#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2juh n VAL 562 N 0.00 -0.36 -3.66 0.52 0.24 -1.26 -4.88 118.33 108.93 2juh n VAL 562 Ca 0.00 -0.18 -0.11 0.00 -2.04 0.00 0.00 64.34 62.01 2juh n VAL 562 Cb 0.00 -0.60 -0.12 0.00 -1.47 0.00 0.00 33.84 31.65 2juh n VAL 562 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 2juh s ASN 563 N -3.44 0.10 0.67 -1.34 -0.87 -1.26 -5.16 114.94 103.63 2juh s ASN 563 Ca 0.42 0.76 -0.00 0.00 -1.57 0.00 0.00 52.86 52.46 2juh s ASN 563 Cb -0.24 0.96 0.12 0.00 -0.02 0.00 0.00 41.25 42.06 2juh s ASN 563 CO 0.87 -0.24 0.81 0.00 -2.57 0.00 0.00 177.10 175.97 2juh n GLN 564 N 5.35 0.03 -4.48 -0.60 6.02 -1.26 -5.13 117.38 117.30 2juh n GLN 564 Ca -0.07 -2.20 -0.24 0.00 -0.01 0.00 0.00 57.00 54.48 2juh n GLN 564 Cb 0.50 -0.54 -0.10 0.00 1.02 0.00 0.00 30.24 31.12 2juh n GLN 564 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 2juh s LYS 565 N -4.59 1.68 -0.29 -1.09 0.00 -1.26 -5.12 119.74 109.06 2juh s LYS 565 Ca 0.54 -1.81 0.02 0.00 0.00 0.00 0.00 55.97 54.71 2juh s LYS 565 Cb -0.03 -1.61 0.07 0.00 0.00 0.00 0.00 37.83 36.26 2juh s LYS 565 CO 0.36 0.21 -0.03 -1.12 0.00 0.00 0.00 175.35 174.77 2juh s SER 566 N -3.52 4.67 -0.49 0.03 0.01 -1.26 -5.01 113.70 108.13 2juh s SER 566 Ca 0.30 -1.56 0.08 0.00 1.31 0.00 0.00 55.95 56.08 2juh s SER 566 Cb -0.01 -1.62 0.28 0.00 0.21 0.00 0.00 66.02 64.88 2juh s SER 566 CO 0.14 -0.27 0.68 0.29 0.41 0.00 0.00 173.24 174.50 2juh n LYS 567 N 4.45 1.68 -2.34 12.44 4.01 -1.26 -5.11 118.16 132.04 2juh n LYS 567 Ca -0.10 -3.94 -0.33 0.00 -0.51 0.00 0.00 58.31 53.44 2juh n LYS 567 Cb 0.42 -1.77 -0.02 0.00 -0.51 0.00 0.00 35.03 33.15 2juh n LYS 567 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 2juh s ARG 568 N -2.10 3.72 0.25 1.97 1.81 -1.26 -5.04 118.95 118.30 2juh s ARG 568 Ca 0.39 1.14 -0.17 0.00 -1.72 0.00 0.00 55.73 55.37 2juh s ARG 568 Cb 0.21 -2.09 -0.08 0.00 -0.45 0.00 0.00 34.95 32.53 2juh s ARG 568 CO -0.08 -0.48 0.71 -1.54 -0.68 0.00 0.00 175.30 173.24 2juh s SER 569 N -2.68 6.93 0.15 0.23 1.04 -1.26 -5.08 113.70 113.03 2juh s SER 569 Ca 0.62 1.33 0.08 0.00 0.48 0.00 0.00 55.95 58.46 2juh s SER 569 Cb -0.13 -2.39 -0.04 0.00 0.10 0.00 0.00 66.02 63.56 2juh s SER 569 CO 0.29 -0.05 -0.08 -1.83 0.98 0.00 0.00 173.24 172.56 2juh s GLU 570 N -2.35 2.16 -0.16 4.02 1.03 -1.26 -5.12 118.70 117.02 2juh s GLU 570 Ca 0.47 -1.15 -0.15 0.00 0.03 0.00 0.00 54.97 54.16 2juh s GLU 570 Cb -0.14 -2.25 -0.04 0.00 -0.80 0.00 0.00 34.13 30.89 2juh s GLU 570 CO 0.20 0.46 0.35 -0.51 -1.33 0.00 0.00 175.26 174.43 2juh s LEU 571 N -2.65 4.23 0.35 1.83 1.02 -1.26 -5.07 118.68 117.14 2juh s LEU 571 Ca 0.24 0.56 -0.26 0.00 0.02 0.00 0.00 54.13 54.70 2juh s LEU 571 Cb -0.10 -2.46 -0.09 0.00 0.02 0.00 0.00 46.19 43.56 2juh s LEU 571 CO 0.15 0.05 1.06 -0.94 0.02 0.00 0.00 176.35 176.69 2juh s SER 572 N 0.62 6.95 -0.37 2.29 1.04 -1.26 -4.98 113.70 117.99 2juh s SER 572 Ca 0.19 2.11 -0.29 0.00 0.48 0.00 0.00 55.95 58.44 2juh s SER 572 Cb -0.14 -2.60 0.02 0.00 0.10 0.00 0.00 66.02 63.40 2juh s SER 572 CO 0.06 -0.36 1.19 -1.10 0.98 0.00 0.00 173.24 174.01 2juh s GLN 573 N -2.10 3.87 -0.12 4.02 -0.21 -1.26 -5.02 119.66 118.84 2juh s GLN 573 Ca 0.53 0.95 -0.07 0.00 0.02 0.00 0.00 55.36 56.79 2juh s GLN 573 Cb -0.25 -3.86 -0.04 0.00 1.00 0.00 0.00 33.01 29.86 2juh s GLN 573 CO 0.32 -1.18 0.13 -0.98 -2.12 0.00 0.00 175.29 171.46 2juh s ARG 574 N 4.17 3.46 1.18 2.91 1.70 -1.26 -5.09 118.95 126.02 2juh s ARG 574 Ca 0.51 -0.16 -0.17 0.00 -0.47 0.00 0.00 55.73 55.43 2juh s ARG 574 Cb -0.12 -3.18 0.21 0.00 -0.57 0.00 0.00 34.95 31.30 2juh s ARG 574 CO 0.24 0.74 0.43 0.54 -1.08 0.00 0.00 175.30 176.17 2juh n ARG 575 N 2.11 -2.57 -1.65 3.89 3.00 -1.26 -4.79 116.66 115.39 2juh n ARG 575 Ca -0.20 -0.74 -0.50 0.00 -0.01 0.00 0.00 57.85 56.40 2juh n ARG 575 Cb 0.55 -1.78 -0.05 0.00 0.00 0.00 0.00 32.46 31.17 2juh n ARG 575 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.63 179.14 2juh n ILE 576 N -4.82 0.16 0.00 0.55 0.13 -1.26 -4.93 119.36 109.19 2juh n ILE 576 Ca 0.04 -0.03 0.00 0.00 -1.10 0.00 0.00 62.75 61.66 2juh n ILE 576 Cb 0.54 -1.32 0.00 0.00 -0.84 0.00 0.00 