -1.65 0.00 0.00 29.97 28.60 1rkp h ARG 616 CO -0.31 0.49 0.01 1.25 0.56 0.00 0.00 179.97 181.97 1rkp h HIS 617 N 0.76 0.45 -0.42 3.04 -0.00 -1.54 0.41 115.15 117.85 1rkp h HIS 617 Ca 0.23 -0.07 -0.01 0.00 -0.00 0.00 0.00 60.37 60.52 1rkp h HIS 617 Cb -0.00 -0.12 -0.02 0.00 -0.00 0.00 0.00 27.41 27.27 1rkp h HIS 617 CO -0.00 0.57 0.21 0.00 -0.00 0.00 0.00 177.93 178.71 1rkp h ALA 618 N 0.82 0.54 -0.34 5.26 0.00 -0.91 0.85 119.26 125.48 1rkp h ALA 618 Ca 0.07 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.88 1rkp h ALA 618 Cb 0.38 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1rkp h ALA 618 CO 0.01 0.09 0.22 0.35 0.00 0.00 0.00 179.25 179.92 1rkp h PHE 619 N 0.54 0.41 -0.68 0.00 3.57 -0.27 -1.45 116.94 119.06 1rkp h PHE 619 Ca 0.14 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.63 1rkp h PHE 619 Cb 0.11 -0.14 -0.03 0.00 2.79 0.00 0.00 35.95 38.68 1rkp h PHE 619 CO -0.01 0.26 0.31 -0.91 -2.23 0.00 0.00 178.31 175.72 1rkp h ASN 620 N 0.45 0.89 -0.75 0.41 2.35 -0.54 -0.21 115.58 118.17 1rkp h ASN 620 Ca 0.13 -0.10 -0.03 0.00 -0.55 0.00 0.00 56.30 55.75 1rkp h ASN 620 Cb -0.04 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.07 1rkp h ASN 620 CO -0.04 0.76 0.35 0.74 -1.65 0.00 0.00 177.43 177.59 1rkp h THR 621 N 0.97 1.24 -0.41 2.81 2.02 -0.32 -0.81 112.91 118.41 1rkp h THR 621 Ca 0.23 -0.69 -0.14 0.00 0.77 0.00 0.00 66.41 66.58 1rkp h THR 621 Cb 0.12 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 66.84 1rkp h THR 621 CO -0.03 0.29 -0.29 0.00 0.37 0.00 0.00 175.52 175.87 1rkp h ALA 622 N 1.18 0.59 -0.55 6.16 0.00 -0.82 -1.77 119.26 124.04 1rkp h ALA 622 Ca 0.26 -0.41 0.01 0.00 0.00 0.00 0.00 54.91 54.76 1rkp h ALA 622 Cb 0.13 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1rkp h ALA 622 CO -0.03 0.62 0.37 0.37 0.00 0.00 0.00 179.25 180.58 1rkp h GLN 623 N 0.75 0.73 -0.66 0.00 -0.00 -0.70 0.78 115.11 116.00 1rkp h GLN 623 Ca 0.08 -0.04 -0.02 0.00 -0.00 0.00 0.00 58.65 58.66 1rkp h GLN 623 Cb 0.87 -0.16 -0.03 0.00 0.00 0.00 0.00 27.48 28.15 1rkp h GLN 623 CO 0.08 0.48 0.31 0.00 0.00 0.00 0.00 178.83 179.70 1rkp h MET 625 N 0.93 0.66 -0.26 0.00 1.85 -0.36 0.20 114.93 117.96 1rkp h MET 625 Ca 0.23 -0.11 0.00 0.00 -0.61 0.00 0.00 59.70 59.21 1rkp h MET 625 Cb 0.10 -0.11 -0.01 0.00 0.43 0.00 0.00 31.60 32.00 1rkp h MET 625 CO -0.03 0.58 0.17 0.35 -0.40 0.00 0.00 176.91 177.58 1rkp h PHE 626 N 0.59 0.33 -0.81 1.39 3.57 0.04 -0.33 116.94 121.72 1rkp h PHE 626 Ca 0.15 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.62 1rkp h PHE 626 Cb 0.15 -0.11 -0.04 0.00 2.79 0.00 0.00 35.95 38.74 1rkp h PHE 626 CO -0.00 0.21 0.36 0.00 -2.23 0.00 0.00 178.31 176.64 1rkp h ALA 627 N 1.09 1.04 -0.25 2.41 0.00 -0.40 0.11 119.26 123.27 1rkp h ALA 627 Ca 0.09 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 1rkp h ALA 627 Cb -0.03 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.42 1rkp h ALA 627 CO -0.02 0.63 -0.19 0.00 0.00 0.00 0.00 179.25 179.67 1rkp h ALA 628 N 1.19 1.22 -0.11 0.00 0.00 -0.23 0.20 119.26 121.54 1rkp h ALA 628 Ca 0.27 -0.30 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 1rkp h ALA 628 Cb 0.16 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1rkp h ALA 628 CO -0.03 0.51 -0.33 -0.07 0.00 0.00 0.00 179.25 179.32 1rkp h LEU 629 N 0.40 0.48 0.00 0.00 3.38 -0.47 -2.29 115.31 116.81 1rkp h LEU 629 Ca 0.07 -0.61 0.00 0.00 0.09 0.00 0.00 57.88 57.43 1rkp h LEU 629 Cb 0.56 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1rkp h LEU 629 CO 0.04 1.00 0.00 0.29 0.09 0.00 0.00 178.44 179.86 1rkp n LYS 630 N -4.39 0.00 -0.32 1.13 4.76 0.34 -1.63 118.16 118.06 1rkp n LYS 630 Ca -0.08 0.00 0.13 0.00 -2.87 0.00 0.00 58.31 55.50 1rkp n LYS 630 Cb 0.50 -0.14 0.31 0.00 -1.84 0.00 0.00 35.03 33.86 1rkp n LYS 630 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1rkp h ALA 631 N -2.00 1.51 0.00 7.82 0.00 -1.33 0.50 119.26 125.77 1rkp h ALA 631 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1rkp h ALA 631 Cb 0.00 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1rkp h ALA 631 CO 0.00 -0.25 0.00 0.41 0.00 0.00 0.00 179.25 179.41 1rkp n GLY 632 N -1.33 -1.01 2.41 0.00 0.00 0.55 -4.80 105.19 101.01 1rkp n GLY 632 Ca 0.22 -0.16 -0.13 0.00 0.00 0.00 0.00 46.02 45.95 1rkp n GLY 632 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1rkp n LYS 633 N -1.12 -2.10 0.15 1.61 5.02 0.18 -4.46 118.16 117.43 1rkp n LYS 633 Ca 0.18 0.66 0.05 0.00 -2.02 0.00 0.00 58.31 57.17 1rkp n LYS 633 Cb 0.15 -5.24 0.05 0.00 -0.02 0.00 0.00 35.03 29.96 1rkp n LYS 633 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1rkp h ILE 634 N 0.00 0.63 -0.88 -0.18 2.04 -1.06 -3.35 117.51 114.72 1rkp h ILE 634 Ca -0.32 -1.91 0.23 0.00 1.00 0.00 0.00 64.86 63.86 1rkp h ILE 634 Cb 1.21 2.28 -0.13 0.00 -0.74 0.00 0.00 36.82 39.43 1rkp h ILE 634 CO 0.38 0.36 0.30 -0.61 0.00 0.00 0.00 178.15 178.58 1rkp h GLN 635 N 0.00 0.28 0.00 2.37 4.15 -1.53 0.31 115.11 120.69 1rkp h GLN 635 Ca -0.02 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.39 1rkp h GLN 635 Cb 1.31 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.94 1rkp h GLN 635 CO 0.05 0.18 0.00 -0.91 -1.93 0.00 0.00 178.83 176.22 1rkp h ASN 636 N 0.28 0.00 -0.12 -0.69 2.35 -1.83 -2.79 115.58 112.79 1rkp h ASN 636 Ca 0.55 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.30 1rkp h ASN 636 Cb 1.08 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.45 1rkp h ASN 636 CO -0.59 0.00 0.00 0.29 -1.65 0.00 0.00 177.43 175.48 1rkp n LYS 637 N -2.79 1.84 -4.37 0.81 5.02 0.10 -4.93 118.16 113.84 1rkp n LYS 637 Ca 0.00 -1.24 -0.18 0.00 -2.02 0.00 0.00 58.31 54.87 1rkp n LYS 637 Cb 0.22 -1.45 -0.10 0.00 -0.02 0.00 0.00 35.03 33.68 1rkp n LYS 637 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1rkp s LEU 638 N -1.77 2.24 0.57 -0.35 1.43 -1.05 -5.07 118.68 114.67 1rkp s LEU 638 Ca 0.35 -1.24 -0.01 0.00 -1.03 0.00 0.00 54.13 52.20 1rkp s LEU 638 Cb 0.20 -0.35 0.03 0.00 0.03 0.00 0.00 46.19 46.09 1rkp s LEU 638 CO 0.30 -0.50 0.81 0.42 0.23 0.00 0.00 176.35 177.62 1rkp s THR 639 N -3.33 2.88 0.25 5.49 -4.23 -1.26 -4.93 115.64 110.50 1rkp s THR 639 Ca 0.30 -0.51 -0.05 0.00 -1.18 0.00 0.00 61.69 60.25 1rkp s THR 639 Cb 0.06 -3.11 0.18 0.00 1.34 0.00 0.00 72.50 70.97 1rkp s THR 639 CO 0.10 -0.09 1.83 0.44 -0.54 0.00 0.00 174.62 176.37 1rkp h ASP 640 N -0.02 0.98 -0.21 3.99 3.32 -1.99 -1.54 116.42 120.95 1rkp h ASP 640 Ca -0.43 -0.13 -0.09 0.00 0.02 0.00 0.00 57.03 56.39 1rkp h ASP 640 Cb 1.29 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 40.57 1rkp h ASP 640 CO 0.55 0.86 -0.16 -0.07 -1.72 0.00 0.00 179.24 178.70 1rkp h LEU 641 N 1.06 0.62 -0.39 1.55 3.38 -1.99 -0.29 115.31 119.24 1rkp h LEU 641 Ca 0.25 -0.19 -0.14 0.00 0.09 0.00 0.00 57.88 57.89 1rkp h LEU 641 Cb 0.17 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1rkp h LEU 641 CO -0.02 0.80 -0.29 -0.33 0.09 0.00 0.00 178.44 178.68 1rkp h GLU 642 N 0.56 0.89 -0.59 1.13 5.08 -1.86 -1.18 114.58 118.62 1rkp h GLU 642 Ca 0.09 -0.43 -0.09 0.00 -1.00 0.00 0.00 59.36 57.93 1rkp h GLU 642 Cb 0.60 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 1rkp h GLU 642 CO 0.04 1.08 0.01 0.82 -1.00 0.00 0.00 179.01 179.96 1rkp h ILE 643 N 0.71 1.26 -0.27 3.13 2.04 -1.08 -0.33 117.51 122.97 1rkp h ILE 643 Ca 0.08 -1.13 -0.01 0.00 1.00 0.00 0.00 64.86 64.80 1rkp h ILE 643 Cb 0.87 0.83 -0.01 0.00 -0.74 0.00 0.00 36.82 37.77 1rkp h ILE 643 CO 0.08 0.41 0.13 0.25 0.00 0.00 0.00 178.15 179.01 1rkp h LEU 644 N 0.92 0.36 -0.49 1.44 5.85 -0.96 -2.05 115.31 120.38 1rkp h LEU 644 Ca 0.17 -0.13 -0.04 0.00 0.84 0.00 0.00 57.88 58.72 1rkp h LEU 644 Cb 0.54 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.46 1rkp h LEU 644 CO 0.03 0.39 0.16 0.00 -0.34 0.00 0.00 178.44 178.68 1rkp h ALA 645 N 0.98 0.64 -0.31 1.25 0.00 -1.04 -2.58 119.26 118.21 1rkp