#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aw7 s THR 602 N 0.00 3.68 0.70 2.46 -4.23 -1.26 -4.27 115.64 112.73 1aw7 s THR 602 Ca 0.00 -1.67 -0.10 0.00 -1.18 0.00 0.00 61.69 58.74 1aw7 s THR 602 Cb 0.00 -2.93 0.03 0.00 1.34 0.00 0.00 72.50 70.94 1aw7 s THR 602 CO 0.00 -0.28 1.07 0.54 -0.54 0.00 0.00 174.62 175.41 1aw7 s ASN 603 N -3.44 5.25 0.41 3.99 2.20 -1.26 -4.89 114.94 117.20 1aw7 s ASN 603 Ca 0.30 0.94 0.16 0.00 -0.94 0.00 0.00 52.86 53.32 1aw7 s ASN 603 Cb -0.08 -1.70 1.04 0.00 -2.00 0.00 0.00 41.25 38.51 1aw7 s ASN 603 CO 0.20 -1.42 1.88 0.44 -2.94 0.00 0.00 177.10 175.26 1aw7 h ASP 604 N -0.64 0.43 -0.70 3.54 3.32 -2.00 -1.46 116.42 118.91 1aw7 h ASP 604 Ca -0.45 0.04 -0.04 0.00 0.02 0.00 0.00 57.03 56.59 1aw7 h ASP 604 Cb 1.27 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 40.74 1aw7 h ASP 604 CO 0.63 0.20 0.28 -1.13 -1.72 0.00 0.00 179.24 177.50 1aw7 h ASN 605 N 0.45 0.97 -0.16 6.45 -1.24 -1.99 -1.44 115.58 118.62 1aw7 h ASN 605 Ca 0.43 -0.17 -0.17 0.00 0.71 0.00 0.00 56.30 57.10 1aw7 h ASN 605 Cb 1.00 -0.25 -0.00 0.00 0.73 0.00 0.00 38.32 39.79 1aw7 h ASN 605 CO -0.16 0.88 -0.53 0.40 -1.29 0.00 0.00 177.43 176.73 1aw7 h ILE 606 N 1.00 1.29 -0.03 2.57 1.08 -1.65 -2.54 117.51 119.23 1aw7 h ILE 606 Ca 0.23 -1.73 -0.03 0.00 -0.39 0.00 0.00 64.86 62.94 1aw7 h ILE 606 Cb 0.21 1.66 -0.01 0.00 -3.07 0.00 0.00 36.82 35.61 1aw7 h ILE 606 CO -0.02 0.56 -0.14 0.11 -0.69 0.00 0.00 178.15 177.97 1aw7 h LYS 607 N 0.58 0.05 -0.53 2.37 1.57 -1.16 -0.98 116.57 118.46 1aw7 h LYS 607 Ca 0.02 -0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 58.72 1aw7 h LYS 607 Cb 1.10 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.39 1aw7 h LYS 607 CO 0.11 0.19 0.06 -0.44 -0.57 0.00 0.00 179.45 178.80 1aw7 h ASP 608 N 0.05 0.86 -0.32 0.86 3.32 -1.00 -1.56 116.42 118.63 1aw7 h ASP 608 Ca 0.01 -0.27 -0.10 0.00 0.02 0.00 0.00 57.03 56.69 1aw7 h ASP 608 Cb 0.27 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.58 1aw7 h ASP 608 CO 0.02 0.91 -0.15 -0.07 -1.72 0.00 0.00 179.24 178.23 1aw7 h LEU 609 N 0.77 0.76 -0.27 1.55 3.38 -0.99 -1.32 115.31 119.19 1aw7 h LEU 609 Ca 0.16 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 1aw7 h LEU 609 Cb 0.44 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1aw7 h LEU 609 CO 0.01 0.92 0.05 0.25 0.09 0.00 0.00 178.44 179.76 1aw7 h LEU 610 N 0.69 0.43 -0.24 1.67 5.85 -1.11 -1.34 115.31 121.25 1aw7 h LEU 610 Ca 0.11 -0.26 0.03 0.00 0.84 0.00 0.00 57.88 58.60 1aw7 h LEU 610 Cb 0.64 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.52 1aw7 h LEU 610 CO 0.04 0.58 0.07 0.44 -0.34 0.00 0.00 178.44 179.23 1aw7 h ASP 611 N 0.26 0.07 0.09 1.25 3.32 -0.92 -2.20 116.42 118.29 1aw7 h ASP 611 Ca 0.08 0.03 0.01 0.00 0.02 0.00 0.00 57.03 57.18 1aw7 h ASP 611 Cb 0.33 0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.88 1aw7 h ASP 611 CO 0.00 0.07 -0.18 -0.25 -1.72 0.00 0.00 179.24 177.17 1aw7 h TRP 612 N 0.18 -0.46 0.00 4.55 2.91 -1.11 -2.29 115.95 119.72 1aw7 h TRP 612 Ca 0.11 0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.14 1aw7 h TRP 612 Cb 0.09 0.19 0.00 0.00 -0.51 0.00 0.00 29.16 28.93 1aw7 h TRP 612 CO -0.13 -0.26 0.00 0.66 -1.03 0.00 0.00 178.44 177.68 1aw7 n TYR 613 N -5.30 0.00 -1.55 2.65 4.01 -0.52 -3.28 117.16 113.18 1aw7 n TYR 613 Ca -0.06 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.73 1aw7 n TYR 613 Cb 0.22 0.00 0.09 0.00 -0.31 0.00 0.00 39.34 39.34 1aw7 n TYR 613 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 1aw7 n SER 614 N -0.79 1.35 -1.40 7.72 3.41 -0.84 -4.60 113.62 118.48 1aw7 n SER 614 Ca 0.13 -2.69 0.00 0.00 -0.26 0.00 0.00 58.87 56.05 1aw7 n SER 614 Cb 0.06 -0.35 0.27 0.00 -0.26 0.00 0.00 64.21 63.93 1aw7 n SER 614 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1aw7 n SER 615 N -0.76 3.96 -0.47 4.04 3.41 -1.04 -5.04 113.62 117.73 1aw7 n SER 615 Ca 0.10 -3.27 0.00 0.00 -0.26 0.00 0.00 58.87 55.44 1aw7 n SER 615 Cb 0.70 -0.65 0.00 0.00 -0.26 0.00 0.00 64.21 64.00 1aw7 n SER 615 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1aw7 n GLY 616 N -0.51 -1.35 3.51 5.00 0.00 -1.26 -5.03 105.19 105.56 1aw7 n GLY 616 Ca 0.32 -1.18 -0.10 0.00 0.00 0.00 0.00 46.02 45.05 1aw7 n GLY 616 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1aw7 s SER 617 N -4.00 -0.34 -0.18 1.61 1.04 -1.26 -4.90 113.70 105.67 1aw7 s SER 617 Ca 0.00 -0.35 -0.08 0.00 0.48 0.00 0.00 55.95 56.00 1aw7 s SER 617 Cb 0.00 0.59 -0.04 0.00 0.10 0.00 0.00 66.02 66.67 1aw7 s SER 617 CO 0.00 -1.05 0.07 -1.81 0.98 0.00 0.00 173.24 171.43 1aw7 s ASP 618 N -2.84 5.71 -0.23 7.02 1.01 0.15 -4.96 116.67 