#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zy5 s LEU 593 N 0.00 2.79 0.19 1.04 1.43 -1.26 -4.80 118.68 118.07 1zy5 s LEU 593 Ca 0.00 0.16 -0.13 0.00 -1.03 0.00 0.00 54.13 53.13 1zy5 s LEU 593 Cb 0.00 -2.40 0.21 0.00 0.03 0.00 0.00 46.19 44.03 1zy5 s LEU 593 CO 0.00 -2.27 1.69 -0.09 0.23 0.00 0.00 176.35 175.90 1zy5 h ARG 594 N -1.15 0.14 -0.03 1.70 2.43 -1.99 -0.87 114.38 114.62 1zy5 h ARG 594 Ca -0.42 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.74 1zy5 h ARG 594 Cb 1.26 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.78 1zy5 h ARG 594 CO 0.44 0.09 0.02 -0.92 -1.51 0.00 0.00 179.97 178.09 1zy5 h TYR 595 N 0.15 0.04 -0.59 2.20 3.20 -1.96 0.17 116.97 120.16 1zy5 h TYR 595 Ca 0.26 0.00 -0.07 0.00 3.14 0.00 0.00 58.73 62.07 1zy5 h TYR 595 Cb 0.40 -0.01 -0.03 0.00 1.54 0.00 0.00 36.73 38.63 1zy5 h TYR 595 CO -0.30 0.03 0.09 0.00 -1.64 0.00 0.00 178.16 176.34 1zy5 h ALA 596 N 1.00 1.05 -0.03 1.82 0.00 -1.83 -2.45 119.26 118.83 1zy5 h ALA 596 Ca 0.01 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 1zy5 h ALA 596 Cb 0.00 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 1zy5 h ALA 596 CO -0.00 0.61 -0.04 1.03 0.00 0.00 0.00 179.25 180.84 1zy5 h SER 597 N 0.90 0.09 0.35 0.00 0.87 -0.86 -3.38 113.55 111.52 1zy5 h SER 597 Ca 0.18 -0.54 0.00 0.00 -1.23 0.00 0.00 61.79 60.20 1zy5 h SER 597 Cb 0.40 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.33 1zy5 h SER 597 CO 0.01 0.61 -0.78 0.47 -0.53 0.00 0.00 176.83 176.61 1zy5 n ASP 598 N -4.76 0.67 -4.24 6.23 9.92 0.56 -4.90 116.55 120.02 1zy5 n ASP 598 Ca -0.08 -0.43 -0.18 0.00 -0.53 0.00 0.00 54.79 53.56 1zy5 n ASP 598 Cb 0.30 0.60 -0.11 0.00 -0.64 0.00 0.00 41.12 41.27 1zy5 n ASP 598 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 1zy5 s PHE 599 N -3.06 1.43 -0.25 1.24 0.40 -0.93 0.47 117.98 117.29 1zy5 s PHE 599 Ca 0.08 -0.54 0.02 0.00 -0.60 0.00 0.00 56.93 55.89 1zy5 s PHE 599 Cb 0.16 -0.75 0.05 0.00 0.51 0.00 0.00 43.02 42.99 1zy5 s PHE 599 CO 0.77 0.15 -0.10 -2.00 0.70 0.00 0.00 175.22 174.74 1zy5 s GLU 600 N -2.57 2.39 0.16 0.44 2.56 0.23 -4.76 118.70 117.14 1zy5 s GLU 600 Ca 0.08 -1.26 -0.31 0.00 0.00 0.00 0.00 54.97 53.49 1zy5 s GLU 600 Cb -0.06 -2.89 -0.08 0.00 2.00 0.00 0.00 34.13 33.10 1zy5 s GLU 600 CO 0.03 -0.52 1.33 -2.00 -0.56 0.00 0.00 175.26 173.54 1zy5 s GLU 601 N 1.15 4.37 -0.24 4.30 2.12 -1.26 -0.69 118.70 128.45 1zy5 s GLU 601 Ca -0.06 2.03 -0.09 0.00 0.36 0.00 0.00 54.97 57.21 1zy5 s GLU 601 Cb -0.19 -3.23 -0.11 0.00 0.26 0.00 0.00 34.13 30.86 1zy5 s GLU 601 CO -0.05 -0.32 -0.29 -0.89 -0.54 0.00 0.00 175.26 173.17 1zy5 n ILE 602 N 3.22 1.32 -3.52 -3.70 2.08 0.64 -4.92 119.36 114.48 1zy5 n ILE 602 Ca 0.08 -0.37 -0.15 0.00 0.56 0.00 0.00 62.75 62.87 1zy5 n ILE 602 Cb 0.43 -1.73 -0.05 0.00 -0.75 0.00 0.00 39.64 37.54 1zy5 n ILE 602 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1zy5 s ALA 603 N -2.44 -1.59 -0.06 -1.39 0.00 -1.05 -5.00 121.76 110.22 1zy5 s ALA 603 Ca -0.33 0.92 -0.25 0.00 0.00 0.00 0.00 51.96 52.29 1zy5 s ALA 603 Cb 0.12 0.31 -0.03 0.00 0.00 0.00 0.00 23.12 23.51 1zy5 s ALA 603 CO 0.44 -0.49 0.79 0.08 0.00 0.00 0.00 175.76 176.58 1zy5 s VAL 604 N -2.11 4.98 -0.14 0.00 1.01 -1.26 -0.90 120.40 121.97 1zy5 s VAL 604 Ca -0.07 1.64 0.08 0.00 0.00 0.00 0.00 61.98 63.63 1zy5 s VAL 604 Cb -0.01 -4.13 -0.23 0.00 0.00 0.00 0.00 36.38 32.01 1zy5 s VAL 604 CO 0.02 0.20 0.28 0.18 0.00 0.00 0.00 175.10 175.77 1zy5 n LEU 605 N 4.00 1.42 -3.49 3.92 4.77 0.15 -4.92 117.00 122.84 1zy5 n LEU 605 Ca 0.01 0.16 -0.11 0.00 -0.03 0.00 0.00 56.01 56.04 1zy5 n LEU 605 Cb 0.51 -0.23 -0.03 0.00 -2.33 0.00 0.00 43.42 41.34 1zy5 n LEU 605 CO 0.49 0.62 0.59 -0.83 -1.33 0.00 0.00 177.39 176.92 1zy5 s GLY 606 N -5.57 -0.50 0.15 -0.72 0.00 -0.87 -4.98 107.32 94.83 1zy5 s GLY 606 Ca -0.16 1.03 0.00 0.00 0.00 0.00 0.00 44.72 45.60 1zy5 s GLY 606 CO 0.77 0.45 0.04 1.62 0.00 0.00 0.00 173.10 175.98 1zy5 s GLN 607 N -2.80 1.00 0.17 2.90 0.74 -1.26 -0.96 119.66 119.45 1zy5 s GLN 607 Ca 0.01 -1.48 -0.10 0.00 0.05 0.00 0.00 55.36 53.84 1zy5 s GLN 607 Cb -0.01 0.03 0.04 0.00 1.10 0.00 0.00 33.01 34.17 1zy5 s GLN 607 CO -0.06 -0.21 0.49 0.41 -0.55 0.00 0.00 175.29 175.37 1zy5 n GLY 608 N -0.16 1.22 0.32 2.59 0.00 0.20 -4.94 105.19 104.43 1zy5 n GLY 608 Ca -0.06 -1.11 0.11 0.00 0.00 0.00 0.00 46.02 44.96 1zy5 n GLY 608 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1zy5 h ALA 609 N 2.00 2.04 -0.20 4.61 0.00 -2.02 -2.92 119.26 122.77 1zy5 h ALA 609 Ca -0.17 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1zy5 h ALA 609 Cb 0.68 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1zy5 h ALA 609 CO 0.22 -0.12 0.00 1.19 0.00 0.00 0.00 179.25 180.55 1zy5 n PHE 610 N -4.48 0.26 -0.69 0.00 3.01 -1.26 -5.01 117.46 109.29 1zy5 n PHE 610 Ca 0.05 -0.30 0.00 0.00 1.01 0.00 0.00 57.45 58.20 1zy5 n PHE 610 Cb 0.27 -0.02 0.00 0.00 -0.01 0.00 0.00 39.48 39.72 1zy5 n PHE 610 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1zy5 n GLY 611 N 0.49 -0.11 3.55 1.37 0.00 -1.11 0.34 105.19 109.73 1zy5 n GLY 611 Ca 0.09 -1.10 -0.11 0.00 0.00 0.00 0.00 46.02 44.90 1zy5 n GLY 611 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1zy5 s GLN 612 N -2.00 1.67 -0.10 1.61 -2.07 -0.98 0.62 119.66 118.41 1zy5 s GLN 612 Ca 0.00 -1.43 0.03 0.00 -1.82 0.00 0.00 55.36 52.14 1zy5 s GLN 612 Cb 0.00 0.46 0.01 0.00 -1.09 0.00 0.00 33.01 32.39 1zy5 s GLN 612 CO 0.00 -0.70 -0.19 0.08 -1.32 0.00 0.00 175.29 173.16 1zy5 s VAL 613 N -3.65 1.72 0.23 3.63 1.01 -0.13 -0.54 120.40 122.67 1zy5 s VAL 613 Ca 0.25 -0.80 0.06 0.00 0.00 0.00 0.00 61.98 61.49 1zy5 s VAL 613 Cb -0.00 -1.52 -0.05 0.00 0.00 0.00 0.00 36.38 34.80 1zy5 s VAL 613 CO 0.12 0.48 -0.08 0.68 0.00 0.00 0.00 175.10 176.31 1zy5 s VAL 614 N 0.65 1.47 -0.23 2.92 -7.23 -0.29 0.32 120.40 118.00 1zy5 s VAL 614 Ca -0.13 -2.12 -0.08 0.00 -1.81 0.00 0.00 61.98 57.83 1zy5 s VAL 614 Cb -0.16 -2.23 -0.04 0.00 0.56 0.00 0.00 36.38 34.50 1zy5 s VAL 614 CO 0.04 -0.45 0.10 -0.75 -0.31 0.00 0.00 175.10 173.73 1zy5 s LYS 615 N -3.74 3.88 0.04 4.82 2.20 -0.08 0.28 119.74 127.14 1zy5 s LYS 615 Ca 0.26 -0.37 0.03 0.00 -0.36 0.00 0.00 55.97 55.52 1zy5 s LYS 615 Cb 0.03 -3.37 -0.02 0.00 -1.51 0.00 0.00 37.83 32.95 1zy5 s LYS 615 CO 0.08 0.02 -0.09 0.00 -0.36 0.00 0.00 175.35 175.00 1zy5 s ALA 616 N 1.11 0.72 -0.15 3.13 0.00 -0.49 -0.26 121.76 125.82 1zy5 s ALA 616 Ca 0.05 -0.72 -0.12 0.00 0.00 0.00 0.00 51.96 51.17 1zy5 s ALA 616 Cb -0.14 -0.03 -0.05 0.00 0.00 0.00 0.00 23.12 22.90 1zy5 s ALA 616 CO 0.04 0.06 0.25 1.03 0.00 0.00 0.00 175.76 177.14 1zy5 s ARG 617 N -1.31 4.12 -0.07 0.00 0.52 0.13 -0.85 118.95 121.49 1zy5 s ARG 617 Ca -0.05 0.04 -0.27 0.00 -0.52 0.00 0.00 55.73 54.93 1zy5 s ARG 617 Cb -0.08 -3.38 -0.03 0.00 0.52 0.00 0.00 34.95 31.98 1zy5 s ARG 617 CO 0.01 0.35 0.85 1.21 0.02 0.00 0.00 175.30 177.74 1zy5 s ASN 618 N 0.14 7.13 0.51 0.23 2.47 0.31 -0.60 114.94 125.13 1zy5 s ASN 618 Ca 0.15 1.38 0.27 0.00 0.42 0.00 0.00 52.86 55.08 1zy5 s ASN 618 Cb -0.13 -2.49 1.37 0.00 -1.45 0.00 0.00 41.25 38.55 1zy5 s ASN 618 CO 0.04 -0.25 2.03 0.00 -3.72 0.00 0.00 177.10 175.19 1zy5 h ALA 619 N 6.92 1.22 0.04 1.71 0.00 -0.31 0.29 119.26 129.13 1zy5 h ALA 619 Ca -0.38 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.35 1zy5 h ALA 619 Cb 1.19 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.96 1zy5 h ALA 619 CO 0.78 0.17 -0.25 -0.07 0.00 0.00 0.00 179.25 179.88 1zy5 h LEU 620 N 0.00 0.15 -1.67 0.00 3.38 -1.92 -3.39 115.31 111.86 1zy5 h LEU 620 Ca -0.00 -0.98 0.00 0.00 0.09 0.00 0.00 57.88 56.99 1zy5 h LEU 620 Cb 0.41 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1zy5 h LEU 620 CO 0.02 1.11 0.00 -0.90 0.09 0.00 0.00 178.44 178.76 1zy5 n ASP 621 N -4.46 2.37 -0.09 -0.43 3.85 -1.21 -4.97 116.55 111.60 1zy5 n ASP 621 Ca -0.11 -1.68 -0.01 0.00 -0.71 0.00 0.00 54.79 52.28 1zy5 n ASP 621 Cb 0.58 -0.02 -0.01 0.00 -1.35 0.00 0.00 41.12 40.33 1zy5 n ASP 621 CO 0.00 0.00 0.00 -1.20 -1.01 0.00 0.00 177.20 174.99 1zy5 n SER 622 N 0.90 -5.72 -4.88 -1.12 7.64 0.10 -4.96 113.62 105.57 1zy5 n SER 622 Ca 0.10 0.03 -0.31 0.00 1.01 0.00 0.00 58.87 59.70 1zy5 n SER 622 Cb 0.40 -3.33 -0.05 0.00 -1.01 0.00 0.00 64.21 60.23 1zy5 n SER 622 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1zy5 s ARG 623 N -1.95 3.76 0.30 1.43 0.52 -1.25 -4.72 118.95 117.05 1zy5 s ARG 623 Ca 0.00 0.24 -0.16 0.00 -0.52 0.00 0.00 55.73 55.29 1zy5 s ARG 623 Cb 0.00 -2.61 -0.09 0.00 0.52 0.00 0.00 34.95 32.78 1zy5 s ARG 623 CO 0.00 0.24 0.74 0.71 0.02 0.00 0.00 175.30 177.01 1zy5 s TYR 624 N -1.96 3.45 0.03 -0.53 1.51 -1.26 -0.53 117.35 118.06 1zy5 s TYR 624 Ca 0.47 1.28 -0.01 0.00 -1.01 0.00 0.00 57.07 57.80 1zy5 s TYR 624 Cb -0.11 -2.57 -0.03 0.00 -0.11 0.00 0.00 41.96 39.15 1zy5 s TYR 624 CO 0.24 0.16 -0.01 0.71 -1.11 0.00 0.00 175.55 175.55 1zy5 s TYR 625 N -1.85 0.35 -0.26 2.71 1.51 -0.03 -4.42 117.35 115.36 1zy5 s TYR 625 Ca 0.51 -0.74 -0.14 0.00 -1.01 0.00 0.00 57.07 55.69 1zy5 s TYR 625 Cb -0.12 -0.26 -0.04 0.00 -0.11 0.00 0.00 41.96 41.43 1zy5 s TYR 625 CO 0.18 -0.30 0.33 0.00 -1.11 0.00 0.00 175.55 174.66 1zy5 s ALA 626 N -2.63 3.56 -0.22 3.71 0.00 -0.26 -1.40 121.76 124.52 1zy5 s ALA 626 Ca -0.05 -0.83 -0.06 0.00 0.00 0.00 0.00 51.96 51.03 1zy5 s ALA 626 Cb -0.01 -2.64 -0.02 0.00 0.00 0.00 0.00 23.12 20.44 1zy5 s ALA 626 CO -0.05 -0.57 0.02 0.42 0.00 0.00 0.00 