#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h5p n ASP 595 N 0.00 -8.60 0.00 7.83 8.00 -1.26 -5.01 116.55 117.51 1h5p n ASP 595 Ca 0.00 0.60 0.00 0.00 0.71 0.00 0.00 54.79 56.10 1h5p n ASP 595 Cb 0.00 -4.40 0.00 0.00 -0.02 0.00 0.00 41.12 36.70 1h5p n ASP 595 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1h5p n GLU 596 N -4.25 0.00 -0.00 -1.24 -0.58 -1.26 -5.03 120.64 108.29 1h5p n GLU 596 Ca 0.01 0.00 0.01 0.00 -0.42 0.00 0.00 57.16 56.76 1h5p n GLU 596 Cb 0.67 0.00 -0.01 0.00 -0.57 0.00 0.00 31.44 31.52 1h5p n GLU 596 CO 0.00 0.00 0.00 0.27 -0.48 0.00 0.00 177.13 176.92 1h5p n ASN 597 N 0.00 2.18 -4.36 1.62 6.94 -1.26 -4.91 115.26 115.47 1h5p n ASN 597 Ca 0.00 -0.29 -0.46 0.00 -0.02 0.00 0.00 54.58 53.81 1h5p n ASN 597 Cb 0.00 1.05 -0.03 0.00 -2.36 0.00 0.00 39.78 38.44 1h5p n ASN 597 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 1h5p s ILE 598 N -1.65 5.16 -0.15 1.53 -1.09 -1.26 -5.03 121.20 118.71 1h5p s ILE 598 Ca 0.00 -1.74 -0.24 0.00 -2.23 0.00 0.00 60.65 56.44 1h5p s ILE 598 Cb 0.02 -4.51 -0.02 0.00 -1.58 0.00 0.00 42.46 36.36 1h5p s ILE 598 CO 0.09 -1.12 0.77 0.21 -1.23 0.00 0.00 174.94 173.65 1h5p s ASN 599 N 3.07 6.91 0.00 3.58 3.84 -1.26 -4.93 114.94 126.15 1h5p s ASN 599 Ca 0.17 1.11 0.28 0.00 0.21 0.00 0.00 52.86 54.63 1h5p s ASN 599 Cb -0.16 -2.43 1.08 0.00 -0.55 0.00 0.00 41.25 39.19 1h5p s ASN 599 CO -0.03 -0.32 1.76 2.22 -2.79 0.00 0.00 177.10 177.94 1h5p n PHE 600 N 4.91 0.00 1.17 0.43 -1.74 -1.26 -3.88 117.46 117.09 1h5p n PHE 600 Ca 0.02 0.00 0.10 0.00 -0.56 0.00 0.00 57.45 57.01 1h5p n PHE 600 Cb 0.49 -0.04 0.56 0.00 1.52 0.00 0.00 39.48 42.02 1h5p n PHE 600 CO 0.00 0.00 0.00 1.63 -0.56 0.00 0.00 176.76 177.83 1h5p n LYS 601 N -0.19 0.56 -0.08 3.97 4.76 -1.26 -2.47 118.16 123.45 1h5p n LYS 601 Ca 0.18 0.02 0.10 0.00 -2.87 0.00 0.00 58.31 55.74 1h5p n LYS 601 Cb 0.33 -1.50 0.37 0.00 -1.84 0.00 0.00 35.03 32.38 1h5p n LYS 601 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 1h5p n GLN 602 N -1.04 1.72 0.00 1.97 1.13 -1.25 -4.90 117.38 115.01 1h5p n GLN 602 Ca 0.14 -1.09 0.00 0.00 -1.94 0.00 0.00 57.00 54.11 1h5p n GLN 602 Cb 0.08 -1.39 0.00 0.00 0.11 0.00 0.00 30.24 29.04 1h5p n GLN 602 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 1h5p n SER 603 N 0.32 0.00 -3.85 1.08 7.64 -1.03 -4.88 113.62 112.90 1h5p n SER 603 Ca 0.16 0.00 -0.26 0.00 1.01 0.00 0.00 58.87 59.78 1h5p n SER 603 Cb 0.32 -0.44 -0.17 0.00 -1.01 0.00 0.00 64.21 62.92 1h5p n SER 603 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1h5p s GLU 604 N 0.00 1.18 -0.19 1.43 2.02 -1.26 -2.09 118.70 119.80 1h5p s GLU 604 Ca 0.00 -0.25 -0.05 0.00 0.02 0.00 0.00 54.97 54.69 1h5p s GLU 604 Cb 0.00 -1.59 -0.03 0.00 0.10 0.00 0.00 34.13 32.61 1h5p s GLU 604 CO 0.00 -0.36 0.00 -1.17 0.02 0.00 0.00 175.26 173.76 1h5p s LEU 605 N 1.77 3.34 0.02 1.80 2.96 -0.33 -4.90 118.68 123.35 1h5p s LEU 605 Ca 0.03 -0.15 -0.30 0.00 -0.22 0.00 0.00 54.13 53.49 1h5p s LEU 605 Cb -0.14 -1.84 -0.06 0.00 0.50 0.00 0.00 46.19 44.65 1h5p s LEU 605 CO -0.07 0.10 1.44 -2.16 -1.32 0.00 0.00 176.35 174.34 1h5p s PRO 606 