h ALA 645 Ca 0.09 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1rkp h ALA 645 Cb 0.13 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1rkp h ALA 645 CO -0.01 0.29 0.18 -0.07 0.00 0.00 0.00 179.25 179.65 1rkp h LEU 646 N 0.66 0.37 -0.31 0.00 3.38 -0.96 0.13 115.31 118.58 1rkp h LEU 646 Ca 0.16 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 1rkp h LEU 646 Cb 0.27 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1rkp h LEU 646 CO -0.01 0.32 0.18 0.25 0.09 0.00 0.00 178.44 179.27 1rkp h LEU 647 N 0.39 0.38 -0.43 1.67 5.85 -1.33 0.26 115.31 122.11 1rkp h LEU 647 Ca 0.11 -0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 1rkp h LEU 647 Cb 0.01 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 1rkp h LEU 647 CO -0.02 0.34 0.17 0.40 -0.34 0.00 0.00 178.44 178.99 1rkp h ILE 648 N 0.39 1.20 -0.04 4.05 2.04 -1.34 -2.18 117.51 121.64 1rkp h ILE 648 Ca 0.11 -0.60 0.00 0.00 1.00 0.00 0.00 64.86 65.37 1rkp h ILE 648 Cb 0.03 0.80 -0.00 0.00 -0.74 0.00 0.00 36.82 36.91 1rkp h ILE 648 CO -0.02 0.22 0.02 0.00 0.00 0.00 0.00 178.15 178.38 1rkp h ALA 649 N 1.02 0.05 -0.37 1.87 0.00 -0.41 0.82 119.26 122.24 1rkp h ALA 649 Ca 0.14 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.11 1rkp h ALA 649 Cb 0.18 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 17.89 1rkp h ALA 649 CO -0.01 -0.44 -0.09 0.00 0.00 0.00 0.00 179.25 178.71 1rkp h ALA 650 N 0.99 0.25 -0.01 0.00 0.00 -0.38 0.86 119.26 120.98 1rkp h ALA 650 Ca 0.01 0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 1rkp h ALA 650 Cb 0.02 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1rkp h ALA 650 CO -0.00 -0.45 -0.33 -0.07 0.00 0.00 0.00 179.25 178.39 1rkp h LEU 651 N 0.01 0.01 0.00 0.00 3.38 -1.15 -3.26 115.31 114.30 1rkp h LEU 651 Ca 0.18 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1rkp h LEU 651 Cb 0.27 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1rkp h LEU 651 CO -0.38 0.34 -0.92 -1.20 0.09 0.00 0.00 178.44 176.37 1rkp n SER 652 N -4.14 0.92 0.32 -0.43 7.64 0.26 -4.70 113.62 113.48 1rkp n SER 652 Ca -0.02 -0.95 0.17 0.00 1.01 0.00 0.00 58.87 59.08 1rkp n SER 652 Cb 0.38 1.01 0.88 0.00 -1.01 0.00 0.00 64.21 65.47 1rkp n SER 652 CO 0.00 0.00 0.00 1.12 -3.01 0.00 0.00 175.04 173.15 1rkp h HIS 653 N 0.00 0.00 0.00 1.43 2.07 0.66 -2.44 115.15 116.87 1rkp h HIS 653 Ca 0.00 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1rkp h HIS 653 Cb 0.46 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.44 1rkp h HIS 653 CO 0.00 0.00 -0.09 -0.25 -3.07 0.00 0.00 177.93 174.52 1rkp n ASP 654 N -3.02 2.02 -4.57 3.10 8.00 -1.26 -4.83 116.55 115.99 1rkp n ASP 654 Ca -0.01 -2.98 -0.50 0.00 0.71 0.00 0.00 54.79 52.01 1rkp n ASP 654 Cb 0.34 -0.40 -0.04 0.00 -0.02 0.00 0.00 41.12 40.99 1rkp n ASP 654 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1rkp n LEU 655 N -1.23 1.44 -0.85 0.64 4.77 -0.92 -1.76 117.00 119.09 1rkp n LEU 655 Ca 0.14 1.14 -0.11 0.00 -0.03 0.00 0.00 56.01 57.15 1rkp n LEU 655 Cb 0.65 -1.20 -0.05 0.00 -2.33 0.00 0.00 43.42 40.50 1rkp n LEU 655 CO 0.01 -1.32 -0.11 -0.67 -1.33 0.00 0.00 177.39 173.97 1rkp n ASP 656 N 2.06 -5.07 -4.74 -1.43 2.03 0.30 -4.48 116.55 105.22 1rkp n ASP 656 Ca 0.16 0.27 -0.42 0.00 0.52 0.00 0.00 54.79 55.32 1rkp n ASP 656 Cb 0.23 -3.55 -0.01 0.00 -0.72 0.00 0.00 41.12 37.07 1rkp n ASP 656 CO 0.00 0.00 0.00 1.57 -1.92 0.00 0.00 177.20 176.85 1rkp n HIS 657 N -2.43 2.80 0.17 -0.67 -0.00 -0.73 -4.91 115.22 109.44 1rkp n HIS 657 Ca -0.11 0.33 0.07 0.00 0.46 0.00 0.00 57.72 58.47 1rkp n HIS 657 Cb 0.49 -2.56 0.13 0.00 -0.12 0.00 0.00 29.99 27.92 1rkp n HIS 657 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 1rkp n ARG 658 N 1.67 1.92 0.00 1.57 1.74 -1.26 -4.42 116.66 117.89 1rkp n ARG 658 Ca 0.07 -1.78 0.00 0.00 -0.77 0.00 0.00 57.85 55.37 1rkp n ARG 658 Cb 0.37 -1.30 0.00 0.00 -1.02 0.00 0.00 32.46 30.50 1rkp n ARG 658 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1rkp n GLY 659 N 0.78 2.83 0.43 -0.13 0.00 -1.26 -4.53 105.19 103.31 1rkp n GLY 659 Ca 0.11 -1.54 0.24 0.00 0.00 0.00 0.00 46.02 44.84 1rkp n GLY 659 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1rkp h VAL 660 N 0.00 0.61 -0.44 1.61 -1.51 -1.97 0.21 116.25 114.76 1rkp h VAL 660 Ca 0.00 -0.06 0.00 0.00 -1.23 0.00 0.00 66.70 65.41 1rkp h VAL 660 Cb 0.00 0.42 0.00 0.00 -2.13 0.00 0.00 31.29 29.58 1rkp h VAL 660 CO 0.00 0.03 0.00 0.59 -1.23 0.00 0.00 177.57 176.96 1rkp n ASN 661 N -4.39 2.66 -4.69 4.19 3.02 -1.26 -4.85 115.26 109.94 1rkp n ASN 661 Ca 0.19 -2.08 -0.35 0.00 -0.03 0.00 0.00 54.58 52.30 1rkp n ASN 661 Cb 0.83 -0.35 -0.09 0.00 -0.61 0.00 0.00 39.78 39.57 1rkp n ASN 661 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1rkp s ASN 662 N -0.93 6.01 0.00 6.41 3.84 0.06 -4.72 114.94 125.61 1rkp s ASN 662 Ca 0.31 0.18 0.20 0.00 0.21 0.00 0.00 52.86 53.75 1rkp s ASN 662 Cb 0.17 -2.05 0.09 0.00 -0.55 0.00 0.00 41.25 38.91 1rkp s ASN 662 CO 0.19 0.18 1.06 -1.20 -2.79 0.00 0.00 177.10 174.54 1rkp n SER 663 N 3.54 2.30 -0.01 -4.21 7.64 -1.26 -4.75 113.62 116.87 1rkp n SER 663 Ca -0.16 -1.65 -0.03 0.00 1.01 0.00 0.00 58.87 58.04 1rkp n SER 663 Cb 0.52 0.21 -0.02 0.00 -1.01 0.00 0.00 64.21 63.91 1rkp n SER 663 CO 0.00 0.00 0.00 0.22 -3.01 0.00 0.00 175.04 172.25 1rkp h TYR 664 N 3.13 -0.32 -0.95 1.43 5.03 -1.96 0.06 116.97 123.39 1rkp h TYR 664 Ca 0.00 0.01 0.28 0.00 2.58 0.00 0.00 58.73 61.60 1rkp h TYR 664 Cb 0.75 0.15 -0.14 0.00 1.55 0.00 0.00 36.73 39.04 1rkp h TYR 664 CO 0.00 -0.10 0.44 0.82 -1.32 0.00 0.00 178.16 178.00 1rkp h ILE 665 N -0.10 0.34 -0.10 1.81 2.04 -1.98 0.81 117.51 120.33 1rkp h ILE 665 Ca 0.01 -0.11 -0.23 0.00 1.00 0.00 0.00 64.86 65.53 1rkp h ILE 665 Cb 0.13 -0.00 0.01 0.00 -0.74 0.00 0.00 36.82 36.22 1rkp h ILE 665 CO -0.10 0.06 -0.84 1.56 0.00 0.00 0.00 178.15 178.83 1rkp h GLN 666 N 0.31 0.75 0.00 2.37 4.20 -1.81 -3.22 115.11 117.71 1rkp h GLN 666 Ca 0.65 -0.67 0.00 0.00 0.06 0.00 0.00 58.65 58.69 1rkp h GLN 666 Cb 1.40 0.16 0.00 0.00 0.30 0.00 0.00 27.48 29.33 1rkp h GLN 666 CO -0.61 1.27 0.00 0.54 -0.67 0.00 0.00 178.83 179.36 1rkp n ARG 667 N -3.94 0.06 0.00 1.46 1.74 -0.02 -2.98 116.66 112.99 1rkp n ARG 667 Ca -0.09 0.01 0.13 0.00 -0.77 0.00 0.00 57.85 57.13 1rkp n ARG 667 Cb 0.78 -1.50 0.47 0.00 -1.02 0.00 0.00 32.46 31.19 1rkp n ARG 667 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1rkp n SER 668 N -1.47 0.57 -5.01 0.55 3.41 0.15 -4.77 113.62 107.05 1rkp n SER 668 Ca 0.08 -0.46 -0.20 0.00 -0.26 0.00 0.00 58.87 58.03 1rkp n SER 668 Cb 0.32 0.01 0.05 0.00 -0.26 0.00 0.00 64.21 64.32 1rkp n SER 668 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1rkp s GLU 669 N -2.66 2.37 -0.43 4.33 2.12 -1.16 -4.97 118.70 118.30 1rkp s GLU 669 Ca 0.22 -1.64 -0.19 0.00 0.36 0.00 0.00 54.97 53.73 1rkp s GLU 669 Cb 0.19 -2.59 -0.19 0.00 0.26 0.00 0.00 34.13 31.79 1rkp s GLU 669 CO 0.54 -0.75 1.53 1.58 -0.54 0.00 0.00 175.26 177.62 1rkp n HIS 670 N -2.13 0.36 0.00 5.30 -0.00 -1.26 -4.77 115.22 112.72 1rkp n HIS 670 Ca 0.13 -0.19 0.00 0.00 -0.00 0.00 0.00 57.72 57.65 1rkp n HIS 670 Cb 0.62 -1.39 0.00 0.00 -0.00 0.00 0.00 29.99 29.21 1rkp n HIS 670 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.34 174.04 1rkp n PRO 671 N 6.71 0.00 0.00 1.57 -0.02 -1.26 0.20 135.00 142.20 1rkp n PRO 671 Ca 0.28 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.76 1rkp n PRO 671 Cb 0.43 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.91 1rkp n PRO 671 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1rkp n LEU 672 N 0.00 1.57 0.13 2.45 4.77 -1.26 -3.82 117.00 120.84 1rkp n LEU 672 Ca 0.00 -0.79 0.11 0.00 -0.03 0.00 0.00 56.01 55.30 1rkp n LEU 672 Cb 0.00 -0.29 0.50 0.00 -2.33 0.00 0.00 43.42 41.30 1rkp n LEU 672 CO 0.00 0.27 0.83 0.00 -1.33 0.00 0.00 177.39 177.16 1rkp n ALA 673 N 0.65 1.45 -0.23 -1.18 0.00 0.53 -3.21 120.51 118.53 1rkp n ALA 673 Ca 0.00 0.11 -0.07 0.00 0.00 0.00 0.00 53.44 53.48 1rkp n ALA 673 Cb 0.27 -1.35 0.06 0.00 0.00 0.00 0.00 19.45 18.43 1rkp n ALA 673 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1rkp h GLN 674 N 0.00 1.09 0.00 0.00 4.20 -1.83 -3.28 115.11 115.28 1rkp h GLN 674 Ca 0.00 -0.28 -0.08 0.00 0.06 0.00 0.00 58.65 58.35 1rkp h GLN 674 Cb 0.24 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.87 1rkp h GLN 674 CO 0.00 0.99 -1.09 -0.07 -0.67 0.00 0.00 178.83 177.99 1rkp h LEU 675 N 1.02 0.00 0.00 1.46 3.38 -1.91 -3.37 115.31 115.89 1rkp h LEU 675 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1rkp h LEU 675 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1rkp h LEU 675 CO 0.01 0.27 0.00 -1.22 0.09 0.00 0.00 178.44 177.59 1rkp n TYR 676 N -2.82 0.00 -2.60 1.13 4.01 -1.24 -4.38 117.16 111.26 1rkp n TYR 676 Ca -0.04 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.29 1rkp n TYR 676 Cb 0.68 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.68 1rkp n TYR 676 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1rkp s HIS 678 N 4.72 2.71 -1.23 0.00 2.46 -1.26 -3.63 115.29 119.06 1rkp s HIS 678 Ca 0.45 1.16 -0.04 0.00 0.47 0.00 0.00 55.06 57.10 1rkp s HIS 678 Cb -0.00 -3.14 0.00 0.00 -0.13 0.00 0.00 32.58 29.31 1rkp s HIS 678 CO -0.10 -1.92 1.05 0.43 -2.47 0.00 0.00 174.74 171.73 1rkp n SER 679 N -3.54 -3.91 -0.21 9.88 7.64 -1.26 -4.82 113.62 117.40 1rkp n SER 679 Ca 0.07 -0.57 0.01 0.00 1.01 0.00 0.00 58.87 59.40 1rkp n SER 679 Cb 0.56 -4.94 0.12 0.00 -1.01 0.00 0.00 64.21 58.94 1rkp n SER 679 CO 0.00 0.00 0.00 -0.29 -3.01 0.00 0.00 175.04 171.74 1rkp h ILE 680 N -2.19 0.68 -0.05 0.44 2.10 -1.88 -1.76 117.51 114.85 1rkp h ILE 680 Ca -0.56 -0.11 -0.00 0.00 1.08 0.00 0.00 64.86 65.26 1rkp h ILE 680 Cb 1.34 0.32 -0.00 0.00 -1.09 0.00 0.00 36.82 37.39 1rkp h ILE 680 CO 0.51 0.06 0.03 0.24 -1.08 0.00 0.00 178.15 177.91 1rkp h MET 681 N 0.33 0.08 -0.66 2.19 2.86 -1.92 -2.31 114.93 115.50 1rkp h MET 681 Ca 0.33 -0.01 0.02 0.00 -2.06 0.00 0.00 59.70 57.98 1rkp h MET 681 Cb 0.47 -0.01 -0.04 0.00 0.06 0.00 0.00 31.60 32.08 1rkp h MET 681 CO -0.38 0.14 0.43 0.93 1.06 0.00 0.00 176.91 179.10 1rkp h GLU 682 N -0.01 0.80 -0.50 1.72 3.07 -1.81 0.11 114.58 117.97 1rkp h GLU 682 Ca 0.02 -0.05 -0.09 0.00 -0.50 0.00 0.00 59.36 58.74 1rkp h GLU 682 Cb 0.09 -0.18 -0.02 0.00 -0.84 0.00 0.00 28.75 27.80 1rkp h GLU 682 CO -0.00 0.53 -0.05 0.45 -1.40 0.00 0.00 179.01 178.54 1rkp h HIS 683 N 0.82 0.95 -0.18 4.33 3.86 -1.14 -0.67 115.15 123.13 1rkp h HIS 683 Ca 0.25 -0.16 -0.02 0.00 -1.16 0.00 0.00 60.37 59.29 1rkp h HIS 683 Cb 0.00 -0.25 -0.01 0.00 1.06 0.00 0.00 27.41 28.22 1rkp h HIS 683 CO -0.00 0.89 0.05 1.25 0.86 0.00 0.00 177.93 180.98 1rkp h HIS 684 N 0.80 0.30 -0.77 2.45 -0.00 -0.62 -0.16 115.15 117.15 1rkp h HIS 684 Ca 0.14 -0.03 0.05 0.00 -0.00 0.00 0.00 60.37 60.54 1rkp h HIS 684 Cb 0.54 -0.09 -0.06 0.00 -0.00 0.00 0.00 27.41 27.81 1rkp h HIS 684 CO 0.03 0.39 0.47 0.45 -0.00 0.00 0.00 177.93 179.27 1rkp h HIS 685 N 0.12 0.86 -0.39 5.26 3.86 -0.49 -0.50 115.15 123.87 1rkp h HIS 685 Ca 0.06 0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.27 1rkp h HIS 685 Cb 0.24 -0.28 -0.02 0.00 1.06 0.00 0.00 27.41 28.42 1rkp h HIS 685 CO 0.00 0.44 0.13 0.35 0.86 0.00 0.00 177.93 179.72 1rkp h PHE 686 N 0.87 0.62 -0.93 2.45 3.57 -0.83 -0.29 116.94 122.39 1rkp h PHE 686 Ca 0.33 -0.06 0.07 0.00 3.53 0.00 0.00 57.97 61.85 1rkp h PHE 686 Cb 0.15 -0.18 -0.07 0.00 2.79 0.00 0.00 35.95 38.64 1rkp h PHE 686 CO -0.05 0.57 0.58 -0.44 -2.23 0.00 0.00 178.31 176.75 1rkp h ASP 687 N 0.49 0.92 -0.32 0.41 3.32 -0.28 0.22 116.42 121.18 1rkp h ASP 687 Ca 0.13 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.18 1rkp h ASP 687 Cb 0.23 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 1rkp h ASP 687 CO -0.01 0.58 0.13 1.56 -1.72 0.00 0.00 179.24 179.78 1rkp h GLN 688 N 1.05 0.47 -0.20 3.56 1.08 -0.73 -0.81 115.11 119.52 1rkp h GLN 688 Ca 0.41 -0.08 0.04 0.00 -1.45 0.00 0.00 58.65 57.57 1rkp h GLN 688 Cb 0.21 -0.08 -0.03 0.00 -0.05 0.00 0.00 27.48 27.52 1rkp h GLN 688 CO -0.18 0.46 -0.03 0.00 -0.95 0.00 0.00 178.83 178.13 1rkp h LEU 690 N 0.03 0.85 -0.84 0.00 5.85 -0.41 -1.29 115.31 119.51 1rkp h LEU 690 Ca 0.09 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 1rkp h LEU 690 Cb 0.13 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 40.91 1rkp h LEU 690 CO -0.18 0.69 0.49 0.24 -0.34 0.00 0.00 178.44 179.34 1rkp h MET 691 N 0.94 1.16 -0.50 1.25 2.86 -0.85 -1.65 114.93 118.13 1rkp h MET 691 Ca 0.24 -0.12 -0.08 0.00 -2.06 0.00 0.00 59.70 57.68 1rkp h MET 691 Cb 0.02 -0.24 -0.02 0.00 0.06 0.00 0.00 31.60 31.43 1rkp h MET 691 CO -0.04 0.83 -0.02 0.82 1.06 0.00 0.00 176.91 179.56 1rkp h ILE 692 N 1.16 1.26 0.00 -1.22 2.04 -1.06 -1.61 117.51 118.08 1rkp h ILE 692 Ca 0.30 -1.11 -0.01 0.00 1.00 0.00 0.00 64.86 65.04 1rkp h ILE 692 Cb -0.02 0.97 -0.00 0.00 -0.74 0.00 0.00 36.82 37.04 1rkp h ILE 692 CO -0.05 0.39 -0.04 -0.07 0.00 0.00 0.00 178.15 178.38 1rkp h LEU 693 N 0.76 0.00 -1.29 1.44 3.38 -0.70 -2.38 115.31 116.53 1rkp h LEU 693 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1rkp h LEU 693 Cb 0.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1rkp h LEU 693 CO 0.03 0.04 -0.21 0.59 0.09 0.00 0.00 178.44 178.98 1rkp n ASN 694 N -3.48 2.12 -4.77 -0.43 3.02 -0.67 -4.10 115.26 106.95 1rkp n ASN 694 Ca -0.02 -1.56 -0.39 0.00 -0.03 0.00 0.00 54.58 52.58 1rkp n ASN 694 Cb 0.15 0.26 -0.01 0.00 -0.61 0.00 0.00 39.78 39.56 1rkp n ASN 694 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1rkp s SER 695 N -1.84 6.41 0.33 6.41 0.01 -0.64 -4.92 113.70 119.46 1rkp s SER 695 Ca 0.18 2.54 -0.29 0.00 1.31 0.00 0.00 55.95 59.69 1rkp s SER 695 Cb 0.15 -2.63 -0.12 0.00 0.21 0.00 0.00 66.02 63.63 1rkp s SER 695 CO 0.35 -0.77 1.50 -0.81 0.41 0.00 0.00 173.24 173.93 1rkp n PRO 696 N 0.14 2.59 -0.88 12.44 -0.04 -1.26 -1.71 135.00 146.28 1rkp n PRO 696 Ca 0.04 0.91 0.00 0.00 -0.04 0.00 0.00 63.50 64.41 1rkp n PRO 696 Cb 0.45 -2.64 0.00 0.00 -0.04 0.00 0.00 33.50 31.26 1rkp n PRO 696 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1rkp n GLY 697 N 1.28 0.84 0.16 0.55 0.00 -1.26 -4.81 105.19 101.95 1rkp n GLY 697 Ca 0.05 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.09 1rkp n GLY 697 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1rkp n ASN 698 N 0.00 1.77 -4.17 1.61 3.02 -0.69 -4.44 115.26 112.35 1rkp n ASN 698 Ca 0.00 -1.57 -0.40 0.00 -0.03 0.00 0.00 54.58 52.59 1rkp n ASN 698 Cb 0.00 -0.03 -0.02 0.00 -0.61 0.00 0.00 39.78 39.11 1rkp n ASN 698 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1rkp n GLN 699 N -0.01 2.42 0.00 3.52 6.02 -1.24 -4.68 117.38 123.41 1rkp n GLN 699 Ca 0.03 -2.64 0.05 0.00 -0.01 0.00 0.00 57.00 54.43 1rkp n GLN 699 Cb 0.19 -3.38 0.25 0.00 1.02 0.00 0.00 30.24 28.32 1rkp n GLN 699 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.06 176.49 1rkp n ILE 700 N 6.30 1.12 -0.21 5.09 -5.35 -1.26 -1.88 119.36 123.16 1rkp n ILE 700 Ca 0.49 0.28 0.09 0.00 -0.27 0.00 0.00 62.75 63.34 1rkp n ILE 700 Cb 0.43 -1.09 0.24 0.00 -1.74 0.00 0.00 39.64 37.49 1rkp n ILE 700 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 1rkp n LEU 701 N -1.45 3.47 0.31 7.28 4.77 -1.26 -4.51 117.00 125.61 1rkp n LEU 701 Ca 0.03 -1.92 0.19 0.00 -0.03 0.00 0.00 56.01 54.28 1rkp n LEU 701 Cb 0.12 -0.36 1.03 0.00 -2.33 0.00 0.00 43.42 41.89 1rkp n LEU 701 CO 0.10 0.85 1.13 0.77 -1.33 0.00 0.00 177.39 178.91 1rkp h SER 702 N 3.41 0.00 1.57 -1.43 4.64 -1.73 -2.04 113.55 117.96 1rkp h SER 702 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1rkp h SER 702 Cb 0.88 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.97 1rkp h SER 702 CO 0.00 0.02 0.00 1.23 -0.87 0.00 0.00 176.83 177.21 1rkp h GLY 703 N 0.32 0.00 -1.68 -0.77 0.00 -1.79 -3.45 103.07 95.69 1rkp h GLY 703 Ca -0.00 0.00 -0.49 0.00 0.00 0.00 0.00 47.33 46.84 1rkp h GLY 703 CO 0.00 0.00 0.38 1.08 0.00 0.00 0.00 176.54 178.00 1rkp s LEU 704 N -6.15 3.48 0.72 3.11 1.02 -0.77 -4.95 118.68 115.13 1rkp s LEU 704 Ca 0.05 1.71 -0.11 0.00 0.02 0.00 0.00 54.13 55.79 1rkp s LEU 704 Cb 0.07 -4.52 0.02 0.00 0.02 0.00 0.00 46.19 41.78 1rkp s LEU 704 CO 0.61 -1.03 1.10 -0.94 0.02 0.00 0.00 176.35 176.12 1rkp s SER 705 N -3.02 5.36 0.34 2.29 1.04 -1.26 -4.78 113.70 113.66 1rkp s SER 705 Ca 0.61 1.12 0.06 0.00 0.48 0.00 0.00 55.95 58.22 1rkp s SER 705 Cb -0.14 -1.90 0.72 0.00 0.10 0.00 0.00 66.02 64.80 1rkp s SER 705 CO 0.38 -1.40 1.88 -0.29 0.98 0.00 0.00 173.24 174.80 1rkp h ILE 706 N -0.69 0.91 -0.26 -1.02 6.09 -1.97 0.12 117.51 120.68 1rkp h ILE 706 Ca -0.45 -0.28 -0.19 0.00 -1.37 0.00 0.00 64.86 62.57 1rkp h ILE 706 Cb 1.26 0.04 0.00 0.00 0.47 0.00 0.00 36.82 38.58 1rkp h ILE 706 CO 0.64 0.15 -0.58 -0.33 -3.07 0.00 0.00 178.15 174.96 1rkp h GLU 707 N 0.81 0.84 -0.72 2.19 4.39 -2.00 -1.61 114.58 118.48 1rkp h GLU 707 Ca 0.43 -0.55 -0.05 0.00 0.34 0.00 0.00 59.36 59.53 1rkp h GLU 707 Cb 0.53 0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 29.22 1rkp h GLU 707 CO -0.19 1.18 0.26 0.93 -1.16 0.00 0.00 179.01 180.03 1rkp h GLU 708 N 0.63 1.09 0.09 2.33 5.08 -1.68 -2.59 114.58 119.53 1rkp h GLU 708 Ca 0.01 -0.21 -0.00 0.00 -1.00 0.00 0.00 59.36 58.15 1rkp h GLU 708 Cb 1.18 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.27 1rkp h GLU 708 CO 0.13 0.91 -0.04 -0.92 -1.00 0.00 0.00 179.01 178.09 1rkp h TYR 709 N 1.04 -0.12 -0.72 4.33 3.20 -0.66 -0.52 116.97 123.51 1rkp h TYR 709 Ca 0.24 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.11 1rkp h TYR 709 Cb 0.25 0.04 -0.04 0.00 1.54 0.00 0.00 36.73 38.53 1rkp h TYR 709 CO 0.02 -0.00 0.48 0.87 -1.64 0.00 0.00 178.16 177.88 1rkp h LYS 710 N -0.20 0.95 -0.26 1.82 1.57 -1.23 0.89 116.57 120.12 1rkp h LYS 710 Ca -0.01 -0.06 -0.06 0.00 -1.87 0.00 0.00 60.65 58.64 1rkp h LYS 710 Cb 0.16 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 1rkp h LYS 710 CO 0.02 0.64 -0.09 1.15 -0.57 0.00 0.00 179.45 180.59 1rkp h THR 711 N 0.98 1.29 0.01 -0.16 2.02 -1.25 -2.02 112.91 113.78 1rkp h THR 711 Ca 0.26 -1.14 -0.00 0.00 0.77 0.00 0.00 66.41 66.30 1rkp h THR 711 Cb -0.11 1.50 0.00 0.00 -1.74 0.00 0.00 68.15 67.80 1rkp h THR 711 CO -0.06 0.36 -0.00 0.74 0.37 0.00 0.00 175.52 176.93 1rkp h THR 712 N 0.25 1.13 -0.87 3.16 2.02 -0.59 -1.66 112.91 116.36 1rkp h THR 712 Ca 0.06 -0.42 0.13 0.00 0.77 0.00 0.00 66.41 66.96 1rkp h THR 712 Cb 0.58 1.42 -0.09 0.00 -1.74 0.00 0.00 68.15 68.32 1rkp h THR 712 CO 0.03 0.11 0.48 -0.07 0.37 0.00 0.00 175.52 176.44 1rkp h LEU 713 N -0.19 0.62 -0.41 2.58 3.38 -0.85 0.13 115.31 120.58 1rkp h LEU 713 Ca -0.00 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1rkp h LEU 713 Cb 0.19 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 1rkp h LEU 713 CO 0.00 0.29 0.20 0.50 0.09 0.00 0.00 178.44 179.52 1rkp h LYS 714 N 0.71 0.59 -0.62 1.13 3.64 -1.08 0.36 116.57 121.31 1rkp h LYS 714 Ca 0.46 -0.09 -0.09 0.00 -1.27 0.00 0.00 60.65 59.66 1rkp h LYS 714 Cb 0.58 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.27 1rkp h LYS 714 CO -0.32 0.51 0.03 0.82 -2.27 0.00 0.00 179.45 178.22 1rkp h ILE 715 N 0.52 1.26 -0.53 2.00 2.04 -0.36 -1.59 117.51 120.86 1rkp h ILE 715 Ca 0.14 -1.11 -0.03 0.00 1.00 0.00 0.00 64.86 64.86 1rkp h ILE 715 Cb 0.12 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 36.92 1rkp h ILE 715 CO -0.02 0.41 0.20 0.40 0.00 0.00 0.00 178.15 179.14 1rkp h ILE 716 N 0.98 1.22 -0.22 -0.67 2.04 -0.47 0.13 117.51 120.52 1rkp h ILE 716 Ca 0.18 -0.70 -0.01 0.00 1.00 0.00 0.00 64.86 65.33 1rkp h ILE 716 Cb 0.51 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 37.28 1rkp h ILE 716 CO 0.02 0.26 0.09 0.50 0.00 0.00 0.00 178.15 179.02 1rkp h LYS 717 N 0.71 0.34 -0.76 2.37 3.64 -0.75 -0.76 116.57 121.37 1rkp h LYS 717 Ca 0.17 -0.06 -0.05 0.00 -1.27 0.00 0.00 60.65 59.45 1rkp h LYS 717 Cb 0.21 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.95 1rkp h LYS 717 CO -0.01 0.40 0.29 1.96 -2.27 0.00 0.00 179.45 179.82 1rkp h GLN 718 N 0.21 1.14 -0.46 1.90 4.20 -1.15 -0.19 115.11 120.76 1rkp h GLN 718 Ca 0.07 -0.21 0.00 0.00 0.06 0.00 0.00 58.65 58.58 1rkp h GLN 718 Cb 0.19 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 27.76 1rkp h GLN 718 CO -0.01 0.93 0.30 0.00 -0.67 0.00 0.00 178.83 179.39 1rkp h ALA 719 N 1.15 0.58 -0.35 3.87 0.00 -0.49 0.16 119.26 124.18 1rkp h ALA 719 Ca 0.25 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.98 1rkp h ALA 719 Cb 0.22 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1rkp h ALA 719 CO -0.02 0.03 -0.38 0.82 0.00 0.00 0.00 179.25 179.70 1rkp h ILE 720 N 0.62 1.28 -0.39 0.00 2.04 -0.86 -2.92 117.51 117.28 1rkp h ILE 720 Ca 0.17 -1.55 -0.03 0.00 1.00 0.00 0.00 64.86 64.44 1rkp h ILE 720 Cb -0.07 1.47 -0.02 0.00 -0.74 0.00 0.00 36.82 37.46 1rkp h ILE 720 CO -0.04 0.51 0.12 -0.07 0.00 0.00 0.00 178.15 178.68 1rkp h LEU 721 N 0.67 0.51 -2.49 1.44 3.38 -0.78 -1.63 115.31 116.41 1rkp h LEU 721 Ca 0.05 -0.06 0.01 0.00 0.09 0.00 0.00 57.88 57.96 1rkp h LEU 721 Cb 0.97 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.59 1rkp h LEU 721 CO 0.09 0.50 0.03 0.00 0.09 0.00 0.00 178.44 179.15 1rkp h ALA 722 N 1.58 1.51 0.00 1.53 0.00 -0.76 -1.46 119.26 121.65 1rkp h ALA 722 Ca 0.13 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1rkp h ALA 722 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1rkp h ALA 722 CO -0.01 -0.04 0.00 0.25 0.00 0.00 0.00 179.25 179.46 1rkp n THR 723 N -3.77 0.00 -2.64 0.00 -2.24 -0.61 -4.38 114.28 100.64 1rkp n THR 723 Ca -0.02 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.33 1rkp n THR 723 Cb 0.11 -0.64 -0.02 0.00 -2.10 0.00 0.00 70.33 67.67 1rkp n THR 723 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1rkp s ASP 724 N -1.95 6.64 0.56 3.42 -1.08 -0.55 -4.89 116.67 118.81 1rkp s ASP 724 Ca 0.29 0.46 0.27 0.00 -0.52 0.00 0.00 52.55 53.05 1rkp s ASP 724 Cb 0.13 -2.53 1.48 0.00 -1.46 0.00 0.00 42.92 40.53 1rkp s ASP 724 CO 0.22 -1.20 1.99 -0.07 0.52 0.00 0.00 175.17 176.63 1rkp h LEU 725 N 11.05 0.00 -1.05 -1.34 3.38 -1.89 0.22 115.31 125.68 1rkp h LEU 725 Ca -0.23 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.72 1rkp h LEU 725 Cb 1.06 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.78 1rkp h LEU 725 CO 1.11 0.00 0.42 0.00 0.09 0.00 0.00 178.44 180.06 1rkp h ALA 726 N 1.66 1.27 -0.04 1.53 0.00 -1.92 -0.39 119.26 121.37 1rkp h ALA 726 Ca 0.21 -0.12 -0.18 0.00 0.00 0.00 0.00 54.91 54.82 1rkp h ALA 726 Cb 0.97 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1rkp h ALA 726 CO -0.00 0.59 -0.76 -0.07 0.00 0.00 0.00 179.25 179.01 1rkp h LEU 727 N 1.09 0.35 -0.05 0.00 3.38 -0.89 -2.55 115.31 116.63 1rkp h LEU 727 Ca 0.28 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 1rkp h LEU 727 Cb 0.03 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 1rkp h LEU 727 CO -0.04 0.98 0.03 0.22 0.09 0.00 0.00 178.44 179.71 1rkp h TYR 728 N 0.19 0.08 0.00 1.13 3.20 -0.79 -1.43 116.97 119.35 1rkp h TYR 728 Ca -0.03 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.80 1rkp h TYR 728 Cb 1.33 -0.02 -0.00 0.00 1.54 0.00 0.00 36.73 39.57 1rkp h TYR 728 CO 0.03 0.18 -0.16 0.82 -1.64 0.00 0.00 178.16 177.39 1rkp h ILE 729 N -0.04 0.99 0.00 1.81 2.04 -1.11 0.14 117.51 121.34 1rkp h ILE 729 Ca 0.02 -0.59 -0.23 0.00 1.00 0.00 0.00 64.86 65.06 1rkp h ILE 729 Cb 0.13 1.33 0.00 0.00 -0.74 0.00 0.00 36.82 37.54 1rkp h ILE 729 CO -0.00 0.16 -0.95 0.50 0.00 0.00 0.00 178.15 177.86 1rkp h LYS 730 N 0.00 0.44 0.00 2.37 3.64 -1.11 -3.37 116.57 118.54 1rkp h LYS 730 Ca -0.00 -0.47 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 1rkp h LYS 730 Cb 0.31 