175.76 175.58 1zy5 s ILE 627 N 1.87 3.96 -0.16 0.00 -1.09 0.14 -0.77 121.20 125.15 1zy5 s ILE 627 Ca 0.14 -0.30 -0.11 0.00 -2.23 0.00 0.00 60.65 58.15 1zy5 s ILE 627 Cb -0.16 -2.82 -0.05 0.00 -1.58 0.00 0.00 42.46 37.86 1zy5 s ILE 627 CO 0.09 0.39 0.21 -0.75 -1.23 0.00 0.00 174.94 173.66 1zy5 s LYS 628 N 1.34 4.06 -0.15 2.79 2.20 0.13 -1.14 119.74 128.97 1zy5 s LYS 628 Ca 0.04 -0.05 0.01 0.00 -0.36 0.00 0.00 55.97 55.62 1zy5 s LYS 628 Cb -0.15 -3.37 0.01 0.00 -1.51 0.00 0.00 37.83 32.81 1zy5 s LYS 628 CO 0.01 0.39 -0.19 0.15 -0.36 0.00 0.00 175.35 175.35 1zy5 s LYS 629 N 0.06 3.10 -0.18 4.03 1.02 0.30 -0.46 119.74 127.61 1zy5 s LYS 629 Ca 0.13 -0.81 0.01 0.00 0.02 0.00 0.00 55.97 55.33 1zy5 s LYS 629 Cb -0.12 -2.54 0.03 0.00 -0.52 0.00 0.00 37.83 34.68 1zy5 s LYS 629 CO 0.02 -0.03 -0.13 0.42 -0.92 0.00 0.00 175.35 174.71 1zy5 s ILE 630 N 0.89 1.71 -0.16 2.17 1.01 -0.35 -2.32 121.20 124.15 1zy5 s ILE 630 Ca -0.05 -0.88 -0.03 0.00 0.00 0.00 0.00 60.65 59.69 1zy5 s ILE 630 Cb -0.15 -1.67 -0.02 0.00 0.01 0.00 0.00 42.46 40.62 1zy5 s ILE 630 CO -0.03 0.33 -0.05 -0.60 0.00 0.00 0.00 174.94 174.59 1zy5 s ARG 631 N 1.40 3.57 0.03 2.79 3.52 0.15 -0.47 118.95 129.95 1zy5 s ARG 631 Ca 0.02 -0.57 -0.27 0.00 -0.13 0.00 0.00 55.73 54.78 1zy5 s ARG 631 Cb -0.15 -2.88 0.10 0.00 -1.56 0.00 0.00 34.95 30.46 1zy5 s ARG 631 CO -0.10 0.17 1.23 -1.58 -0.81 0.00 0.00 175.30 174.21 1zy5 s HIS 632 N 0.54 0.02 0.70 5.12 2.46 -0.95 -4.82 115.29 118.36 1zy5 s HIS 632 Ca -0.04 -0.20 -0.15 0.00 0.47 0.00 0.00 55.06 55.14 1zy5 s HIS 632 Cb -0.15 0.59 0.02 0.00 -0.13 0.00 0.00 32.58 32.92 1zy5 s HIS 632 CO 0.03 -0.42 1.16 0.95 -2.47 0.00 0.00 174.74 173.99 1zy5 s THR 633 N -2.17 2.69 0.35 0.89 -4.23 -1.26 -1.58 115.64 110.33 1zy5 s THR 633 Ca 0.24 0.33 0.05 0.00 -1.18 0.00 0.00 61.69 61.13 1zy5 s THR 633 Cb 0.00 -2.86 0.29 0.00 1.34 0.00 0.00 72.50 71.27 1zy5 s THR 633 CO -0.00 -0.19 1.96 -0.33 -0.54 0.00 0.00 174.62 175.52 1zy5 h GLU 634 N -0.18 0.78 -0.23 3.99 5.08 -1.91 0.48 114.58 122.58 1zy5 h GLU 634 Ca -0.47 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 57.83 1zy5 h GLU 634 Cb 1.27 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.34 1zy5 h GLU 634 CO 0.51 0.51 0.10 1.49 -1.00 0.00 0.00 179.01 180.63 1zy5 h GLU 635 N 0.80 0.34 -0.53 2.33 4.57 -1.92 0.14 114.58 120.32 1zy5 h GLU 635 Ca 0.32 -0.06 -0.09 0.00 -1.18 0.00 0.00 59.36 58.34 1zy5 h GLU 635 Cb 0.22 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.74 1zy5 h GLU 635 CO -0.10 0.38 -0.04 0.87 -1.18 0.00 0.00 179.01 178.93 1zy5 h LYS 636 N 0.23 0.95 -0.20 1.92 1.79 -1.70 -2.96 116.57 116.60 1zy5 h LYS 636 Ca 0.08 -0.32 -0.10 0.00 -2.18 0.00 0.00 60.65 58.12 1zy5 h LYS 636 Cb 0.16 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 30.72 1zy5 h LYS 636 CO -0.01 0.99 -0.32 -0.07 -1.08 0.00 0.00 179.45 178.96 1zy5 h LEU 637 N 0.82 0.41 -1.90 2.94 3.38 -0.81 -2.97 115.31 117.18 1zy5 h LEU 637 Ca 0.14 -0.15 0.12 0.00 0.09 0.00 0.00 57.88 58.08 1zy5 h LEU 637 Cb 0.58 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 1zy5 h LEU 637 CO 0.03 0.71 0.34 0.77 0.09 0.00 0.00 178.44 180.39 1zy5 h SER 638 N 0.35 0.09 0.30 -0.43 4.64 -0.55 -0.16 113.55 117.79 1zy5 h SER 638 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1zy5 h SER 638 Cb 0.73 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 1zy5 h SER 638 CO 0.06 0.05 0.00 0.35 -0.87 0.00 0.00 176.83 176.42 1zy5 n THR 639 N -4.42 0.76 -0.23 2.95 -2.24 -1.12 -2.84 114.28 107.13 1zy5 n THR 639 Ca 0.08 0.19 0.00 0.00 -2.27 0.00 0.00 64.05 62.05 1zy5 n THR 639 Cb 0.49 -0.97 0.00 0.00 -2.10 0.00 0.00 70.33 67.75 1zy5 n THR 639 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 1zy5 n ILE 640 N -1.34 0.08 -0.29 2.28 -5.35 -0.08 -4.77 119.36 109.89 1zy5 n ILE 640 Ca 0.05 -0.42 -0.02 0.00 -0.27 0.00 0.00 62.75 62.09 1zy5 n ILE 640 Cb 0.12 1.17 0.15 0.00 -1.74 0.00 0.00 39.64 39.33 1zy5 n ILE 640 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 1zy5 h LEU 641 N 0.00 1.03 -0.32 7.28 3.38 -1.39 -1.49 115.31 123.80 1zy5 h LEU 641 Ca 0.00 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 1zy5 h LEU 641 Cb 0.17 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1zy5 h LEU 641 CO 0.00 0.80 0.03 -1.28 0.09 0.00 0.00 178.44 178.09 1zy5 h SER 642 N 1.17 0.52 -0.93 -0.43 0.87 -1.86 -1.00 113.55 111.90 1zy5 h SER 642 Ca 0.30 -0.28 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 1zy5 h SER 642 Cb -0.02 -0.14 -0.05 0.00 -0.44 0.00 0.00 62.40 61.76 1zy5 h SER 642 CO -0.05 0.67 0.58 -0.33 -0.53 0.00 0.00 176.83 177.17 1zy5 h GLU 643 N 0.36 1.25 -0.52 2.24 5.08 -1.79 -1.15 114.58 120.05 1zy5 h GLU 643 Ca 0.10 -0.10 -0.11 0.00 -1.00 0.00 0.00 59.36 58.24 1zy5 h GLU 643 Cb 0.38 -0.27 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 1zy5 h GLU 643 CO 0.01 0.86 -0.12 0.28 -1.00 0.00 0.00 179.01 179.03 1zy5 h VAL 644 N 1.27 1.27 -0.84 3.13 2.07 -1.10 -1.15 116.25 120.91 1zy5 h VAL 644 Ca 0.34 -1.28 -0.01 0.00 0.82 0.00 0.00 66.70 66.57 1zy5 h VAL 644 Cb -0.09 0.99 -0.04 0.00 -1.52 0.00 0.00 31.29 30.63 1zy5 h VAL 644 CO -0.07 0.45 0.49 0.24 0.02 0.00 0.00 177.57 178.70 1zy5 h MET 645 N 0.89 1.14 -0.34 1.57 2.86 -0.64 -1.37 114.93 119.04 1zy5 h MET 645 Ca 0.14 -0.11 -0.12 0.00 -2.06 0.00 0.00 59.70 57.54 1zy5 h MET 645 Cb 0.69 -0.24 -0.01 0.00 0.06 0.00 0.00 31.60 32.10 1zy5 h MET 645 CO 0.05 0.81 -0.25 -0.07 1.06 0.00 0.00 176.91 178.51 1zy5 h LEU 646 N 1.16 0.82 -0.96 1.22 3.38 -0.89 -2.84 115.31 117.19 1zy5 h LEU 646 Ca 0.30 -0.44 0.07 0.00 0.09 0.00 0.00 57.88 57.90 1zy5 h LEU 646 Cb -0.02 -0.23 -0.07 0.00 0.09 0.00 0.00 40.66 40.43 1zy5 h LEU 646 CO -0.05 1.08 0.61 -0.07 0.09 0.00 0.00 178.44 180.10 1zy5 h LEU 647 N 0.56 0.96 -0.45 1.67 3.38 -0.77 -0.35 115.31 120.31 1zy5 h LEU 647 Ca 0.07 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1zy5 h LEU 647 Cb 0.82 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.38 1zy5 h LEU 647 CO 0.07 0.60 0.00 0.00 0.09 0.00 0.00 178.44 179.19 1zy5 n ALA 648 N -2.36 1.38 0.81 1.53 0.00 -0.56 -1.89 120.51 119.42 1zy5 n ALA 648 Ca 0.15 0.04 0.12 0.00 0.00 0.00 0.00 53.44 53.76 1zy5 n ALA 648 Cb 0.21 -1.23 0.23 0.00 0.00 0.00 0.00 19.45 18.66 1zy5 n ALA 648 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1zy5 n SER 649 N -1.83 0.55 -4.76 0.00 3.41 -0.14 -4.84 113.62 106.00 1zy5 n SER 649 Ca 0.01 -0.05 -0.40 0.00 -0.26 0.00 0.00 58.87 58.17 1zy5 n SER 649 Cb 0.12 0.18 -0.04 0.00 -0.26 0.00 0.00 64.21 64.21 1zy5 n SER 649 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1zy5 s LEU 650 N -3.53 4.50 -0.38 1.04 1.43 -0.79 -5.01 118.68 115.93 1zy5 s LEU 650 Ca 0.09 2.37 0.04 0.00 -1.03 0.00 0.00 54.13 55.59 1zy5 s LEU 650 Cb 0.16 -3.66 0.16 0.00 0.03 0.00 0.00 46.19 42.87 1zy5 s LEU 650 CO 0.70 -0.27 0.41 0.21 0.23 0.00 0.00 176.35 177.63 1zy5 s ASN 651 N -0.82 0.86 0.00 2.29 3.84 -1.26 -4.72 114.94 115.13 1zy5 s ASN 651 Ca 0.46 -1.60 0.00 0.00 0.21 0.00 0.00 52.86 51.94 1zy5 s ASN 651 Cb -0.33 0.68 -0.00 0.00 -0.55 0.00 0.00 41.25 41.05 1zy5 s ASN 651 CO 0.43 -0.24 -0.02 -2.28 -2.79 0.00 0.00 177.10 172.21 1zy5 s HIS 652 N 1.37 0.16 0.56 0.43 2.46 -1.26 -5.04 115.29 113.97 1zy5 s HIS 652 Ca 0.18 -0.08 0.25 0.00 0.47 0.00 0.00 55.06 55.88 1zy5 s HIS 652 Cb -0.13 -0.10 1.52 0.00 -0.13 0.00 0.00 32.58 33.73 1zy5 s HIS 652 CO -0.03 -0.02 2.08 -0.56 -2.47 0.00 0.00 174.74 173.74 1zy5 h GLN 653 N 5.93 0.00 -0.54 2.88 3.07 -2.00 -2.11 115.11 122.34 1zy5 h GLN 653 Ca -0.26 0.00 -0.14 0.00 0.09 0.00 0.00 58.65 58.34 1zy5 h GLN 653 Cb 1.21 0.00 -0.08 0.00 0.08 0.00 0.00 27.48 28.68 1zy5 h GLN 653 CO 0.50 0.00 0.13 0.66 0.09 0.00 0.00 178.83 180.20 1zy5 n TYR 654 N -4.09 1.82 -4.12 0.06 0.53 -1.26 -4.81 117.16 105.30 1zy5 n TYR 654 Ca 0.03 -1.14 -0.18 0.00 -1.02 0.00 0.00 57.90 55.59 1zy5 n TYR 654 Cb 0.36 -0.55 -0.16 0.00 -1.03 0.00 0.00 39.34 37.97 1zy5 n TYR 654 CO 0.00 0.00 0.00 0.08 -1.02 0.00 0.00 176.86 175.92 1zy5 s VAL 655 N -2.98 0.42 0.21 -0.72 1.01 -0.79 -1.30 120.40 116.24 1zy5 s VAL 655 Ca 0.50 -0.11 -0.32 0.00 0.00 0.00 0.00 61.98 62.05 1zy5 s VAL 655 Cb 0.41 -0.43 -0.13 0.00 0.00 0.00 0.00 36.38 36.24 1zy5 s VAL 655 CO 0.10 0.17 1.66 0.52 0.00 0.00 0.00 175.10 177.55 1zy5 n VAL 656 N 3.69 0.15 -2.41 2.92 0.31 -0.17 -4.62 118.33 118.21 1zy5 n VAL 656 Ca -0.22 -0.04 -0.41 0.00 -0.01 0.00 0.00 64.34 63.67 1zy5 n VAL 656 Cb 0.53 -1.84 -0.04 0.00 -0.91 0.00 0.00 33.84 31.59 1zy5 n VAL 656 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 1zy5 s ARG 657 N 0.85 4.55 -0.44 5.55 1.81 -1.26 -4.90 118.95 125.11 1zy5 s ARG 657 Ca 0.75 1.85 -0.06 0.00 -1.72 0.00 0.00 55.73 56.55 1zy5 s ARG 657 Cb -0.56 -3.21 0.11 0.00 -0.45 0.00 0.00 34.95 30.84 1zy5 s ARG 657 CO 0.36 0.04 0.27 0.71 -0.68 0.00 0.00 175.30 176.00 1zy5 s TYR 658 N -0.58 3.50 -0.05 -0.53 1.51 -1.26 -1.44 117.35 118.49 1zy5 s TYR 658 Ca 0.49 -2.12 -0.27 0.00 -1.01 0.00 0.00 57.07 54.17 1zy5 s TYR 658 Cb -0.32 -3.32 -0.22 0.00 -0.11 0.00 0.00 41.96 37.99 1zy5 s TYR 658 CO 0.39 -0.97 1.15 1.88 -1.11 0.00 0.00 175.55 176.89 1zy5 h TYR 659 N 8.25 -0.00 -3.28 2.71 -1.99 -1.32 -3.39 116.97 117.95 1zy5 h TYR 659 Ca -0.17 -0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.53 1zy5 h TYR 659 Cb 1.06 0.00 -0.11 0.00 2.00 0.00 0.00 36.73 39.68 1zy5 h TYR 659 CO 0.60 0.60 0.03 0.00 -0.00 0.00 0.00 178.16 179.39 1zy5 s ALA 660 N -3.80 -1.05 -0.08 3.88 0.00 -1.15 -5.01 121.76 114.55 1zy5 s ALA 660 Ca -0.17 -0.05 -0.12 0.00 0.00 0.00 0.00 51.96 51.62 1zy5 s ALA 660 Cb 0.01 0.81 0.03 0.00 0.00 0.00 0.00 23.12 23.97 1zy5 s ALA 660 CO 0.68 -0.75 0.31 0.00 0.00 0.00 0.00 175.76 175.99 1zy5 s ALA 661 N -3.83 -0.76 0.11 0.00 0.00 -1.26 -0.30 121.76 115.73 1zy5 s ALA 661 Ca 0.06 0.67 -0.13 0.00 0.00 0.00 0.00 51.96 52.56 1zy5 s ALA 661 Cb -0.00 -0.31 0.02 0.00 0.00 0.00 0.00 23.12 22.83 1zy5 s ALA 661 CO -0.07 -0.18 0.33 1.67 0.00 0.00 0.00 175.76 177.50 1zy5 s TRP 662 N -0.35 -0.07 -0.17 0.00 -2.14 -0.58 -4.98 118.94 110.66 1zy5 s TRP 662 Ca -0.05 -0.29 -0.02 0.00 2.66 0.00 0.00 56.10 58.40 1zy5 s TRP 662 Cb -0.03 0.15 -0.01 0.00 -3.10 0.00 0.00 33.47 30.47 1zy5 s TRP 662 CO 0.02 -0.65 -0.09 -1.17 -2.66 0.00 0.00 176.95 172.40 1zy5 s LEU 663 N -2.83 2.85 -0.17 -4.66 2.96 -1.26 -0.34 118.68 115.23 1zy5 s LEU 663 Ca 0.04 -0.32 -0.03 0.00 -0.22 0.00 0.00 54.13 53.60 1zy5 s LEU 663 Cb 0.03 -1.68 -0.02 0.00 0.50 0.00 0.00 46.19 45.02 1zy5 s LEU 663 CO -0.11 0.10 -0.06 -1.61 -1.32 0.00 0.00 176.35 173.35 1zy5 s GLU 664 N 0.75 3.54 -0.08 1.98 2.02 0.47 -4.96 118.70 122.43 1zy5 s GLU 664 Ca -0.04 -0.58 -0.02 0.00 0.02 0.00 0.00 54.97 54.35 1zy5 s GLU 664 Cb -0.15 -2.88 -0.03 0.00 0.10 0.00 0.00 34.13 31.17 1zy5 s GLU 664 CO 0.02 0.12 0.02 1.03 0.02 0.00 0.00 175.26 176.47 1zy5 s ARG 768 N 0.65 3.01 0.12 1.61 0.52 -1.26 -1.32 118.95 122.27 1zy5 s ARG 768 Ca -0.03 -0.40 0.04 0.00 -0.52 0.00 0.00 55.73 54.82 1zy5 s ARG 768 Cb -0.15 -2.82 -0.04 0.00 0.52 0.00 0.00 34.95 32.46 1zy5 s ARG 768 CO 0.02 0.70 0.09 1.03 0.02 0.00 0.00 175.30 177.17 1zy5 s ARG 769 N -0.98 2.84 -0.26 3.54 1.81 -1.26 -5.06 118.95 119.58 1zy5 s ARG 769 Ca 0.14 -0.79 -0.02 0.00 -1.72 0.00 0.00 55.73 53.34 1zy5 s ARG 769 Cb -0.11 -2.67 0.03 0.00 -0.45 0.00 0.00 34.95 31.75 1zy5 s ARG 769 CO 0.03 0.53 -0.04 -0.80 -0.68 0.00 0.00 175.30 174.34 1zy5 s ASN 770 N -2.68 4.49 0.11 0.23 -0.87 -1.26 -5.09 114.94 109.87 1zy5 s ASN 770 Ca 0.30 -0.96 -0.02 0.00 -1.57 0.00 0.00 52.86 50.61 1zy5 s ASN 770 Cb -0.11 -1.69 -0.05 0.00 -0.02 0.00 0.00 41.25 39.39 1zy5 s ASN 770 CO 0.22 -0.16 0.30 -0.36 -2.57 0.00 0.00 177.10 174.53 1zy5 s PHE 771 N 1.32 3.50 -0.29 2.20 0.40 -1.26 -5.32 117.98 118.52 1zy5 s PHE 771 Ca -0.01 0.39 0.01 0.00 -0.60 0.00 0.00 56.93 56.72 1zy5 s PHE 771 Cb -0.17 -1.87 0.35 0.00 0.51 0.00 0.00 43.02 41.84 1zy5 s PHE 771 CO -0.03 0.50 1.65 0.28 0.70 0.00 0.00 175.22 178.32 1zy5 n VAL 772 N 0.10 2.43 -1.41 -0.44 0.31 -1.26 -5.32 118.33 112.74 1zy5 n VAL 772 Ca -0.04 -1.29 -0.55 0.00 -0.01 0.00 0.00 64.34 62.45 1zy5 n VAL 772 Cb 0.52 -0.84 -0.08 0.00 -0.91 0.00 0.00 33.84 32.53 1zy5 n VAL 772 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 1zy5 n LYS 779 N -0.31 0.00 -3.55 5.55 2.85 -1.26 -5.35 118.16 116.08 1zy5 n LYS 779 Ca 0.35 0.00 -0.37 0.00 -1.05 0.00 0.00 58.31 57.24 1zy5 n LYS 779 Cb 1.04 -1.39 -0.06 0.00 -0.65 0.00 0.00 35.03 33.96 1zy5 n LYS 779 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 177.40 177.56 1zy5 s LYS 780 N 0.17 3.84 0.18 -1.58 2.36 -1.26 -4.95 119.74 118.50 1zy5 s LYS 780 Ca 0.85 0.31 0.06 0.00 -2.55 0.00 0.00 55.97 54.65 1zy5 s LYS 780 Cb -1.19 -3.17 -0.04 0.00 -1.05 0.00 0.00 37.83 32.38 1zy5 s LYS 780 CO 0.54 0.68 0.11 0.15 1.55 0.00 0.00 175.35 178.37 1zy5 s LYS 781 N -1.24 2.76 0.35 4.03 1.02 -1.26 -4.06 119.74 121.35 1zy5 s LYS 781 Ca 0.25 -0.98 0.03 0.00 0.02 0.00 0.00 55.97 55.29 1zy5 s LYS 781 Cb -0.16 -2.54 -0.05 0.00 -0.52 0.00 0.00 37.83 34.56 1zy5 s LYS 781 CO 0.13 0.46 0.08 -1.12 -0.92 0.00 0.00 175.35 173.99 1zy5 s SER 782 N -3.20 2.49 -0.09 2.83 0.01 -0.62 -4.61 113.70 110.50 1zy5 s SER 782 Ca 0.30 -1.49 0.03 0.00 1.31 0.00 0.00 55.95 56.10 1zy5 s SER 782 Cb -0.09 0.15 0.01 0.00 0.21 0.00 0.00 66.02 66.30 1zy5 s SER 782 CO 0.22 -0.73 -0.18 -0.89 0.41 0.00 0.00 173.24 172.07 1zy5 s THR 783 N -3.29 1.62 -0.21 1.44 2.01 -0.44 -2.24 115.64 114.54 1zy5 s THR 783 Ca 0.31 -0.75 -0.14 0.00 0.31 0.00 0.00 61.69 61.42 1zy5 s THR 783 Cb 0.06 -1.44 -0.04 0.00 0.01 0.00 0.00 72.50 71.09 1zy5 s THR 783 CO 0.15 0.46 0.33 -0.22 -0.69 0.00 0.00 174.62 174.65 1zy5 s LEU 784 N 0.61 4.14 -0.08 4.42 2.96 0.38 -0.39 118.68 130.72 1zy5 s LEU 784 Ca -0.14 0.40 -0.02 0.00 -0.22 0.00 0.00 54.13 54.15 1zy5 s LEU 784 Cb -0.16 -2.40 -0.03 0.00 0.50 0.00 0.00 46.19 44.09 1zy5 s LEU 784 CO 0.04 -0.04 0.02 -0.36 -1.32 0.00 0.00 176.35 174.70 1zy5 s PHE 785 N 1.25 3.21 -0.14 5.38 0.40 0.53 -1.21 117.98 127.41 1zy5 s PHE 785 Ca 0.16 0.23 -0.01 0.00 -0.60 0.00 0.00 56.93 56.70 1zy5 s PHE 785 Cb -0.14 -1.79 0.04 0.00 0.51 0.00 0.00 43.02 41.63 1zy5 s PHE 785 CO 0.07 0.51 -0.01 0.42 0.70 0.00 0.00 175.22 176.90 1zy5 s ILE 786 N -0.93 0.70 -0.29 0.64 1.01 0.39 -1.52 121.20 121.20 1zy5 s ILE 786 Ca 0.14 -0.34 -0.21 0.00 0.00 0.00 0.00 60.65 60.25 1zy5 s ILE 786 Cb -0.11 -0.95 -0.01 0.00 0.01 0.00 0.00 42.46 41.39 1zy5 s ILE 786 CO 0.04 0.09 0.64 -1.58 0.00 0.00 0.00 174.94 174.13 1zy5 s GLN 787 N 1.81 3.99 0.25 2.79 0.74 0.60 -0.69 119.66 129.14 1zy5 s GLN 787 Ca 0.02 0.42 0.11 0.00 0.05 0.00 0.00 55.36 55.95 1zy5 s GLN 787 Cb -0.15 -3.70 -0.05 0.00 1.10 0.00 0.00 33.01 30.22 1zy5 s GLN 787 CO -0.07 -0.52 -0.19 -1.64 -0.55 0.00 0.00 175.29 172.32 1zy5 s MET 788 N 2.60 1.56 0.12 1.67 -1.94 0.05 -0.82 119.30 122.53 1zy5 s MET 788 Ca 0.26 -1.68 -0.31 0.00 -1.71 0.00 0.00 55.69 52.25 1zy5 s MET 788 Cb -0.15 -1.61 -0.09 0.00 2.01 0.00 0.00 34.83 34.99 1zy5 s MET 788 CO 0.11 0.30 1.57 -2.00 -0.01 0.00 0.00 175.02 174.99 1zy5 s GLU 789 N -3.39 4.22 -0.25 2.03 2.12 -0.52 -1.10 118.70 121.82 1zy5 s GLU 789 Ca 0.26 2.30 -0.24 0.00 0.36 0.00 0.00 54.97 57.65 1zy5 s GLU 789 Cb -0.04 -3.34 -0.01 0.00 0.26 0.00 0.00 34.13 31.00 1zy5 s GLU 789 CO 0.12 -0.63 0.80 -0.47 -0.54 0.00 0.00 175.26 174.54 1zy5 s TYR 790 N 1.71 3.30 -0.25 5.30 5.04 -1.26 -4.56 117.35 126.63 1zy5 s TYR 790 Ca 0.70 1.08 -0.09 0.00 -2.44 0.00 0.00 57.07 56.32 1zy5 s TYR 790 Cb -0.41 -3.02 -0.04 0.00 0.35 0.00 0.00 41.96 38.84 1zy5 s TYR 790 CO 0.31 -0.39 0.13 0.00 -1.34 0.00 0.00 175.55 174.25 1zy5 n GLU 792 N 4.71 1.90 -0.74 0.00 0.28 -1.26 -4.72 120.64 120.81 1zy5 n GLU 792 Ca -0.15 -2.15 0.00 0.00 -0.16 0.00 0.00 57.16 54.70 1zy5 n GLU 792 Cb 0.52 -1.30 0.26 0.00 1.43 0.00 0.00 31.44 32.35 1zy5 n GLU 792 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1zy5 n ASN 793 N -1.07 3.88 0.00 -1.84 4.13 -1.26 -5.09 115.26 114.02 1zy5 n ASN 793 Ca 0.10 -3.28 0.00 0.00 1.68 0.00 0.00 54.58 53.08 1zy5 n ASN 793 Cb 0.50 -0.64 0.00 0.00 -1.54 0.00 0.00 39.78 38.10 1zy5 n ASN 793 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1zy5 n GLY 794 N -0.54 -3.48 3.41 7.41 0.00 -1.26 -4.73 105.19 106.01 1zy5 n GLY 794 Ca 0.31 -1.97 -0.23 0.00 0.00 0.00 0.00 46.02 44.13 1zy5 n GLY 794 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1zy5 s THR 795 N -0.79 0.31 0.43 2.61 -4.23 -1.26 -1.83 115.64 110.87 1zy5 s THR 795 Ca 0.00 -2.00 0.12 0.00 -1.18 0.00 0.00 61.69 58.63 1zy5 s THR 795 Cb 0.00 -2.40 0.20 0.00 1.34 0.00 0.00 72.50 71.64 1zy5 s THR 795 CO 0.00 0.00 2.00 0.25 -0.54 0.00 0.00 174.62 176.33 1zy5 h LEU 796 N 1.94 0.16 -0.09 4.79 5.85 -0.80 -1.41 115.31 125.74 1zy5 h LEU 796 Ca -0.31 -0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.40 1zy5 h LEU 796 Cb 1.26 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.24 1zy5 h LEU 796 CO 0.47 0.26 0.04 0.22 -0.34 0.00 0.00 178.44 179.09 1zy5 h TYR 797 N 0.17 0.08 -0.85 1.25 5.03 -1.82 0.24 116.97 121.07 1zy5 h TYR 797 Ca 0.04 0.00 -0.02 0.00 2.58 0.00 0.00 58.73 61.33 1zy5 h TYR 797 Cb 0.23 -0.02 -0.04 0.00 1.55 0.00 0.00 36.73 38.45 1zy5 h TYR 797 CO 0.00 0.05 0.45 -0.44 -1.32 0.00 0.00 178.16 176.89 1zy5 h ASP 798 N 0.10 1.08 -0.05 -2.11 3.32 -1.70 -1.67 116.42 115.38 1zy5 h ASP 798 Ca 0.04 -0.11 -0.00 0.00 0.02 0.00 0.00 57.03 56.98 1zy5 h ASP 798 Cb 0.01 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.28 1zy5 h ASP 798 CO -0.03 0.88 0.03 0.25 -1.72 0.00 0.00 179.24 178.65 1zy5 h LEU 799 N 1.20 0.07 -0.65 1.55 5.85 -0.60 -1.04 115.31 121.68 1zy5 h LEU 799 Ca 0.30 -0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.93 1zy5 h LEU 799 Cb 0.06 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.04 1zy5 h LEU 799 CO -0.04 0.12 0.38 0.40 -0.34 0.00 0.00 178.44 178.96 1zy5 h ILE 800 N 0.00 1.20 -0.22 4.05 2.04 -0.30 -2.59 117.51 121.69 1zy5 h ILE 800 Ca 0.02 -0.46 0.00 0.00 1.00 0.00 0.00 64.86 65.42 1zy5 h ILE 800 Cb 0.07 0.32 0.00 0.00 -0.74 0.00 0.00 36.82 36.47 1zy5 h ILE 800 CO -0.00 0.21 0.00 1.41 0.00 0.00 0.00 178.15 179.76 1zy5 n HIS 801 N -4.56 0.28 -0.37 1.37 8.25 -0.65 -3.92 115.22 115.62 1zy5 n HIS 801 Ca 0.05 -0.14 0.00 0.00 -0.26 0.00 0.00 57.72 57.37 1zy5 n HIS 801 Cb 0.07 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.18 1zy5 n HIS 801 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1zy5 n SER 802 N 0.84 0.28 0.00 0.41 7.64 -0.41 -4.87 113.62 117.52 1zy5 n SER 802 Ca 0.17 -0.73 0.00 0.00 1.01 0.00 0.00 58.87 59.32 1zy5 n SER 802 Cb 0.46 0.15 0.00 0.00 -1.01 0.00 0.00 64.21 63.81 1zy5 n SER 802 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1zy5 n GLU 803 N -0.15 0.06 -3.70 1.43 1.02 -0.98 -5.03 120.64 113.29 1zy5 n GLU 803 Ca 0.00 -0.35 -0.29 0.00 -0.02 0.00 0.00 57.16 56.50 1zy5 n GLU 803 Cb 0.09 -0.66 0.03 0.00 -0.02 0.00 0.00 31.44 30.88 1zy5 n