39.64 38.02 2juh n ILE 576 CO 0.00 0.00 0.00 -1.14 2.80 0.00 0.00 176.55 178.21 2juh n ARG 577 N 4.05 0.00 -4.44 9.51 3.00 -1.26 -5.00 116.66 122.52 2juh n ARG 577 Ca 0.20 0.39 -0.24 0.00 -0.00 0.00 0.00 57.85 58.20 2juh n ARG 577 Cb 0.23 -0.88 -0.10 0.00 0.00 0.00 0.00 32.46 31.71 2juh n ARG 577 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 2juh s ARG 578 N -0.87 1.79 0.47 -0.14 0.52 -1.26 -5.13 118.95 114.34 2juh s ARG 578 Ca 0.00 -1.72 -0.22 0.00 -0.52 0.00 0.00 55.73 53.27 2juh s ARG 578 Cb 0.00 -1.83 -0.07 0.00 0.52 0.00 0.00 34.95 33.56 2juh s ARG 578 CO 0.00 0.33 1.16 -1.25 0.02 0.00 0.00 175.30 175.56 2juh s PRO 579 N -3.54 3.71 0.47 3.54 0.04 -1.26 -4.99 135.00 132.98 2juh s PRO 579 Ca 0.30 1.75 -0.24 0.00 0.04 0.00 0.00 61.00 62.86 2juh s PRO 579 Cb -0.05 -2.36 -0.07 0.00 0.04 0.00 0.00 34.50 32.06 2juh s PRO 579 CO 0.16 -0.58 1.31 -0.59 0.04 0.00 0.00 177.00 177.33 2juh s PHE 580 N -1.57 2.59 0.66 0.56 -0.12 -1.26 -5.03 117.98 113.80 2juh s PHE 580 Ca 0.65 1.41 0.05 0.00 -0.05 0.00 0.00 56.93 58.98 2juh s PHE 580 Cb -0.28 -3.68 0.12 0.00 -0.63 0.00 0.00 43.02 38.54 2juh s PHE 580 CO 0.34 -2.36 0.90 -1.12 -0.05 0.00 0.00 175.22 172.93 2juh s SER 581 N -0.93 4.68 0.28 1.98 0.01 -1.26 -4.80 113.70 113.66 2juh s SER 581 Ca 0.64 -0.69 0.02 0.00 1.31 0.00 0.00 55.95 57.23 2juh s SER 581 Cb -0.37 0.28 0.61 0.00 0.21 0.00 0.00 66.02 66.74 2juh s SER 581 CO 0.46 -1.65 1.79 -0.37 0.41 0.00 0.00 173.24 173.88 2juh h VAL 582 N -0.19 0.78 -0.15 3.43 -1.51 -1.96 0.36 116.25 117.02 2juh h VAL 582 Ca -0.32 -0.27 -0.13 0.00 -1.23 0.00 0.00 66.70 64.75 2juh h VAL 582 Cb 1.28 -0.08 -0.01 0.00 -2.13 0.00 0.00 31.29 30.35 2juh h VAL 582 CO 0.39 0.14 -0.46 0.00 -1.23 0.00 0.00 177.57 176.42 2juh h ALA 583 N 1.58 0.94 -0.08 5.19 0.00 -2.01 -3.11 119.26 121.76 2juh h ALA 583 Ca 0.51 -0.46 -0.23 0.00 0.00 0.00 0.00 54.91 54.74 2juh h ALA 583 Cb 0.68 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.39 2juh h ALA 583 CO -0.34 0.64 -0.86 0.93 0.00 0.00 0.00 179.25 179.63 2juh h GLU 584 N 0.30 0.63 -0.75 0.00 4.39 -1.29 -3.17 114.58 114.68 2juh h GLU 584 Ca 0.02 -0.57 0.17 0.00 0.34 0.00 0.00 59.36 59.32 2juh h GLU 584 Cb 0.93 0.14 -0.05 0.00 -0.10 0.00 0.00 28.75 29.67 2juh h GLU 584 CO 0.08 1.19 0.51 0.28 -1.16 0.00 0.00 179.01 179.91 2juh h VAL 585 N 0.40 0.74 -0.90 3.13 2.07 -0.33 0.24 116.25 121.60 2juh h VAL 585 Ca -0.07 -0.10 0.25 0.00 0.82 0.00 0.00 66.70 67.60 2juh h VAL 585 Cb 1.48 0.42 -0.05 0.00 -1.52 0.00 0.00 31.29 31.62 2juh h VAL 585 CO 0.16 0.05 0.63 1.05 0.02 0.00 0.00 177.57 179.49 2juh h GLU 586 N 0.30 0.11 -0.62 1.57 4.11 -1.56 0.93 114.58 119.41 2juh h GLU 586 Ca 0.37 -0.01 -0.01 0.00 0.07 0.00 0.00 59.36 59.79 2juh h GLU 586 Cb 1.02 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.22 2juh h GLU 586 CO -0.10 0.07 0.37 0.00 0.07 0.00 0.00 179.01 179.42 2juh h ALA 587 N 1.57 0.79 -0.39 1.06 0.00 -1.14 0.25 119.26 121.41 2juh h ALA 587 Ca 0.44 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 55.22 2juh h ALA 587 Cb 1.58 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 2juh h ALA 587 CO -0.06 0.28 0.05 1.25 0.00 0.00 0.00 179.25 180.77 2juh h LEU 588 N 0.84 0.64 0.41 0.00 7.12 -0.96 -0.98 115.31 122.37 2juh h LEU 588 Ca 0.22 -0.27 -0.02 0.00 0.13 0.00 0.00 57.88 57.94 2juh h LEU 588 Cb -0.00 -0.17 0.00 0.00 -0.53 0.00 0.00 40.66 39.96 2juh h LEU 588 CO -0.04 0.75 -0.20 0.58 -0.13 0.00 0.00 178.44 179.41 2juh h VAL 589 N 0.50 0.50 -0.66 1.05 2.07 -1.24 -1.70 116.25 116.77 2juh h VAL 589 Ca 0.12 -0.52 0.14 0.00 0.82 0.00 0.00 66.70 67.26 2juh h VAL 589 Cb 0.40 0.71 -0.04 0.00 -1.52 0.00 0.00 31.29 30.84 2juh h VAL 589 CO 0.01 0.08 0.45 1.05 0.02 0.00 0.00 177.57 179.18 2juh h GLU 590 N -0.89 0.30 -0.13 1.57 4.11 -0.55 0.55 114.58 119.55 2juh h GLU 590 Ca -0.06 -0.02 -0.05 0.00 0.07 0.00 0.00 59.36 59.30 2juh h GLU 590 Cb 0.56 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.73 2juh h GLU 590 CO 0.09 0.20 -0.13 0.00 0.07 0.00 0.00 179.01 179.24 2juh h ALA 591 N 1.68 0.19 0.00 1.06 0.00 -1.08 -1.87 119.26 119.25 2juh h ALA 591 Ca 0.32 -0.32 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 