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 1rkp h LYS 730 CO 0.02 1.13 -1.10 0.54 -2.27 0.00 0.00 179.45 177.77 1rkp n ARG 731 N -3.75 1.14 -0.15 1.90 1.74 -0.57 -4.53 116.66 112.43 1rkp n ARG 731 Ca -0.07 -0.05 0.02 0.00 -0.77 0.00 0.00 57.85 56.98 1rkp n ARG 731 Cb 0.84 -1.34 0.31 0.00 -1.02 0.00 0.00 32.46 31.25 1rkp n ARG 731 CO 0.00 0.00 0.00 0.07 -1.52 0.00 0.00 177.63 176.18 1rkp h ARG 732 N 0.00 0.83 -0.75 5.56 0.11 -0.89 -2.60 114.38 116.65 1rkp h ARG 732 Ca 0.00 -0.05 0.12 0.00 0.10 0.00 0.00 59.98 60.15 1rkp h ARG 732 Cb 0.52 -0.19 -0.08 0.00 1.11 0.00 0.00 29.97 31.33 1rkp h ARG 732 CO 0.00 0.55 0.34 0.78 0.10 0.00 0.00 179.97 181.75 1rkp h GLY 733 N 0.86 1.14 1.01 0.08 0.00 -1.79 0.81 103.07 105.17 1rkp h GLY 733 Ca 0.25 -0.20 -0.04 0.00 0.00 0.00 0.00 47.33 47.34 1rkp h GLY 733 CO -0.06 -0.02 0.21 -2.09 0.00 0.00 0.00 176.54 174.58 1rkp h GLU 734 N 0.54 0.94 -0.41 4.80 4.81 -1.77 0.21 114.58 123.70 1rkp h GLU 734 Ca 0.39 -0.19 -0.02 0.00 -0.13 0.00 0.00 59.36 59.41 1rkp h GLU 734 Cb 0.52 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.74 1rkp h GLU 734 CO -0.34 0.82 0.19 0.35 -0.73 0.00 0.00 179.01 179.30 1rkp h PHE 735 N 0.86 0.59 -0.38 0.92 3.57 -1.21 0.73 116.94 122.03 1rkp h PHE 735 Ca 0.20 -0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.60 1rkp h PHE 735 Cb 0.27 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.81 1rkp h PHE 735 CO 0.02 0.50 -0.02 0.74 -2.23 0.00 0.00 178.31 177.32 1rkp h PHE 736 N 0.52 0.75 -0.52 0.41 0.05 -0.68 -2.57 116.94 114.90 1rkp h PHE 736 Ca 0.14 -0.14 0.01 0.00 3.82 0.00 0.00 57.97 61.80 1rkp h PHE 736 Cb 0.14 -0.19 -0.03 0.00 2.00 0.00 0.00 35.95 37.87 1rkp h PHE 736 CO -0.01 0.78 0.34 1.49 -0.18 0.00 0.00 178.31 180.74 1rkp h GLU 737 N 0.49 0.68 0.00 1.51 4.81 -0.37 -1.59 114.58 120.13 1rkp h GLU 737 Ca 0.10 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.26 1rkp h GLU 737 Cb 0.50 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.72 1rkp h GLU 737 CO 0.02 0.45 -0.14 -0.07 -0.73 0.00 0.00 179.01 178.55 1rkp h LEU 738 N 0.70 0.00 0.15 1.64 3.38 -0.76 -2.83 115.31 117.59 1rkp h LEU 738 Ca 0.19 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.86 1rkp h LEU 738 Cb -0.08 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.68 1rkp h LEU 738 CO -0.04 0.14 -1.39 0.40 0.09 0.00 0.00 178.44 177.64 1rkp h ILE 739 N 0.00 1.34 0.62 1.22 2.04 -0.95 0.11 117.51 121.89 1rkp h ILE 739 Ca -0.00 -2.91 -0.03 0.00 1.00 0.00 0.00 64.86 62.92 1rkp h ILE 739 Cb 0.30 2.90 -0.00 0.00 -0.74 0.00 0.00 36.82 39.27 1rkp h ILE 739 CO 0.02 0.86 -0.37 0.03 0.00 0.00 0.00 178.15 178.69 1rkp h ARG 740 N 0.08 -0.90 0.00 2.37 3.08 -1.08 -2.27 114.38 115.67 1rkp h ARG 740 Ca -0.19 0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.92 1rkp h ARG 740 Cb 2.02 0.20 0.00 0.00 0.08 0.00 0.00 29.97 32.27 1rkp h ARG 740 CO 0.20 -0.60 0.00 1.63 -1.07 0.00 0.00 179.97 180.13 1rkp n LYS 741 N -5.51 0.55 -3.73 0.04 5.02 -1.12 -4.86 118.16 108.53 1rkp n LYS 741 Ca -0.13 0.00 -0.24 0.00 -2.02 0.00 0.00 58.31 55.92 1rkp n LYS 741 Cb 0.40 -1.37 0.04 0.00 -0.02 0.00 0.00 35.03 34.08 1rkp n LYS 741 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1rkp n ASN 742 N -0.87 -2.99 -0.36 4.39 5.03 -0.85 -4.89 115.26 114.72 1rkp n ASN 742 Ca 0.10 -0.76 0.03 0.00 0.87 0.00 0.00 54.58 54.82 1rkp n ASN 742 Cb 0.04 -4.21 0.08 0.00 -1.02 0.00 0.00 39.78 34.67 1rkp n ASN 742 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1rkp n GLN 743 N -4.47 2.31 -2.00 3.52 6.02 0.36 -5.02 117.38 118.10 1rkp n GLN 743 Ca -0.16 -1.64 -0.42 0.00 -0.01 0.00 0.00 57.00 54.78 1rkp n GLN 743 Cb 0.62 -1.15 -0.03 0.00 1.02 0.00 0.00 30.24 30.69 1rkp n GLN 743 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.06 176.17 1rkp s PHE 744 N -0.91 2.95 -0.16 1.08 5.36 -1.01 -4.99 117.98 120.30 1rkp s PHE 744 Ca 0.13 0.63 -0.04 0.00 -0.96 0.00 0.00 56.93 56.69 1rkp s PHE 744 Cb 0.07 -3.87 0.07 0.00 -0.34 0.00 0.00 43.02 38.94 1rkp s PHE 744 CO 0.09 -3.26 0.14 1.21 -1.46 0.00 0.00 175.22 171.95 1rkp s ASN 745 N 1.45 1.74 0.00 6.13 3.04 -1.26 -5.01 114.94 121.03 1rkp s ASN 745 Ca 0.69 -0.32 0.24 0.00 0.04 0.00 0.00 52.86 53.52 1rkp s ASN 745 Cb -0.41 0.04 1.10 0.00 -1.54 0.00 0.00 41.25 40.45 1rkp s ASN 745 CO 0.31 -0.32 1.78 0.18 -3.04 0.00 0.00 177.10 176.01 1rkp n LEU 746 N 5.30 0.00 0.15 3.21 4.77 -1.26 -3.31 117.00 125.86 1rkp n LEU 746 Ca -0.06 0.41 0.01 0.00 -0.03 0.00 0.00 56.01 56.34 1rkp n LEU 746 Cb 0.49 -0.41 0.21 0.00 -2.33 0.00 0.00 43.42 41.38 1rkp n LEU 746 CO 0.08 -0.08 0.54 -0.08 -1.33 0.00 0.00 177.39 176.52 1rkp h GLU 747 N 0.00 0.00 -5.87 3.23 4.81 -1.97 -3.41 114.58 111.37 1rkp h GLU 747 Ca 0.00 0.00 -0.58 0.00 -0.13 0.00 0.00 59.36 58.65 1rkp h GLU 747 Cb 0.33 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 29.64 1rkp h GLU 747 CO 0.00 0.55 -0.11 0.16 -0.73 0.00 0.00 179.01 178.89 1rkp s ASP 748 N -6.69 6.78 0.33 1.04 -4.77 -1.21 -4.98 116.67 107.17 1rkp s ASP 748 Ca -0.01 0.93 0.11 0.00 -3.30 0.00 0.00 52.55 50.29 1rkp s ASP 748 Cb 0.12 -2.30 0.94 0.00 -1.09 0.00 0.00 42.92 40.59 1rkp s ASP 748 CO 0.74 0.07 1.72 1.55 0.70 0.00 0.00 175.17 179.94 1rkp h PRO 749 N 6.16 0.50 0.07 2.11 0.13 -1.90 -2.28 132.00 136.80 1rkp h PRO 749 Ca -0.44 -0.03 0.01 0.00 -0.87 0.00 0.00 66.00 64.67 1rkp h PRO 749 Cb 1.19 -0.11 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 1rkp h PRO 749 CO 0.72 0.33 -0.09 1.25 -0.23 0.00 0.00 178.00 179.99 1rkp h HIS 750 N 0.52 -0.22 0.00 1.56 -0.00 -1.93 -1.29 115.15 113.78 1rkp h HIS 750 Ca 0.66 0.00 -0.11 0.00 -0.00 0.00 0.00 60.37 60.93 1rkp h HIS 750 Cb 1.34 0.09 -0.02 0.00 -0.00 0.00 0.00 27.41 28.83 1rkp h HIS 750 CO -0.01 -0.14 -0.53 1.96 -0.00 0.00 0.00 177.93 179.22 1rkp h GLN 751 N -0.19 0.00 -0.34 5.26 4.20 -1.72 -1.81 115.11 120.51 1rkp h GLN 751 Ca 0.01 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.66 1rkp h GLN 751 Cb 0.19 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.96 1rkp h GLN 751 CO -0.04 0.53 -0.01 -0.22 -0.67 0.00 0.00 178.83 178.42 1rkp h LYS 752 N 0.00 0.61 -0.78 1.46 3.64 -1.19 0.13 116.57 120.44 1rkp h LYS 752 Ca -0.01 -0.20 -0.04 0.00 -1.27 0.00 0.00 60.65 59.13 1rkp h LYS 752 Cb 1.01 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.74 1rkp h LYS 752 CO 0.07 0.74 0.32 1.49 -2.27 0.00 0.00 179.45 179.79 1rkp h GLU 753 N 0.42 1.17 -0.60 1.90 4.81 -1.11 -0.50 114.58 120.67 1rkp h GLU 753 Ca 0.10 -0.21 -0.06 0.00 -0.13 0.00 0.00 59.36 59.06 1rkp h GLU 753 Cb 0.47 -0.19 -0.03 0.00 0.63 0.00 0.00 28.75 29.63 1rkp h GLU 753 CO 0.02 0.94 0.13 1.25 -0.73 0.00 0.00 179.01 180.62 1rkp h LEU 754 N 1.13 0.89 -0.12 1.64 5.85 -1.05 -2.09 115.31 121.56 1rkp h LEU 754 Ca 0.26 -0.18 -0.02 0.00 0.84 0.00 0.00 57.88 58.78 1rkp h LEU 754 Cb 0.21 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.00 1rkp h LEU 754 CO -0.02 0.87 -0.00 0.15 -0.34 0.00 0.00 178.44 179.10 1rkp h PHE 755 N 0.90 0.23 -0.86 1.25 3.57 -0.16 -1.60 116.94 120.26 1rkp h PHE 755 Ca 0.19 -0.04 0.10 0.00 3.53 0.00 0.00 57.97 61.75 1rkp h PHE 755 Cb 0.35 -0.06 -0.06 0.00 2.79 0.00 0.00 35.95 38.96 1rkp h PHE 755 CO 0.02 0.45 0.56 -0.07 -2.23 0.00 0.00 178.31 177.04 1rkp h LEU 756 N -0.06 0.73 -0.40 0.59 3.38 -0.93 0.32 115.31 118.94 1rkp h LEU 756 Ca 0.03 0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.93 1rkp h LEU 756 Cb 0.36 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1rkp h LEU 756 CO 0.01 0.42 -0.12 0.00 0.09 0.00 0.00 178.44 178.84 1rkp h ALA 757 N 1.58 0.55 -0.60 1.53 0.00 -1.17 -1.32 119.26 119.83 1rkp h ALA 757 Ca 0.40 -0.33 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 1rkp h ALA 757 Cb 0.47 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1rkp h ALA 757 CO -0.17 0.44 -0.03 0.52 0.00 0.00 0.00 179.25 180.01 1rkp h MET 758 N 0.59 1.07 -0.38 0.00 2.86 -0.16 -2.52 114.93 116.39 