GLU 803 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1zy5 n ASN 804 N -0.05 -5.35 0.26 1.62 0.23 -1.25 -4.81 115.26 105.92 1zy5 n ASN 804 Ca 0.00 -0.94 0.11 0.00 -0.53 0.00 0.00 54.58 53.22 1zy5 n ASN 804 Cb 0.24 -2.96 0.70 0.00 -2.08 0.00 0.00 39.78 35.68 1zy5 n ASN 804 CO 0.00 0.00 0.00 0.25 -0.93 0.00 0.00 177.26 176.58 1zy5 h LEU 805 N -1.39 0.00 -0.08 -4.53 5.85 -1.75 -2.84 115.31 110.57 1zy5 h LEU 805 Ca -0.59 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.13 1zy5 h LEU 805 Cb 1.33 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.36 1zy5 h LEU 805 CO 0.44 0.12 0.00 -0.46 -0.34 0.00 0.00 178.44 178.20 1zy5 n ASN 806 N -3.82 0.03 -0.28 1.25 0.23 -1.17 -1.17 115.26 110.34 1zy5 n ASN 806 Ca -0.02 0.51 0.08 0.00 -0.53 0.00 0.00 54.58 54.62 1zy5 n ASN 806 Cb 0.22 -0.52 -0.03 0.00 -2.08 0.00 0.00 39.78 37.38 1zy5 n ASN 806 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1zy5 n GLN 807 N -1.54 1.67 -3.55 -3.83 6.02 -1.07 -4.70 117.38 110.37 1zy5 n GLN 807 Ca 0.00 -0.61 -0.39 0.00 -0.01 0.00 0.00 57.00 55.99 1zy5 n GLN 807 Cb 0.02 -1.28 -0.05 0.00 1.02 0.00 0.00 30.24 29.95 1zy5 n GLN 807 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1zy5 s GLN 808 N -2.10 3.41 0.11 -1.09 -0.21 -0.31 -4.93 119.66 114.54 1zy5 s GLN 808 Ca 0.12 -3.05 -0.26 0.00 0.02 0.00 0.00 55.36 52.19 1zy5 s GLN 808 Cb 0.13 -4.11 -0.09 0.00 1.00 0.00 0.00 33.01 29.94 1zy5 s GLN 808 CO 0.48 -1.25 1.66 -0.09 -2.12 0.00 0.00 175.29 173.98 1zy5 h ARG 809 N 6.52 -0.34 -0.98 2.91 2.43 -1.84 -0.17 114.38 122.91 1zy5 h ARG 809 Ca 0.13 0.02 0.12 0.00 -0.81 0.00 0.00 59.98 59.45 1zy5 h ARG 809 Cb 0.88 0.08 -0.08 0.00 -0.42 0.00 0.00 29.97 30.42 1zy5 h ARG 809 CO 0.85 -0.23 0.62 -0.44 -1.51 0.00 0.00 179.97 179.27 1zy5 h ASP 810 N -0.35 0.88 -0.14 -3.80 3.32 -1.96 -1.82 116.42 112.54 1zy5 h ASP 810 Ca 0.03 0.05 -0.05 0.00 0.02 0.00 0.00 57.03 57.08 1zy5 h ASP 810 Cb 0.38 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 39.80 1zy5 h ASP 810 CO -0.12 0.47 -0.11 -0.08 -1.72 0.00 0.00 179.24 177.68 1zy5 h GLU 811 N 0.94 0.33 0.00 3.56 4.57 -1.78 -1.91 114.58 120.29 1zy5 h GLU 811 Ca 0.49 -0.16 -0.07 0.00 -1.18 0.00 0.00 59.36 58.43 1zy5 h GLU 811 Cb 0.52 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.10 1zy5 h GLU 811 CO -0.25 0.69 -0.36 0.10 -1.18 0.00 0.00 179.01 178.01 1zy5 h TYR 812 N -0.04 0.00 -0.23 0.92 -0.00 -0.62 -1.68 116.97 115.32 1zy5 h TYR 812 Ca 0.03 0.00 -0.19 0.00 0.00 0.00 0.00 58.73 58.57 1zy5 h TYR 812 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.35 1zy5 h TYR 812 CO 0.08 0.36 -0.59 -1.49 -0.00 0.00 0.00 178.16 176.51 1zy5 h TRP 813 N 0.00 1.04 0.02 0.10 -0.00 -1.34 -1.07 115.95 114.70 1zy5 h TRP 813 Ca -0.00 -0.40 -0.00 0.00 -0.00 0.00 0.00 58.89 58.48 1zy5 h TRP 813 Cb 0.79 -0.18 0.00 0.00 -0.00 0.00 0.00 29.16 29.76 1zy5 h TRP 813 CO 0.00 1.22 -0.01 -0.09 -0.00 0.00 0.00 178.44 179.57 1zy5 h ARG 814 N 0.56 -0.02 -0.42 0.49 2.43 -1.10 -0.38 114.38 115.94 1zy5 h ARG 814 Ca -0.01 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1zy5 h ARG 814 Cb 1.21 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.75 1zy5 h ARG 814 CO 0.13 0.05 0.24 -0.07 -1.51 0.00 0.00 179.97 178.81 1zy5 h LEU 815 N -0.08 0.51 -0.61 3.80 3.38 -1.31 -1.24 115.31 119.75 1zy5 h LEU 815 Ca -0.00 -0.07 0.04 0.00 0.09 0.00 0.00 57.88 57.94 1zy5 h LEU 815 Cb 0.08 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 40.65 1zy5 h LEU 815 CO 0.00 0.43 0.35 0.15 0.09 0.00 0.00 178.44 179.46 1zy5 h PHE 816 N 0.55 0.65 -0.60 1.13 3.57 -1.04 -0.52 116.94 120.68 1zy5 h PHE 816 Ca 0.15 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.61 1zy5 h PHE 816 Cb 0.02 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 38.53 1zy5 h PHE 816 CO -0.03 0.34 0.14 -0.09 -2.23 0.00 0.00 178.31 176.44 1zy5 h ARG 817 N 0.67 0.94 -0.68 1.11 2.43 -0.75 -1.04 114.38 117.07 1zy5 h ARG 817 Ca 0.26 -0.21 -0.08 0.00 -0.81 0.00 0.00 59.98 59.14 1zy5 h ARG 817 Cb 0.10 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.49 1zy5 h ARG 817 CO -0.14 0.84 0.11 1.96 -1.51 0.00 0.00 179.97 181.23 1zy5 h GLN 818 N 0.90 1.12 -0.67 0.20 4.20 -0.24 -0.50 115.11 120.12 1zy5 h GLN 818 Ca 0.19 -0.30 -0.03 0.00 0.06 0.00 0.00 58.65 58.57 1zy5 h GLN 818 Cb 0.33 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 27.95 1zy5 h GLN 818 CO 0.00 1.03 0.29 0.82 -0.67 0.00 0.00 178.83 180.30 1zy5 h ILE 819 N 1.05 1.23 -0.73 2.54 2.04 -0.67 -0.39 117.51 122.58 1zy5 h ILE 819 Ca 0.21 -0.70 -0.04 0.00 1.00 0.00 0.00 64.86 65.33 1zy5 h ILE 819 Cb 0.45 0.45 -0.03 0.00 -0.74 0.00 0.00 36.82 36.95 1zy5 h ILE 819 CO 0.01 0.28 0.32 -0.07 0.00 0.00 0.00 178.15 178.69 1zy5 h LEU 820 N 0.94 0.99 -0.76 1.44 3.38 -0.91 0.11 115.31 120.49 1zy5 h LEU 820 Ca 0.23 -0.16 -0.07 0.00 0.09 0.00 0.00 57.88 57.97 1zy5 h LEU 820 Cb 0.17 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 1zy5 h LEU 820 CO -0.02 0.87 0.19 -0.33 0.09 0.00 0.00 178.44 179.24 1zy5 h GLU 821 N 1.04 1.12 0.16 1.13 4.39 -0.52 0.11 114.58 122.02 1zy5 h GLU 821 Ca 0.25 -0.26 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 1zy5 h GLU 821 Cb 0.18 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 28.67 1zy5 h GLU 821 CO -0.02 0.98 -0.08 0.00 -1.16 0.00 0.00 179.01 178.72 1zy5 h ALA 822 N 1.13 -0.22 -0.71 3.43 0.00 -0.61 -2.37 119.26 119.91 1zy5 h ALA 822 Ca 0.23 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1zy5 h ALA 822 Cb 0.35 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1zy5 h ALA 822 CO -0.00 -0.60 0.42 -0.07 0.00 0.00 0.00 179.25 179.00 1zy5 h LEU 823 N -0.28 0.87 -0.88 0.00 3.38 -0.55 -0.11 115.31 117.75 1zy5 h LEU 823 Ca -0.02 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 1zy5 h LEU 823 Cb 0.21 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.70 1zy5 h LEU 823 CO 0.04 0.69 0.52 0.77 0.09 0.00 0.00 178.44 180.55 1zy5 h SER 824 N 0.98 1.07 -0.06 -0.43 4.64 -0.72 0.25 113.55 119.28 1zy5 h SER 824 Ca 0.25 -0.08 -0.01 0.00 -0.47 0.00 0.00 61.79 61.49 1zy5 h SER 824 Cb -0.00 -0.27 -0.00 0.00 -0.31 0.00 0.00 62.40 61.81 1zy5 h SER 824 CO -0.05 0.84 0.00 0.22 -0.87 0.00 0.00 176.83 176.98 1zy5 h TYR 825 N 1.22 0.12 0.24 4.77 3.20 -0.98 -0.56 116.97 124.97 1zy5 h TYR 825 Ca 0.31 -0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.16 1zy5 h TYR 825 Cb -0.02 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.20 1zy5 h TYR 825 CO 0.00 0.37 -0.20 0.82 -1.64 0.00 0.00 178.16 177.51 1zy5 h ILE 826 N -0.16 0.57 0.00 1.81 2.04 -0.71 -2.48 117.51 118.58 1zy5 h ILE 826 Ca 0.02 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.86 1zy5 h ILE 826 Cb 0.32 0.57 -0.00 0.00 -0.74 0.00 0.00 36.82 36.97 1zy5 h ILE 826 CO 0.00 0.00 -0.09 0.45 0.00 0.00 0.00 178.15 178.51 1zy5 h HIS 827 N -0.45 0.00 0.00 1.37 3.86 -0.50 -0.94 115.15 118.49 1zy5 h HIS 827 Ca -0.01 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 1zy5 h HIS 827 Cb 0.41 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.88 1zy5 h HIS 827 CO -0.13 0.09 0.00 0.66 0.86 0.00 0.00 177.93 179.41 1zy5 h SER 828 N 0.00 0.00 -0.71 2.45 4.64 -0.61 -1.06 113.55 118.26 1zy5 h SER 828 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1zy5 h SER 828 Cb 0.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 1zy5 h SER 828 CO 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.97 1zy5 n GLN 829 N -2.90 2.88 -1.14 4.77 1.13 -0.37 -4.93 117.38 116.82 1zy5 n GLN 829 Ca -0.01 -2.67 -0.05 0.00 -1.94 0.00 0.00 57.00 52.32 1zy5 n GLN 829 Cb 0.14 -1.60 -0.02 0.00 0.11 0.00 0.00 30.24 28.87 1zy5 n GLN 829 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1zy5 n GLY 830 N 1.53 0.74 3.90 1.08 0.00 -0.40 -5.01 105.19 107.02 1zy5 n GLY 830 Ca 0.24 -0.51 -0.32 0.00 0.00 0.00 0.00 46.02 45.43 1zy5 n GLY 830 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1zy5 s ILE 831 N -2.08 5.22 -0.08 -0.61 1.01 -1.18 -5.04 121.20 118.44 1zy5 s ILE 831 Ca 0.00 0.01 0.03 0.00 0.00 0.00 0.00 60.65 60.68 1zy5 s ILE 831 Cb 0.00 -3.62 0.01 0.00 0.01 0.00 0.00 42.46 38.86 1zy5 s ILE 831 CO 0.00 0.12 -0.15 -0.63 0.00 0.00 0.00 174.94 174.28 1zy5 s ILE 832 N -1.57 1.34 0.04 2.92 1.01 -1.26 -4.07 121.20 119.61 1zy5 s ILE 832 Ca 0.38 -0.59 -0.22 0.00 0.00 0.00 0.00 60.65 60.21 1zy5 s ILE 832 Cb -0.13 -1.21 -0.15 0.00 0.01 0.00 0.00 42.46 40.99 1zy5 s ILE 832 CO 0.24 0.40 1.41 -0.74 0.00 0.00 0.00 174.94 176.24 1zy5 h HIS 833 N 6.97 0.26 0.00 3.97 -0.00 -1.94 -3.44 115.15 120.97 1zy5 h HIS 833 Ca -0.28 -0.06 0.00 0.00 -0.00 0.00 0.00 60.37 60.03 1zy5 h HIS 833 Cb 1.20 -0.06 0.00 0.00 -0.00 0.00 0.00 27.41 28.54 1zy5 h HIS 833 CO 0.48 0.55 0.00 0.54 -0.00 0.00 0.00 177.93 179.50 1zy5 n ARG 834 N -4.73 0.00 -2.82 5.26 1.74 -1.26 0.06 116.66 114.91 1zy5 n ARG 834 Ca -0.06 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 57.01 1zy5 n ARG 834 Cb 0.26 -1.56 0.05 0.00 -1.02 0.00 0.00 32.46 30.18 1zy5 n ARG 834 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1zy5 n ASP 835 N 0.00 1.64 -4.71 0.55 4.64 -1.26 -4.87 116.55 112.54 1zy5 n ASP 835 Ca 0.00 -2.08 -0.42 0.00 -1.38 0.00 0.00 54.79 50.91 1zy5 n ASP 835 Cb 0.00 -0.48 -0.03 0.00 -1.04 0.00 0.00 41.12 39.57 1zy5 n ASP 835 CO 0.00 0.00 0.00 -0.22 -0.82 0.00 0.00 177.20 176.16 1zy5 s LEU 836 N -3.78 4.36 0.13 -2.67 2.96 -1.26 -4.85 118.68 113.56 1zy5 s LEU 836 Ca 0.28 2.27 -0.25 0.00 -0.22 0.00 0.00 54.13 56.21 1zy5 s LEU 836 Cb 