N 0.79 4.27 0.21 0.98 0.04 -1.26 -0.84 135.00 139.18 1h5p s PRO 606 Ca 0.01 2.03 0.11 0.00 0.04 0.00 0.00 61.00 63.19 1h5p s PRO 606 Cb -0.14 -3.56 -0.05 0.00 0.04 0.00 0.00 34.50 30.79 1h5p s PRO 606 CO 0.02 -0.60 -0.21 0.14 0.04 0.00 0.00 177.00 176.40 1h5p s VAL 607 N 2.37 2.52 -0.27 -0.36 -7.23 -0.60 -1.01 120.40 115.83 1h5p s VAL 607 Ca 0.66 -2.06 -0.02 0.00 -1.81 0.00 0.00 61.98 58.75 1h5p s VAL 607 Cb -0.33 -2.24 0.12 0.00 0.56 0.00 0.00 36.38 34.49 1h5p s VAL 607 CO 0.28 -0.18 0.27 0.42 -0.31 0.00 0.00 175.10 175.57 1h5p s THR 608 N -1.87 -0.37 -0.49 5.32 -4.23 0.37 -0.38 115.64 113.98 1h5p s THR 608 Ca 0.24 -0.39 -0.12 0.00 -1.18 0.00 0.00 61.69 60.24 1h5p s THR 608 Cb -0.07 -0.90 0.12 0.00 1.34 0.00 0.00 72.50 72.99 1h5p s THR 608 CO 0.12 -0.40 0.40 0.00 -0.54 0.00 0.00 174.62 174.20 1h5p n GLY 610 N 5.03 -0.72 3.64 0.00 0.00 -1.24 -0.87 105.19 111.03 1h5p n GLY 610 Ca -0.10 0.34 0.00 0.00 0.00 0.00 0.00 46.02 46.25 1h5p n GLY 610 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1h5p n GLU 611 N -3.91 0.00 -2.77 1.61 2.13 -1.26 -4.84 120.64 111.59 1h5p n GLU 611 Ca -0.18 0.00 -0.44 0.00 0.66 0.00 0.00 57.16 57.20 1h5p n GLU 611 Cb 0.64 -2.91 0.00 0.00 0.27 0.00 0.00 31.44 29.45 1h5p n GLU 611 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1h5p n VAL 612 N -2.00 4.32 -0.59 6.31 0.31 -0.05 -5.01 118.33 121.62 1h5p n VAL 612 Ca 0.00 -4.67 -0.30 0.00 -0.01 0.00 0.00 64.34 59.36 1h5p n VAL 612 Cb 0.00 -2.43 0.21 0.00 -0.91 0.00 0.00 33.84 30.71 1h5p n VAL 612 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1h5p n LYS 613 N 4.90 -1.62 -3.71 5.55 4.81 -1.26 -1.86 118.16 124.97 1h5p n LYS 613 Ca 0.37 -0.44 -0.00 0.00 -0.87 0.00 0.00 58.31 57.37 1h5p n LYS 613 Cb 0.40 -2.09 -0.01 0.00 0.02 0.00 0.00 35.03 33.36 1h5p n LYS 613 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 1h5p s GLY 614 N -2.30 -0.30 -0.26 3.14 0.00 0.49 -4.75 107.32 103.35 1h5p s GLY 614 Ca 0.64 0.38 -0.05 0.00 0.00 0.00 0.00 44.72 45.70 1h5p s GLY 614 CO 0.64 0.54 0.01 -0.51 0.00 0.00 0.00 173.10 173.78 1h5p s THR 615 N -2.69 3.57 -0.10 0.90 -4.23 -1.01 -1.56 115.64 110.52 1h5p s THR 615 Ca 0.15 -0.66 -0.19 0.00 -1.18 0.00 0.00 61.69 59.81 1h5p s THR 615 Cb 0.02 -2.76 -0.04 0.00 1.34 0.00 0.00 72.50 71.06 1h5p s THR 615 CO -0.01 0.23 0.51 -0.22 -0.54 0.00 0.00 174.62 174.59 1h5p s LEU 616 N 1.46 4.30 -0.20 4.79 0.20 -0.02 -0.85 118.68 128.36 1h5p s LEU 616 Ca 0.03 0.88 -0.13 0.00 0.69 0.00 0.00 54.13 55.61 1h5p s LEU 616 Cb -0.16 -2.75 -0.05 0.00 -0.43 0.00 0.00 46.19 42.81 1h5p s LEU 616 CO -0.01 0.00 0.27 -0.31 -0.29 0.00 0.00 176.35 176.02 1h5p s TYR 617 N 0.54 3.39 0.31 5.38 1.51 0.92 -1.18 117.35 128.22 1h5p s TYR 617 Ca 0.28 0.48 0.06 0.00 -1.01 0.00 0.00 57.07 56.88 1h5p s TYR 617 Cb -0.16 -2.36 0.52 0.00 -0.11 0.00 0.00 41.96 39.86 1h5p s TYR 617 CO 0.12 0.13 1.76 0.87 -1.11 0.00 0.00 175.55 177.31 1h5p h LYS 618 N 7.09 0.29 -0.03 -0.62 1.79 -1.77 0.13 116.57 123.45 1h5p h LYS 618 Ca -0.39 -0.11 0.01 0.00 -2.18 0.00 0.00 60.65 57.98 1h5p h LYS 618 Cb 1.16 -0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 