1rkp h MET 758 Ca 0.10 -0.35 -0.03 0.00 -2.06 0.00 0.00 59.70 57.36 1rkp h MET 758 Cb 0.65 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 32.20 1rkp h MET 758 CO 0.04 1.06 0.13 1.25 1.06 0.00 0.00 176.91 180.45 1rkp h LEU 759 N 0.97 0.54 -0.48 1.22 5.85 -0.32 -0.96 115.31 122.13 1rkp h LEU 759 Ca 0.17 -0.19 0.05 0.00 0.84 0.00 0.00 57.88 58.75 1rkp h LEU 759 Cb 0.59 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.43 1rkp h LEU 759 CO 0.04 0.59 0.22 0.24 -0.34 0.00 0.00 178.44 179.18 1rkp h MET 760 N 0.46 0.42 -0.73 1.25 2.86 -1.14 -1.38 114.93 116.67 1rkp h MET 760 Ca 0.12 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.73 1rkp h MET 760 Cb 0.23 -0.09 -0.04 0.00 0.06 0.00 0.00 31.60 31.76 1rkp h MET 760 CO -0.01 0.28 0.43 1.15 1.06 0.00 0.00 176.91 179.82 1rkp h THR 761 N 0.43 1.21 -0.94 2.22 2.02 -1.17 -0.70 112.91 115.98 1rkp h THR 761 Ca 0.22 -0.49 0.04 0.00 0.77 0.00 0.00 66.41 66.95 1rkp h THR 761 Cb 0.16 0.21 -0.06 0.00 -1.74 0.00 0.00 68.15 66.73 1rkp h THR 761 CO -0.18 0.23 0.62 0.00 0.37 0.00 0.00 175.52 176.55 1rkp h ALA 762 N 1.22 1.41 -0.01 6.16 0.00 -0.25 -1.52 119.26 126.27 1rkp h ALA 762 Ca 0.26 -0.04 -0.22 0.00 0.00 0.00 0.00 54.91 54.91 1rkp h ALA 762 Cb -0.01 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.45 1rkp h ALA 762 CO -0.05 0.49 -0.92 0.00 0.00 0.00 0.00 179.25 178.77 1rkp h ASP 764 N 0.23 0.08 -0.12 0.00 1.82 -0.57 -2.68 116.42 115.19 1rkp h ASP 764 Ca -0.07 -0.02 0.00 0.00 -0.39 0.00 0.00 57.03 56.55 1rkp h ASP 764 Cb 1.55 -0.02 0.00 0.00 0.68 0.00 0.00 39.33 41.54 1rkp h ASP 764 CO 0.16 0.29 0.00 0.18 -1.61 0.00 0.00 179.24 178.25 1rkp n LEU 765 N -4.27 2.86 0.18 2.28 4.77 -0.62 -4.66 117.00 117.53 1rkp n LEU 765 Ca -0.02 -1.15 0.09 0.00 -0.03 0.00 0.00 56.01 54.91 1rkp n LEU 765 Cb 0.28 -0.06 0.51 0.00 -2.33 0.00 0.00 43.42 41.81 1rkp n LEU 765 CO 0.37 0.53 0.85 0.77 -1.33 0.00 0.00 177.39 178.58 1rkp h SER 766 N 3.99 0.00 0.09 -1.43 4.64 -1.09 -1.43 113.55 118.33 1rkp h SER 766 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1rkp h SER 766 Cb 0.87 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.96 1rkp h SER 766 CO 0.00 0.00 -0.03 0.00 -0.87 0.00 0.00 176.83 175.93 1rkp h ALA 767 N 1.53 1.46 0.00 5.18 0.00 -1.83 -0.43 119.26 125.18 1rkp h ALA 767 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1rkp h ALA 767 Cb 0.36 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1rkp h ALA 767 CO 0.00 0.04 0.00 1.51 0.00 0.00 0.00 179.25 180.80 1rkp n ILE 768 N -3.80 0.84 0.93 0.00 0.13 -0.54 -2.97 119.36 113.96 1rkp n ILE 768 Ca -0.03 0.20 0.10 0.00 -1.10 0.00 0.00 62.75 61.92 1rkp n ILE 768 Cb 0.12 -1.00 -0.04 0.00 -0.84 0.00 0.00 39.64 37.88 1rkp n ILE 768 CO 0.00 0.00 0.00 0.35 2.80 0.00 0.00 176.55 179.70 1rkp n THR 769 N -1.82 0.00 -1.05 9.51 -2.24 -0.17 -4.28 114.28 114.23 1rkp n THR 769 Ca 0.03 -0.20 -0.30 0.00 -2.27 0.00 0.00 64.05 61.31 1rkp n THR 769 Cb 0.22 1.16 0.14 0.00 -2.10 0.00 0.00 70.33 69.75 1rkp n THR 769 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1rkp s LYS 770 N -2.51 1.35 0.46 -0.78 -0.14 -1.16 -4.15 119.74 112.80 1rkp s LYS 770 Ca 0.14 1.11 -0.23 0.00 -1.36 0.00 0.00 55.97 55.63 1rkp s LYS 770 Cb 0.16 -1.80 -0.09 0.00 -1.68 0.00 0.00 37.83 34.42 1rkp s LYS 770 CO 0.62 -2.26 1.03 -2.30 -0.76 0.00 0.00 175.35 171.68 1rkp n PRO 771 N -3.94 1.34 -0.37 -1.68 -0.02 -1.26 -4.33 135.00 124.74 1rkp n PRO 771 Ca 0.08 0.48 0.01 0.00 -2.02 0.00 0.00 63.50 62.06 1rkp n PRO 771 Cb 0.54 -2.11 0.07 0.00 -0.02 0.00 0.00 33.50 31.98 1rkp n PRO 771 CO 0.00 0.00 0.00 1.87 1.98 0.00 0.00 175.50 179.35 1rkp n TRP 772 N -0.70 0.13 0.01 6.00 -0.00 -1.26 -0.27 117.44 121.35 1rkp n TRP 772 Ca 0.10 1.21 0.03 0.00 -0.00 0.00 0.00 57.50 58.84 1rkp n TRP 772 Cb 0.41 -0.93 0.39 0.00 -0.00 0.00 0.00 31.31 31.17 1rkp n TRP 772 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 177.69 176.69 1rkp h PRO 773 N 0.00 0.51 0.03 5.87 0.13 -2.00 -0.58 132.00 135.96 1rkp h PRO 773 Ca 0.38 -0.06 -0.00 0.00 -0.87 0.00 0.00 66.00 65.45 1rkp h PRO 773 Cb 0.63 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 31.66 1rkp h PRO 773 CO -0.99 0.41 -0.02 0.82 -0.23 0.00 0.00 178.00 177.99 1rkp h ILE 774 N 0.51 1.36 -0.85 -3.56 1.08 -0.96 -3.17 117.51 111.93 1rkp h ILE 774 Ca 0.13 -1.38 0.08 0.00 -0.39 0.00 0.00 64.86 63.30 1rkp h ILE 774 Cb 0.08 2.26 -0.07 0.00 -3.07 0.00 0.00 36.82 36.03 1rkp h ILE 774 CO -0.02 0.34 0.51 -0.61 -0.69 0.00 0.00 178.15 177.69 1rkp h GLN 775 N -0.66 0.86 -0.96 2.37 5.75 -0.72 -0.36 115.11 121.38 1rkp h GLN 775 Ca -0.00 -0.05 0.15 0.00 -0.15 0.00 0.00 58.65 58.60 1rkp h GLN 775 Cb 0.60 -0.19 -0.10 0.00 1.07 0.00 0.00 27.48 28.86 1rkp h GLN 775 CO 0.01 0.57 0.57 1.96 -2.65 0.00 0.00 178.83 179.29 1rkp h GLN 776 N 0.89 0.79 -0.09 1.69 4.20 -1.15 0.86 115.11 122.30 1rkp h GLN 776 Ca 0.39 -0.05 -0.06 0.00 0.06 0.00 0.00 58.65 59.00 1rkp h GLN 776 Cb 0.27 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 27.88 1rkp h GLN 776 CO -0.21 0.52 -0.16 0.00 -0.67 0.00 0.00 178.83 178.31 1rkp h ARG 777 N 0.81 0.26 0.00 1.46 2.47 -1.09 -2.80 114.38 115.49 1rkp h ARG 777 Ca 0.52 -0.17 -0.03 0.00 -1.26 0.00 0.00 59.98 59.04 1rkp h ARG 777 Cb 0.68 0.02 -0.00 0.00 -1.65 0.00 0.00 29.97 29.02 1rkp h ARG 777 CO -0.33 0.75 -0.16 -0.07 0.56 0.00 0.00 179.97 180.72 1rkp h LEU 778 N -0.20 0.00 -0.77 3.04 3.38 -0.57 -1.17 115.31 119.03 1rkp h LEU 778 Ca 0.00 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 1rkp h LEU 778 Cb 0.74 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 1rkp h LEU 778 CO 0.04 0.16 -0.40 0.00 0.09 0.00 0.00 178.44 178.32 1rkp h ALA 779 N 1.84 0.94 -0.29 1.53 0.00 -0.82 -2.30 119.26 120.17 1rkp h ALA 779 Ca -0.00 -0.43 0.02 0.00 0.00 0.00 0.00 54.91 54.50 1rkp h ALA 779 Cb 0.28 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1rkp h ALA 779 CO 0.02 0.63 0.13 0.93 0.00 0.00 0.00 179.25 180.96 1rkp h GLU 780 N 0.38 0.28 -0.19 0.00 5.08 -0.94 0.17 114.58 119.35 1rkp h GLU 780 Ca 0.03 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.39 1rkp h GLU 780 Cb 0.87 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.04 1rkp h GLU 780 CO 0.07 0.18 0.09 -0.07 -1.00 0.00 0.00 179.01 178.29 1rkp h LEU 781 N 0.29 0.14 -0.58 1.33 3.38 -1.27 0.74 115.31 119.34 1rkp h LEU 781 Ca 0.12 0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.11 1rkp h LEU 781 Cb 0.05 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 1rkp h LEU 781 CO -0.09 0.11 0.37 0.58 0.09 0.00 0.00 178.44 179.50 1rkp h VAL 782 N 0.20 1.12 -0.77 1.22 2.07 -1.13 -1.70 116.25 117.27 1rkp h VAL 782 Ca 0.08 -0.26 -0.04 0.00 0.82 0.00 0.00 66.70 67.30 1rkp h VAL 782 Cb 0.02 0.30 -0.04 0.00 -1.52 0.00 0.00 31.29 30.05 1rkp h VAL 782 CO -0.05 0.14 0.34 0.00 0.02 0.00 0.00 177.57 178.02 1rkp h ALA 783 N 1.22 1.14 -0.11 1.67 0.00 -0.62 -1.05 119.26 121.52 1rkp h ALA 783 Ca 0.22 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1rkp h ALA 783 Cb -0.06 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.42 1rkp h ALA 783 CO -0.06 0.63 0.06 1.15 0.00 0.00 0.00 179.25 181.03 1rkp h THR 784 N 1.11 1.10 -0.64 0.00 2.02 -0.27 0.06 112.91 116.30 1rkp h THR 784 Ca 0.26 -0.28 -0.05 0.00 0.77 0.00 0.00 66.41 67.12 1rkp h THR 784 Cb 0.16 1.08 -0.03 0.00 -1.74 0.00 0.00 68.15 67.63 1rkp h THR 784 CO -0.03 0.09 0.21 -0.08 0.37 0.00 0.00 175.52 176.08 1rkp h GLU 785 N 0.07 0.96 -0.06 6.66 4.81 -1.13 0.11 114.58 126.00 1rkp h GLU 785 Ca 0.04 -0.18 -0.04 0.00 -0.13 0.00 0.00 59.36 59.06 1rkp h GLU 785 Cb 0.09 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.32 1rkp h GLU 785 CO -0.01 0.81 -0.10 0.74 -0.73 0.00 0.00 179.01 179.72 1rkp h PHE 786 N 0.93 0.21 0.01 0.92 0.05 -0.96 -3.32 116.94 114.77 1rkp h PHE 786 Ca 0.21 -0.08 -0.41 0.00 3.82 0.00 0.00 57.97 61.52 1rkp h PHE 786 Cb 0.24 -0.04 -0.07 0.00 2.00 