2juh h ALA 591 Cb 0.81 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 2juh h ALA 591 CO -0.08 0.06 -0.42 -0.24 0.00 0.00 0.00 179.25 178.58 2juh h VAL 592 N -0.06 0.87 -0.17 0.00 3.04 -0.32 0.13 116.25 119.75 2juh h VAL 592 Ca 0.02 -1.74 -0.19 0.00 -1.01 0.00 0.00 66.70 63.78 2juh h VAL 592 Cb 0.66 2.08 0.01 0.00 -2.01 0.00 0.00 31.29 32.03 2juh h VAL 592 CO 0.03 0.41 -0.63 -0.33 -1.01 0.00 0.00 177.57 176.04 2juh h GLU 593 N 0.00 0.73 0.07 4.17 5.08 0.10 0.60 114.58 125.33 2juh h GLU 593 Ca -0.00 -0.56 -0.19 0.00 -1.00 0.00 0.00 59.36 57.61 2juh h GLU 593 Cb 1.05 0.10 -0.00 0.00 0.50 0.00 0.00 28.75 30.40 2juh h GLU 593 CO 0.05 1.17 -0.95 1.25 -1.00 0.00 0.00 179.01 179.53 2juh h HIS 594 N 0.43 0.28 0.00 4.33 2.76 -1.33 -3.34 115.15 118.28 2juh h HIS 594 Ca -0.03 -0.20 0.00 0.00 -2.20 0.00 0.00 60.37 57.94 2juh h HIS 594 Cb 1.26 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 30.21 2juh h HIS 594 CO 0.09 1.37 0.00 -0.07 -1.30 0.00 0.00 177.93 178.02 2juh h LEU 595 N -0.61 0.00 0.00 0.26 3.38 -0.86 -3.50 115.31 113.99 2juh h LEU 595 Ca -0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.76 2juh h LEU 595 Cb 1.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.23 2juh h LEU 595 CO 0.01 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.15 2juh n GLY 596 N 1.17 -0.53 1.65 0.83 0.00 0.21 -4.19 105.19 104.33 2juh n GLY 596 Ca 0.05 -1.75 -0.12 0.00 0.00 0.00 0.00 46.02 44.20 2juh n GLY 596 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2juh n THR 597 N -0.55 2.16 -0.69 2.61 -2.24 -1.22 -3.71 114.28 110.65 2juh n THR 597 Ca 0.00 -1.03 0.00 0.00 -2.27 0.00 0.00 64.05 60.75 2juh n THR 597 Cb 0.00 -0.70 0.00 0.00 -2.10 0.00 0.00 70.33 67.53 2juh n THR 597 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2juh n GLY 598 N -0.36 -0.15 2.60 3.38 0.00 -1.26 -4.92 105.19 104.48 2juh n GLY 598 Ca 0.32 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.06 2juh n GLY 598 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2juh n ARG 599 N -0.04 2.04 0.03 1.61 1.74 -1.24 -4.93 116.66 115.87 2juh n ARG 599 Ca 0.00 -4.45 -0.12 0.00 -0.77 0.00 0.00 57.85 52.51 2juh n ARG 599 Cb 0.24 -2.18 -0.08 0.00 -1.02 0.00 0.00 32.46 29.42 2juh n ARG 599 CO 0.00 0.00 0.00 -1.49 -1.52 0.00 0.00 177.63 174.62 2juh h TRP 600 N 4.71 -0.01 -0.45 -1.55 6.55 -1.91 -1.13 115.95 122.16 2juh h TRP 600 Ca 0.18 -0.00 0.08 0.00 0.95 0.00 0.00 58.89 60.10 2juh h TRP 600 Cb 0.72 0.00 -0.07 0.00 -0.86 0.00 0.00 29.16 28.95 2juh h TRP 600 CO 0.66 0.11 0.00 0.00 -1.05 0.00 0.00 178.44 178.16 2juh h ARG 601 N -0.13 0.11 -0.49 0.49 3.08 -1.94 -0.38 114.38 115.12 2juh h ARG 601 Ca -0.00 -0.01 -0.04 0.00 0.07 0.00 0.00 59.98 60.00 2juh h ARG 601 Cb 0.12 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.13 2juh h ARG 601 CO 0.00 0.07 0.14 -0.44 -1.07 0.00 0.00 179.97 178.67 2juh h ASP 602 N 0.11 0.67 0.00 7.04 5.19 -1.94 -2.19 116.42 125.30 2juh h ASP 602 Ca 0.22 -0.10 -0.05 0.00 -0.62 0.00 0.00 57.03 56.48 2juh h ASP 602 Cb 0.32 -0.17 -0.01 0.00 0.18 0.00 0.00 39.33 39.65 2juh h ASP 602 CO -0.37 0.65 -0.12 0.58 -3.12 0.00 0.00 179.24 176.85 2juh h VAL 603 N 0.71 1.18 -0.08 -1.35 2.07 0.20 0.27 116.25 119.24 2juh h VAL 603 Ca 0.16 -0.79 -0.03 0.00 0.82 0.00 0.00 66.70 66.87 2juh h VAL 603 Cb 0.23 1.19 -0.00 0.00 -1.52 0.00 0.00 31.29 31.19 2juh h VAL 603 CO -0.01 0.25 -0.06 0.50 0.02 0.00 0.00 177.57 178.27 2juh h LYS 604 N 0.24 0.18 -0.02 1.57 3.64 -0.60 0.21 116.57 121.79 2juh h LYS 604 Ca 0.05 -0.09 -0.15 0.00 -1.27 0.00 0.00 60.65 59.20 2juh h LYS 604 Cb 0.37 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.18 2juh h LYS 604 CO 0.02 0.58 -0.67 0.52 -2.27 0.00 0.00 179.45 177.63 2juh h MET 605 N -0.22 0.09 0.02 1.90 2.86 -1.32 0.24 114.93 118.49 2juh h MET 605 Ca 0.02 -0.07 -0.24 0.00 -2.06 0.00 0.00 59.70 57.34 2juh h MET 605 Cb 0.54 0.01 0.01 0.00 0.06 0.00 0.00 31.60 32.22 2juh h MET 605 CO 0.02 0.72 -0.99 -0.09 1.06 0.00 0.00 176.91 177.63 2juh h ARG 606 N 0.06 0.46 0.00 1.72 9.65 -0.46 -3.40 114.38 122.41 2juh h ARG 606 Ca -0.01 -0.51 0.00 0.00 -1.10 0.00 0.00 59.98 58.36 2juh h ARG 606 Cb 1.19 