122.53 1aw7 s ASP 618 Ca 0.07 0.11 -0.00 0.00 0.71 0.00 0.00 52.55 53.44 1aw7 s ASP 618 Cb -0.01 -1.97 0.03 0.00 1.01 0.00 0.00 42.92 41.98 1aw7 s ASP 618 CO -0.05 0.19 -0.10 -0.89 0.21 0.00 0.00 175.17 174.53 1aw7 s THR 619 N 0.28 2.59 -0.03 -1.27 2.01 -1.26 -1.20 115.64 116.77 1aw7 s THR 619 Ca 0.04 -1.09 0.03 0.00 0.31 0.00 0.00 61.69 60.99 1aw7 s THR 619 Cb -0.12 -2.30 -0.00 0.00 0.01 0.00 0.00 72.50 70.09 1aw7 s THR 619 CO -0.00 0.25 -0.12 -0.36 -0.69 0.00 0.00 174.62 173.70 1aw7 s PHE 620 N 1.29 1.17 -0.03 4.92 0.08 0.42 -4.99 117.98 120.83 1aw7 s PHE 620 Ca -0.00 -0.29 0.06 0.00 0.12 0.00 0.00 56.93 56.81 1aw7 s PHE 620 Cb -0.16 -0.80 -0.02 0.00 -0.57 0.00 0.00 43.02 41.46 1aw7 s PHE 620 CO -0.06 -0.10 -0.20 0.95 -0.10 0.00 0.00 175.22 175.71 1aw7 s THR 621 N 0.06 2.61 -1.15 0.64 -4.23 -1.26 -0.86 115.64 111.44 1aw7 s THR 621 Ca -0.02 -0.90 -0.04 0.00 -1.18 0.00 0.00 61.69 59.55 1aw7 s THR 621 Cb -0.08 -1.98 0.00 0.00 1.34 0.00 0.00 72.50 71.78 1aw7 s THR 621 CO 0.01 0.58 0.99 0.59 -0.54 0.00 0.00 174.62 176.24 1aw7 n ASN 622 N 2.35 -3.99 -4.40 3.99 3.02 -0.84 -4.66 115.26 110.73 1aw7 n ASN 622 Ca -0.17 -0.52 -0.29 0.00 -0.03 0.00 0.00 54.58 53.57 1aw7 n ASN 622 Cb 0.52 -4.63 0.17 0.00 -0.61 0.00 0.00 39.78 35.23 1aw7 n ASN 622 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1aw7 s SER 623 N -3.76 2.87 -0.10 6.41 0.01 0.35 -4.59 113.70 114.90 1aw7 s SER 623 Ca 0.26 0.70 0.01 0.00 1.31 0.00 0.00 55.95 58.24 1aw7 s SER 623 Cb -0.12 -1.05 0.02 0.00 0.21 0.00 0.00 66.02 65.08 1aw7 s SER 623 CO 0.66 -2.92 -0.13 -0.70 0.41 0.00 0.00 173.24 170.56 1aw7 s GLU 624 N -5.48 1.93 0.23 12.44 2.12 0.15 -1.30 118.70 128.78 1aw7 s GLU 624 Ca 0.68 -0.46 -0.30 0.00 0.36 0.00 0.00 54.97 55.25 1aw7 s GLU 624 Cb -0.11 -1.69 -0.10 0.00 0.26 0.00 0.00 34.13 32.50 1aw7 s GLU 624 CO 0.54 -0.08 1.39 0.08 -0.54 0.00 0.00 175.26 176.65 1aw7 s VAL 625 N 1.03 2.86 -0.13 3.70 1.01 -0.06 -0.83 120.40 128.00 1aw7 s VAL 625 Ca -0.07 0.72 0.09 0.00 0.00 0.00 0.00 61.98 62.73 1aw7 s VAL 625 Cb -0.15 -3.46 -0.14 0.00 0.00 0.00 0.00 36.38 32.63 1aw7 s VAL 625 CO -0.01 0.11 0.01 0.18 0.00 0.00 0.00 175.10 175.39 1aw7 n LEU 626 N 2.43 0.45 -3.64 3.92 4.77 -0.21 -0.54 117.00 124.19 1aw7 n LEU 626 Ca 0.06 -0.01 -0.09 0.00 -0.03 0.00 0.00 56.01 55.94 1aw7 n LEU 626 Cb 0.41 0.17 -0.07 0.00 -2.33 0.00 0.00 43.42 41.60 1aw7 n LEU 626 CO 0.59 0.37 0.62 -0.62 -1.33 0.00 0.00 177.39 177.03 1aw7 s ASP 627 N -4.65 -0.57 -0.30 -1.43 2.15 -1.02 -4.75 116.67 106.11 1aw7 s ASP 627 Ca -0.08 1.06 -0.03 0.00 0.43 0.00 0.00 52.55 53.92 1aw7 s ASP 627 Cb 0.04 1.10 0.10 0.00 -0.30 0.00 0.00 42.92 43.87 1aw7 s ASP 627 CO 0.48 -0.18 0.13 0.21 -0.17 0.00 0.00 175.17 175.64 1aw7 s ASN 628 N 0.51 3.54 0.00 -0.34 2.47 -1.26 -1.42 114.94 118.44 1aw7 s ASN 628 Ca -0.00 -1.42 0.00 0.00 0.42 0.00 0.00 52.86 51.86 1aw7 s ASN 628 Cb -0.05 -0.41 0.00 0.00 -1.45 0.00 0.00 41.25 39.34 1aw7 s ASN 628 CO -0.07 -0.42 0.00 -1.20 -3.72 0.00 0.00 177.10 171.69 1aw7 n SER 629 N 5.09 0.00 -4.45 -4.21 7.64 -0.61 -4.99 113.62 112.09 1aw7 n SER 629 Ca -0.04 0.00 -0.44 0.00 1.01 0.00 0.00 58.87 59.41 1aw7 n SER 629 Cb 0.41 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.58 1aw7 n SER 629 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1aw7 s LEU 630 N 0.00 4.84 -1.46 -3.43 2.96 -1.26 -4.43 118.68 115.91 1aw7 s LEU 630 Ca 0.00 -1.68 -0.09 0.00 -0.22 0.00 0.00 54.13 52.15 1aw7 s LEU 630 Cb 0.00 -2.40 0.03 0.00 0.50 0.00 0.00 46.19 44.32 1aw7 s LEU 630 CO 0.00 -1.19 0.89 0.61 -1.32 0.00 0.00 176.35 175.34 1aw7 n GLY 631 N 5.46 -0.53 3.44 7.98 0.00 -1.26 -4.98 105.19 115.30 1aw7 n GLY 631 Ca 0.14 0.19 -0.15 0.00 0.00 0.00 0.00 46.02 46.20 1aw7 n GLY 631 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1aw7 s SER 632 N -3.06 -0.53 0.03 1.61 1.04 -1.26 -2.52 113.70 109.01 1aw7 s SER 632 Ca 0.50 0.76 0.03 0.00 0.48 0.00 0.00 55.95 57.72 1aw7 s SER 632 Cb -0.23 0.76 -0.02 0.00 0.10 0.00 0.00 66.02 66.63 1aw7 s SER 632 CO 0.61 -0.40 -0.10 -0.04 0.98 0.00 0.00 173.24 174.29 1aw7 s MET 633 N -0.59 0.70 -0.17 4.02 -1.94 -0.43 -1.57 119.30 119.32 1aw7 s MET 633 Ca -0.07 -0.61 0.00 0.00 -1.71 0.00 0.00 55.69 53.30 1aw7 s MET 633 Cb -0.03 -0.63 0.01 0.00 2.01 0.00 0.00 34.83 36.19 1aw7 s MET 633 CO 0.05 0.15 -0.16 0.50 -0.01 0.00 0.00 175.02 175.55 1aw7 s ARG 634 N -1.00 3.15 -0.00 2.03 3.52 -0.51 -1.18 118.95 124.97 1aw7 s ARG 634 Ca -0.02 -0.77 0.03 0.00 -0.13 0.00 0.00 55.73 54.84 1aw7 s ARG 634 Cb -0.07 -2.64 -0.01 0.00 -1.56 0.00 0.00 34.95 30.67 1aw7 s ARG 634 CO 0.01 -0.09 -0.09 0.42 -0.81 0.00 0.00 175.30 174.74 