0.00 0.00 35.95 38.09 1rkp h PHE 786 CO 0.02 0.69 -2.44 1.19 -0.18 0.00 0.00 178.31 177.59 1rkp n PHE 787 N -4.67 0.11 0.07 -0.55 3.72 -0.01 -4.74 117.46 111.39 1rkp n PHE 787 Ca -0.08 0.03 -0.22 0.00 -0.05 0.00 0.00 57.45 57.13 1rkp n PHE 787 Cb 0.35 -1.01 -0.15 0.00 -0.94 0.00 0.00 39.48 37.73 1rkp n PHE 787 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 1rkp h ASP 788 N -0.33 0.57 -4.16 4.37 3.32 -1.12 -3.47 116.42 115.60 1rkp h ASP 788 Ca -0.60 -0.89 -0.50 0.00 0.02 0.00 0.00 57.03 55.07 1rkp h ASP 788 Cb 1.80 -0.19 0.06 0.00 0.22 0.00 0.00 39.33 41.23 1rkp h ASP 788 CO -0.19 1.75 0.33 -1.10 -1.72 0.00 0.00 179.24 178.32 1rkp s GLN 789 N -2.58 3.27 0.00 3.56 -0.21 0.18 -4.41 119.66 119.47 1rkp s GLN 789 Ca -0.16 0.46 0.00 0.00 0.02 0.00 0.00 55.36 55.68 1rkp s GLN 789 Cb 0.06 -2.14 0.00 0.00 1.00 0.00 0.00 33.01 31.93 1rkp s GLN 789 CO 0.85 -0.67 0.00 0.41 -2.12 0.00 0.00 175.29 173.76 1rkp n GLY 790 N -2.72 -0.35 0.00 3.09 0.00 -1.26 -4.76 105.19 99.19 1rkp n GLY 790 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1rkp n GLY 790 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1rkp n ASP 791 N 0.00 0.00 0.00 1.61 -0.08 -1.26 -4.84 116.55 111.98 1rkp n ASP 791 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1rkp n ASP 791 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 1rkp n ASP 791 CO 0.00 0.00 0.00 -1.14 0.12 0.00 0.00 177.20 176.18 1rkp n ARG 792 N 0.00 1.53 -1.41 -0.67 0.63 -1.26 -5.24 116.66 110.24 1rkp n ARG 792 Ca 0.00 0.00 -0.31 0.00 -0.92 0.00 0.00 57.85 56.62 1rkp n ARG 792 Cb 0.00 0.00 0.08 0.00 0.45 0.00 0.00 32.46 32.99 1rkp n ARG 792 CO 0.00 0.00 0.00 -2.00 -2.51 0.00 0.00 177.63 173.12 1rkp s GLU 808 N 4.51 2.44 -0.09 -0.14 2.56 -1.26 -5.03 118.70 121.70 1rkp s GLU 808 Ca 0.00 1.21 -0.11 0.00 0.00 0.00 0.00 54.97 56.07 1rkp s GLU 808 Cb 0.00 -1.92 -0.09 0.00 2.00 0.00 0.00 34.13 34.12 1rkp s GLU 808 CO 0.00 -1.50 0.37 -0.22 -0.56 0.00 0.00 175.26 173.35 1rkp h LYS 809 N -0.81 -0.09 -0.93 4.30 3.64 -2.03 -3.38 116.57 117.27 1rkp h LYS 809 Ca -0.44 0.01 0.13 0.00 -1.27 0.00 0.00 60.65 59.07 1rkp h LYS 809 Cb 1.23 0.02 -0.14 0.00 -0.41 0.00 0.00 32.23 32.93 1rkp h LYS 809 CO 0.52 0.20 -0.41 1.63 -2.27 0.00 0.00 179.45 179.13 1rkp n LYS 810 N -4.81 -0.27 -0.43 1.90 5.02 -1.26 -0.76 118.16 117.55 1rkp n LYS 810 Ca -0.04 1.43 0.36 0.00 -2.02 0.00 0.00 58.31 58.03 1rkp n LYS 810 Cb 0.17 -2.11 0.65 0.00 -0.02 0.00 0.00 35.03 33.72 1rkp n LYS 810 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 1rkp h ASN 811 N 0.00 0.23 0.99 4.39 2.35 -2.03 0.90 115.58 122.41 1rkp h ASN 811 Ca 0.28 0.09 -0.07 0.00 -0.55 0.00 0.00 56.30 56.05 1rkp h ASN 811 Cb 0.51 0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.94 1rkp h ASN 811 CO -0.91 -0.08 -0.34 0.11 -1.65 0.00 0.00 177.43 174.56 1rkp h LYS 812 N 0.13 0.00 0.24 0.81 1.57 -1.15 -3.35 116.57 114.82 1rkp h LYS 812 Ca 0.76 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.52 1rkp h LYS 812 Cb 2.45 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.76 1rkp h LYS 812 CO -0.30 0.34 -0.12 0.82 -0.57 0.00 0.00 179.45 179.63 1rkp h ILE 813 N 0.00 0.80 -0.43 1.86 2.04 0.82 -2.29 117.51 120.31 1rkp h ILE 813 Ca -0.00 -0.24 0.07 0.00 1.00 0.00 0.00 64.86 65.68 1rkp h ILE 813 Cb 0.93 0.94 -0.06 0.00 -0.74 0.00 0.00 36.82 37.89 1rkp h ILE 813 CO 0.04 0.05 0.10 1.55 0.00 0.00 0.00 178.15 179.90 1rkp h PRO 814 N -0.44 0.23 -0.28 2.37 0.13 -1.70 0.44 132.00 132.75 1rkp h PRO 814 Ca -0.03 -0.01 -0.11 0.00 -0.87 0.00 0.00 66.00 64.97 1rkp h PRO 814 Cb 0.34 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 31.40 1rkp h PRO 814 CO 0.05 0.15 -0.28 0.66 -0.23 0.00 0.00 178.00 178.36 1rkp h SER 815 N 0.24 0.58 -0.38 1.44 4.64 -1.76 -1.95 113.55 116.35 1rkp h SER 815 Ca 0.21 -0.21 -0.01 0.00 -0.47 0.00 0.00 61.79 61.30 1rkp h SER 815 Cb 0.25 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 62.16 1rkp h SER 815 CO -0.26 0.84 0.20 -0.03 -0.87 0.00 0.00 176.83 176.71 1rkp h MET 816 N 0.50 0.54 -0.18 4.77 -1.53 -0.77 -0.53 114.93 117.73 1rkp h MET 816 Ca 0.07 -0.07 -0.09 0.00 -3.44 0.00 0.00 59.70 56.16 1rkp h MET 816 Cb 0.74 -0.10 -0.01 0.00 -0.55 0.00 0.00 31.60 31.67 1rkp h MET 816 CO 0.06 0.46 -0.31 1.96 0.14 0.00 0.00 176.91 179.22 1rkp h GLN 817 N 0.49 0.35 -0.24 0.39 1.08 -0.78 -0.13 115.11 116.26 1rkp h GLN 817 Ca 0.13 -0.14 -0.16 0.00 -1.45 0.00 0.00 58.65 57.04 1rkp h GLN 817 Cb 0.08 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.50 1rkp h GLN 817 CO -0.02 0.62 -0.46 0.28 -0.95 0.00 0.00 178.83 178.30 1rkp h VAL 818 N 0.30 1.30 -0.59 -0.54 2.07 -1.09 -1.45 116.25 116.26 1rkp h VAL 818 Ca 0.04 -1.67 -0.04 0.00 0.82 0.00 0.00 66.70 65.85 1rkp h VAL 818 Cb 0.69 1.76 -0.03 0.00 -1.52 0.00 0.00 31.29 32.20 1rkp h VAL 818 CO 0.05 0.53 0.20 1.23 0.02 0.00 0.00 177.57 179.60 1rkp h GLY 819 N 0.47 0.98 0.99 2.17 0.00 -0.91 -1.08 103.07 105.68 1rkp h GLY 819 Ca 0.01 -0.57 0.00 0.00 0.00 0.00 0.00 47.33 46.77 1rkp h GLY 819 CO 0.10 0.54 0.17 -2.75 0.00 0.00 0.00 176.54 174.60 1rkp h PHE 820 N 0.84 0.33 -0.14 5.60 3.57 -0.97 -1.32 116.94 124.85 1rkp h PHE 820 Ca 0.19 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.69 1rkp h PHE 820 Cb 0.27 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.89 1rkp h PHE 820 CO 0.02 0.20 0.06 0.82 -2.23 0.00 0.00 178.31 177.18 1rkp h ILE 821 N 0.35 1.14 0.59 1.41 2.04 -1.02 -0.57 117.51 121.45 1rkp h ILE 821 Ca 0.10 -0.42 -0.03 0.00 1.00 0.00 0.00 64.86 65.51 1rkp h ILE 821 Cb -0.04 1.16 0.01 0.00 -0.74 0.00 0.00 36.82 37.21 1rkp h ILE 821 CO -0.03 0.13 -0.29 0.44 0.00 0.00 0.00 178.15 178.41 1rkp h ASP 822 N 0.08 -0.68 -0.13 1.72 3.32 -1.11 0.02 116.42 119.65 1rkp h ASP 822 Ca 0.05 -0.01 -0.10 0.00 0.02 0.00 0.00 57.03 56.98 1rkp h ASP 822 Cb 0.15 0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 1rkp h ASP 822 CO -0.00 -0.41 -0.23 0.00 -1.72 0.00 0.00 179.24 176.88 1rkp h ALA 823 N -0.56 1.05 0.00 3.45 0.00 -1.30 -3.41 119.26 118.49 1rkp h ALA 823 Ca -0.08 -0.35 -0.07 0.00 0.00 0.00 0.00 54.91 54.41 1rkp h ALA 823 Cb 0.65 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1rkp h ALA 823 CO 0.13 0.58 -1.26 -0.89 0.00 0.00 0.00 179.25 177.81 1rkp n ILE 824 N -4.12 0.26 -0.07 0.00 2.08 -0.24 -4.96 119.36 112.31 1rkp n ILE 824 Ca -0.00 -0.10 -0.19 0.00 0.56 0.00 0.00 62.75 63.03 1rkp n ILE 824 Cb 0.41 -0.79 -0.12 0.00 -0.75 0.00 0.00 39.64 38.38 1rkp n ILE 824 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1rkp h LEU 826 N -0.90 -1.41 -0.96 0.00 3.38 -1.22 -2.05 115.31 112.15 1rkp h LEU 826 Ca -0.20 0.23 0.02 0.00 0.09 0.00 0.00 57.88 58.01 1rkp h LEU 826 Cb 1.25 0.63 -0.05 0.00 0.09 0.00 0.00 40.66 42.58 1rkp h LEU 826 CO -0.09 -0.35 0.64 1.56 0.09 0.00 0.00 178.44 180.29 1rkp h GLN 827 N -0.28 1.24 0.17 1.13 4.20 -1.83 -1.54 115.11 118.19 1rkp h GLN 827 Ca 0.16 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.79 1rkp h GLN 827 Cb 0.57 -0.28 0.00 0.00 0.30 0.00 0.00 27.48 28.07 1rkp h GLN 827 CO -0.61 0.82 -0.08 1.25 -0.67 0.00 0.00 178.83 179.53 1rkp h LEU 828 N 1.27 -0.20 -1.37 1.46 5.85 -1.57 0.13 115.31 120.88 1rkp h LEU 828 Ca 0.37 -0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.99 1rkp h LEU 828 Cb -0.09 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 1rkp h LEU 828 CO -0.10 -0.10 -0.31 1.88 -0.34 0.00 0.00 178.44 179.48 1rkp h TYR 829 N -0.28 0.00 -0.08 1.25 -1.99 -1.29 0.41 116.97 114.99 1rkp h TYR 829 Ca -0.02 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.68 1rkp h TYR 829 Cb 0.22 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 38.94 1rkp h TYR 829 CO -0.05 0.31 -0.04 0.93 -0.00 0.00 0.00 178.16 179.31 1rkp h GLU 830 N 0.00 0.16 -0.47 4.88 5.08 -0.99 -1.49 114.58 121.75 1rkp h GLU 830 Ca -0.00 -0.07 0.04 0.00 -1.00 0.00 0.00 59.36 58.33 1rkp h GLU 830 Cb 0.60 