0.15 0.00 0.00 -1.39 0.00 0.00 29.97 29.92 2juh h ARG 606 CO 0.09 1.16 -0.09 0.00 2.80 0.00 0.00 179.97 183.93 2juh h ALA 607 N 0.66 0.00 -2.34 2.80 0.00 -0.55 -3.47 119.26 116.36 2juh h ALA 607 Ca -0.10 -0.26 -0.55 0.00 0.00 0.00 0.00 54.91 54.01 2juh h ALA 607 Cb 1.64 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.51 2juh h ALA 607 CO 0.18 0.09 0.86 -0.06 0.00 0.00 0.00 179.25 180.31 2juh s PHE 608 N -1.24 2.79 0.20 0.00 0.40 0.85 -4.91 117.98 116.06 2juh s PHE 608 Ca -0.03 0.80 0.00 0.00 -0.60 0.00 0.00 56.93 57.11 2juh s PHE 608 Cb 0.00 -3.66 0.12 0.00 0.51 0.00 0.00 43.02 40.00 2juh s PHE 608 CO 0.04 -2.44 1.48 0.22 0.70 0.00 0.00 175.22 175.22 2juh h ASP 609 N 8.00 0.42 -0.78 1.36 3.58 -1.82 -3.16 116.42 124.02 2juh h ASP 609 Ca -0.37 -0.26 -0.52 0.00 0.42 0.00 0.00 57.03 56.30 2juh h ASP 609 Cb 1.17 -0.12 -0.22 0.00 1.72 0.00 0.00 39.33 41.87 2juh h ASP 609 CO 0.91 0.97 0.67 -3.20 -2.88 0.00 0.00 179.24 175.72 2juh n ASN 610 N -3.86 7.16 -2.97 2.28 2.85 -1.26 -4.97 115.26 114.49 2juh n ASN 610 Ca -0.03 -3.47 0.00 0.00 -0.11 0.00 0.00 54.58 50.97 2juh n ASN 610 Cb 0.67 -1.02 0.00 0.00 1.24 0.00 0.00 39.78 40.67 2juh n ASN 610 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2juh n ALA 611 N -0.35 0.00 -2.97 5.20 0.00 -1.19 -4.41 120.51 116.79 2juh n ALA 611 Ca 0.48 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.75 2juh n ALA 611 Cb 0.62 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.11 2juh n ALA 611 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2juh n ASP 612 N -2.46 -5.21 0.00 0.00 2.03 -1.26 -4.70 116.55 104.95 2juh n ASP 612 Ca 0.00 -0.27 0.00 0.00 0.52 0.00 0.00 54.79 55.04 2juh n ASP 612 Cb 0.00 -4.00 0.00 0.00 -0.72 0.00 0.00 41.12 36.40 2juh n ASP 612 CO 0.00 0.00 0.00 1.57 -1.92 0.00 0.00 177.20 176.85 2juh n HIS 613 N -4.29 0.00 -2.58 -0.67 -0.00 -1.26 -5.14 115.22 101.27 2juh n HIS 613 Ca -0.07 0.00 -0.30 0.00 0.46 0.00 0.00 57.72 57.82 2juh n HIS 613 Cb 0.58 0.00 -0.02 0.00 -0.12 0.00 0.00 29.99 30.44 2juh n HIS 613 CO 0.00 0.00 0.00 1.03 0.46 0.00 0.00 176.34 177.83 2juh s ARG 614 N -0.98 3.70 0.67 1.57 0.52 -1.26 -5.06 118.95 118.11 2juh s ARG 614 Ca 0.00 0.49 -0.13 0.00 -0.52 0.00 0.00 55.73 55.57 2juh s ARG 614 Cb 0.00 -2.31 0.00 0.00 0.52 0.00 0.00 34.95 33.16 2juh s ARG 614 CO 0.00 -0.20 1.07 -0.08 0.02 0.00 0.00 175.30 176.11 2juh s THR 615 N -2.64 3.79 -0.18 0.02 -1.32 -1.26 -4.97 115.64 109.08 2juh s THR 615 Ca 0.52 0.68 0.17 0.00 -1.21 0.00 0.00 61.69 61.85 2juh s THR 615 Cb -0.10 -3.29 -0.00 0.00 -1.51 0.00 0.00 72.50 67.59 2juh s THR 615 CO 0.39 -0.67 1.15 0.10 -2.21 0.00 0.00 174.62 173.38 2juh h TYR 616 N -0.38 0.00 -0.31 9.09 -0.00 -1.97 -3.32 116.97 120.09 2juh h TYR 616 Ca -0.45 0.00 -0.00 0.00 0.00 0.00 0.00 58.73 58.28 2juh h TYR 616 Cb 1.22 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.93 2juh h TYR 616 CO 0.60 0.42 0.19 -0.24 -0.00 0.00 0.00 178.16 179.12 2juh h VAL 617 N 0.00 1.09 0.05 -0.90 3.04 -1.99 -2.58 116.25 114.97 2juh h VAL 617 Ca -0.07 -0.19 -0.00 0.00 -1.01 0.00 0.00 66.70 65.43 2juh h VAL 617 Cb 1.38 0.65 0.00 0.00 -2.01 0.00 0.00 31.29 31.30 2juh h VAL 617 CO 0.04 0.09 -0.03 0.44 -1.01 0.00 0.00 177.57 177.11 2juh h ASP 618 N 0.42 -0.06 0.10 3.17 3.32 -1.98 -1.96 116.42 119.43 2juh h ASP 618 Ca 0.11 -0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.10 2juh h ASP 618 Cb -0.02 0.02 -0.00 0.00 0.22 0.00 0.00 39.33 39.54 2juh h ASP 618 CO -0.02 0.01 -0.04 0.17 -1.72 0.00 0.00 179.24 177.64 2juh h LEU 619 N -0.13 0.00 -0.36 1.55 8.10 -1.66 -1.39 115.31 121.43 2juh h LEU 619 Ca -0.01 0.00 -0.19 0.00 0.11 0.00 0.00 57.88 57.79 2juh h LEU 619 Cb 0.11 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.32 2juh h LEU 619 CO 0.01 0.04 -0.80 0.50 -4.11 0.00 0.00 178.44 174.08 2juh h LYS 620 N 0.00 0.29 -0.16 0.17 3.64 -1.08 -2.47 116.57 116.96 2juh h LYS 620 Ca -0.00 -0.27 -0.17 0.00 -1.27 0.00 0.00 60.65 58.94 2juh h LYS 620 Cb 0.10 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.98 2juh h LYS 620 CO 0.00 0.95 -0.59 0.22 -2.27 0.00 0.00 179.45 177.77 2juh h ASP 621 N 0.18 0.59 -0.27 4.20 3.58 -0.55 -0.77 116.42 