1aw7 s ILE 635 N 1.06 0.70 -0.18 4.11 1.01 -0.30 -1.04 121.20 126.55 1aw7 s ILE 635 Ca -0.01 -0.44 -0.07 0.00 0.00 0.00 0.00 60.65 60.13 1aw7 s ILE 635 Cb -0.14 -0.60 -0.04 0.00 0.01 0.00 0.00 42.46 41.69 1aw7 s ILE 635 CO -0.05 0.16 0.05 -0.75 0.00 0.00 0.00 174.94 174.35 1aw7 s LYS 636 N -0.32 3.94 0.32 2.79 2.20 -0.01 -0.80 119.74 127.86 1aw7 s LYS 636 Ca 0.03 -0.36 0.03 0.00 -0.36 0.00 0.00 55.97 55.30 1aw7 s LYS 636 Cb -0.04 -3.20 -0.02 0.00 -1.51 0.00 0.00 37.83 33.06 1aw7 s LYS 636 CO -0.00 0.25 0.49 -0.80 -0.36 0.00 0.00 175.35 174.93 1aw7 s ASN 637 N 0.42 6.17 0.17 1.43 0.01 0.25 -0.67 114.94 122.72 1aw7 s ASN 637 Ca 0.02 0.17 0.10 0.00 -0.71 0.00 0.00 52.86 52.44 1aw7 s ASN 637 Cb -0.13 -1.74 0.55 0.00 0.41 0.00 0.00 41.25 40.35 1aw7 s ASN 637 CO 0.01 -0.31 1.26 0.35 -1.51 0.00 0.00 177.10 176.90 1aw7 n THR 638 N -1.67 1.30 0.50 1.60 -2.24 -1.26 -0.92 114.28 111.59 1aw7 n THR 638 Ca -0.04 0.63 0.11 0.00 -2.27 0.00 0.00 64.05 62.48 1aw7 n THR 638 Cb 0.57 -1.63 0.17 0.00 -2.10 0.00 0.00 70.33 67.34 1aw7 n THR 638 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1aw7 n ASP 639 N -1.84 3.24 0.00 3.42 5.75 -1.26 -4.94 116.55 120.91 1aw7 n ASP 639 Ca -0.01 -1.97 0.00 0.00 -0.01 0.00 0.00 54.79 52.81 1aw7 n ASP 639 Cb 0.09 -0.16 0.00 0.00 -1.03 0.00 0.00 41.12 40.02 1aw7 n ASP 639 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1aw7 n GLY 640 N 1.38 0.69 3.92 6.12 0.00 -0.09 -5.06 105.19 112.16 1aw7 n GLY 640 Ca 0.17 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.93 1aw7 n GLY 640 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1aw7 s SER 641 N -2.90 5.54 -0.06 1.61 1.04 -1.26 -4.65 113.70 113.02 1aw7 s SER 641 Ca 0.00 0.63 0.06 0.00 0.48 0.00 0.00 55.95 57.11 1aw7 s SER 641 Cb 0.00 -1.61 -0.01 0.00 0.10 0.00 0.00 66.02 64.50 1aw7 s SER 641 CO 0.00 -1.07 -0.24 -0.63 0.98 0.00 0.00 173.24 172.28 1aw7 s ILE 642 N -2.96 1.97 -0.13 -1.02 -1.09 -0.66 -0.58 121.20 116.74 1aw7 s ILE 642 Ca 0.54 -1.02 -0.03 0.00 -2.23 0.00 0.00 60.65 57.92 1aw7 s ILE 642 Cb -0.10 -1.68 -0.03 0.00 -1.58 0.00 0.00 42.46 39.07 1aw7 s ILE 642 CO 0.44 0.55 -0.03 -0.44 -1.23 0.00 0.00 174.94 174.23 1aw7 s SER 643 N -0.09 4.90 -0.38 3.58 0.01 0.02 -1.43 113.70 120.31 1aw7 s SER 643 Ca -0.05 -0.04 -0.11 0.00 1.31 0.00 0.00 55.95 57.06 1aw7 s SER 643 Cb -0.14 -1.63 0.04 0.00 0.21 0.00 0.00 66.02 64.50 1aw7 s SER 643 CO 0.04 0.24 0.22 -0.76 0.41 0.00 0.00 173.24 173.39 1aw7 s LEU 644 N -0.09 4.81 -0.18 2.44 1.43 0.37 -1.15 118.68 126.32 1aw7 s LEU 644 Ca 0.02 -1.10 -0.05 0.00 -1.03 0.00 0.00 54.13 51.98 1aw7 s LEU 644 Cb -0.13 -2.02 -0.03 0.00 0.03 0.00 0.00 46.19 44.04 1aw7 s LEU 644 CO 0.02 -0.42 -0.01 -0.63 0.23 0.00 0.00 176.35 175.54 1aw7 s ILE 645 N 1.53 3.99 0.22 -0.59 1.01 -0.32 -2.03 121.20 125.02 1aw7 s ILE 645 Ca 0.02 -0.31 0.00 0.00 0.00 0.00 0.00 60.65 60.36 1aw7 s ILE 645 Cb -0.20 -2.78 -0.04 0.00 0.01 0.00 0.00 42.46 39.45 1aw7 s ILE 645 CO 0.06 0.46 0.40 0.27 0.00 0.00 0.00 174.94 176.13 1aw7 s ILE 646 N 0.68 5.21 -0.38 2.92 -4.36 -0.95 -1.32 121.20 123.00 1aw7 s ILE 646 Ca -0.01 -0.49 0.01 0.00 -0.26 0.00 0.00 60.65 59.90 1aw7 s ILE 646 Cb -0.14 -3.77 0.14 0.00 1.25 0.00 0.00 42.46 39.94 1aw7 s ILE 646 CO 0.02 -0.24 0.24 -0.36 0.24 0.00 0.00 174.94 174.84 1aw7 s PHE 647 N -1.94 1.09 -2.06 1.37 0.40 -1.05 -1.84 117.98 113.95 1aw7 s PHE 647 Ca 0.38 -1.92 0.20 0.00 -0.60 0.00 0.00 56.93 54.99 1aw7 s PHE 647 Cb -0.11 -1.15 1.06 0.00 0.51 0.00 0.00 43.02 43.33 1aw7 s PHE 647 CO 0.30 -0.81 1.70 -0.35 0.70 0.00 0.00 175.22 176.75 1aw7 n PRO 648 N 3.74 1.15 -3.92 0.24 -0.04 -1.26 -4.78 135.00 130.13 1aw7 n PRO 648 Ca 0.14 -0.23 -0.34 0.00 -0.04 0.00 0.00 63.50 63.03 1aw7 n PRO 648 Cb 0.38 -1.32 -0.05 0.00 -0.04 0.00 0.00 33.50 32.47 1aw7 n PRO 648 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1aw7 s SER 649 N -1.60 6.30 0.00 3.54 0.15 -1.26 -4.70 113.70 116.14 1aw7 s SER 649 Ca 0.29 0.36 0.21 0.00 0.70 0.00 0.00 55.95 57.51 1aw7 s SER 649 Cb 0.14 -1.98 1.06 0.00 -1.71 0.00 0.00 66.02 63.53 1aw7 s SER 649 CO 0.23 0.30 1.68 -0.81 1.20 0.00 0.00 173.24 175.84 1aw7 n PRO 650 N 1.22 0.29 0.00 5.44 -0.04 -1.26 -3.17 135.00 137.48 1aw7 n PRO 650 Ca -0.13 0.09 0.08 0.00 -0.04 0.00 0.00 63.50 63.50 1aw7 n PRO 650 Cb 0.53 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.45 1aw7 n PRO 650 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1aw7 n TYR 651 N -1.29 0.00 -3.45 0.54 4.01 -1.26 -4.80 117.16 110.91 1aw7 n TYR 651 Ca 0.10 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.60 1aw7 n TYR 651 Cb 0.17 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.09 