31.80 1h5p h LYS 618 CO 0.72 0.58 0.27 1.05 -1.08 0.00 0.00 179.45 180.98 1h5p h GLU 619 N 0.26 0.00 0.00 3.15 4.11 -1.94 -1.98 114.58 118.18 1h5p h GLU 619 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.46 1h5p h GLU 619 Cb 0.68 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.93 1h5p h GLU 619 CO 0.05 0.00 -1.00 0.54 0.07 0.00 0.00 179.01 178.67 1h5p n ARG 620 N -3.02 0.90 0.17 1.06 1.74 -1.03 -4.66 116.66 111.83 1h5p n ARG 620 Ca -0.01 0.00 0.19 0.00 -0.77 0.00 0.00 57.85 57.25 1h5p n ARG 620 Cb 0.33 -1.00 0.77 0.00 -1.02 0.00 0.00 32.46 31.54 1h5p n ARG 620 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 1h5p h PHE 621 N 0.00 0.00 0.00 -1.55 3.57 0.06 0.65 116.94 119.67 1h5p h PHE 621 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1h5p h PHE 621 Cb 0.22 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.96 1h5p h PHE 621 CO 0.00 0.00 0.00 0.36 -2.23 0.00 0.00 178.31 176.44 1h5p n LYS 622 N -3.46 0.13 -0.00 1.11 2.85 -1.20 -1.36 118.16 116.23 1h5p n LYS 622 Ca 0.04 0.63 0.02 0.00 -1.05 0.00 0.00 58.31 57.96 1h5p n LYS 622 Cb 0.53 -1.95 -0.03 0.00 -0.65 0.00 0.00 35.03 32.94 1h5p n LYS 622 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 1h5p n GLN 623 N -2.23 2.47 0.00 -1.58 1.13 0.21 -4.87 117.38 112.52 1h5p n GLN 623 Ca -0.01 -0.02 0.00 0.00 -1.94 0.00 0.00 57.00 55.02 1h5p n GLN 623 Cb 0.04 -0.93 0.00 0.00 0.11 0.00 0.00 30.24 29.45 1h5p n GLN 623 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1h5p n GLY 624 N 1.75 3.55 0.00 1.08 0.00 -0.47 -1.81 105.19 109.29 1h5p n GLY 624 Ca -0.00 0.23 0.02 0.00 0.00 0.00 0.00 46.02 46.27 1h5p n GLY 624 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1h5p n THR 625 N 0.00 0.00 0.51 2.61 5.66 -1.26 -1.78 114.28 120.02 1h5p n THR 625 Ca 0.00 0.00 0.07 0.00 -3.05 0.00 0.00 64.05 61.07 1h5p n THR 625 Cb 0.00 -0.43 0.08 0.00 -1.55 0.00 0.00 70.33 68.43 1h5p n THR 625 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1h5p n SER 626 N -0.63 2.37 -3.66 1.09 2.88 -0.75 -4.78 113.62 110.15 1h5p n SER 626 Ca 0.02 -1.67 -0.05 0.00 -1.33 0.00 0.00 58.87 55.84 1h5p n SER 626 Cb 0.01 -0.04 -0.07 0.00 -0.75 0.00 0.00 64.21 63.36 1h5p n SER 626 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1h5p s LYS 627 N -1.21 0.49 -0.38 -1.46 -0.14 -0.73 -4.99 119.74 111.31 1h5p s LYS 627 Ca 0.19 1.23 -0.28 0.00 -1.36 0.00 0.00 55.97 55.75 1h5p s LYS 627 Cb 0.13 0.52 -0.02 0.00 -1.68 0.00 0.00 37.83 36.79 1h5p s LYS 627 CO 0.19 -0.21 1.78 0.15 -0.76 0.00 0.00 175.35 176.50 1h5p s LYS 628 N 2.52 3.23 0.00 1.68 1.02 -1.26 -4.62 119.74 122.31 1h5p s LYS 628 Ca -0.05 1.25 0.00 0.00 0.02 0.00 0.00 55.97 57.19 1h5p s LYS 628 Cb -0.11 -4.22 0.00 0.00 -0.52 0.00 0.00 37.83 32.98 1h5p s LYS 628 CO -0.16 -1.99 0.62 0.00 -0.92 0.00 0.00 175.35 172.89 1h5p s ILE 630 N -0.31 5.25 -0.25 0.00 1.01 -1.19 -0.06 121.20 125.65 1h5p s ILE 630 Ca 0.00 -0.55 -0.18 0.00 0.00 0.00 0.00 60.65 59.92 1h5p s ILE 630 Cb 0.00 -3.91 -0.03 0.00 0.01 0.00 0.00 42.46 38.53 1h5p s ILE 630 CO 0.00 -0.27 0.50 -1.58 0.00 0.00 0.00 174.94 173.58 1h5p s GLN 631 N 1.74 