123.38 2juh h ASP 621 Ca -0.04 -0.33 -0.16 0.00 0.42 0.00 0.00 57.03 56.92 2juh h ASP 621 Cb 1.39 -0.17 -0.00 0.00 1.72 0.00 0.00 39.33 42.27 2juh h ASP 621 CO 0.13 1.05 -0.47 0.11 -2.88 0.00 0.00 179.24 177.18 2juh h LYS 622 N 0.40 0.79 0.01 0.28 1.57 -1.46 -2.68 116.57 115.48 2juh h LYS 622 Ca -0.00 -0.49 -0.00 0.00 -1.87 0.00 0.00 60.65 58.29 2juh h LYS 622 Cb 1.13 0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.50 2juh h LYS 622 CO 0.11 1.12 -0.01 2.35 -0.57 0.00 0.00 179.45 182.46 2juh h TRP 623 N 0.55 -0.01 -0.19 -1.35 7.01 -1.43 -2.06 115.95 118.45 2juh h TRP 623 Ca 0.02 -0.00 0.05 0.00 2.11 0.00 0.00 58.89 61.07 2juh h TRP 623 Cb 1.07 0.00 -0.07 0.00 -2.10 0.00 0.00 29.16 28.07 2juh h TRP 623 CO 0.08 0.51 -0.32 -0.22 -2.79 0.00 0.00 178.44 175.69 2juh h LYS 624 N -0.54 -0.35 -0.09 2.65 3.64 -1.21 0.03 116.57 120.70 2juh h LYS 624 Ca -0.00 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.38 2juh h LYS 624 Cb 0.53 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.42 2juh h LYS 624 CO 0.00 -0.23 -0.04 0.00 -2.27 0.00 0.00 179.45 176.91 2juh h THR 625 N -0.36 1.09 0.36 1.00 1.03 -1.55 -2.69 112.91 111.79 2juh h THR 625 Ca 0.11 -0.38 -0.02 0.00 -0.01 0.00 0.00 66.41 66.12 2juh h THR 625 Cb 0.54 1.08 0.00 0.00 -1.07 0.00 0.00 68.15 68.70 2juh h THR 625 CO -0.40 0.12 -0.19 0.25 -0.01 0.00 0.00 175.52 175.30 2juh h LEU 626 N 0.12 -0.45 0.39 0.00 6.46 -0.27 -0.93 115.31 120.64 2juh h LEU 626 Ca 0.03 0.02 -0.01 0.00 -0.12 0.00 0.00 57.88 57.80 2juh h LEU 626 Cb 0.17 0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 40.21 2juh h LEU 626 CO 0.01 -0.31 -0.26 0.58 -0.62 0.00 0.00 178.44 177.84 2juh h VAL 627 N -0.50 0.47 -0.67 1.05 2.07 -1.11 -1.83 116.25 115.72 2juh h VAL 627 Ca -0.05 0.00 0.19 0.00 0.82 0.00 0.00 66.70 67.67 2juh h VAL 627 Cb 0.39 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 30.61 2juh h VAL 627 CO 0.07 0.00 0.50 0.45 0.02 0.00 0.00 177.57 178.60 2juh h HIS 628 N -0.63 0.00 0.00 1.57 3.86 -1.46 0.32 115.15 118.82 2juh h HIS 628 Ca -0.04 0.00 -0.15 0.00 -1.16 0.00 0.00 60.37 59.03 2juh h HIS 628 Cb 0.52 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.97 2juh h HIS 628 CO -0.11 0.00 -0.69 1.15 0.86 0.00 0.00 177.93 179.14 2juh h THR 629 N 0.00 1.46 -0.30 2.45 2.02 -0.37 -2.32 112.91 115.85 2juh h THR 629 Ca 0.32 -2.40 0.06 0.00 0.77 0.00 0.00 66.41 65.16 2juh h THR 629 Cb 1.31 2.30 -0.06 0.00 -1.74 0.00 0.00 68.15 69.96 2juh h THR 629 CO -0.00 0.68 -0.06 0.00 0.37 0.00 0.00 175.52 176.50 2juh h ALA 630 N 1.31 0.21 0.00 6.16 0.00 0.32 -3.43 119.26 123.83 2juh h ALA 630 Ca -0.01 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2juh h ALA 630 Cb 1.25 0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.26 2juh h ALA 630 CO 0.09 -0.46 0.00 0.45 0.00 0.00 0.00 179.25 179.33 2juh n SER 631 N -5.24 0.00 0.00 0.00 2.88 -1.23 -5.00 113.62 105.03 2juh n SER 631 Ca -0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2juh n SER 631 Cb 0.17 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.63 2juh n SER 631 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 2juh n ILE 632 N 0.00 0.00 -4.08 2.46 -0.00 -0.88 -5.03 119.36 111.83 2juh n ILE 632 Ca 0.00 0.00 -0.34 0.00 -0.00 0.00 0.00 62.75 62.41 2juh n ILE 632 Cb 0.00 -0.33 -0.07 0.00 -0.00 0.00 0.00 39.64 39.24 2juh n ILE 632 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2juh s ALA 633 N -2.00 3.63 0.01 -1.39 0.00 -1.21 -5.03 121.76 115.77 2juh s ALA 633 Ca 0.00 -0.82 -0.23 0.00 0.00 0.00 0.00 51.96 50.91 2juh s ALA 633 Cb 0.00 -1.65 -0.17 0.00 0.00 0.00 0.00 23.12 21.29 2juh s ALA 633 CO 0.00 0.68 1.30 -1.00 0.00 0.00 0.00 175.76 176.74 2juh h PRO 634 N 4.30 0.18 0.00 0.00 0.13 -1.99 -3.07 132.00 131.55 2juh h PRO 634 Ca -0.50 -0.10 0.00 0.00 -0.87 0.00 0.00 66.00 64.53 2juh h PRO 634 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2juh h PRO 634 CO 0.62 0.62 0.00 0.00 -0.23 0.00 0.00 178.00 179.01 2juh n GLN 635 N -4.70 0.18 0.00 0.86 10.64 -1.26 -2.42 117.38 120.67 2juh n GLN 635 Ca -0.07 0.30 0.16 0.00 -1.83 0.00 0.00 57.00 55.56 2juh n GLN 635 Cb 0.31 -1.78 0.89 0.00 -0.86 0.00 0.00 30.24 28.80 