1aw7 n TYR 651 CO 0.00 0.00 0.00 -0.47 -0.46 0.00 0.00 176.86 175.93 1aw7 s TYR 652 N -2.31 0.09 -0.24 -0.72 5.04 -1.19 -3.94 117.35 114.08 1aw7 s TYR 652 Ca 0.11 -0.86 -0.01 0.00 -2.44 0.00 0.00 57.07 53.87 1aw7 s TYR 652 Cb 0.14 -0.69 0.07 0.00 0.35 0.00 0.00 41.96 41.83 1aw7 s TYR 652 CO 0.56 -0.88 0.02 0.45 -1.34 0.00 0.00 175.55 174.36 1aw7 s SER 653 N 1.79 3.57 0.58 4.32 0.15 -1.26 -4.38 113.70 118.48 1aw7 s SER 653 Ca 0.13 -1.19 -0.20 0.00 0.70 0.00 0.00 55.95 55.39 1aw7 s SER 653 Cb -0.17 -0.90 -0.05 0.00 -1.71 0.00 0.00 66.02 63.19 1aw7 s SER 653 CO -0.20 -0.31 1.17 -2.65 1.20 0.00 0.00 173.24 172.45 1aw7 n PRO 654 N 4.84 1.25 -0.18 5.44 -0.02 -1.26 -4.96 135.00 140.10 1aw7 n PRO 654 Ca -0.08 0.47 0.10 0.00 -2.02 0.00 0.00 63.50 61.97 1aw7 n PRO 654 Cb 0.45 -2.37 0.19 0.00 -0.02 0.00 0.00 33.50 31.75 1aw7 n PRO 654 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1aw7 n ALA 655 N -1.43 2.38 -1.75 3.55 0.00 -1.26 -5.02 120.51 116.97 1aw7 n ALA 655 Ca 0.13 -1.01 -0.37 0.00 0.00 0.00 0.00 53.44 52.19 1aw7 n ALA 655 Cb 0.46 -0.73 0.03 0.00 0.00 0.00 0.00 19.45 19.21 1aw7 n ALA 655 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1aw7 s PHE 656 N -1.26 2.45 0.32 0.00 0.08 -1.26 -5.05 117.98 113.25 1aw7 s PHE 656 Ca 0.34 1.47 0.10 0.00 0.12 0.00 0.00 56.93 58.96 1aw7 s PHE 656 Cb 0.19 -3.57 -0.06 0.00 -0.57 0.00 0.00 43.02 39.02 1aw7 s PHE 656 CO 0.27 -2.31 -0.11 0.95 -0.10 0.00 0.00 175.22 173.92 1aw7 s THR 657 N -1.48 2.44 -0.14 0.64 -4.23 -1.26 -4.73 115.64 106.87 1aw7 s THR 657 Ca 0.73 -2.22 -0.33 0.00 -1.18 0.00 0.00 61.69 58.69 1aw7 s THR 657 Cb -0.33 -2.57 -0.15 0.00 1.34 0.00 0.00 72.50 70.78 1aw7 s THR 657 CO 0.38 -0.27 0.98 1.17 -0.54 0.00 0.00 174.62 176.33 1aw7 n LYS 658 N -0.77 0.00 0.00 3.99 4.81 -1.26 -1.65 118.16 123.28 1aw7 n LYS 658 Ca -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.39 1aw7 n LYS 658 Cb 0.62 -1.16 0.00 0.00 0.02 0.00 0.00 35.03 34.51 1aw7 n LYS 658 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1aw7 n GLY 659 N 1.86 2.94 3.78 3.14 0.00 0.30 -4.97 105.19 112.24 1aw7 n GLY 659 Ca 0.19 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 1aw7 n GLY 659 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1aw7 s GLU 660 N -0.61 3.79 0.03 1.61 2.02 -0.66 -4.69 118.70 120.20 1aw7 s GLU 660 Ca 0.00 1.66 -0.23 0.00 0.02 0.00 0.00 54.97 56.41 1aw7 s GLU 660 Cb 0.00 -2.35 -0.05 0.00 0.10 0.00 0.00 34.13 31.83 1aw7 s GLU 660 CO 0.00 -0.50 0.71 0.15 0.02 0.00 0.00 175.26 175.64 1aw7 s LYS 661 N -2.79 4.44 0.08 1.61 -0.14 -1.26 -0.88 119.74 120.80 1aw7 s LYS 661 Ca 0.64 0.95 0.01 0.00 -1.36 0.00 0.00 55.97 56.21 1aw7 s LYS 661 Cb -0.25 -3.35 -0.04 0.00 -1.68 0.00 0.00 37.83 32.50 1aw7 s LYS 661 CO 0.31 0.32 -0.06 0.14 -0.76 0.00 0.00 175.35 175.30 1aw7 s VAL 662 N -0.13 0.56 -0.08 3.17 -7.23 -0.42 -4.43 120.40 111.84 1aw7 s VAL 662 Ca 0.36 -1.87 0.01 0.00 -1.81 0.00 0.00 61.98 58.67 1aw7 s VAL 662 Cb -0.20 -1.59 -0.03 0.00 0.56 0.00 0.00 36.38 35.12 1aw7 s VAL 662 CO 0.21 -0.89 -0.10 -1.81 -0.31 0.00 0.00 175.10 172.20 1aw7 s ASP 663 N -2.95 4.36 -0.10 4.85 1.01 -0.55 -0.49 116.67 122.80 1aw7 s ASP 663 Ca 0.10 -0.14 0.02 0.00 0.71 0.00 0.00 52.55 53.24 1aw7 s ASP 663 Cb 0.05 -1.20 -0.02 0.00 1.01 0.00 0.00 42.92 42.77 1aw7 s ASP 663 CO -0.06 0.31 -0.16 -0.76 0.21 0.00 0.00 175.17 174.71 1aw7 s LEU 664 N -0.48 2.58 -0.35 1.23 1.43 -0.04 -1.74 118.68 121.31 1aw7 s LEU 664 Ca 0.07 -0.34 0.00 0.00 -1.03 0.00 0.00 54.13 52.83 1aw7 s LEU 664 Cb -0.12 -1.55 0.14 0.00 0.03 0.00 0.00 46.19 44.69 1aw7 s LEU 664 CO 0.02 0.22 0.22 0.20 0.23 0.00 0.00 176.35 177.24 1aw7 s ASN 665 N 0.02 2.83 0.29 2.29 -0.87 -0.64 -0.44 114.94 118.43 1aw7 s ASN 665 Ca -0.05 -2.17 -0.01 0.00 -1.57 0.00 0.00 52.86 49.06 1aw7 s ASN 665 Cb -0.15 -0.34 -0.02 0.00 -0.02 0.00 0.00 41.25 40.73 1aw7 s ASN 665 CO 0.05 -0.30 0.32 0.28 -2.57 0.00 0.00 177.10 174.87 1aw7 s THR 666 N 1.08 0.00 0.05 1.60 -1.32 -0.34 -4.34 115.64 112.36 1aw7 s THR 666 Ca 0.18 -1.80 0.08 0.00 -1.21 0.00 0.00 61.69 58.94 1aw7 s THR 666 Cb -0.22 -2.50 -0.03 0.00 -1.51 0.00 0.00 72.50 68.24 1aw7 s THR 666 CO 0.00 0.00 -0.22 -0.54 -2.21 0.00 0.00 174.62 171.66 1aw7 s LYS 667 N -3.61 1.45 0.27 7.08 1.02 -1.26 0.34 119.74 125.03 1aw7 s LYS 667 Ca 0.35 -0.98 -0.30 0.00 0.02 0.00 0.00 55.97 55.06 1aw7 s LYS 667 Cb 0.02 -1.58 -0.09 0.00 -0.52 0.00 0.00 37.83 35.66 1aw7 s LYS 667 CO 0.18 0.40 1.03 1.03 -0.92 0.00 0.00 175.35 177.08 1aw7 s ARG 668 N -1.23 4.72 0.00 1.68 0.52 -1.26 -2.70 118.95 120.68 1aw7 s ARG 668 Ca 0.08 1.67 0.22 0.00 -0.52 0.00 0.00 55.73 