0.33 -3.58 0.07 0.00 0.50 0.00 0.00 46.19 43.51 1zy5 s LEU 836 CO -0.04 -0.68 0.77 -1.59 -1.32 0.00 0.00 176.35 173.50 1zy5 s LYS 837 N 1.54 1.20 0.29 1.98 -2.85 -1.26 -4.85 119.74 115.79 1zy5 s LYS 837 Ca 0.65 -0.53 0.04 0.00 -1.00 0.00 0.00 55.97 55.13 1zy5 s LYS 837 Cb -0.35 0.49 0.74 0.00 -2.06 0.00 0.00 37.83 36.65 1zy5 s LYS 837 CO 0.29 -0.54 1.70 -1.35 0.10 0.00 0.00 175.35 175.56 1zy5 h PRO 838 N 2.00 0.41 0.00 1.78 0.11 -1.94 0.26 132.00 134.63 1zy5 h PRO 838 Ca -0.26 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1zy5 h PRO 838 Cb 1.26 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1zy5 h PRO 838 CO 0.31 0.27 0.00 -1.33 -0.21 0.00 0.00 178.00 177.05 1zy5 n MET 839 N -5.02 0.12 -0.14 1.05 2.81 -1.26 -1.86 117.12 112.82 1zy5 n MET 839 Ca 0.22 0.44 0.10 0.00 -1.81 0.00 0.00 57.70 56.65 1zy5 n MET 839 Cb 0.65 -1.77 0.17 0.00 -0.71 0.00 0.00 33.22 31.56 1zy5 n MET 839 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1zy5 n ASN 840 N -2.00 3.10 -4.15 7.83 5.03 0.07 -4.76 115.26 120.38 1zy5 n ASN 840 Ca 0.01 -1.91 -0.38 0.00 0.87 0.00 0.00 54.58 53.17 1zy5 n ASN 840 Cb 0.15 -0.18 -0.09 0.00 -1.02 0.00 0.00 39.78 38.64 1zy5 n ASN 840 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1zy5 s ILE 841 N -1.37 3.91 0.58 2.41 1.01 -0.78 -0.85 121.20 126.10 1zy5 s ILE 841 Ca 0.31 -2.38 -0.16 0.00 0.00 0.00 0.00 60.65 58.43 1zy5 s ILE 841 Cb 0.19 -3.57 -0.04 0.00 0.01 0.00 0.00 42.46 39.04 1zy5 s ILE 841 CO 0.26 -0.82 1.04 -0.36 0.00 0.00 0.00 174.94 175.07 1zy5 s PHE 842 N 0.64 3.07 -0.17 3.97 0.40 0.22 -0.60 117.98 125.52 1zy5 s PHE 842 Ca 0.12 1.50 0.01 0.00 -0.60 0.00 0.00 56.93 57.96 1zy5 s PHE 842 Cb -0.21 -2.97 0.03 0.00 0.51 0.00 0.00 43.02 40.37 1zy5 s PHE 842 CO -0.03 -0.98 -0.13 0.42 0.70 0.00 0.00 175.22 175.19 1zy5 s ILE 843 N -2.48 1.62 0.56 0.64 -1.09 -0.76 -0.51 121.20 119.17 1zy5 s ILE 843 Ca 0.63 -0.76 -0.07 0.00 -2.23 0.00 0.00 60.65 58.21 1zy5 s ILE 843 Cb -0.15 -1.57 0.12 0.00 -1.58 0.00 0.00 42.46 39.28 1zy5 s ILE 843 CO 0.36 0.38 0.76 -0.90 -1.23 0.00 0.00 174.94 174.31 1zy5 n ASP 844 N 4.74 0.30 0.01 3.58 3.85 -0.42 -4.21 116.55 124.39 1zy5 n ASP 844 Ca -0.16 -1.42 0.06 0.00 -0.71 0.00 0.00 54.79 52.56 1zy5 n ASP 844 Cb 0.49 -0.56 0.28 0.00 -1.35 0.00 0.00 41.12 39.98 1zy5 n ASP 844 CO 0.00 0.00 0.00 -1.84 -1.01 0.00 0.00 177.20 174.35 1zy5 n GLU 845 N -2.56 0.01 -0.35 0.11 0.28 -1.26 -0.51 120.64 116.37 1zy5 n GLU 845 Ca 0.10 0.30 0.12 0.00 -0.16 0.00 0.00 57.16 57.52 1zy5 n GLU 845 Cb 0.36 -1.53 0.31 0.00 1.43 0.00 0.00 31.44 32.01 1zy5 n GLU 845 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 1zy5 n SER 846 N -1.56 3.89 -2.34 -1.84 7.64 -1.26 -4.93 113.62 113.22 1zy5 n SER 846 Ca 0.03 -2.00 -0.20 0.00 1.01 0.00 0.00 58.87 57.71 1zy5 n SER 846 Cb 0.15 -0.46 -0.01 0.00 -1.01 0.00 0.00 64.21 62.88 1zy5 n SER 846 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1zy5 n ARG 847 N 1.64 -1.83 -4.02 1.43 1.74 0.34 -5.00 116.66 110.96 1zy5 n ARG 847 Ca 0.24 0.97 -0.32 0.00 -0.77 0.00 0.00 57.85 57.97 1zy5 n ARG 847 Cb 0.62 -5.61 -0.06 0.00 -1.02 0.00 0.00 32.46 26.40 1zy5 n ARG 847 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 1zy5 s ASN 848 N -2.13 5.88 0.58 0.55 0.01 -1.26 -4.82 114.94 113.75 1zy5 s ASN 848 Ca 0.02 0.17 -0.14 0.00 -0.71 0.00 0.00 52.86 52.20 1zy5 s ASN 848 Cb -0.01 -1.72 -0.05 0.00 0.41 0.00 0.00 41.25 39.88 1zy5 s ASN 848 CO 0.02 0.23 1.02 0.68 -1.51 0.00 0.00 177.10 177.54 1zy5 s VAL 849 N -1.31 4.49 -0.23 1.60 -7.23 -1.26 -1.30 120.40 115.15 1zy5 s VAL 849 Ca 0.27 1.00 -0.03 0.00 -1.81 0.00 0.00 61.98 61.41 1zy5 s VAL 849 Cb -0.12 -3.72 0.10 0.00 0.56 0.00 0.00 36.38 33.20 1zy5 s VAL 849 CO 0.19 -0.87 0.20 -0.54 -0.31 0.00 0.00 175.10 173.77 1zy5 s LYS 850 N -4.59 0.20 0.02 4.82 1.02 0.34 -4.31 119.74 117.23 1zy5 s LYS 850 Ca 0.58 -0.06 -0.30 0.00 0.02 0.00 0.00 55.97 56.21 1zy5 s LYS 850 Cb -0.11 -1.17 -0.04 0.00 -0.52 0.00 0.00 37.83 35.98 1zy5 s LYS 850 CO 0.43 -0.81 1.15 0.42 -0.92 0.00 0.00 175.35 175.61 1zy5 s ILE 851 N 2.26 4.28 0.00 2.17 1.01 -0.42 -0.61 121.20 129.89 1zy5 s ILE 851 Ca 0.07 1.63 0.00 0.00 0.00 0.00 0.00 60.65 62.35 1zy5 s ILE 851 Cb -0.15 -4.05 0.00 0.00 0.01 0.00 0.00 42.46 38.27 1zy5 s ILE 851 CO -0.21 0.10 0.00 0.61 0.00 0.00 0.00 174.94 175.44 1zy5 n GLY 852 N 3.18 3.89 3.68 6.18 0.00 -0.03 -0.99 105.19 121.09 1zy5 n GLY 852 Ca 0.09 -1.52 -0.22 0.00 0.00 0.00 0.00 46.02 44.36 1zy5 n GLY 852 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1zy5 n ASP 853 N -2.28 -1.88 -4.66 1.61 4.64 -1.26 -4.79 116.55 107.92 1zy5 n ASP 853 Ca 0.00 -0.84 -0.42 0.00 -1.38 0.00 0.00 54.79 52.15 1zy5 n ASP 853 Cb 0.00 -4.02 0.01 0.00 -1.04 0.00 0.00 41.12 36.06 1zy5 n ASP 853 CO 0.00 0.00 0.00 0.49 -0.82 0.00 0.00 177.20 176.87 1zy5 n PHE 854 N -4.20 1.80 -2.51 -0.67 3.01 -1.26 -4.85 117.46 108.78 1zy5 n PHE 854 Ca -0.27 0.54 -0.42 0.00 1.01 0.00 0.00 57.45 58.31 1zy5 n PHE 854 Cb 0.67 -2.33 -0.03 0.00 -0.01 0.00 0.00 39.48 37.78 1zy5 n PHE 854 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 1zy5 s GLY 855 N -0.56 2.05 -0.09 1.37 0.00 0.11 -4.92 107.32 105.27 1zy5 s GLY 855 Ca 0.61 0.52 0.17 0.00 0.00 0.00 0.00 44.72 46.01 1zy5 s GLY 855 CO 0.58 2.21 1.50 1.04 0.00 0.00 0.00 173.10 178.43 1zy5 n LEU 856 N 5.47 4.12 -4.28 0.66 4.77 -1.26 -4.76 117.00 121.71 1zy5 n LEU 856 Ca 0.11 -2.40 -0.40 0.00 -0.03 0.00 0.00 56.01 53.29 1zy5 n LEU 856 Cb 0.46 -0.48 -0.10 0.00 -2.33 0.00 0.00 43.42 40.97 1zy5 n LEU 856 CO 0.55 0.79 -0.11 0.00 -1.33 0.00 0.00 177.39 177.28 1zy5 s ALA 857 N -1.73 3.28 0.23 -1.18 0.00 -1.26 -4.96 121.76 116.13 1zy5 s ALA 857 Ca 0.43 -2.11 -0.07 0.00 0.00 0.00 0.00 51.96 50.21 1zy5 s ALA 857 Cb 0.28 -2.64 0.33 0.00 0.00 0.00 0.00 23.12 21.09 1zy5 s ALA 857 CO 0.21 -1.62 1.80 -0.22 0.00 0.00 0.00 175.76 175.92 1zy5 h LYS 858 N 8.40 0.67 -5.38 0.00 3.64 -1.98 -3.22 116.57 118.69 1zy5 h LYS 858 Ca -0.23 -0.04 -0.67 0.00 -1.27 0.00 0.00 60.65 58.44 1zy5 h LYS 858 Cb 1.08 -0.15 -0.15 0.00 -0.41 0.00 0.00 32.23 32.61 1zy5 h LYS 858 CO 0.75 0.44 1.20 -0.80 -2.27 0.00 0.00 179.45 178.77 1zy5 s ASN 859 N -5.56 6.66 0.28 4.20 0.01 -1.26 -4.81 114.94 114.46 1zy5 s ASN 859 Ca -0.13 -2.01 -0.02 0.00 -0.71 0.00 0.00 52.86 49.99 1zy5 s ASN 859 Cb 0.18 -2.46 0.40 0.00 0.41 0.00 0.00 41.25 39.77 1zy5 s ASN 859 CO 0.77 -1.17 1.89 0.58 -1.51 0.00 0.00 177.10 177.66 1zy5 h VAL 860 N 5.96 1.22 -0.10 1.60 2.07 -1.95 0.88 116.25 125.94 1zy5 h VAL 860 Ca 0.21 -0.61 0.00 0.00 0.82 0.00 0.00 66.70 67.12 1zy5 h VAL 860 Cb 0.99 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 1zy5 h VAL 860 CO 1.25 0.26 0.00 0.00 0.02 0.00 0.00 177.57 179.10 1zy5 n HIS 861 N -4.34 0.30 0.00 1.57 -0.00 -1.26 -5.12 115.22 106.37 1zy5 n HIS 861 Ca 0.07 -0.11 0.00 0.00 -0.00 0.00 0.00 57.72 57.68 1zy5 n HIS 861 Cb 0.13 -0.13 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 1zy5 n HIS 861 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 1zy5 n ARG 862 N 0.05 0.00 0.00 -1.40 1.74 0.30 -5.12 116.66 112.23 1zy5 n ARG 862 Ca 0.04 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.12 1zy5 n ARG 862 Cb 0.34 -0.31 0.00 0.00 -1.02 0.00 0.00 32.46 31.47 1zy5 n ARG 862 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1zy5 n ALA 888 N 0.00 2.08 0.56 7.54 0.00 -1.26 -4.81 120.51 124.62 1zy5 n ALA 888 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.53 1zy5 n ALA 888 Cb 0.00 0.08 0.37 0.00 0.00 0.00 0.00 19.45 19.90 1zy5 n ALA 888 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1zy5 n MET 889 N -1.73 0.03 0.00 0.00 1.56 -1.26 -3.16 117.12 112.55 1zy5 n MET 889 Ca 0.00 0.24 0.09 0.00 -0.27 0.00 0.00 57.70 57.76 1zy5 n MET 889 Cb 0.08 -1.55 -0.08 0.00 2.15 0.00 0.00 33.22 33.81 1zy5 n MET 889 CO 0.00 0.00 0.00 0.66 -0.73 0.00 0.00 175.97 175.90 1zy5 n TYR 890 N -1.60 0.00 -2.21 1.12 4.02 -1.26 -4.98 117.16 112.25 1zy5 n TYR 890 Ca 0.04 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.51 1zy5 n TYR 890 Cb 0.20 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.49 1zy5 n TYR 890 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 1zy5 s VAL 891 N -2.65 3.32 0.46 -0.72 1.01 -1.19 -3.80 120.40 116.83 1zy5 s VAL 891 Ca 0.09 1.01 -0.24 0.00 0.00 0.00 0.00 61.98 62.83 1zy5 s VAL 891 Cb 0.14 -3.64 -0.08 0.00 0.00 0.00 0.00 36.38 32.81 1zy5 s VAL 891 CO 0.71 0.11 1.35 0.00 0.00 0.00 0.00 175.10 177.27 1zy5 s ALA 892 N 0.63 3.13 0.36 5.51 0.00 -1.26 -4.92 121.76 125.20 1zy5 s ALA 892 Ca 0.60 1.32 0.04 0.00 0.00 0.00 0.00 51.96 53.92 1zy5 s ALA 892 Cb -0.36 -3.53 0.69 0.00 0.00 0.00 0.00 23.12 19.91 1zy5 s ALA 892 CO 0.34 -1.07 2.01 1.79 0.00 0.00 0.00 175.76 178.82 1zy5 h THR 893 N 2.12 1.12 0.00 0.00 1.35 -1.93 -2.39 112.91 113.18 1zy5 h THR 893 Ca -0.50 -0.27 0.00 0.00 -0.55 0.00 0.00 66.41 65.08 1zy5 h THR 893 Cb 1.27 0.25 0.00 0.00 -1.73 0.00 0.00 68.15 67.94 1zy5 h THR 893 CO 0.61 0.15 0.00 1.05 -0.25 0.00 0.00 175.52 177.07 1zy5 h GLU 894 N 0.80 0.00 -0.06 4.72 9.09 -1.91 -2.50 114.58 124.71 1zy5 h GLU 894 Ca 0.24 0.00 -0.17 0.00 0.05 0.00 0.00 59.36 59.48 1zy5 h GLU 894 Cb -0.01 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.08 1zy5 h GLU 894 CO -0.06 0.00 -0.69 0.28 0.05 0.00 0.00 179.01 178.59 1zy5 h VAL 895 N 0.00 1.40 0.00 -1.06 2.07 -1.79 -3.20 116.25 113.67 1zy5 h VAL 895 Ca 0.00 -2.13 0.00 0.00 0.82 0.00 0.00 66.70 65.39 1zy5 h VAL 895 Cb 