2juh n GLN 635 CO 0.00 0.00 0.00 1.04 -1.83 0.00 0.00 177.06 176.27 2juh n GLN 636 N -2.09 0.96 -2.60 2.61 1.13 -1.16 -4.77 117.38 111.46 2juh n GLN 636 Ca 0.04 -0.07 -0.43 0.00 -1.94 0.00 0.00 57.00 54.60 2juh n GLN 636 Cb 0.29 -1.50 -0.02 0.00 0.11 0.00 0.00 30.24 29.12 2juh n GLN 636 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 2juh s ARG 637 N -2.09 3.94 0.27 -1.09 1.81 -1.02 -4.38 118.95 116.39 2juh s ARG 637 Ca 0.44 0.94 -0.30 0.00 -1.72 0.00 0.00 55.73 55.09 2juh s ARG 637 Cb 0.22 -3.81 -0.11 0.00 -0.45 0.00 0.00 34.95 30.79 2juh s ARG 637 CO 0.38 -1.08 1.61 0.50 -0.68 0.00 0.00 175.30 176.03 2juh s ARG 638 N 3.97 4.13 0.11 3.54 3.52 -1.26 -4.92 118.95 128.04 2juh s ARG 638 Ca 0.48 2.57 -0.32 0.00 -0.13 0.00 0.00 55.73 58.33 2juh s ARG 638 Cb -0.11 -3.04 -0.11 0.00 -1.56 0.00 0.00 34.95 30.13 2juh s ARG 638 CO 0.21 -0.65 1.58 0.78 -0.81 0.00 0.00 175.30 176.41 2juh h GLY 639 N 5.24 -0.95 -1.83 8.12 0.00 -1.96 -3.43 103.07 108.27 2juh h GLY 639 Ca -0.46 0.56 -0.52 0.00 0.00 0.00 0.00 47.33 46.91 2juh h GLY 639 CO 0.83 -0.26 -0.58 1.18 0.00 0.00 0.00 176.54 177.70 2juh n GLU 640 N -5.47 -0.49 -2.16 4.80 4.71 -1.26 -4.87 120.64 115.90 2juh n GLU 640 Ca -0.07 -0.10 -0.42 0.00 -0.01 0.00 0.00 57.16 56.55 2juh n GLU 640 Cb 0.39 -1.87 -0.03 0.00 -1.01 0.00 0.00 31.44 28.93 2juh n GLU 640 CO 0.00 0.00 0.00 -1.25 0.09 0.00 0.00 177.13 175.97 2juh s PRO 641 N -3.68 4.22 -0.14 3.49 0.04 -1.26 -5.01 135.00 132.66 2juh s PRO 641 Ca 0.57 2.01 -0.05 0.00 0.04 0.00 0.00 61.00 63.58 2juh s PRO 641 Cb -0.20 -3.79 -0.04 0.00 0.04 0.00 0.00 34.50 30.51 2juh s PRO 641 CO 0.67 -0.73 0.03 0.54 0.04 0.00 0.00 177.00 177.55 2juh s VAL 642 N 3.36 4.55 0.08 -0.36 0.11 -1.26 -4.96 120.40 121.92 2juh s VAL 642 Ca 0.66 -0.14 -0.31 0.00 -2.93 0.00 0.00 61.98 59.27 2juh s VAL 642 Cb -0.30 -2.99 -0.07 0.00 -1.53 0.00 0.00 36.38 31.49 2juh s VAL 642 CO 0.25 0.53 1.39 -2.16 -3.33 0.00 0.00 175.10 171.78 2juh s PRO 643 N -0.21 4.32 0.45 1.54 0.04 -1.26 -4.91 135.00 134.97 2juh s PRO 643 Ca 0.07 2.03 0.23 0.00 0.04 0.00 0.00 61.00 63.36 2juh s PRO 643 Cb -0.12 -3.35 1.08 0.00 0.04 0.00 0.00 34.50 32.15 2juh s PRO 643 CO 0.02 -0.47 1.92 0.37 0.04 0.00 0.00 177.00 178.88 2juh h GLN 644 N 7.11 0.00 -0.71 4.56 4.15 -1.98 -2.76 115.11 125.47 2juh h GLN 644 Ca -0.41 0.00 -0.04 0.00 0.77 0.00 0.00 58.65 58.97 2juh h GLN 644 Cb 1.20 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.86 2juh h GLN 644 CO 0.87 0.23 0.31 0.22 -1.93 0.00 0.00 178.83 178.52 2juh h ASP 645 N 0.00 0.97 0.36 -0.69 3.58 -1.98 0.26 116.42 118.92 2juh h ASP 645 Ca -0.00 -0.16 -0.20 0.00 0.42 0.00 0.00 57.03 57.09 2juh h ASP 645 Cb 0.58 -0.25 -0.00 0.00 1.72 0.00 0.00 39.33 41.37 2juh h ASP 645 CO 0.03 0.86 -0.84 -0.07 -2.88 0.00 0.00 179.24 176.34 2juh h LEU 646 N 1.01 0.45 -0.25 2.28 3.38 -1.92 -1.85 115.31 118.42 2juh h LEU 646 Ca 0.24 -0.33 -0.18 0.00 0.09 0.00 0.00 57.88 57.70 2juh h LEU 646 Cb 0.18 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.79 2juh h LEU 646 CO -0.02 1.11 -0.56 -0.07 0.09 0.00 0.00 178.44 178.99 2juh h LEU 647 N 0.22 0.92 -0.74 1.67 3.38 -1.23 -1.32 115.31 118.20 2juh h LEU 647 Ca -0.05 -0.55 -0.13 0.00 0.09 0.00 0.00 57.88 57.23 2juh h LEU 647 Cb 1.45 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.91 2juh h LEU 647 CO 0.14 1.30 -0.62 -0.78 0.09 0.00 0.00 178.44 178.57 2juh h ASP 648 N 0.57 0.02 -0.01 -0.43 3.58 -0.52 -2.67 116.42 116.96 2juh h ASP 648 Ca 0.00 -0.01 -0.02 0.00 0.42 0.00 0.00 57.03 57.41 2juh h ASP 648 Cb 1.17 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 42.21 2juh h ASP 648 CO 0.12 0.64 -0.09 0.03 -2.88 0.00 0.00 179.24 177.07 2juh h ARG 649 N 0.01 0.07 -0.41 0.28 2.47 -1.28 -2.54 114.38 112.99 2juh h ARG 649 Ca -0.01 -0.07 0.02 0.00 -1.26 0.00 0.00 59.98 58.67 2juh h ARG 649 Cb 1.11 0.02 -0.02 0.00 -1.65 0.00 0.00 29.97 29.42 2juh h ARG 649 CO 0.08 0.78 0.27 -0.24 0.56 0.00 0.00 179.97 181.42 2juh h VAL 650 N -0.61 1.06 -0.22 2.04 3.04 -1.28 -2.16 116.25 118.12 2juh h VAL 650 Ca -0.01 -0.16 -0.15 0.00 -1.01 0.00 0.00 66.70 65.36 2juh h VAL 650 Cb 0.80 0.54 0.00 0.00 -2.01 0.00 0.00 31.29 30.62 2juh