4.09 0.58 2.79 0.74 -0.03 -0.42 119.66 129.14 1h5p s GLN 631 Ca 0.06 0.31 0.00 0.00 0.05 0.00 0.00 55.36 55.78 1h5p s GLN 631 Cb -0.19 -3.63 0.04 0.00 1.10 0.00 0.00 33.01 30.33 1h5p s GLN 631 CO 0.10 -0.30 0.82 -1.54 -0.55 0.00 0.00 175.29 173.83 1h5p s SER 632 N 1.47 5.16 0.34 6.67 1.04 -0.11 -2.40 113.70 125.86 1h5p s SER 632 Ca 0.21 0.03 0.20 0.00 0.48 0.00 0.00 55.95 56.87 1h5p s SER 632 Cb -0.16 -0.85 1.10 0.00 0.10 0.00 0.00 66.02 66.22 1h5p s SER 632 CO 0.09 -1.25 1.59 -0.33 0.98 0.00 0.00 173.24 174.33 1h5p h GLU 633 N -0.05 0.00 -0.60 4.02 3.07 -1.89 -0.06 114.58 119.07 1h5p h GLU 633 Ca -0.42 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.44 1h5p h GLU 633 Cb 1.30 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.21 1h5p h GLU 633 CO 0.52 0.00 0.00 -0.25 -1.40 0.00 0.00 179.01 177.88 1h5p n ASP 634 N -2.24 1.38 -3.80 1.42 9.92 -1.26 -4.87 116.55 117.10 1h5p n ASP 634 Ca -0.01 -2.10 -0.23 0.00 -0.53 0.00 0.00 54.79 51.92 1h5p n ASP 634 Cb 0.12 -0.35 0.01 0.00 -0.64 0.00 0.00 41.12 40.26 1h5p n ASP 634 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 1h5p n LYS 635 N 0.02 -4.37 -3.75 -1.24 3.00 -0.04 -4.98 118.16 106.81 1h5p n LYS 635 Ca 0.05 0.54 -0.13 0.00 -0.00 0.00 0.00 58.31 58.77 1h5p n LYS 635 Cb 0.29 -4.97 -0.09 0.00 0.00 0.00 0.00 35.03 30.27 1h5p n LYS 635 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 1h5p s LYS 636 N -6.20 0.61 -0.04 1.64 2.47 -1.24 -4.98 119.74 112.00 1h5p s LYS 636 Ca 0.03 0.06 -0.14 0.00 -1.56 0.00 0.00 55.97 54.36 1h5p s LYS 636 Cb -0.01 0.28 -0.05 0.00 -1.46 0.00 0.00 37.83 36.58 1h5p s LYS 636 CO 0.84 -0.15 0.37 -1.58 0.16 0.00 0.00 175.35 174.99 1h5p s TRP 637 N -0.82 3.67 0.13 4.03 0.51 -1.26 -0.93 118.94 124.26 1h5p s TRP 637 Ca -0.09 0.89 0.07 0.00 -2.12 0.00 0.00 56.10 54.86 1h5p s TRP 637 Cb -0.04 -2.28 -0.04 0.00 -0.81 0.00 0.00 33.47 30.31 1h5p s TRP 637 CO 0.03 0.58 -0.17 -0.06 -0.51 0.00 0.00 176.95 176.82 1h5p s PHE 638 N -0.78 1.65 0.33 -1.98 0.08 0.44 -4.93 117.98 112.79 1h5p s PHE 638 Ca 0.22 -0.48 -0.08 0.00 0.12 0.00 0.00 56.93 56.71 1h5p s PHE 638 Cb -0.16 -0.86 -0.06 0.00 -0.57 0.00 0.00 43.02 41.38 1h5p s PHE 638 CO 0.11 0.23 0.65 0.95 -0.10 0.00 0.00 175.22 177.06 1h5p s THR 639 N -1.82 4.90 0.65 0.64 -4.23 -1.26 -3.19 115.64 111.33 1h5p s THR 639 Ca 0.10 0.37 0.14 0.00 -1.18 0.00 0.00 61.69 61.12 1h5p s THR 639 Cb -0.07 -3.71 0.16 0.00 1.34 0.00 0.00 72.50 70.22 1h5p s THR 639 CO 0.05 -0.36 1.34 -0.65 -0.54 0.00 0.00 174.62 174.45 1h5p h PRO 640 N 1.64 0.00 0.00 3.99 0.11 -1.86 0.34 132.00 136.22 1h5p h PRO 640 Ca -0.47 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.45 1h5p h PRO 640 Cb 1.19 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.27 1h5p h PRO 640 CO 0.65 0.00 -1.15 -2.13 -0.21 0.00 0.00 178.00 175.16 1h5p n ARG 641 N -2.80 0.54 0.28 1.05 3.00 -1.26 -3.04 116.66 114.43 1h5p n ARG 641 Ca 0.04 0.55 0.15 0.00 -0.00 0.00 0.00 57.85 58.59 1h5p n ARG 641 Cb 0.91 -1.72 0.85 0.00 0.00 0.00 0.00 32.46 32.49 1h5p n ARG 641 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 1h5p h GLU 642 N -1.00 0.00 