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.80 1rkp h GLU 830 CO 0.04 0.53 0.23 0.00 -1.00 0.00 0.00 179.01 178.81 1rkp h ALA 831 N 0.63 0.60 -0.95 3.43 0.00 -0.28 -2.27 119.26 120.41 1rkp h ALA 831 Ca 0.02 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1rkp h ALA 831 Cb 0.48 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.16 1rkp h ALA 831 CO 0.01 -0.12 0.60 1.25 0.00 0.00 0.00 179.25 180.99 1rkp h LEU 832 N 0.46 1.12 -1.27 0.00 5.85 -0.86 -2.33 115.31 118.29 1rkp h LEU 832 Ca 0.21 -0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.86 1rkp h LEU 832 Cb 0.12 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.84 1rkp h LEU 832 CO -0.15 0.84 0.26 0.74 -0.34 0.00 0.00 178.44 179.79 1rkp h THR 833 N 1.30 1.18 -0.45 1.05 2.02 -0.71 -0.91 112.91 116.40 1rkp h THR 833 Ca 0.34 -0.52 -0.06 0.00 0.77 0.00 0.00 66.41 66.95 1rkp h THR 833 Cb -0.10 0.50 -0.02 0.00 -1.74 0.00 0.00 68.15 66.79 1rkp h THR 833 CO -0.07 0.21 0.06 0.45 0.37 0.00 0.00 175.52 176.54 1rkp h HIS 834 N 0.76 0.80 -0.84 3.16 3.86 -1.00 -2.12 115.15 119.78 1rkp h HIS 834 Ca 0.19 -0.12 -0.03 0.00 -1.16 0.00 0.00 60.37 59.26 1rkp h HIS 834 Cb 0.09 -0.22 -0.04 0.00 1.06 0.00 0.00 27.41 28.30 1rkp h HIS 834 CO 0.01 0.76 0.42 0.28 0.86 0.00 0.00 177.93 180.26 1rkp h VAL 835 N 0.61 1.25 -2.64 2.45 2.07 -1.10 -3.40 116.25 115.49 1rkp h VAL 835 Ca 0.13 -0.68 -0.34 0.00 0.82 0.00 0.00 66.70 66.63 1rkp h VAL 835 Cb 0.40 0.17 -0.37 0.00 -1.52 0.00 0.00 31.29 29.97 1rkp h VAL 835 CO 0.01 0.30 -0.65 -0.55 0.02 0.00 0.00 177.57 176.70 1rkp s SER 836 N -6.23 1.54 0.38 0.57 0.15 -0.40 -5.02 113.70 104.69 1rkp s SER 836 Ca -0.13 -0.28 0.15 0.00 0.70 0.00 0.00 55.95 56.40 1rkp s SER 836 Cb 0.16 0.26 1.01 0.00 -1.71 0.00 0.00 66.02 65.74 1rkp s SER 836 CO 0.83 -0.33 1.80 -0.33 1.20 0.00 0.00 173.24 176.40 1rkp h GLU 837 N 8.33 0.48 0.00 5.44 4.39 -1.62 -1.43 114.58 130.17 1rkp h GLU 837 Ca -0.17 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.51 1rkp h GLU 837 Cb 1.15 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.69 1rkp h GLU 837 CO 0.28 0.32 0.00 -0.25 -1.16 0.00 0.00 179.01 178.19 1rkp n ASP 838 N -4.63 0.00 -0.97 1.42 8.00 -1.26 -2.07 116.55 117.03 1rkp n ASP 838 Ca 0.23 0.18 0.10 0.00 0.71 0.00 0.00 54.79 56.02 1rkp n ASP 838 Cb 0.75 -0.31 0.27 0.00 -0.02 0.00 0.00 41.12 41.80 1rkp n ASP 838 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1rkp h PHE 840 N 3.44 0.45 -0.86 0.00 3.57 -1.60 -2.05 116.94 119.88 1rkp h PHE 840 Ca 0.00 0.04 0.25 0.00 3.53 0.00 0.00 57.97 61.79 1rkp h PHE 840 Cb 0.77 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 39.39 1rkp h PHE 840 CO 0.28 0.02 0.62 -1.00 -2.23 0.00 0.00 178.31 176.00 1rkp h PRO 841 N 0.39 0.00 -0.27 6.41 0.13 -1.86 0.31 132.00 137.11 1rkp h PRO 841 Ca 0.41 -0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.51 1rkp h PRO 841 Cb 0.65 -0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.77 1rkp h PRO 841 CO -0.43 0.00 0.05 -0.07 -0.23 0.00 0.00 178.00 177.32 1rkp h LEU 842 N 0.00 0.42 -0.22 1.56 3.38 -1.72 0.17 115.31 118.89 1rkp h LEU 842 Ca 0.41 -0.25 -0.03 0.00 0.09 0.00 0.00 57.88 58.10 1rkp h LEU 842 Cb 1.64 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 42.27 1rkp h LEU 842 CO -0.00 0.56 0.01 0.25 0.09 0.00 0.00 178.44 179.34 1rkp h LEU 843 N 0.26 0.37 -0.13 1.67 5.85 -0.69 -1.37 115.31 121.27 1rkp h LEU 843 Ca 0.08 -0.30 0.03 0.00 0.84 0.00 0.00 57.88 58.53 1rkp h LEU 843 Cb 0.31 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.21 1rkp h LEU 843 CO 0.00 0.58 -0.06 -0.78 -0.34 0.00 0.00 178.44 177.84 1rkp h ASP 844 N 0.15 -0.21 -0.99 1.25 -0.00 -0.46 -0.88 116.42 115.28 1rkp h ASP 844 Ca 0.06 0.05 0.06 0.00 -0.00 0.00 0.00 57.03 57.21 1rkp h ASP 844 Cb 0.39 0.12 -0.07 0.00 -0.00 0.00 0.00 39.33 39.77 1rkp h ASP 844 CO 0.01 -0.09 0.64 1.23 -0.00 0.00 0.00 179.24 181.04 1rkp h GLY 845 N -0.05 1.49 1.10 -0.78 0.00 -0.57 -0.41 103.07 103.86 1rkp h GLY 845 Ca 0.07 -0.47 -0.08 0.00 0.00 0.00 0.00 47.33 46.86 1rkp h GLY 845 CO -0.16 0.34 0.12 0.00 0.00 0.00 0.00 176.54 176.84 1rkp h ARG 847 N 1.04 0.39 -0.72 0.00 3.08 -0.38 -1.86 114.38 115.94 1rkp h ARG 847 Ca 0.21 -0.16 0.06 0.00 0.07 0.00 0.00 59.98 60.16 1rkp h ARG 847 Cb 0.42 -0.02 -0.06 0.00 0.08 0.00 0.00 29.97 30.40 1rkp h ARG 847 CO 0.01 0.65 0.41 0.87 -1.07 0.00 0.00 179.97 180.85 1rkp h LYS 848 N 0.11 0.73 -0.37 0.04 1.57 -0.99 -1.38 116.57 116.28 1rkp h LYS 848 Ca 0.05 -0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 58.72 1rkp h LYS 848 Cb 0.52 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.64 1rkp h LYS 848 CO 0.02 0.48 -0.06 -0.91 -0.57 0.00 0.00 179.45 178.42 1rkp h ASN 849 N 0.75 0.59 -0.34 0.86 2.35 -1.28 -1.51 115.58 117.00 1rkp h ASN 849 Ca 0.32 -0.14 -0.01 0.00 -0.55 0.00 0.00 56.30 55.92 1rkp h ASN 849 Cb 0.19 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.39 1rkp h ASN 849 CO -0.18 0.69 0.17 -0.09 -1.65 0.00 0.00 177.43 176.37 1rkp h ARG 850 N 0.57 0.48 -0.18 0.81 2.43 -0.42 -0.52 114.38 117.55 1rkp h ARG 850 Ca 0.11 -0.06 0.04 0.00 -0.81 0.00 0.00 59.98 59.26 1rkp h ARG 850 Cb 0.45 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 29.87 1rkp h ARG 850 CO 0.02 0.42 -0.06 0.37 -1.51 0.00 0.00 179.97 179.21 1rkp h GLN 851 N 0.42 -0.02 -0.08 0.20 4.15 -1.02 0.52 115.11 119.27 1rkp h GLN 851 Ca 0.12 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.54 1rkp h GLN 851 Cb 0.09 0.01 -0.00 0.00 0.21 0.00 0.00 27.48 27.78 1rkp h GLN 851 CO -0.02 -0.02 0.05 0.87 -1.93 0.00 0.00 178.83 177.79 1rkp h LYS 852 N -0.02 0.11 -0.55 1.69 1.79 -1.02 -1.61 116.57 116.97 1rkp h LYS 852 Ca 0.09 -0.01 -0.08 0.00 -2.18 0.00 0.00 60.65 58.47 1rkp h LYS 852 Cb 0.16 -0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 30.76 1rkp h LYS 852 CO -0.20 0.09 0.01 -1.49 -1.08 0.00 0.00 179.45 176.78 1rkp h TRP 853 N 0.10 0.99 -0.56 -1.35 -0.00 -0.92 -2.61 115.95 111.60 1rkp h TRP 853 Ca 0.03 -0.15 -0.05 0.00 -0.00 0.00 0.00 58.89 58.72 1rkp h TRP 853 Cb 0.00 -0.27 -0.02 0.00 -0.00 0.00 0.00 29.16 28.87 1rkp h TRP 853 CO -0.07 0.89 0.16 0.37 -0.00 0.00 0.00 178.44 179.79 1rkp h GLN 854 N 0.86 0.89 -0.95 0.49 -0.00 -0.75 0.18 115.11 115.81 1rkp h GLN 854 Ca 0.16 -0.20 0.03 0.00 -0.00 0.00 0.00 58.65 58.64 1rkp h GLN 854 Cb 0.49 -0.12 -0.05 0.00 0.00 0.00 0.00 27.48 27.79 1rkp h GLN 854 CO 0.02 0.81 0.63 0.00 0.00 0.00 0.00 178.83 180.29 1rkp h ALA 855 N 1.03 1.37 -0.24 3.38 0.00 -1.14 -1.11 119.26 122.55 1rkp h ALA 855 Ca 0.18 -0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.88 1rkp h ALA 855 Cb 0.31 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1rkp h ALA 855 CO -0.00 0.54 -0.51 -0.07 0.00 0.00 0.00 179.25 179.21 1rkp h LEU 856 N 1.22 0.75 -0.78 0.00 3.38 -1.03 -2.83 115.31 116.03 1rkp h LEU 856 Ca 0.37 -0.39 0.06 0.00 0.09 0.00 0.00 57.88 58.01 1rkp h LEU 856 Cb -0.02 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 40.45 1rkp h LEU 856 CO -0.11 1.13 0.47 0.00 0.09 0.00 0.00 178.44 180.02 1rkp h ALA 857 N 0.89 1.06 0.00 1.53 0.00 0.47 0.47 119.26 123.68 1rkp h ALA 857 Ca 0.02 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1rkp h ALA 857 Cb 1.08 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1rkp h ALA 857 CO 0.10 0.19 0.00 0.39 0.00 0.00 0.00 179.25 179.93 1rkp n GLU 858 N -4.68 0.42 -1.11 0.00 1.02 -0.53 -4.96 120.64 110.79 1rkp n GLU 858 Ca 0.11 0.05 0.00 0.00 -0.02 0.00 0.00 57.16 57.29 1rkp n GLU 858 Cb 0.17 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.09 1rkp n GLU 858 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1rkp n GLN 859 N -1.24 -0.62 0.00 3.49 6.02 0.16 -5.10 117.38 120.10 1rkp n GLN 859 Ca 0.13 0.89 0.14 0.00 -0.01 0.00 0.00 57.00 58.15 1rkp n GLN 859 Cb 0.18 -0.95 0.61 0.00 1.02 0.00 0.00 30.24 31.11 1rkp n GLN 859 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09