h VAL 650 CO 0.02 0.09 -0.46 -0.07 -1.01 0.00 0.00 177.57 176.13 2juh h LEU 651 N 0.48 0.79 -0.41 3.16 4.07 -1.51 0.22 115.31 122.11 2juh h LEU 651 Ca 0.16 -0.55 0.07 0.00 0.08 0.00 0.00 57.88 57.64 2juh h LEU 651 Cb 0.05 -0.23 -0.06 0.00 1.08 0.00 0.00 40.66 41.51 2juh h LEU 651 CO -0.04 1.19 0.06 0.00 -1.08 0.00 0.00 178.44 178.58 2juh h ALA 652 N 0.62 0.43 -0.02 1.53 0.00 -0.94 0.21 119.26 121.08 2juh h ALA 652 Ca 0.01 0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 2juh h ALA 652 Cb 1.07 0.13 0.01 0.00 0.00 0.00 0.00 17.79 19.00 2juh h ALA 652 CO 0.10 -0.34 -0.35 0.00 0.00 0.00 0.00 179.25 178.66 2juh h ALA 653 N 1.32 0.07 -0.90 0.00 0.00 -1.51 -1.29 119.26 116.95 2juh h ALA 653 Ca 0.20 -0.48 0.12 0.00 0.00 0.00 0.00 54.91 54.75 2juh h ALA 653 Cb 0.25 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 17.97 2juh h ALA 653 CO -0.28 0.17 0.52 1.25 0.00 0.00 0.00 179.25 180.92 2juh h HIS 654 N -0.31 0.94 0.00 0.00 6.17 -0.72 0.19 115.15 121.42 2juh h HIS 654 Ca -0.04 0.03 -0.08 0.00 0.71 0.00 0.00 60.37 60.99 2juh h HIS 654 Cb 1.07 -0.29 0.01 0.00 2.52 0.00 0.00 27.41 30.72 2juh h HIS 654 CO 0.16 0.34 -0.33 0.00 0.71 0.00 0.00 177.93 178.80 2juh h ALA 655 N 1.52 0.04 -0.27 5.26 0.00 -0.64 -1.40 119.26 123.78 2juh h ALA 655 Ca 0.46 -0.50 0.05 0.00 0.00 0.00 0.00 54.91 54.92 2juh h ALA 655 Cb 0.51 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 2juh h ALA 655 CO -0.29 0.15 -0.02 -0.92 0.00 0.00 0.00 179.25 178.17 2juh h TYR 656 N -0.43 -0.04 -0.24 0.00 3.20 -0.77 -2.16 116.97 116.53 2juh h TYR 656 Ca -0.04 0.02 -0.15 0.00 3.14 0.00 0.00 58.73 61.70 2juh h TYR 656 Cb 1.09 0.06 -0.01 0.00 1.54 0.00 0.00 36.73 39.41 2juh h TYR 656 CO 0.18 -0.06 -0.46 -1.49 -1.64 0.00 0.00 178.16 174.68 2juh h TRP 657 N 0.06 0.76 -0.79 -3.82 4.06 -0.74 -3.02 115.95 112.45 2juh h TRP 657 Ca 0.13 -0.24 0.15 0.00 2.06 0.00 0.00 58.89 60.99 2juh h TRP 657 Cb 0.17 -0.15 -0.05 0.00 -1.00 0.00 0.00 29.16 28.12 2juh h TRP 657 CO -0.22 0.97 0.52 1.03 -3.56 0.00 0.00 178.44 177.19 2juh h SER 658 N 0.50 0.44 -0.12 -3.49 0.87 -0.65 0.20 113.55 111.30 2juh h SER 658 Ca 0.03 0.03 0.04 0.00 -1.23 0.00 0.00 61.79 60.65 2juh h SER 658 Cb 1.00 -0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 62.89 2juh h SER 658 CO 0.09 0.22 0.15 -0.61 -0.53 0.00 0.00 176.83 176.16 2juh h GLN 659 N 0.46 0.00 -1.50 2.24 4.15 -1.27 -2.22 115.11 116.96 2juh h GLN 659 Ca 0.39 0.00 -0.57 0.00 0.77 0.00 0.00 58.65 59.24 2juh h GLN 659 Cb 0.85 0.00 -0.42 0.00 0.21 0.00 0.00 27.48 28.12 2juh h GLN 659 CO -0.14 0.00 -0.77 1.04 -1.93 0.00 0.00 178.83 177.03 2juh n GLN 660 N -3.70 3.19 -3.91 1.69 6.02 0.71 -5.04 117.38 116.34 2juh n GLN 660 Ca 0.00 -4.40 -0.09 0.00 -0.01 0.00 0.00 57.00 52.50 2juh n GLN 660 Cb 0.26 -2.15 -0.05 0.00 1.02 0.00 0.00 30.24 29.32 2juh n GLN 660 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 2juh s GLN 661 N -3.49 1.45 0.66 -1.09 0.74 -0.84 -5.04 119.66 112.05 2juh s GLN 661 Ca 0.46 -1.11 0.03 0.00 0.05 0.00 0.00 55.36 54.79 2juh s GLN 661 Cb 0.40 0.48 0.11 0.00 1.10 0.00 0.00 33.01 35.10 2juh s GLN 661 CO -0.17 -0.60 0.91 0.20 -0.55 0.00 0.00 175.29 175.08 2juh s GLY 662 N -2.96 1.76 0.27 2.59 0.00 -1.26 -4.98 107.32 102.73 2juh s GLY 662 Ca 0.17 -1.83 -0.11 0.00 0.00 0.00 0.00 44.72 42.95 2juh s GLY 662 CO 0.04 -1.33 0.48 0.54 0.00 0.00 0.00 173.10 172.84 2juh s LYS 663 N -4.95 1.64 0.00 2.90 1.02 -1.26 -5.10 119.74 113.98 2juh s LYS 663 Ca 0.64 -1.36 0.00 0.00 0.02 0.00 0.00 55.97 55.27 2juh s LYS 663 Cb -0.06 0.47 0.00 0.00 -0.52 0.00 0.00 37.83 37.72 2juh s LYS 663 CO 0.42 -0.68 0.00 0.94 -0.92 0.00 0.00 175.35 175.11 2juh n GLN 664 N -0.42 0.00 -3.80 1.68 7.27 -1.26 -5.05 117.38 115.80 2juh n GLN 664 Ca -0.01 0.07 -0.13 0.00 0.07 0.00 0.00 57.00 57.00 2juh n GLN 664 Cb 0.62 -0.49 -0.14 0.00 2.41 0.00 0.00 30.24 32.65 2juh n GLN 664 CO 0.00 0.00 0.00 -1.58 0.07 0.00 0.00 177.06 175.55 2juh s HIS 665 N -0.79 -0.13 0.45 3.69 5.04 -1.26 -5.17 115.29 117.12 2juh s HIS 665 Ca 0.00 0.35 0.03 0.00 -1.54 0.00 0.00 55.06 53.91 2juh s HIS 665 Cb 0.00 -0.01 -0.01 0.00 0.04 0.00 0.00 32.58 32.59 2juh s HIS 665 CO 0.00 -0.10 