57.18 1aw7 s ARG 668 Cb -0.09 -3.21 -0.05 0.00 0.52 0.00 0.00 34.95 32.11 1aw7 s ARG 668 CO 0.02 0.34 1.03 0.25 0.02 0.00 0.00 175.30 176.95 1aw7 n THR 669 N 1.29 0.00 -3.61 0.02 -2.24 0.94 -4.96 114.28 105.72 1aw7 n THR 669 Ca -0.01 -0.04 -0.06 0.00 -2.27 0.00 0.00 64.05 61.67 1aw7 n THR 669 Cb 0.46 0.90 -0.02 0.00 -2.10 0.00 0.00 70.33 69.57 1aw7 n THR 669 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 1aw7 s LYS 670 N -2.92 0.95 0.19 -0.78 -2.85 -1.25 -5.09 119.74 107.99 1aw7 s LYS 670 Ca 0.10 -0.44 -0.33 0.00 -1.00 0.00 0.00 55.97 54.30 1aw7 s LYS 670 Cb 0.17 0.38 -0.13 0.00 -2.06 0.00 0.00 37.83 36.19 1aw7 s LYS 670 CO 0.79 -0.43 1.67 1.17 0.10 0.00 0.00 175.35 178.66 1aw7 n LYS 671 N -0.34 2.54 -1.73 1.78 4.81 -1.26 -4.53 118.16 119.43 1aw7 n LYS 671 Ca -0.08 0.92 -0.39 0.00 -0.87 0.00 0.00 58.31 57.90 1aw7 n LYS 671 Cb 0.61 -2.74 0.04 0.00 0.02 0.00 0.00 35.03 32.97 1aw7 n LYS 671 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1aw7 n SER 672 N 3.83 2.46 -4.12 3.14 7.64 -1.26 -4.84 113.62 120.46 1aw7 n SER 672 Ca 0.16 0.96 -0.09 0.00 1.01 0.00 0.00 58.87 60.92 1aw7 n SER 672 Cb 0.33 -1.55 -0.10 0.00 -1.01 0.00 0.00 64.21 61.87 1aw7 n SER 672 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1aw7 s GLN 673 N -2.86 0.73 -0.12 1.43 -0.21 -0.65 -4.96 119.66 113.03 1aw7 s GLN 673 Ca 0.72 -1.29 -0.06 0.00 0.02 0.00 0.00 55.36 54.75 1aw7 s GLN 673 Cb -0.42 0.10 -0.04 0.00 1.00 0.00 0.00 33.01 33.65 1aw7 s GLN 673 CO 0.49 -0.11 0.09 -1.01 -2.12 0.00 0.00 175.29 172.63 1aw7 s HIS 674 N -3.86 3.44 0.57 0.91 3.76 -1.26 -0.34 115.29 118.52 1aw7 s HIS 674 Ca 0.11 0.40 -0.03 0.00 -0.15 0.00 0.00 55.06 55.39 1aw7 s HIS 674 Cb 0.07 -1.91 0.02 0.00 1.11 0.00 0.00 32.58 31.87 1aw7 s HIS 674 CO -0.06 0.61 0.85 0.95 -0.85 0.00 0.00 174.74 176.23 1aw7 s THR 675 N -0.87 3.34 0.66 1.30 -4.23 -0.85 -4.97 115.64 110.02 1aw7 s THR 675 Ca 0.14 -0.27 0.42 0.00 -1.18 0.00 0.00 61.69 60.80 1aw7 s THR 675 Cb -0.12 -3.31 0.43 0.00 1.34 0.00 0.00 72.50 70.84 1aw7 s THR 675 CO 0.03 -0.28 2.33 0.77 -0.54 0.00 0.00 174.62 176.93 1aw7 h SER 676 N -0.07 0.00 -0.25 3.99 4.64 -2.00 -0.59 113.55 119.27 1aw7 h SER 676 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1aw7 h SER 676 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 1aw7 h SER 676 CO 0.58 0.00 0.00 -1.84 -0.87 0.00 0.00 176.83 174.70 1aw7 n GLU 677 N -3.17 1.87 -0.61 4.77 0.28 -1.26 -4.95 120.64 117.57 1aw7 n GLU 677 Ca -0.03 -1.33 0.00 0.00 -0.16 0.00 0.00 57.16 55.64 1aw7 n GLU 677 Cb 0.10 -1.39 0.00 0.00 1.43 0.00 0.00 31.44 31.58 1aw7 n GLU 677 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1aw7 n GLY 678 N 1.18 0.76 3.74 -1.84 0.00 -0.23 -5.04 105.19 103.75 1aw7 n GLY 678 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 1aw7 n GLY 678 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1aw7 s THR 679 N -2.72 3.96 -0.22 2.61 2.01 -1.26 -4.82 115.64 115.20 1aw7 s THR 679 Ca 0.00 1.67 -0.19 0.00 0.31 0.00 0.00 61.69 63.48 1aw7 s THR 679 Cb 0.00 -4.07 -0.03 0.00 0.01 0.00 0.00 72.50 68.42 1aw7 s THR 679 CO 0.00 0.28 0.57 -0.47 -0.69 0.00 0.00 174.62 174.30 1aw7 s TYR 680 N -0.15 3.34 -0.09 4.92 5.04 -1.26 -2.02 117.35 127.13 1aw7 s TYR 680 Ca 0.49 0.80 0.01 0.00 -2.44 0.00 0.00 57.07 55.94 1aw7 s TYR 680 Cb -0.29 -2.74 -0.02 0.00 0.35 0.00 0.00 41.96 39.26 1aw7 s TYR 680 CO 0.34 -0.19 -0.12 0.42 -1.34 0.00 0.00 175.55 174.66 1aw7 s ILE 681 N 1.97 3.21 -0.05 3.14 -1.09 0.54 -1.65 121.20 127.27 1aw7 s ILE 681 Ca 0.25 -0.64 0.02 0.00 -2.23 0.00 0.00 60.65 58.05 1aw7 s ILE 681 Cb -0.16 -2.31 -0.03 0.00 -1.58 0.00 0.00 42.46 38.39 1aw7 s ILE 681 CO 0.09 0.56 -0.09 -1.00 -1.23 0.00 0.00 174.94 173.27 1aw7 s HIS 682 N -0.25 2.85 -0.37 3.97 3.76 -0.52 -1.64 115.29 123.09 1aw7 s HIS 682 Ca 0.02 -0.05 -0.06 0.00 -0.15 0.00 0.00 55.06 54.82 1aw7 s HIS 682 Cb -0.13 -1.67 0.07 0.00 1.11 0.00 0.00 32.58 31.96 1aw7 s HIS 682 CO 0.03 0.29 0.15 -0.06 -0.85 0.00 0.00 174.74 174.30 1aw7 s PHE 683 N -0.81 3.34 0.39 1.40 0.08 -1.26 -0.48 117.98 120.64 1aw7 s PHE 683 Ca 0.13 -1.71 0.06 0.00 0.12 0.00 0.00 56.93 55.52 1aw7 s PHE 683 Cb -0.11 -2.62 -0.07 0.00 -0.57 0.00 0.00 43.02 39.65 1aw7 s PHE 683 CO 0.02 -0.82 0.03 -0.65 -0.10 0.00 0.00 175.22 173.70 1aw7 s GLN 684 N 1.34 1.87 -0.02 0.44 -0.21 -0.86 -0.04 119.66 122.17 1aw7 s GLN 684 Ca 0.01 -2.06 0.00 0.00 0.02 0.00 0.00 55.36 53.33 1aw7 s GLN 684 Cb -0.21 -1.35 0.02 0.00 1.00 0.00 0.00 33.01 32.47 1aw7 s GLN 684 CO 0.01 -0.12 0.01 -1.50 -2.12 0.00 0.00 175.29 171.56 1aw7 s ILE 685 N -2.93 0.09 0.00 1.08 2.07 -1.10 -2.23 121.20 118.18 1aw7 s ILE 685 Ca 