0.32 2.11 0.00 0.00 -1.52 0.00 0.00 31.29 32.20 1zy5 h VAL 895 CO 0.00 0.63 0.00 0.18 0.02 0.00 0.00 177.57 178.40 1zy5 n LEU 896 N -3.83 0.43 -0.01 2.57 4.77 -0.95 -4.35 117.00 115.64 1zy5 n LEU 896 Ca -0.03 0.03 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1zy5 n LEU 896 Cb 0.68 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.77 1zy5 n LEU 896 CO 0.46 0.00 0.00 0.47 -1.33 0.00 0.00 177.39 176.99 1zy5 n ASP 897 N -0.10 0.00 0.00 -1.43 8.00 -1.20 -4.65 116.55 117.17 1zy5 n ASP 897 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1zy5 n ASP 897 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1zy5 n ASP 897 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1zy5 n GLY 898 N -0.40 0.93 0.79 0.44 0.00 -1.21 -5.07 105.19 100.67 1zy5 n GLY 898 Ca 0.00 -0.27 -0.06 0.00 0.00 0.00 0.00 46.02 45.69 1zy5 n GLY 898 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1zy5 n THR 899 N 0.00 0.73 0.00 2.61 -1.04 -1.26 -5.01 114.28 110.30 1zy5 n THR 899 Ca 0.00 0.06 0.00 0.00 -2.04 0.00 0.00 64.05 62.07 1zy5 n THR 899 Cb 0.00 -1.67 0.00 0.00 -1.82 0.00 0.00 70.33 66.84 1zy5 n THR 899 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1zy5 n GLY 900 N 2.70 -0.15 3.62 3.41 0.00 -1.26 -5.12 105.19 108.39 1zy5 n GLY 900 Ca -0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.51 1zy5 n GLY 900 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1zy5 s HIS 901 N 0.00 3.28 0.18 1.61 3.76 -1.26 -5.00 115.29 117.85 1zy5 s HIS 901 Ca 0.00 0.79 -0.12 0.00 -0.15 0.00 0.00 55.06 55.58 1zy5 s HIS 901 Cb 0.00 -2.82 0.00 0.00 1.11 0.00 0.00 32.58 30.87 1zy5 s HIS 901 CO 0.00 -0.32 0.37 1.52 -0.85 0.00 0.00 174.74 175.47 1zy5 s TYR 902 N 2.47 0.22 0.00 1.40 -0.85 -1.26 -4.95 117.35 114.38 1zy5 s TYR 902 Ca 0.25 -0.58 0.00 0.00 -0.52 0.00 0.00 57.07 56.23 1zy5 s TYR 902 Cb -0.16 0.11 0.00 0.00 0.38 0.00 0.00 41.96 42.29 1zy5 s TYR 902 CO 0.09 -0.80 0.00 0.27 -1.52 0.00 0.00 175.55 173.59 1zy5 n ASN 903 N -0.26 1.25 0.14 -0.18 0.23 -1.26 -5.02 115.26 110.16 1zy5 n ASN 903 Ca -0.08 -0.35 0.11 0.00 -0.53 0.00 0.00 54.58 53.73 1zy5 n ASN 903 Cb 0.63 0.00 0.51 0.00 -2.08 0.00 0.00 39.78 38.83 1zy5 n ASN 903 CO 0.00 0.00 0.00 -1.84 -0.93 0.00 0.00 177.26 174.49 1zy5 n GLU 904 N 0.00 0.15 0.13 -3.83 0.00 -1.26 -2.59 120.64 113.24 1zy5 n GLU 904 Ca 0.00 0.53 0.11 0.00 0.00 0.00 0.00 57.16 57.80 1zy5 n GLU 904 Cb 0.00 -1.88 0.51 0.00 0.00 0.00 0.00 31.44 30.06 1zy5 n GLU 904 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1zy5 n LYS 905 N -2.18 0.16 0.20 3.44 4.76 -1.26 -1.47 118.16 121.81 1zy5 n LYS 905 Ca 0.00 0.50 0.05 0.00 -2.87 0.00 0.00 58.31 55.99 1zy5 n LYS 905 Cb 0.11 -1.88 0.40 0.00 -1.84 0.00 0.00 35.03 31.83 1zy5 n LYS 905 CO 0.00 0.00 0.00 -0.84 -1.37 0.00 0.00 177.40 175.19 1zy5 h ILE 906 N 0.00 1.08 -0.16 -0.18 3.07 -1.91 -1.54 117.51 117.86 1zy5 h ILE 906 Ca 0.00 -1.25 -0.17 0.00 1.55 0.00 0.00 64.86 64.99 1zy5 h ILE 906 Cb 0.21 1.71 -0.01 0.00 -0.27 0.00 0.00 36.82 38.47 1zy5 h ILE 906 CO 0.00 0.34 -0.59 0.44 -1.05 0.00 0.00 178.15 177.29 1zy5 h ASP 907 N 0.00 0.59 -0.16 2.16 3.45 -1.51 -2.19 116.42 118.76 1zy5 h ASP 907 Ca -0.00 -0.33 -0.08 0.00 0.43 0.00 0.00 57.03 57.04 1zy5 h ASP 907 Cb 0.68 -0.17 -0.02 0.00 -0.56 0.00 0.00 39.33 39.26 1zy5 h ASP 907 CO 0.04 1.05 -0.16 0.24 -1.57 0.00 0.00 179.24 178.84 1zy5 h MET 908 N 0.40 0.56 0.06 3.56 2.86 -1.42 -1.01 114.93 119.94 1zy5 h MET 908 Ca -0.00 -0.18 -0.00 0.00 -2.06 0.00 0.00 59.70 57.46 1zy5 h MET 908 Cb 1.13 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.75 1zy5 h MET 908 CO 0.11 0.70 -0.03 -0.92 1.06 0.00 0.00 176.91 177.82 1zy5 h TYR 909 N 0.51 -0.08 -0.87 -0.22 3.20 -1.13 -1.94 116.97 116.44 1zy5 h TYR 909 Ca 0.09 -0.00 0.13 0.00 3.14 0.00 0.00 58.73 62.08 1zy5 h TYR 909 Cb 0.57 0.03 -0.09 0.00 1.54 0.00 0.00 36.73 38.78 1zy5 h TYR 909 CO 0.02 0.18 0.49 0.77 -1.64 0.00 0.00 178.16 177.98 1zy5 h SER 910 N -0.34 0.65 -0.38 -2.11 0.02 -1.15 -0.41 113.55 109.84 1zy5 h SER 910 Ca -0.01 0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 61.00 1zy5 h SER 910 Cb 0.30 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.77 1zy5 h SER 910 CO 0.01 0.32 0.20 0.25 -1.14 0.00 0.00 176.83 176.48 1zy5 h LEU 911 N 0.75 0.52 -0.55 5.07 5.85 -0.87 -0.92 115.31 125.16 1zy5 h LEU 911 Ca 0.45 -0.04 -0.03 0.00 0.84 0.00 0.00 57.88 59.10 1zy5 h LEU 911 Cb 0.53 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.41 1zy5 h LEU 911 CO -0.31 0.45 0.23 1.23 -0.34 0.00 0.00 178.44 179.70 1zy5 h GLY 912 N 0.70 0.88 0.95 3.75 0.00 -0.29 0.13 103.07 109.19 1zy5 h GLY 912 Ca 0.15 -0.47 -0.05 0.00 0.00 0.00 0.00 47.33 46.96 1zy5 h GLY 912 CO -0.02 0.45 0.06 -2.22 0.00 0.00 0.00 176.54 174.81 1zy5 h ILE 913 N 0.75 1.24 -0.38 2.60 1.08 -1.21 -1.58 117.51 120.02 1zy5 h ILE 913 Ca 0.19 -0.88 0.00 0.00 -0.39 0.00 0.00 64.86 63.78 1zy5 h ILE 913 Cb 0.18 1.01 -0.02 0.00 -3.07 0.00 0.00 36.82 34.93 1zy5 h ILE 913 CO -0.02 0.31 0.25 0.40 -0.69 0.00 0.00 178.15 178.40 1zy5 h ILE 914 N 0.55 1.10 -0.75 -0.67 2.04 -0.84 -1.89 117.51 117.04 1zy5 h ILE 914 Ca 0.13 -0.17 -0.06 0.00 1.00 0.00 0.00 64.86 65.76 1zy5 h ILE 914 Cb 0.38 0.54 -0.03 0.00 -0.74 0.00 0.00 36.82 36.97 1zy5 h ILE 914 CO 0.01 0.09 0.24 0.15 0.00 0.00 0.00 178.15 178.65 1zy5 h PHE 915 N 0.51 1.19 -0.61 1.37 3.57 -0.62 -0.82 116.94 121.53 1zy5 h PHE 915 Ca 0.14 -0.12 0.07 0.00 3.53 0.00 0.00 57.97 61.60 1zy5 h PHE 915 Cb -0.06 -0.35 -0.06 0.00 2.79 0.00 0.00 35.95 38.27 1zy5 h PHE 915 CO -0.05 0.93 0.29 0.35 -2.23 0.00 0.00 178.31 177.60 1zy5 h PHE 916 N 1.11 0.52 0.00 0.41 3.57 -0.94 -0.60 116.94 121.01 1zy5 h PHE 916 Ca 0.24 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.72 1zy5 h PHE 916 Cb 0.29 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.89 1zy5 h PHE 916 CO 0.02 0.20 -0.22 0.93 -2.23 0.00 0.00 178.31 177.01 1zy5 h GLU 917 N 0.52 0.00 0.00 1.11 5.08 -0.52 0.46 114.58 121.23 1zy5 h GLU 917 Ca 0.29 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.62 1zy5 h GLU 917 Cb 0.28 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.52 1zy5 h GLU 917 CO -0.24 0.22 -0.16 0.52 -1.00 0.00 0.00 179.01 178.36 1zy5 h MET 918 N 0.00 0.00 0.00 2.33 2.86 0.27 -3.32 114.93 117.06 1zy5 h MET 918 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1zy5 h MET 918 Cb 0.46 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.12 1zy5 h MET 918 CO 0.03 0.16 -0.42 0.44 1.06 0.00 0.00 176.91 178.18 1zy5 n ILE 919 N -3.21 0.00 -3.93 -1.22 -5.35 -0.92 -3.03 119.36 101.71 1zy5 n ILE 919 Ca 0.02 -0.32 -0.31 0.00 -0.27 0.00 0.00 62.75 61.87 1zy5 n ILE 919 Cb 0.49 0.93 -0.15 0.00 -1.74 0.00 0.00 39.64 39.17 1zy5 n ILE 919 CO 0.00 0.00 0.00 -0.47 -1.76 0.00 0.00 176.55 174.32 1zy5 s TYR 920 N -1.72 2.75 0.39 4.28 5.04 0.11 -4.77 117.35 123.43 1zy5 s TYR 920 Ca 0.02 -2.19 -0.24 0.00 -2.44 0.00 0.00 57.07 52.22 1zy5 s TYR 920 Cb 0.05 -2.06 -0.09 0.00 0.35 0.00 0.00 41.96 40.20 1zy5 s TYR 920 CO 0.28 -0.86 1.03 -1.25 -1.34 0.00 0.00 175.55 173.40 1zy5 s PRO 921 N 1.26 4.21 -0.09 4.97 0.04 -1.26 -4.61 135.00 139.53 1zy5 s PRO 921 Ca 0.03 1.45 -0.01 0.00 0.04 0.00 0.00 61.00 62.51 1zy5 s PRO 921 Cb -0.19 -2.53 -0.03 0.00 0.04 0.00 0.00 34.50 31.79 1zy5 s PRO 921 CO -0.11 -0.08 -0.04 -0.06 0.04 0.00 0.00 177.00 176.75 1zy5 s PHE 922 N -1.71 3.02 0.11 0.56 0.40 -1.26 -5.00 117.98 114.10 1zy5 s PHE 922 Ca 0.57 -0.01 0.09 0.00 -0.60 0.00 0.00 56.93 56.99 1zy5 s PHE 922 Cb -0.20 -1.79 -0.01 0.00 0.51 0.00 0.00 43.02 41.52 1zy5 s PHE 922 CO 0.26 0.28 1.39 0.66 0.70 0.00 0.00 175.22 178.51 1zy5 h SER 923 N 5.58 0.00 -5.18 1.36 4.64 -1.97 -3.47 113.55 114.51 1zy5 h SER 923 Ca -0.45 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 60.76 1zy5 h SER 923 Cb 1.18 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.12 1zy5 h SER 923 CO 0.55 0.82 -0.57 0.42 -0.87 0.00 0.00 176.83 177.19 1zy5 s THR 924 N -2.96 0.18 0.35 2.95 -4.23 -1.26 -5.02 115.64 105.65 1zy5 s THR 924 Ca 0.01 -1.47 0.02 0.00 -1.18 0.00 0.00 61.69 59.07 1zy5 s THR 924 Cb 0.10 -1.30 0.25 0.00 1.34 0.00 0.00 72.50 72.89 1zy5 s THR 924 CO 0.79 -0.81 1.99 1.23 -0.54 0.00 0.00 174.62 177.28 1zy5 h GLY 925 N 3.20 0.84 1.48 3.99 0.00 -2.00 -0.79 103.07 109.79 1zy5 h GLY 925 Ca -0.34 -0.34 -0.19 0.00 0.00 0.00 0.00 47.33 46.47 1zy5 h GLY 925 CO 0.59 0.33 -0.70 -0.33 0.00 0.00 0.00 176.54 176.44 1zy5 h MET 926 N 0.80 0.52 -0.78 4.80 2.86 -2.00 -2.69 114.93 118.45 1zy5 h MET 926 Ca 0.21 -0.40 -0.01 0.00 -2.06 0.00 0.00 59.70 57.44 1zy5 h MET 926 Cb -0.04 0.08 -0.04 0.00 0.06 0.00 0.00 31.60 31.66 1zy5 h MET 926 CO -0.04 1.03 0.44 1.49 1.06 0.00 0.00 176.91 180.89 1zy5 h GLU 927 N 0.37 1.07 0.19 1.72 4.81 -1.70 -2.34 114.58 118.70 1zy5 h GLU 927 Ca -0.03 -0.11 -0.01 0.00 -0.13 0.00 0.00 59.36 59.09 1zy5 h GLU 927 Cb 1.27 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 30.44 1zy5 h GLU 927 CO 0.13 0.77 -0.09 -0.09 -0.73 0.00 0.00 179.01 178.99 1zy5 h ARG 928 N 1.08 -0.25 -0.53 1.92 2.43 -1.02 -2.29 114.38 115.72 1zy5 h ARG 928 Ca 0.28 0.02 0.07 0.00 -0.81 0.00 0.00 59.98 59.54 1zy5 h ARG 928 Cb -0.00 0.06 -0.06 0.00 -0.42 0.00 0.00 29.97 29.54 1zy5 h ARG 928 CO -0.05 0.03 0.21 0.28 -1.51 0.00 0.00 179.97 178.93 1zy5 h VAL 929 N -0.53 0.83 -0.00 0.20 2.07 -1.36 -0.64 116.25 116.82 1zy5 h VAL 929 Ca -0.03 -0.14 -0.00 0.00 0.82 0.00 0.00 66.70 67.36 1zy5 h VAL 929 Cb 0.40 0.40 -0.00 0.00 -1.52 