0.12 0.14 -2.34 0.00 0.00 174.74 172.57 2juh s VAL 666 N 0.47 0.58 0.71 0.89 -7.23 -1.26 -5.15 120.40 109.41 2juh s VAL 666 Ca -0.03 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 58.03 2juh s VAL 666 Cb -0.05 -2.22 0.01 0.00 0.56 0.00 0.00 36.38 34.69 2juh s VAL 666 CO -0.02 0.00 1.06 -1.61 -0.31 0.00 0.00 175.10 174.22 2juh s GLU 667 N -3.69 2.84 0.67 4.82 2.02 -1.26 -5.03 118.70 119.07 2juh s GLU 667 Ca 0.18 0.92 -0.14 0.00 0.02 0.00 0.00 54.97 55.95 2juh s GLU 667 Cb 0.01 -1.98 0.01 0.00 0.10 0.00 0.00 34.13 32.26 2juh s GLU 667 CO 0.12 -1.16 1.11 -1.25 0.02 0.00 0.00 175.26 174.10 2juh s PRO 668 N -5.06 2.74 0.06 0.39 0.04 -1.26 -5.06 135.00 126.86 2juh s PRO 668 Ca 0.58 1.37 0.06 0.00 0.04 0.00 0.00 61.00 63.05 2juh s PRO 668 Cb -0.14 -1.94 -0.04 0.00 0.04 0.00 0.00 34.50 32.42 2juh s PRO 668 CO 0.55 -1.29 -0.10 -1.17 0.04 0.00 0.00 177.00 175.03 2juh s LEU 669 N -4.98 3.01 -0.32 -3.56 2.96 -1.26 -5.11 118.68 109.43 2juh s LEU 669 Ca 0.66 -0.32 -0.13 0.00 -0.22 0.00 0.00 54.13 54.13 2juh s LEU 669 Cb -0.20 -1.78 -0.03 0.00 0.50 0.00 0.00 46.19 44.68 2juh s LEU 669 CO 0.43 0.22 0.26 -0.75 -1.32 0.00 0.00 176.35 175.19 2juh s LYS 670 N -1.84 3.68 0.05 1.98 2.47 -1.26 -5.08 119.74 119.75 2juh s LYS 670 Ca 0.19 -0.46 0.06 0.00 -1.56 0.00 0.00 55.97 54.20 2juh s LYS 670 Cb -0.11 -3.75 -0.04 0.00 -1.46 0.00 0.00 37.83 32.47 2juh s LYS 670 CO 0.10 -0.37 -0.12 -1.50 0.16 0.00 0.00 175.35 173.62 2juh s ILE 671 N 1.82 3.23 -0.15 5.43 2.07 -1.26 -5.11 121.20 127.23 2juh s ILE 671 Ca 0.08 -1.11 -0.19 0.00 -1.41 0.00 0.00 60.65 58.02 2juh s ILE 671 Cb -0.17 -2.43 -0.04 0.00 0.13 0.00 0.00 42.46 39.96 2juh s ILE 671 CO 0.11 0.27 0.53 -0.76 -1.91 0.00 0.00 174.94 173.18 2juh s LEU 672 N -1.71 4.22 -0.25 8.50 1.02 -1.26 -5.06 118.68 124.14 2juh s LEU 672 Ca 0.18 0.81 -0.08 0.00 0.02 0.00 0.00 54.13 55.06 2juh s LEU 672 Cb -0.11 -2.76 -0.03 0.00 0.02 0.00 0.00 46.19 43.31 2juh s LEU 672 CO 0.09 -0.10 0.08 -0.62 0.02 0.00 0.00 176.35 175.82 2juh s ASP 673 N 0.88 5.22 0.33 2.29 2.15 -1.26 -5.10 116.67 121.18 2juh s ASP 673 Ca 0.27 -0.19 -0.01 0.00 0.43 0.00 0.00 52.55 53.06 2juh s ASP 673 Cb -0.16 -1.94 -0.04 0.00 -0.30 0.00 0.00 42.92 40.49 2juh s ASP 673 CO 0.11 -0.03 0.54 0.00 -0.17 0.00 0.00 175.17 175.61 2juh s ALA 674 N 1.61 3.69 -0.26 3.66 0.00 -1.26 -5.09 121.76 124.11 2juh s ALA 674 Ca 0.06 -0.84 0.01 0.00 0.00 0.00 0.00 51.96 51.19 2juh s ALA 674 Cb -0.15 -2.14 0.07 0.00 0.00 0.00 0.00 23.12 20.91 2juh s ALA 674 CO 0.04 0.06 -0.00 0.15 0.00 0.00 0.00 175.76 176.01 2juh s LYS 675 N -4.10 1.36 0.08 0.00 1.02 -1.26 -5.11 119.74 111.72 2juh s LYS 675 Ca 0.41 -1.10 -0.30 0.00 0.02 0.00 0.00 55.97 54.99 2juh s LYS 675 Cb -0.10 -2.53 -0.05 0.00 -0.52 0.00 0.00 37.83 34.62 2juh s LYS 675 CO 0.35 -0.73 1.08 0.00 -0.92 0.00 0.00 175.35 175.13 2juh s ALA 676 N 1.40 3.30 0.42 5.17 0.00 -1.26 -5.01 121.76 125.78 2juh s ALA 676 Ca 0.00 0.72 -0.24 0.00 0.00 0.00 0.00 51.96 52.44 2juh s ALA 676 Cb -0.18 -3.37 -0.08 0.00 0.00 0.00 0.00 23.12 19.48 2juh s ALA 676 CO -0.10 -0.27 1.15 -1.14 0.00 0.00 0.00 175.76 175.40 2juh s GLN 677 N 0.55 3.97 0.51 0.00 2.00 -1.26 -5.05 119.66 120.37 2juh s GLN 677 Ca 0.53 1.77 0.06 0.00 -2.00 0.00 0.00 55.36 55.72 2juh s GLN 677 Cb -0.26 -2.56 0.02 0.00 0.80 0.00 0.00 33.01 31.00 2juh s GLN 677 CO 0.30 -0.38 0.37 -1.59 -0.50 0.00 0.00 175.29 173.50 2juh s LYS 678 N -2.46 2.29 -0.07 1.67 -2.85 -1.26 -5.14 119.74 111.92 2juh s LYS 678 Ca 0.59 -1.93 0.04 0.00 -1.00 0.00 0.00 55.97 53.68 2juh s LYS 678 Cb -0.29 -2.13 -0.00 0.00 -2.06 0.00 0.00 37.83 33.36 2juh s LYS 678 CO 0.36 -0.49 -0.20 0.08 0.10 0.00 0.00 175.35 175.20 2juh s VAL 679 N -2.71 1.67 -0.87 1.79 1.01 -1.26 -5.07 120.40 114.97 2juh s VAL 679 Ca 0.37 -0.82 0.00 0.00 0.00 0.00 0.00 61.98 61.53 2juh s VAL 679 Cb -0.02 -1.45 0.26 0.00 0.00 0.00 0.00 36.38 35.18 2juh s VAL 679 CO 0.22 0.47 1.01 0.61 0.00 0.00 0.00 175.10 177.41 2juh n GLY 680 N 3.36 4.72 3.46 4.51 0.00 -1.26 -5.37 105.19 114.62 2juh n GLY 680 Ca -0.19 -2.69 0.00 0.00 0.00 0.00 0.00 46.02 43.14 2juh n GLY 680 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32