0.34 0.09 0.00 0.00 -1.41 0.00 0.00 60.65 59.67 1aw7 s ILE 685 Cb 0.09 -0.17 0.00 0.00 0.13 0.00 0.00 42.46 42.51 1aw7 s ILE 685 CO 0.16 0.10 0.00 -0.24 -1.91 0.00 0.00 174.94 173.05 1aw7 n SER 686 N 3.89 -3.94 -0.19 4.50 2.88 -0.77 -4.21 113.62 115.77 1aw7 n SER 686 Ca -0.24 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.30 1aw7 n SER 686 Cb 0.52 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.98 1aw7 n SER 686 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1aw7 n GLY 687 N 0.00 0.68 3.17 0.46 0.00 -1.26 -4.71 105.19 103.52 1aw7 n GLY 687 Ca 0.00 -0.75 -0.32 0.00 0.00 0.00 0.00 46.02 44.95 1aw7 n GLY 687 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1aw7 s VAL 688 N -2.39 2.05 0.32 1.61 1.01 -1.26 -1.62 120.40 120.13 1aw7 s VAL 688 Ca 0.00 -0.98 0.05 0.00 0.00 0.00 0.00 61.98 61.05 1aw7 s VAL 688 Cb 0.00 -1.81 -0.03 0.00 0.00 0.00 0.00 36.38 34.54 1aw7 s VAL 688 CO 0.00 0.55 0.21 0.42 0.00 0.00 0.00 175.10 176.28 1aw7 s THR 689 N 0.79 0.16 1.06 3.92 -4.23 -0.71 -4.90 115.64 111.73 1aw7 s THR 689 Ca -0.08 -2.00 -0.16 0.00 -1.18 0.00 0.00 61.69 58.27 1aw7 s THR 689 Cb -0.16 -2.47 0.22 0.00 1.34 0.00 0.00 72.50 71.43 1aw7 s THR 689 CO -0.01 0.00 1.16 0.54 -0.54 0.00 0.00 174.62 175.76 1aw7 s ASN 690 N -3.39 2.21 -0.08 3.99 2.20 -1.26 -1.48 114.94 117.13 1aw7 s ASN 690 Ca 0.37 0.71 0.16 0.00 -0.94 0.00 0.00 52.86 53.16 1aw7 s ASN 690 Cb 0.03 -1.05 0.61 0.00 -2.00 0.00 0.00 41.25 38.85 1aw7 s ASN 690 CO 0.22 -3.33 1.50 0.35 -2.94 0.00 0.00 177.10 172.90 1aw7 n THR 691 N -4.24 1.43 -1.94 0.54 -2.24 -1.26 -4.35 114.28 102.22 1aw7 n THR 691 Ca 0.11 -0.98 -0.42 0.00 -2.27 0.00 0.00 64.05 60.49 1aw7 n THR 691 Cb 0.59 0.13 -0.03 0.00 -2.10 0.00 0.00 70.33 68.93 1aw7 n THR 691 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1aw7 s GLU 692 N -1.68 4.22 0.29 -0.78 2.12 -1.26 -4.98 118.70 116.62 1aw7 s GLU 692 Ca 0.44 2.36 0.07 0.00 0.36 0.00 0.00 54.97 58.20 1aw7 s GLU 692 Cb 0.27 -3.14 -0.03 0.00 0.26 0.00 0.00 34.13 31.48 1aw7 s GLU 692 CO 0.23 -0.58 0.21 0.15 -0.54 0.00 0.00 175.26 174.73 1aw7 s LYS 693 N 0.85 2.79 0.14 4.30 -0.14 -1.26 -2.04 119.74 124.37 1aw7 s LYS 693 Ca 0.68 -1.18 0.01 0.00 -1.36 0.00 0.00 55.97 54.12 1aw7 s LYS 693 Cb -0.43 -2.49 -0.04 0.00 -1.68 0.00 0.00 37.83 33.19 1aw7 s LYS 693 CO 0.34 0.28 0.29 -0.51 -0.76 0.00 0.00 175.35 174.98 1aw7 s LEU 694 N -3.88 4.32 0.32 3.17 1.43 -0.43 -4.64 118.68 118.97 1aw7 s LEU 694 Ca 0.36 0.24 0.00 0.00 -1.03 0.00 0.00 54.13 53.70 1aw7 s LEU 694 Cb -0.07 -2.98 0.52 0.00 0.03 0.00 0.00 46.19 43.69 1aw7 s LEU 694 CO 0.25 0.06 1.94 -0.65 0.23 0.00 0.00 176.35 178.19 1aw7 h PRO 695 N 2.36 0.89 -4.07 1.29 0.11 -2.00 -3.44 132.00 127.14 1aw7 h PRO 695 Ca -0.47 -0.09 -0.15 0.00 0.11 0.00 0.00 66.00 65.39 1aw7 h PRO 695 Cb 1.18 -0.18 -0.19 0.00 0.11 0.00 0.00 31.00 31.93 1aw7 h PRO 695 CO 0.70 0.65 -0.69 0.95 -0.21 0.00 0.00 178.00 179.41 1aw7 s THR 696 N -5.60 0.15 0.75 -1.15 -4.23 -1.26 -5.14 115.64 99.15 1aw7 s THR 696 Ca -0.10 -1.23 -0.14 0.00 -1.18 0.00 0.00 61.69 59.04 1aw7 s THR 696 Cb 0.17 -0.71 0.05 0.00 1.34 0.00 0.00 72.50 73.35 1aw7 s THR 696 CO 0.78 -0.68 1.17 -2.16 -0.54 0.00 0.00 174.62 173.20 1aw7 s PRO 697 N -2.34 2.12 0.17 3.99 0.04 -1.26 -4.89 135.00 132.84 1aw7 s PRO 697 Ca -0.08 1.61 0.10 0.00 0.04 0.00 0.00 61.00 62.67 1aw7 s PRO 697 Cb -0.04 -1.85 -0.04 0.00 0.04 0.00 0.00 34.50 32.61 1aw7 s PRO 697 CO -0.04 -1.81 -0.23 0.96 0.04 0.00 0.00 177.00 175.91 1aw7 s ILE 698 N -2.23 2.17 -0.31 0.56 -4.36 -0.66 -4.95 121.20 111.43 1aw7 s ILE 698 Ca 0.71 -1.92 -0.09 0.00 -0.26 0.00 0.00 60.65 59.09 1aw7 s ILE 698 Cb -0.25 -1.99 -0.00 0.00 1.25 0.00 0.00 42.46 41.46 1aw7 s ILE 698 CO 0.47 -0.12 0.14 -1.61 0.24 0.00 0.00 174.94 174.06 1aw7 s GLU 699 N -2.52 3.25 -0.17 0.37 2.02 -1.26 -1.62 118.70 118.76 1aw7 s GLU 699 Ca 0.17 -0.77 -0.28 0.00 0.02 0.00 0.00 54.97 54.11 1aw7 s GLU 699 Cb -0.08 -3.53 -0.00 0.00 0.10 0.00 0.00 34.13 30.62 1aw7 s GLU 699 CO 0.08 -0.44 0.98 -0.51 0.02 0.00 0.00 175.26 175.39 1aw7 s LEU 700 N 1.58 4.17 -0.77 1.80 1.43 0.64 -4.95 118.68 122.58 1aw7 s LEU 700 Ca 0.04 1.39 -0.26 0.00 -1.03 0.00 0.00 54.13 54.27 1aw7 s LEU 700 Cb -0.17 -3.48 0.00 0.00 0.03 0.00 0.00 46.19 42.57 1aw7 s LEU 700 CO 0.05 -0.53 1.62 -2.16 0.23 0.00 0.00 176.35 175.56 1aw7 s PRO 701 N 2.56 2.96 -0.24 1.29 0.04 -1.26 -3.60 135.00 136.74 1aw7 s PRO 701 Ca 0.44 -0.11 -0.18 0.00 0.04 0.00 0.00 61.00 61.19 1aw7 s PRO 701 Cb -0.17 -4.60 -0.03 0.00 0.04 0.00 0.00 34.50 29.75 1aw7 s PRO 701 CO 0.12 -2.56 0.49 -1.17 0.04 0.00 0.00 177.00 173.92 1aw7 s LEU 702 N 7.47 4.08 -0.29 -3.56 2.96 -1.26 -3.38 118.68 124.70 1aw7 s LEU 702 Ca 0.54 0.54 -0.09 0.00 -0.22 0.00 0.00 54.13 54.89 1aw7 s LEU 702 Cb -0.08 -2.64 -0.02 0.00 0.50 0.00 0.00 46.19 43.94 1aw7 s LEU 702 CO 0.10 -0.23 0.14 -0.54 -1.32 0.00 0.00 176.35 174.50 1aw7 s LYS 703 N 2.04 3.57 -0.00 1.98 1.02 -1.01 -4.64 119.74 122.69 1aw7 s LYS 703 Ca 0.21 -0.56 0.02 0.00 0.02 0.00 0.00 55.97 55.66 1aw7 s LYS 703 Cb -0.15 -3.53 -0.04 0.00 -0.52 0.00 0.00 37.83 33.59 1aw7 s LYS 703 CO 0.09 -0.30 -0.00 0.08 -0.92 0.00 0.00 175.35 174.30 1aw7 s VAL 704 N 1.65 4.12 -0.13 3.17 1.01 -1.26 -1.14 120.40 127.82 1aw7 s VAL 704 Ca 0.06 -0.61 -0.01 0.00 0.00 0.00 0.00 61.98 61.41 1aw7 s VAL 704 Cb -0.16 -2.84 0.03 0.00 0.00 0.00 0.00 36.38 33.42 1aw7 s VAL 704 CO 0.07 0.38 -0.05 -0.75 0.00 0.00 0.00 175.10 174.75 1aw7 s LYS 705 N -1.55 1.28 -0.13 2.72 2.20 -0.77 -1.66 119.74 121.84 1aw7 s LYS 705 Ca 0.19 -0.32 -0.02 0.00 -0.36 0.00 0.00 55.97 55.47 1aw7 s LYS 705 Cb -0.11 -1.71 -0.02 0.00 -1.51 0.00 0.00 37.83 34.47 1aw7 s LYS 705 CO 0.10 -0.37 -0.07 0.08 -0.36 0.00 0.00 175.35 174.73 1aw7 s VAL 706 N 1.73 3.63 -1.70 4.02 1.01 0.17 -0.59 120.40 128.67 1aw7 s VAL 706 Ca 0.03 -0.47 -0.21 0.00 0.00 0.00 0.00 61.98 61.34 1aw7 s VAL 706 Cb -0.14 -2.55 0.20 0.00 0.00 0.00 0.00 36.38 33.89 1aw7 s VAL 706 CO -0.08 0.53 0.61 1.41 0.00 0.00 0.00 175.10 177.57 1aw7 n HIS 707 N 3.20 -1.39 0.00 5.22 8.25 -0.47 0.16 115.22 130.20 1aw7 n HIS 707 Ca -0.18 0.67 0.00 0.00 -0.26 0.00 0.00 57.72 57.95 1aw7 n HIS 707 Cb 0.53 -2.13 0.00 0.00 1.12 0.00 0.00 29.99 29.51 1aw7 n HIS 707 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1aw7 n GLY 708 N -1.11 2.65 3.82 -1.41 0.00 -1.26 -5.03 105.19 102.84 1aw7 n GLY 708 Ca 0.10 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.76 1aw7 n GLY 708 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1aw7 s LYS 709 N -0.43 3.72 -0.28 1.61 1.02 0.12 -5.02 119.74 120.47 1aw7 s LYS 709 Ca 0.00 -0.17 -0.29 0.00 0.02 0.00 0.00 55.97 55.53 1aw7 s LYS 709 Cb 0.00 -3.27 -0.02 0.00 -0.52 0.00 0.00 37.83 34.02 1aw7 s LYS 709 CO 0.00 0.59 1.78 -0.51 -0.92 0.00 0.00 175.35 176.30 1aw7 s ASP 710 N -0.49 6.00 0.35 2.83 1.01 -1.26 -0.65 116.67 124.45 1aw7 s ASP 710 Ca 0.12 1.46 -0.28 0.00 0.71 0.00 0.00 52.55 54.55 1aw7 s ASP 710 Cb -0.12 -2.53 -0.11 0.00 1.01 0.00 0.00 42.92 41.18 1aw7 s ASP 710 CO 0.02 -1.59 1.46 -0.55 0.21 0.00 0.00 175.17 174.71 1aw7 s SER 711 N 5.72 6.45 -0.02 0.27 0.15 -0.66 -4.94 113.70 120.66 1aw7 s SER 711 Ca 0.79 2.95 -0.22 0.00 0.70 0.00 0.00 55.95 60.17 1aw7 s SER 711 Cb -0.24 -2.66 -0.23 0.00 -1.71 0.00 0.00 66.02 61.18 1aw7 s SER 711 CO 0.33 -0.80 1.07 -0.65 1.20 0.00 0.00 173.24 174.39 1aw7 h PRO 712 N 3.40 0.29 -6.49 5.44 0.11 -1.92 -3.44 132.00 129.39 1aw7 h PRO 712 Ca -0.50 -0.31 -0.56 0.00 0.11 0.00 0.00 66.00 64.75 1aw7 h PRO 712 Cb 1.23 0.09 0.04 0.00 0.11 0.00 0.00 31.00 32.47 1aw7 h PRO 712 CO 0.67 1.01 1.01 1.47 -0.21 0.00 0.00 178.00 181.95 1aw7 n LEU 713 N -4.36 3.69 -4.12 2.35 -0.00 -1.26 -4.98 117.00 108.32 1aw7 n LEU 713 Ca -0.10 1.02 -0.35 0.00 -0.00 0.00 0.00 56.01 56.58 1aw7 n LEU 713 Cb 0.59 -1.49 -0.13 0.00 -0.00 0.00 0.00 43.42 42.39 1aw7 n LEU 713 CO 0.43 0.02 -0.24 -0.54 -0.00 0.00 0.00 177.39 177.05 1aw7 s LYS 714 N 2.29 2.05 -0.23 1.47 3.01 -1.26 -4.90 119.74 122.17 1aw7 s LYS 714 Ca 0.82 -1.67 -0.11 0.00 -1.01 0.00 0.00 55.97 54.00 1aw7 s LYS 714 Cb -0.57 -3.43 -0.05 0.00 -1.01 0.00 0.00 37.83 32.77 1aw7 s LYS 714 CO 0.39 -0.93 0.18 -0.47 0.51 0.00 0.00 175.35 175.03 1aw7 s TYR 715 N 1.14 3.33 -0.29 3.18 5.04 -1.26 -5.06 117.35 123.43 1aw7 s TYR 715 Ca 0.05 0.27 0.02 0.00 -2.44 0.00 0.00 57.07 54.97 1aw7 s TYR 715 Cb -0.21 -2.28 0.08 0.00 0.35 0.00 0.00 41.96 39.90 1aw7 s TYR 715 CO -0.04 0.09 -0.01 -1.58 -1.34 0.00 0.00 175.55 172.67 1aw7 s TRP 716 N 0.99 3.09 0.16 4.97 0.51 -1.26 -4.11 118.94 123.29 1aw7 s TRP 716 Ca 0.09 -2.41 -0.31 0.00 -2.12 0.00 0.00 56.10 51.35 1aw7 s TRP 716 Cb -0.13 -2.23 -0.11 0.00 -0.81 0.00 0.00 33.47 30.19 1aw7 s TRP 716 CO 0.04 -0.88 1.79 -2.14 -0.51 0.00 0.00 176.95 175.24 1aw7 s PRO 717 N 1.15 4.13 -0.13 4.98 0.02 -1.24 -4.70 135.00 139.21 1aw7 s PRO 717 Ca 0.02 2.60 -0.02 0.00 0.02 0.00 0.00 61.00 63.62 1aw7 s PRO 717 Cb -0.19 -3.38 -0.03 0.00 0.02 0.00 0.00 34.50 30.92 1aw7 s PRO 717 CO -0.09 -0.81 -0.06 0.15 -0.33 0.00 0.00 177.00 175.86 1aw7 s LYS 718 N 2.10 3.40 0.04 5.54 1.02 -1.26 -0.26 119.74 130.32 1aw7 s LYS 718 Ca 0.78 -0.56 0.01 0.00 0.02 0.00 0.00 55.97 56.23 1aw7 s LYS 718 Cb -0.48 -2.78 -0.03 0.00 -0.52 0.00 0.00 37.83 34.03 1aw7 s LYS 718 CO 0.35 0.34 -0.06 -0.06 -0.92 