0.15 -0.14 5.08 -1.23 -1.29 114.58 116.15 1h5p h GLU 642 Ca -0.29 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 57.78 1h5p h GLU 642 Cb 1.14 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.41 1h5p h GLU 642 CO -0.17 0.06 -1.27 0.35 -1.00 0.00 0.00 179.01 176.97 1h5p h PHE 643 N 0.00 0.73 -0.17 4.33 3.57 -0.62 -3.12 116.94 121.65 1h5p h PHE 643 Ca -0.00 -0.50 -0.01 0.00 3.53 0.00 0.00 57.97 60.99 1h5p h PHE 643 Cb 0.18 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.87 1h5p h PHE 643 CO 0.00 1.37 0.07 1.49 -2.23 0.00 0.00 178.31 179.02 1h5p h GLU 644 N 0.15 0.23 -0.37 1.11 4.81 -1.17 0.14 114.58 119.47 1h5p h GLU 644 Ca -0.17 -0.02 -0.15 0.00 -0.13 0.00 0.00 59.36 58.89 1h5p h GLU 644 Cb 1.97 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 31.30 1h5p h GLU 644 CO 0.23 0.19 -0.34 0.82 -0.73 0.00 0.00 179.01 179.17 1h5p h ILE 645 N 0.23 1.28 0.01 2.32 2.04 -1.42 0.20 117.51 122.17 1h5p h ILE 645 Ca 0.06 -1.51 -0.20 0.00 1.00 0.00 0.00 64.86 64.21 1h5p h ILE 645 Cb 0.04 1.40 -0.02 0.00 -0.74 0.00 0.00 36.82 37.50 1h5p h ILE 645 CO -0.01 0.50 -0.95 -0.08 0.00 0.00 0.00 178.15 177.62 1h5p h GLU 646 N 0.69 0.07 0.04 2.37 4.57 -1.29 -2.61 114.58 118.42 1h5p h GLU 646 Ca 0.06 -0.09 -0.14 0.00 -1.18 0.00 0.00 59.36 58.01 1h5p h GLU 646 Cb 0.93 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.54 1h5p h GLU 646 CO 0.09 0.96 -0.72 0.78 -1.18 0.00 0.00 179.01 178.93 1h5p h GLY 647 N 2.45 0.11 0.00 1.92 0.00 -0.76 -3.44 103.07 103.34 1h5p h GLY 647 Ca -0.03 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.03 1h5p h GLY 647 CO 0.13 0.24 0.00 1.34 0.00 0.00 0.00 176.54 178.25 1h5p n ASP 648 N -4.36 0.00 0.00 0.19 -0.08 0.69 -4.51 116.55 108.48 1h5p n ASP 648 Ca -0.19 0.06 0.00 0.00 -1.51 0.00 0.00 54.79 53.15 1h5p n ASP 648 Cb 0.67 -0.20 0.00 0.00 2.34 0.00 0.00 41.12 43.92 1h5p n ASP 648 CO 0.00 0.00 0.00 -1.14 0.12 0.00 0.00 177.20 176.18 1h5p n ARG 649 N -1.67 0.00 0.00 -0.67 3.00 -0.98 -4.99 116.66 111.34 1h5p n ARG 649 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1h5p n ARG 649 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 1h5p n ARG 649 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1h5p n GLY 650 N 0.00 1.25 0.24 5.14 0.00 -1.26 -4.68 105.19 105.89 1h5p n GLY 650 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.16 1h5p n GLY 650 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h5p n ALA 651 N 0.00 2.70 0.19 4.61 0.00 -1.26 -3.88 120.51 122.86 1h5p n ALA 651 Ca 0.00 -0.33 0.09 0.00 0.00 0.00 0.00 53.44 53.20 1h5p n ALA 651 Cb 0.00 -1.30 0.62 0.00 0.00 0.00 0.00 19.45 18.77 1h5p n ALA 651 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1h5p h SER 652 N 1.19 0.07 0.00 0.00 0.87 -1.92 -3.45 113.55 110.30 1h5p h SER 652 Ca 0.00 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1h5p h SER 652 Cb 0.34 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.28 1h5p h SER 652 CO 0.00 0.05 0.00 1.17 -0.53 0.00 0.00 176.83 177.52 1h5p n LYS 653 N -4.51 0.00 -2.31 2.24 0.00 -1.25 -4.77 118.16 107.55 1h5p n LYS 653 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 