0.00 0.00 31.29 30.57 1zy5 h VAL 929 CO 0.04 0.07 0.00 0.78 0.02 0.00 0.00 177.57 178.49 1zy5 h ASN 930 N 0.40 0.01 -0.62 0.57 -0.26 -1.43 0.16 115.58 114.41 1zy5 h ASN 930 Ca 0.26 -0.11 -0.03 0.00 -0.56 0.00 0.00 56.30 55.85 1zy5 h ASN 930 Cb 0.27 -0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 37.50 1zy5 h ASN 930 CO -0.25 0.12 0.25 0.40 -1.06 0.00 0.00 177.43 176.89 1zy5 h ILE 931 N -0.11 1.23 0.00 2.81 2.04 -1.22 -2.36 117.51 119.90 1zy5 h ILE 931 Ca 0.00 -0.71 -0.11 0.00 1.00 0.00 0.00 64.86 65.04 1zy5 h ILE 931 Cb 0.11 0.54 -0.02 0.00 -0.74 0.00 0.00 36.82 36.72 1zy5 h ILE 931 CO -0.00 0.28 -0.53 -0.07 0.00 0.00 0.00 178.15 177.83 1zy5 h LEU 932 N 0.86 0.00 -0.68 1.44 3.38 -1.02 -1.57 115.31 117.73 1zy5 h LEU 932 Ca 0.21 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.09 1zy5 h LEU 932 Cb 0.20 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 1zy5 h LEU 932 CO -0.02 0.53 0.03 0.11 0.09 0.00 0.00 178.44 179.18 1zy5 h LYS 933 N 0.00 1.05 -0.37 1.13 1.57 -0.35 -0.61 116.57 118.98 1zy5 h LYS 933 Ca -0.01 -0.31 -0.07 0.00 -1.87 0.00 0.00 60.65 58.40 1zy5 h LYS 933 Cb 0.99 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.18 1zy5 h LYS 933 CO 0.07 1.01 -0.03 0.87 -0.57 0.00 0.00 179.45 180.80 1zy5 h LYS 934 N 0.97 0.68 -0.58 3.15 1.79 -1.14 -0.64 116.57 120.79 1zy5 h LYS 934 Ca 0.18 -0.23 -0.01 0.00 -2.18 0.00 0.00 60.65 58.40 1zy5 h LYS 934 Cb 0.52 -0.05 -0.03 0.00 -1.58 0.00 0.00 32.23 31.08 1zy5 h LYS 934 CO 0.02 0.80 0.32 -0.07 -1.08 0.00 0.00 179.45 179.44 1zy5 h LEU 935 N 0.49 0.71 -0.05 2.94 3.38 -1.00 -1.88 115.31 119.89 1zy5 h LEU 935 Ca 0.10 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 1zy5 h LEU 935 Cb 0.51 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 1zy5 h LEU 935 CO 0.03 0.57 -0.12 0.03 0.09 0.00 0.00 178.44 179.04 1zy5 h ARG 936 N 0.80 0.00 -7.23 1.13 3.08 -0.87 -3.37 114.38 107.92 1zy5 h ARG 936 Ca 0.21 0.00 -0.46 0.00 0.07 0.00 0.00 59.98 59.79 1zy5 h ARG 936 Cb 0.02 0.00 0.19 0.00 0.08 0.00 0.00 29.97 30.26 1zy5 h ARG 936 CO -0.03 0.12 0.12 -1.54 -1.07 0.00 0.00 179.97 177.56 1zy5 s SER 937 N -6.25 2.00 0.27 7.04 1.04 -0.27 -4.83 113.70 112.70 1zy5 s SER 937 Ca 0.06 1.60 -0.01 0.00 0.48 0.00 0.00 55.95 58.07 1zy5 s SER 937 Cb 0.06 -2.27 0.59 0.00 0.10 0.00 0.00 66.02 64.49 1zy5 s SER 937 CO 0.68 -3.58 1.67 0.58 0.98 0.00 0.00 173.24 173.58 1zy5 h VAL 938 N -2.19 0.42 0.00 5.02 2.07 -1.90 0.35 116.25 120.02 1zy5 h VAL 938 Ca -0.55 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 66.88 1zy5 h VAL 938 Cb 1.31 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 31.22 1zy5 h VAL 938 CO 0.50 0.05 0.00 -1.54 0.02 0.00 0.00 177.57 176.60 1zy5 n SER 939 N -5.18 0.19 -3.86 0.57 3.41 -1.26 -4.92 113.62 102.57 1zy5 n SER 939 Ca 0.18 0.54 -0.36 0.00 -0.26 0.00 0.00 58.87 58.96 1zy5 n SER 939 Cb 0.57 -0.58 0.03 0.00 -0.26 0.00 0.00 64.21 63.96 1zy5 n SER 939 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 1zy5 n ILE 940 N -1.70 -4.24 -2.89 -1.33 5.41 0.11 -4.86 119.36 109.87 1zy5 n ILE 940 Ca 0.04 -0.63 -0.41 0.00 1.00 0.00 0.00 62.75 62.75 1zy5 n ILE 940 Cb 0.23 -3.31 -0.04 0.00 -0.71 0.00 0.00 39.64 35.82 1zy5 n ILE 940 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 1zy5 s GLU 941 N -6.38 4.29 0.26 0.38 2.02 -0.88 -4.88 118.70 113.52 1zy5 s GLU 941 Ca 0.40 1.01 -0.12 0.00 0.02 0.00 0.00 54.97 56.28 1zy5 s GLU 941 Cb -0.19 -3.58 -0.08 0.00 0.10 0.00 0.00 34.13 30.39 1zy5 s GLU 941 CO 0.91 -0.34 0.62 -0.06 0.02 0.00 0.00 175.26 176.42 1zy5 s PHE 942 N 2.19 3.42 0.39 1.61 0.08 -1.26 -3.18 117.98 121.24 1zy5 s PHE 942 Ca 0.38 1.02 -0.27 0.00 0.12 0.00 0.00 56.93 58.19 1zy5 s PHE 942 Cb -0.16 -2.38 -0.09 0.00 -0.57 0.00 0.00 43.02 39.82 1zy5 s PHE 942 CO 0.12 0.21 1.34 -1.25 -0.10 0.00 0.00 175.22 175.54 1zy5 s PRO 943 N -2.82 4.05 0.34 0.24 0.04 -1.26 -4.90 135.00 130.69 1zy5 s PRO 943 Ca 0.49 2.25 0.14 0.00 0.04 0.00 0.00 61.00 63.92 1zy5 s PRO 943 Cb -0.11 -2.85 1.03 0.00 0.04 0.00 0.00 34.50 32.61 1zy5 s PRO 943 CO 0.20 -0.46 1.70 -1.00 0.04 0.00 0.00 177.00 177.48 1zy5 h PRO 944 N 2.85 0.41 -0.87 0.56 0.13 -2.03 -1.23 132.00 131.82 1zy5 h PRO 944 Ca -0.50 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 64.59 1zy5 h PRO 944 Cb 1.24 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 32.27 1zy5 h PRO 944 CO 0.63 0.27 0.03 -0.40 -0.23 0.00 0.00 178.00 178.30 1zy5 n ASP 945 N -4.92 2.76 -4.71 1.44 3.85 -1.26 -4.88 116.55 108.83 1zy5 n ASP 945 Ca 0.29 -2.36 -0.42 0.00 -0.71 0.00 0.00 54.79 51.59 1zy5 n ASP 945 Cb 0.90 -0.57 -0.03 0.00 -1.35 0.00 0.00 41.12 40.07 1zy5 n ASP 945 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.20 176.31 1zy5 s PHE 946 N -1.57 3.08 -0.97 2.11 5.36 -0.47 -4.89 117.98 120.62 1zy5 s PHE 946 Ca 0.20 0.84 -0.24 0.00 -0.96 0.00 0.00 56.93 56.76 1zy5 s PHE 946 Cb 0.15 -3.73 -0.00 0.00 -0.34 0.00 0.00 43.02 39.10 1zy5 s PHE 946 CO 0.05 -2.64 1.71 0.34 -1.46 0.00 0.00 175.22 173.23 1zy5 s ASP 947 N 1.37 5.80 0.40 6.13 -1.08 -1.26 -4.82 116.67 123.22 1zy5 s ASP 947 Ca 0.66 -1.10 0.08 0.00 -0.52 0.00 0.00 52.55 51.67 1zy5 s ASP 947 Cb -0.37 -2.57 0.84 0.00 -1.46 0.00 0.00 42.92 39.37 1zy5 s ASP 947 CO 0.30 -2.15 2.00 0.44 0.52 0.00 0.00 175.17 176.28 1zy5 h ASP 948 N 10.47 0.35 0.05 -0.34 3.32 -1.90 -2.25 116.42 126.12 1zy5 h ASP 948 Ca 0.16 -0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.17 1zy5 h ASP 948 Cb 1.00 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.46 1zy5 h ASP 948 CO 1.32 0.35 -0.02 0.78 -1.72 0.00 0.00 179.24 179.95 1zy5 h ASN 949 N 0.39 -0.05 1.27 6.45 2.35 -2.00 -3.05 115.58 120.93 1zy5 h ASN 949 Ca 0.09 -0.27 -0.10 0.00 -0.55 0.00 0.00 56.30 55.47 1zy5 h ASN 949 Cb 0.13 0.01 -0.02 0.00 0.05 0.00 0.00 38.32 38.50 1zy5 h ASN 949 CO -0.01 0.24 -0.77 0.50 -1.65 0.00 0.00 177.43 175.75 1zy5 h LYS 950 N -0.35 0.00 -1.37 0.81 3.64 -1.98 -3.37 116.57 113.94 1zy5 h LYS 950 Ca -0.01 0.00 -0.58 0.00 -1.27 0.00 0.00 60.65 58.80 1zy5 h LYS 950 Cb 0.32 0.00 -0.42 0.00 -0.41 0.00 0.00 32.23 31.72 1zy5 h LYS 950 CO 0.01 0.34 -0.76 -1.33 -2.27 0.00 0.00 179.45 175.44 1zy5 n MET 951 N -3.06 3.39 0.21 1.90 2.81 -0.85 -4.88 117.12 116.65 1zy5 n MET 951 Ca -0.01 -4.42 -0.14 0.00 -1.81 0.00 0.00 57.70 51.32 1zy5 n MET 951 Cb 0.73 -2.23 -0.08 0.00 -0.71 0.00 0.00 33.22 30.93 1zy5 n MET 951 CO 0.00 0.00 0.00 -0.22 1.51 0.00 0.00 175.97 177.26 1zy5 h LYS 952 N 2.52 -0.50 -0.69 0.03 3.64 -1.71 -2.45 116.57 117.40 1zy5 h LYS 952 Ca 0.30 0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.65 1zy5 h LYS 952 Cb 1.03 0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.94 1zy5 h LYS 952 CO 0.82 -0.22 0.18 -0.24 -2.27 0.00 0.00 179.45 177.72 1zy5 h VAL 953 N -0.75 1.26 -0.35 2.00 3.04 -1.90 -2.13 116.25 117.42 1zy5 h VAL 953 Ca -0.05 -0.95 -0.03 0.00 -1.01 0.00 0.00 66.70 64.65 1zy5 h VAL 953 Cb 0.52 0.55 -0.02 0.00 -2.01 0.00 0.00 31.29 30.33 1zy5 h VAL 953 CO 0.09 0.37 0.08 1.05 -1.01 0.00 0.00 177.57 178.15 1zy5 h GLU 954 N 1.04 0.51 -0.43 4.17 9.09 -1.94 0.21 114.58 127.23 1zy5 h GLU 954 Ca 0.22 -0.08 -0.13 0.00 0.05 0.00 0.00 59.36 59.42 1zy5 h GLU 954 Cb 0.36 -0.09 -0.01 0.00 -1.65 0.00 0.00 28.75 27.36 1zy5 h GLU 954 CO 0.00 0.47 -0.26 -0.22 0.05 0.00 0.00 179.01 179.06 1zy5 h LYS 955 N 0.50 0.90 -0.64 1.06 3.64 -1.10 -1.02 116.57 119.92 1zy5 h LYS 955 Ca 0.12 -0.40 -0.08 0.00 -1.27 0.00 0.00 60.65 59.02 1zy5 h LYS 955 Cb 0.20 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.97 1zy5 h LYS 955 CO -0.00 1.05 0.09 -0.22 -2.27 0.00 0.00 179.45 178.10 1zy5 h LYS 956 N 0.77 1.06 -0.15 1.90 3.64 -0.70 -1.03 116.57 122.07 1zy5 h LYS 956 Ca 0.09 -0.29 -0.04 0.00 -1.27 0.00 0.00 60.65 59.15 1zy5 h LYS 956 Cb 0.82 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.51 1zy5 h LYS 956 CO 0.07 0.99 -0.06 0.82 -2.27 0.00 0.00 179.45 179.00 1zy5 h ILE 957 N 0.99 1.30 -0.38 2.00 2.04 -0.78 -2.57 117.51 120.12 1zy5 h ILE 957 Ca 0.19 -1.06 0.02 0.00 1.00 0.00 0.00 64.86 65.01 1zy5 h ILE 957 Cb 0.45 1.70 -0.03 0.00 -0.74 0.00 0.00 36.82 38.21 1zy5 h ILE 957 CO 0.01 0.31 0.22 0.40 0.00 0.00 0.00 178.15 179.09 1zy5 h ILE 958 N -0.03 1.03 -0.51 -0.67 2.04 -1.05 -1.21 117.51 117.11 1zy5 h ILE 958 Ca 0.03 -0.15 0.08 0.00 1.00 0.00 0.00 64.86 65.82 1zy5 h ILE 958 Cb 0.51 0.55 -0.07 0.00 -0.74 0.00 0.00 36.82 37.07 1zy5 h ILE 958 CO 0.02 0.08 0.15 -0.09 0.00 0.00 0.00 178.15 178.31 1zy5 h ARG 959 N 0.45 0.29 -0.39 2.37 9.65 -1.15 0.36 114.38 125.97 1zy5 h ARG 959 Ca 0.15 -0.02 -0.00 0.00 -1.10 0.00 0.00 59.98 59.01 1zy5 h ARG 959 Cb 0.01 -0.07 -0.02 0.00 -1.39 0.00 0.00 29.97 28.50 1zy5 h ARG 959 CO -0.07 0.19 0.23 -0.07 2.80 0.00 0.00 179.97 183.05 1zy5 h LEU 960 N 0.30 0.47 -0.98 3.80 3.38 -1.14 -2.78 115.31 118.36 1zy5 h LEU 960 Ca 0.25 -0.06 -0.09 0.00 0.09 0.00 0.00 57.88 58.08 1zy5 h LEU 960 Cb 0.31 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1zy5 h LEU 960 CO -0.29 0.39 -0.20 -0.07 0.09 0.00 0.00 178.44 178.35 1zy5 h LEU 961 N 0.51 0.49 -3.68 1.67 3.38 -0.32 -3.12 115.31 114.25 1zy5 h LEU 961 Ca 0.14 -0.15 -0.21 0.00 0.09 0.00 0.00 57.88 57.75 1zy5 h LEU 961 Cb 0.01 -0.13 -0.12 0.00 0.09 0.00 0.00 40.66 40.50 1zy5 h LEU 961 CO -0.03 0.71 0.24 2.30 0.09 0.00 0.00 178.44 181.75 1zy5 n ILE 962 N -4.15 2.87 -2.15 1.22 -5.35 0.03 -3.83 119.36 108.00 1zy5 n ILE 962 Ca -0.00 -1.75 -0.42 0.00 -0.27 0.00 0.00 62.75 60.31 1zy5 n ILE 962 Cb 0.38 -0.35 -0.03 0.00 -1.74 0.00 0.00 39.64 37.90 1zy5 n ILE 962 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1zy5 s ASP 963 N -1.23 6.81 0.20 7.28 -1.08 -1.06 -4.88 116.67 122.71 1zy5 s ASP 963 Ca 0.54 2.42 0.13 0.00 -0.52 0.00 0.00 52.55 55.12 1zy5 s ASP 963 Cb 0.43 -2.60 0.72 0.00 -1.46 0.00 0.00 42.92 40.02 1zy5 s ASP 963 CO 0.12 -0.62 1.41 1.41 0.52 0.00 0.00 175.17 178.01 1zy5 n HIS 964 N 3.24 0.45 -3.55 -5.34 8.25 -1.26 -4.33 115.22 112.68 1zy5 n HIS 964 Ca 0.09 0.24 -0.41 0.00 -0.26 0.00 0.00 57.72 57.37 1zy5 n HIS 964 Cb 0.42 -0.88 -0.11 0.00 1.12 0.00 0.00 29.99 30.54 1zy5 n HIS 964 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1zy5 s ASP 965 N -3.64 5.88 0.40 0.41 -1.08 -1.26 -4.64 116.67 112.74 1zy5 s ASP 965 Ca -0.01 -0.83 0.10 0.00 -0.52 0.00 0.00 52.55 51.29 1zy5 s ASP 965 Cb 0.04 -2.08 0.90 0.00 -1.46 0.00 0.00 42.92 40.32 1zy5 s ASP 965 CO 0.12 -0.36 1.96 1.55 0.52 0.00 0.00 175.17 178.96 1zy5 h PRO 966 N 8.50 0.55 0.00 4.34 0.13 -1.96 -1.84 132.00 141.72 1zy5 h PRO 966 Ca -0.28 -0.03 -0.02 0.00 -0.87 0.00 0.00 66.00 64.80 1zy5 h PRO 966 Cb 1.12 -0.12 -0.00 0.00 0.13 0.00 0.00 31.00 32.13 1zy5 h PRO 966 CO 0.68 0.36 -0.10 -0.91 -0.23 0.00 0.00 178.00 177.80 1zy5 h ASN 967 N 0.56 0.00 1.28 1.44 2.35 -1.94 -1.52 115.58 117.76 1zy5 h ASN 967 Ca 0.31 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.06 1zy5 h ASN 967 Cb 0.47 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.84 1zy5 h ASN 967 CO -0.10 0.10 -0.42 0.11 -1.65 0.00 0.00 177.43 175.47 1zy5 h LYS 968 N 0.00 0.00 -6.59 0.81 1.57 -1.71 -3.46 116.57 107.19 1zy5 h LYS 968 Ca -0.00 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.25 1zy5 h LYS 968 Cb 0.22 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.55 1zy5 h LYS 968 CO 0.01 0.00 0.59 1.03 -0.57 0.00 0.00 179.45 180.51 1zy5 s ARG 969 N -3.20 4.44 0.32 3.15 0.52 -0.57 -4.94 118.95 118.68 1zy5 s ARG 969 Ca 0.06 1.88 -0.27 0.00 -0.52 0.00 0.00 55.73 56.88 1zy5 s ARG 969 Cb 0.11 -3.27 -0.09 0.00 0.52 0.00 0.00 34.95 32.21 1zy5 s ARG 969 CO 0.69 -0.20 1.01 -1.25 0.02 0.00 0.00 175.30 175.57 1zy5 s PRO 970 N 0.39 4.52 0.94 3.54 0.04 -1.26 -5.04 135.00 138.13 1zy5 s PRO 970 Ca 0.57 1.51 -0.13 0.00 0.04 0.00 0.00 61.00 62.98 1zy5 s PRO 970 Cb -0.32 -2.89 0.15 0.00 0.04 0.00 0.00 34.50 31.48 1zy5 s PRO 970 CO 0.33 0.19 1.15 0.20 0.04 0.00 0.00 177.00 178.91 1zy5 s GLY 971 N -1.37 1.59 0.05 0.56 0.00 -1.26 -4.84 107.32 102.05 1zy5 s GLY 971 Ca 0.50 -0.60 -0.24 0.00 0.00 0.00 0.00 44.72 44.38 1zy5 s GLY 971 CO 0.30 0.00 1.56 0.00 0.00 0.00 0.00 173.10 174.96 1zy5 h ALA 972 N -1.60 -0.03 -0.67 3.20 0.00 -1.92 -1.77 119.26 116.48 1zy5 h ALA 972 Ca -0.50 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 54.34 1zy5 h ALA 972 Cb 1.32 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 19.08 1zy5 h ALA 972 CO 0.58 -0.42 0.42 -0.09 0.00 0.00 0.00 179.25 179.73 1zy5 h ARG 973 N -0.21 0.80 -0.84 0.00 9.65 -1.92 0.18 114.38 122.04 1zy5 h ARG 973 Ca -0.00 -0.05 -0.00 0.00 -1.10 0.00 0.00 59.98 58.83 1zy5 h ARG 973 Cb 0.20 -0.18 -0.04 0.00 -1.39 0.00 0.00 29.97 28.56 1zy5 h ARG 973 CO 0.00 0.53 0.51 1.15 2.80 0.00 0.00 179.97 184.97 1zy5 h THR 974 N 0.82 1.23 -0.25 0.20 2.02 -1.91 0.24 112.91 115.26 1zy5 h THR 974 Ca 0.27 -0.50 -0.15 0.00 0.77 0.00 0.00 66.41 66.79 1zy5 h THR 974 Cb 0.01 0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 66.46 1zy5 h THR 974 CO -0.10 0.24 -0.46 0.25 0.37 0.00 0.00 175.52 175.82 1zy5 h LEU 975 N 1.16 0.70 -1.07 2.58 5.85 -0.74 -0.84 115.31 122.95 1zy5 h LEU 975 Ca 0.30 -0.34 -0.07 0.00 0.84 0.00 0.00 57.88 58.61 1zy5 h LEU 975 Cb -0.05 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.76 1zy5 h LEU 975 CO -0.06 1.06 -0.08 -0.07 -0.34 0.00 0.00 178.44 178.95 1zy5 h LEU 976 N 0.52 0.55 -0.46 2.25 3.38 -0.20 -2.78 115.31 118.56 1zy5 h LEU 976 Ca 0.03 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1zy5 h LEU 976 Cb 1.00 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.61 1zy5 h LEU 976 CO 0.09 0.68 -0.21 0.59 0.09 0.00 0.00 178.44 179.68 1zy5 n ASN 977 N -4.22 0.93 -0.08 -0.43 5.03 0.78 -4.26 115.26 113.01 1zy5 n ASN 977 Ca 0.01 -0.85 -0.01 0.00 0.87 0.00 0.00 54.58 54.60 1zy5 n ASN 977 Cb 0.31 0.08 0.24 0.00 -1.02 0.00 0.00 39.78 39.40 1zy5 n ASN 977 CO 0.00 0.00 0.00 0.77 -1.83 0.00 0.00 177.26 176.20 1zy5 h SER 978 N 1.12 0.67 0.00 6.41 4.64 -0.86 -3.47 113.55 122.06 1zy5 h SER 978 Ca 0.00 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.21 1zy5 h SER 978 Cb 0.47 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 1zy5 h SER 978 CO 0.00 0.66 0.00 0.61 -0.87 0.00 0.00 176.83 177.23 1zy5 n GLY 979 N -0.94 0.69 0.22 -0.77 0.00 -1.26 -4.92 105.19 98.21 1zy5 n GLY 979 Ca 0.03 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.17 1zy5 n GLY 979 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1zy5 h TRP 980 N 0.00 0.00 -3.59 1.61 6.55 -1.90 -3.44 115.95 115.17 1zy5 h TRP 980 Ca 0.00 0.00 -0.51 0.00 0.95 0.00 0.00 58.89 59.33 1zy5 h TRP 980 Cb 0.00 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.30 1zy5 h TRP 980 CO 0.00 0.03 0.47 -0.51 -1.05 0.00 0.00 178.44 177.38 1zy5 s LEU 981 N -6.23 4.50 0.61 -4.49 1.02 -1.26 -4.99 118.68 107.84 1zy5 s LEU 981 Ca 0.06 2.09 -0.19 0.00 0.02 0.00 0.00 54.13 56.11 1zy5 s LEU 981 Cb 0.06 -3.61 -0.03 0.00 0.02 0.00 0.00 46.19 42.63 1zy5 s LEU 981 CO 0.66 -0.19 1.20 -2.65 0.02 0.00 0.00 176.35 175.38 1zy5 n PRO 982 N 2.25 1.17 -1.94 1.29 -0.02 -1.26 -4.91 135.00 131.57 1zy5 n PRO 982 Ca 0.02 0.45 -0.41 0.00 -2.02 0.00 0.00 63.50 61.54 1zy5 n PRO 982 Cb 0.46 -2.42 -0.01 0.00 -0.02 0.00 0.00 33.50 31.51 1zy5 n PRO 982 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1zy5 s VAL 983 N -1.40 2.36 0.86 -1.45 -7.23 -1.26 -4.92 120.40 107.36 1zy5 s VAL 983 Ca 0.78 0.36 -0.14 0.00 -1.81 0.00 0.00 61.98 61.16 1zy5 s VAL 983 Cb -0.40 -3.23 -0.01 0.00 0.56 0.00 0.00 36.38 33.30 1zy5 s VAL 983 CO 0.44 0.08 0.34 0.29 -0.31 0.00 0.00 175.10 175.94 1zy5 n LYS 984 N 0.78 -0.04 -2.77 4.82 5.02 -1.26 -4.96 118.16 119.76 1zy5 n LYS 984 Ca 0.01 0.03 -0.33 0.00 -2.02 0.00 0.00 58.31 56.00 1zy5 n LYS 984 Cb 0.40 -1.76 -0.06 0.00 -0.02 0.00 0.00 35.03 33.59 1zy5 n LYS 984 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 1zy5 s HIS 985 N -2.17 3.34 0.29 2.13 5.65 -1.26 -4.85 115.29 118.42 1zy5 s HIS 985 Ca 0.59 1.56 0.04 0.00 0.25 0.00 0.00 55.06 57.49 1zy5 s HIS 985 Cb -0.26 -2.82 0.75 0.00 -1.18 0.00 0.00 32.58 29.07 1zy5 s HIS 985 CO 0.65 -0.14 1.66 0.37 -0.65 0.00 0.00 174.74 176.63 1zy5 h GLN 986 N 1.77 0.26 -0.39 2.88 4.15 -1.99 0.40 115.11 122.18 1zy5 h GLN 986 Ca -0.49 -0.02 0.03 0.00 0.77 0.00 0.00 58.65 58.95 1zy5 h GLN 986 Cb 1.18 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 28.79 1zy5 h GLN 986 CO 0.61 0.17 0.26 -0.44 -1.93 0.00 0.00 178.83 177.50 1zy5 h ASP 987 N 0.26 0.37 -0.01 -0.69 5.19 -1.99 0.95 116.42 120.50 1zy5 h ASP 987 Ca 0.57 -0.01 -0.22 0.00 -0.62 0.00 0.00 57.03 56.75 1zy5 h ASP 987 Cb 1.16 -0.09 0.02 0.00 0.18 0.00 0.00 39.33 40.60 1zy5 h ASP 987 CO -0.62 0.26 -0.86 -0.08 -3.12 0.00 0.00 179.24 174.81 1zy5 h GLU 988 N 0.43 0.60 -0.97 3.56 4.81 -0.62 -2.33 114.58 120.06 1zy5 h GLU 988 Ca 0.16 -0.63 0.02 0.00 -0.13 0.00 0.00 59.36 58.78 1zy5 h GLU 988 Cb 0.10 0.18 -0.05 0.00 0.63 0.00 0.00 28.75 29.60 1zy5 h GLU 988 CO -0.04 1.24 0.64 0.28 -0.73 0.00 0.00 179.01 180.40 1zy5 h VAL 989 N 0.21 1.21 0.02 0.32 2.07 -0.37 -1.54 116.25 118.17 1zy5 h VAL 989 Ca -0.11 -0.43 -0.00 0.00 0.82 0.00 0.00 66.70 66.98 1zy5 h VAL 989 Cb 1.54 -0.17 0.00 0.00 -1.52 0.00 0.00 31.29 31.14 1zy5 h VAL 989 CO 0.17 0.23 -0.01 0.40 0.02 0.00 0.00 177.57 178.38 1zy5 h ILE 990 N 1.27 1.17 -0.25 4.57 2.04 -0.82 -0.78 117.51 124.71 1zy5 h ILE 990 Ca 0.37 -0.56 -0.05 0.00 1.00 0.00 0.00 64.86 65.62 1zy5 h ILE 990 Cb -0.07 1.55 -0.01 0.00 -0.74 0.00 0.00 36.82 37.54 1zy5 h ILE 990 CO -0.10 0.14 -0.07 0.11 0.00 0.00 0.00 178.15 178.24 1zy5 h LYS 991 N -0.26 0.39 -0.23 2.37 1.57 -1.16 0.20 116.57 119.44 1zy5 h LYS 991 Ca -0.00 -0.09 -0.17 0.00 -1.87 0.00 0.00 60.65 58.52 1zy5 h LYS 991 Cb 0.25 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.51 1zy5 h LYS 991 CO 0.00 0.48 -0.53 0.93 -0.57 0.00 0.00 179.45 179.76 1zy5 h GLU 992 N 0.37 0.77 0.00 3.15 5.08 -1.24 -1.95 114.58 120.76 1zy5 h GLU 992 Ca 0.08 -0.52 -0.04 0.00 -1.00 0.00 0.00 59.36 57.88 1zy5 h GLU 992 Cb 0.36 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 1zy5 h GLU 992 CO 0.02 1.14 -0.19 0.00 -1.00 0.00 0.00 179.01 178.98 1zy5 h ALA 993 N 0.63 1.27 -0.13 3.43 0.00 -0.57 -2.52 119.26 121.37 1zy5 h ALA 993 Ca 0.00 -0.17 -0.12 0.00 0.00 0.00 0.00 54.91 54.62 1zy5 h ALA 993 Cb 1.14 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1zy5 h ALA 993 CO 0.12 0.24 -0.40 -0.07 0.00 0.00 0.00 179.25 179.13 1zy5 h LEU 994 N 0.00 0.57 -0.11 0.00 3.38 -0.24 -3.26 115.31 115.66 1zy5 h LEU 994 Ca -0.00 -0.60 0.00 0.00 0.09 0.00 0.00 57.88 57.37 1zy5 h LEU 994 Cb 0.47 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1zy5 h LEU 994 CO 0.02 1.07 0.00 2.29 0.09 0.00 0.00 178.44 181.92 1zy5 n LYS 995 N -4.31 0.23 0.00 1.13 2.85 -0.77 -5.09 118.16 112.20 1zy5 n LYS 995 Ca -0.07 0.23 0.15 0.00 -1.05 0.00 0.00 58.31 57.57 1zy5 n LYS 995 Cb 0.54 -1.79 0.83 0.00 -0.65 0.00 0.00 35.03 33.96 1zy5 n LYS 995 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22