58.31 57.87 1h5p n LYS 653 Cb 0.15 0.00 -0.02 0.00 0.00 0.00 0.00 35.03 35.15 1h5p n LYS 653 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 1h5p s ASN 654 N -0.67 6.42 0.24 3.14 0.01 -1.26 -4.86 114.94 117.96 1h5p s ASN 654 Ca 0.00 1.11 0.20 0.00 -0.71 0.00 0.00 52.86 53.46 1h5p s ASN 654 Cb 0.00 -2.54 0.06 0.00 0.41 0.00 0.00 41.25 39.18 1h5p s ASN 654 CO 0.00 -1.31 1.18 4.11 -1.51 0.00 0.00 177.10 179.58 1h5p h TRP 655 N 10.38 0.00 0.00 2.20 5.08 -1.86 -3.01 115.95 128.74 1h5p h TRP 655 Ca -0.28 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.69 1h5p h TRP 655 Cb 1.11 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.27 1h5p h TRP 655 CO 0.93 0.19 0.00 0.87 -1.28 0.00 0.00 178.44 179.15 1h5p h LYS 656 N 0.00 0.00 0.00 0.12 6.56 -1.89 -2.64 116.57 118.72 1h5p h LYS 656 Ca -0.03 0.00 -0.09 0.00 -1.06 0.00 0.00 60.65 59.47 1h5p h LYS 656 Cb 1.17 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 32.81 1h5p h LYS 656 CO 0.02 0.00 -1.52 1.28 -2.06 0.00 0.00 179.45 177.17 1h5p n LEU 657 N -2.91 0.00 0.19 2.94 4.77 -1.24 -0.30 117.00 120.45 1h5p n LEU 657 Ca -0.01 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 56.02 1h5p n LEU 657 Cb 0.17 0.12 0.39 0.00 -2.33 0.00 0.00 43.42 41.77 1h5p n LEU 657 CO 0.22 0.12 0.72 -1.28 -1.33 0.00 0.00 177.39 175.84 1h5p h SER 658 N 0.00 0.00 -3.85 -1.43 0.87 -1.37 -3.44 113.55 104.34 1h5p h SER 658 Ca -0.13 0.00 -0.68 0.00 -1.23 0.00 0.00 61.79 59.74 1h5p h SER 658 Cb 1.06 0.00 -0.20 0.00 -0.44 0.00 0.00 62.40 62.82 1h5p h SER 658 CO 0.01 0.36 -0.78 -0.63 -0.53 0.00 0.00 176.83 175.25 1h5p s ILE 659 N -3.92 2.97 0.36 2.23 1.01 -1.01 -3.73 121.20 119.12 1h5p s ILE 659 Ca -0.02 -1.18 0.08 0.00 0.00 0.00 0.00 60.65 59.54 1h5p s ILE 659 Cb 0.13 -2.29 -0.06 0.00 0.01 0.00 0.00 42.46 40.25 1h5p s ILE 659 CO 0.69 0.29 0.02 -0.13 0.00 0.00 0.00 174.94 175.82 1h5p s ARG 660 N -1.60 2.04 -0.29 2.79 0.52 -0.10 -2.99 118.95 119.32 1h5p s ARG 660 Ca 0.16 -1.86 -0.01 0.00 -0.52 0.00 0.00 55.73 53.50 1h5p s ARG 660 Cb -0.11 -1.85 0.13 0.00 0.52 0.00 0.00 34.95 33.64 1h5p s ARG 660 CO 0.07 0.06 0.24 0.00 0.02 0.00 0.00 175.30 175.70 1h5p n GLY 662 N 5.24 1.89 0.00 0.00 0.00 -0.18 -3.20 105.19 108.94 1h5p n GLY 662 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1h5p n GLY 662 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h5p n GLY 663 N -0.46 0.55 3.81 -0.02 0.00 -1.26 -5.01 105.19 102.81 1h5p n GLY 663 Ca 0.00 -0.04 -0.35 0.00 0.00 0.00 0.00 46.02 45.63 1h5p n GLY 663 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1h5p s TYR 664 N 0.00 3.43 1.12 1.61 2.02 -1.19 -5.01 117.35 119.32 1h5p s TYR 664 Ca 0.00 0.37 -0.14 0.00 -0.37 0.00 0.00 57.07 56.93 1h5p s TYR 664 Cb 0.00 -1.86 0.25 0.00 -0.40 0.00 0.00 41.96 39.95 1h5p s TYR 664 CO 0.00 0.63 1.06 0.95 -1.57 0.00 0.00 175.55 176.62 1h5p s THR 665 N -1.05 1.90 0.42 -0.71 -4.23 -1.26 -0.86 115.64 109.85 1h5p s THR 665 Ca 0.17 0.00 0.16 0.00 -1.18 0.00 0.00 61.69 60.84 1h5p s THR 665 Cb -0.12 -2.33 0.17 0.00 1.34 0.00 0.00 72.50 71.57 1h5p s THR 665 CO 0.07 0.00 1.96 -0.07 -0.54 0.00 0.00 174.62 176.03 1h5p h LEU 666 N -2.35 0.00 -0.83 4.79 -0.00 -1.35 0.12 115.31 115.68 1h5p h LEU 666 Ca -0.56 0.00 0.03 0.00 -0.00 0.00 0.00 57.88 57.35 1h5p h LEU 666 Cb 1.33 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 41.94 1h5p h LEU 666 CO 0.51 0.22 0.54 0.50 -0.00 0.00 0.00 178.44 180.21 1h5p h LYS 667 N 0.00 1.02 0.21 1.13 1.63 -0.96 0.34 116.57 119.94 1h5p h LYS 667 Ca -0.00 -0.06 -0.33 0.00 -0.85 0.00 0.00 60.65 59.41 1h5p h LYS 667 Cb 0.41 -0.23 0.02 0.00 -0.60 0.00 0.00 32.23 31.84 1h5p h LYS 667 CO 0.03 0.68 -1.50 0.28 -3.45 0.00 0.00 179.45 175.49 1h5p h VAL 668 N 1.05 1.25 0.00 2.00 2.07 -1.66 -2.85 116.25 118.11 1h5p h VAL 668 Ca 0.33 -2.74 -0.01 0.00 0.82 0.00 0.00 66.70 65.10 1h5p h VAL 668 Cb -0.01 2.95 -0.00 0.00 -1.52 0.00 0.00 31.29 32.71 1h5p h VAL 668 CO -0.11 0.83 -0.05 -0.07 0.02 0.00 0.00 177.57 178.20 1h5p h LEU 669 N 0.12 0.00 0.00 2.57 4.07 -0.38 0.24 115.31 121.93 1h5p h LEU 669 Ca -0.25 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.71 1h5p h LEU 669 Cb 2.11 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.85 1h5p h LEU 669 CO 0.24 0.05 -0.61 1.15 -1.08 0.00 0.00 178.44 178.19 1h5p n MET 670 N -4.01 0.05 -0.02 1.13 0.00 0.12 -1.38 117.12 113.00 1h5p n MET 670 Ca -0.03 0.01 -0.01 0.00 0.00 0.00 0.00 57.70 57.67 1h5p n MET 670 Cb 0.13 -1.52 -0.13 0.00 0.00 0.00 0.00 33.22 31.70 1h5p n MET 670 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 175.97 174.06 1h5p n GLU 671 N -1.59 0.65 0.00 3.17 4.07 0.55 -4.74 120.64 122.75 1h5p n GLU 671 Ca 0.05 0.04 0.00 0.00 -0.06 0.00 0.00 57.16 57.19 1h5p n GLU 671 Cb 0.35 -1.64 0.00 0.00 -0.06 0.00 0.00 31.44 30.10 1h5p n GLU 671 CO 0.00 0.00 0.00 0.27 -0.06 0.00 0.00 177.13 177.34 1h5p n ASN 672 N -2.68 0.00 0.00 4.31 0.23 0.43 -4.93 115.26 112.61 1h5p n ASN 672 Ca -0.16 0.13 0.00 0.00 -0.53 0.00 0.00 54.58 54.02 1h5p n ASN 672 Cb 0.88 -0.24 0.00 0.00 -2.08 0.00 0.00 39.78 38.34 1h5p n ASN 672 CO 0.00 0.00 0.00 2.29 -0.93 0.00 0.00 177.26 178.62 1h5p n LYS 673 N -1.56 0.00 -0.34 -3.83 0.00 -1.24 -4.99 118.16 106.21 1h5p n LYS 673 Ca 0.00 0.00 0.23 0.00 -0.00 0.00 0.00 58.31 58.54 1h5p n LYS 673 Cb 0.00 0.00 0.50 0.00 -0.00 0.00 0.00 35.03 35.53 1h5p n LYS 673 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.40 178.14 1h5p h PHE 674 N 0.00 0.70 -3.94 5.58 0.04 -1.86 -3.39 116.94 114.08 1h5p h PHE 674 Ca 0.00 0.02 -0.69 0.00 2.80 0.00 0.00 57.97 60.11 1h5p h PHE 674 Cb 0.00 -0.20 -0.24 0.00 2.20 0.00 0.00 35.95 37.71 1h5p h PHE 674 CO 0.00 0.03 -0.77 -1.17 -0.60 0.00 0.00 178.31 175.80 1h5p s LEU 675 N -9.74 2.72 0.00 1.54 2.96 -0.48 -5.02 118.68 110.66 1h5p s LEU 675 Ca -0.09 -0.22 0.00 0.00 -0.22 0.00 0.00 54.13 53.60 1h5p s LEU 675 Cb 0.26 -1.56 0.00 0.00 0.50 0.00 0.00 46.19 45.39 1h5p s LEU 675 CO 0.80 0.32 0.00 -0.81 -1.32 0.00 0.00 176.35 175.34 1h5p n PRO 676 N 2.48 0.00 -1.39 0.98 -0.04 -1.26 -4.73 135.00 131.04 1h5p n PRO 676 Ca -0.17 0.00 0.17 0.00 -0.04 0.00 0.00 63.50 63.46 1h5p n PRO 676 Cb 0.52 -0.28 -0.09 0.00 -0.04 0.00 0.00 33.50 33.62 1h5p n PRO 676 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1h5p n GLU 677 N 0.00 -3.21 -0.65 0.54 1.02 -1.26 -4.80 120.64 112.28 1h5p n GLU 677 Ca 0.00 2.61 -0.32 0.00 -0.02 0.00 0.00 57.16 59.43 1h5p n GLU 677 Cb 0.00 -3.75 0.18 0.00 -0.02 0.00 0.00 31.44 27.85 1h5p n GLU 677 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 1h5p n PRO 678 N -4.26 -1.73 -1.38 3.49 -0.02 -1.26 -4.61 135.00 125.23 1h5p n PRO 678 Ca -0.09 -0.49 -0.45 0.00 -2.02 0.00 0.00 63.50 60.46 1h5p n PRO 678 Cb 0.66 -1.73 -0.14 0.00 -0.02 0.00 0.00 33.50 32.28 1h5p n PRO 678 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1h5p n PRO 679 N -2.30 0.00 0.42 0.52 -0.02 -1.26 -4.82 135.00 127.54 1h5p n PRO 679 Ca 0.01 0.00 -0.20 0.00 -2.02 0.00 0.00 63.50 61.29 1h5p n PRO 679 Cb 0.62 -1.45 -0.10 0.00 -0.02 0.00 0.00 33.50 32.55 1h5p n PRO 679 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1h5p h SER 680 N 10.80 -1.26 0.00 2.55 4.64 -1.87 -3.48 113.55 124.93 1h5p h SER 680 Ca -0.06 0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1h5p h SER 680 Cb 1.30 0.37 0.00 0.00 -0.31 0.00 0.00 62.40 63.76 1h5p h SER 680 CO 1.26 -0.75 0.00 0.35 -0.87 0.00 0.00 176.83 176.82 1h5p n THR 681 N -5.59 0.00 -1.22 2.95 -2.24 -1.26 -5.08 114.28 101.84 1h5p n THR 681 Ca -0.15 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 1h5p n THR 681 Cb 0.50 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.73 1h5p n THR 681 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1h5p n ARG 682 N -0.26 0.00 -3.84 -0.78 1.74 -1.26 -5.17 116.66 107.09 1h5p n ARG 682 Ca 0.00 0.00 -0.21 0.00 -0.77 0.00 0.00 57.85 56.87 1h5p n ARG 682 Cb 0.00 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.41 1h5p n ARG 682 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1h5p s LYS 683 N 2.89 2.90 -1.36 5.56 1.02 -1.26 -4.59 119.74 124.90 1h5p s LYS 683 Ca 0.00 -1.15 -0.07 0.00 0.02 0.00 0.00 55.97 54.78 1h5p s LYS 683 Cb 0.00 -2.59 0.02 0.00 -0.52 0.00 0.00 37.83 34.74 1h5p s LYS 683 CO 0.00 0.19 1.02 1.63 -0.92 0.00 0.00 175.35 177.27 1h5p n LYS 684 N -1.38 -6.59 -3.73 1.68 4.01 -1.26 -4.98 118.16 105.92 1h5p n LYS 684 Ca -0.04 0.74 -0.34 0.00 -0.51 0.00 0.00 58.31 58.17 1h5p n LYS 684 Cb 0.59 -5.67 -0.05 0.00 -0.51 0.00 0.00 35.03 29.39 1h5p n LYS 684 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 1h5p s VAL 685 N -3.38 5.25 0.87 -0.18 1.01 -1.26 -5.09 120.40 117.61 1h5p s VAL 685 Ca 0.38 0.14 -0.12 0.00 0.00 0.00 0.00 61.98 62.38 1h5p s VAL 685 Cb -0.18 -3.60 0.11 0.00 0.00 0.00 0.00 36.38 32.72 1h5p s VAL 685 CO 0.77 0.27 1.11 -0.89 0.00 0.00 0.00 175.10 176.36 1h5p s THR 686 N -1.40 2.57 0.34 3.92 2.01 -1.26 -4.87 115.64 116.95 1h5p s THR 686 Ca 0.32 0.19 0.00 0.00 0.31 0.00 0.00 61.69 62.50 1h5p s THR 686 Cb -0.13 -2.86 0.00 0.00 0.01 0.00 0.00 72.50 69.52 1h5p s THR 686 CO 0.19 -0.24 0.00 -0.38 -0.69 0.00 0.00 174.62 173.50 1h5p n ILE 687 N -3.70 -4.46 0.45 1.82 2.08 -1.26 -5.01 119.36 109.28 1h5p n ILE 687 Ca 0.07 1.93 0.05 0.00 0.56 0.00 0.00 62.75 65.36 1h5p n ILE 687 Cb 0.57 -2.72 0.05 0.00 -0.75 0.00 0.00 39.64 36.78 1h5p n ILE 687 CO 0.00 0.00 0.00 2.29 0.56 0.00 0.00 176.55 179.40