0.00 0.00 175.35 174.99 1aw7 s PHE 719 N 0.09 0.58 -0.17 3.18 0.08 -0.64 -4.95 117.98 116.14 1aw7 s PHE 719 Ca -0.02 -0.56 0.02 0.00 0.12 0.00 0.00 56.93 56.49 1aw7 s PHE 719 Cb -0.14 -0.36 0.06 0.00 -0.57 0.00 0.00 43.02 42.01 1aw7 s PHE 719 CO 0.03 -0.13 1.05 -0.40 -0.10 0.00 0.00 175.22 175.67 1aw7 n ASP 720 N 1.32 2.17 -4.83 1.36 5.75 -1.26 -1.65 116.55 119.41 1aw7 n ASP 720 Ca -0.22 -2.00 -0.37 0.00 -0.01 0.00 0.00 54.79 52.19 1aw7 n ASP 720 Cb 0.55 -0.04 -0.06 0.00 -1.03 0.00 0.00 41.12 40.54 1aw7 n ASP 720 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1aw7 s LYS 721 N -1.00 3.87 0.19 0.11 1.02 -1.26 -1.32 119.74 121.34 1aw7 s LYS 721 Ca 0.04 0.22 -0.09 0.00 0.02 0.00 0.00 55.97 56.16 1aw7 s LYS 721 Cb 0.02 -3.25 0.08 0.00 -0.52 0.00 0.00 37.83 34.16 1aw7 s LYS 721 CO 0.03 0.62 1.66 -0.22 -0.92 0.00 0.00 175.35 176.52 1aw7 h LYS 722 N 5.18 1.10 -6.17 1.68 3.64 -1.67 -3.44 116.57 116.89 1aw7 h LYS 722 Ca -0.50 -0.33 -0.57 0.00 -1.27 0.00 0.00 60.65 57.98 1aw7 h LYS 722 Cb 1.21 -0.11 -0.23 0.00 -0.41 0.00 0.00 32.23 32.69 1aw7 h LYS 722 CO 0.63 1.04 -0.83 1.14 -2.27 0.00 0.00 179.45 179.16 1aw7 s GLN 723 N -5.10 1.25 0.01 1.90 -2.07 -1.26 -0.62 119.66 113.77 1aw7 s GLN 723 Ca -0.12 -1.08 0.00 0.00 -1.82 0.00 0.00 55.36 52.34 1aw7 s GLN 723 Cb 0.14 -1.46 -0.01 0.00 -1.09 0.00 0.00 33.01 30.59 1aw7 s GLN 723 CO 0.86 0.35 -0.02 -0.51 -1.32 0.00 0.00 175.29 174.65 1aw7 s LEU 724 N -1.61 2.15 0.45 2.60 1.43 -1.00 -4.87 118.68 117.84 1aw7 s LEU 724 Ca 0.07 -0.31 -0.23 0.00 -1.03 0.00 0.00 54.13 52.62 1aw7 s LEU 724 Cb -0.10 0.04 -0.07 0.00 0.03 0.00 0.00 46.19 46.09 1aw7 s LEU 724 CO 0.03 -0.18 1.18 0.00 0.23 0.00 0.00 176.35 177.61 1aw7 s ALA 725 N -0.90 3.00 0.26 4.21 0.00 -1.26 -1.84 121.76 125.23 1aw7 s ALA 725 Ca -0.09 0.96 -0.03 0.00 0.00 0.00 0.00 51.96 52.80 1aw7 s ALA 725 Cb -0.06 -3.39 0.34 0.00 0.00 0.00 0.00 23.12 20.00 1aw7 s ALA 725 CO -0.01 -0.67 1.82 0.82 0.00 0.00 0.00 175.76 177.72 1aw7 h ILE 726 N 1.93 1.23 -0.59 0.00 2.04 -1.85 -1.05 117.51 119.22 1aw7 h ILE 726 Ca -0.49 -0.80 0.03 0.00 1.00 0.00 0.00 64.86 64.60 1aw7 h ILE 726 Cb 1.25 0.54 -0.03 0.00 -0.74 0.00 0.00 36.82 37.84 1aw7 h ILE 726 CO 0.60 0.31 0.39 0.77 0.00 0.00 0.00 178.15 180.23 1aw7 h SER 727 N 0.91 0.60 -0.31 1.72 4.64 -1.92 -0.18 113.55 119.01 1aw7 h SER 727 Ca 0.21 -0.01 -0.13 0.00 -0.47 0.00 0.00 61.79 61.39 1aw7 h SER 727 Cb 0.26 -0.14 -0.00 0.00 -0.31 0.00 0.00 62.40 62.20 1aw7 h SER 727 CO -0.01 0.41 -0.31 0.74 -0.87 0.00 0.00 176.83 176.79 1aw7 h THR 728 N 0.69 1.29 -0.49 2.95 2.02 -1.49 -2.47 112.91 115.41 1aw7 h THR 728 Ca 0.24 -1.48 0.01 0.00 0.77 0.00 0.00 66.41 65.94 1aw7 h THR 728 Cb 0.09 1.53 -0.03 0.00 -1.74 0.00 0.00 68.15 68.00 1aw7 h THR 728 CO -0.06 0.48 0.32 -0.07 0.37 0.00 0.00 175.52 176.56 1aw7 h LEU 729 N 0.53 0.55 0.07 2.58 3.38 -0.67 -1.57 115.31 120.18 1aw7 h LEU 729 Ca 0.05 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.03 1aw7 h LEU 729 Cb 0.89 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.47 1aw7 h LEU 729 CO 0.08 0.40 -0.21 -0.78 0.09 0.00 0.00 178.44 178.01 1aw7 h ASP 730 N 0.65 -0.61 -0.33 -0.43 3.58 -1.02 -0.83 116.42 117.44 1aw7 h ASP 730 Ca 0.18 0.08 -0.05 0.00 0.42 0.00 0.00 57.03 57.66 1aw7 h ASP 730 Cb -0.06 0.24 -0.02 0.00 1.72 0.00 0.00 39.33 41.21 1aw7 h ASP 730 CO -0.05 -0.29 0.05 2.19 -2.88 0.00 0.00 179.24 178.26 1aw7 h PHE 731 N -0.38 0.67 -0.24 0.28 -5.15 -1.28 -0.06 116.94 110.78 1aw7 h PHE 731 Ca 0.04 -0.06 -0.04 0.00 -0.20 0.00 0.00 57.97 57.71 1aw7 h PHE 731 Cb 0.42 -0.19 -0.01 0.00 0.22 0.00 0.00 35.95 36.39 1aw7 h PHE 731 CO -0.22 0.61 0.00 0.93 -2.00 0.00 0.00 178.31 177.63 1aw7 h GLU 732 N 0.62 0.42 0.43 6.09 4.39 -0.94 0.01 114.58 125.61 1aw7 h GLU 732 Ca 0.14 -0.13 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 1aw7 h GLU 732 Cb 0.31 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.93 1aw7 h GLU 732 CO 0.01 0.60 -0.21 0.82 -1.16 0.00 0.00 179.01 179.06 1aw7 h ILE 733 N 0.20 0.57 -0.58 3.13 2.04 -1.05 -2.34 117.51 119.47 1aw7 h ILE 733 Ca 0.07 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.70 1aw7 h ILE 733 Cb 0.40 0.68 -0.03 0.00 -0.74 0.00 0.00 36.82 37.13 1aw7 h ILE 733 CO 0.01 0.04 0.37 0.03 0.00 0.00 0.00 178.15 178.61 1aw7 h ARG 734 N -0.71 0.77 -0.54 2.37 3.08 -0.99 -0.59 114.38 117.77 1aw7 h ARG 734 Ca -0.06 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 59.94 1aw7 h ARG 734 Cb 0.51 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 30.37 1aw7 h ARG 734 CO 0.10 0.52 0.32 1.25 -1.07 0.00 0.00 179.97 181.09 1aw7 h HIS 735 N 0.79 0.71 -0.26 3.04 2.76 -0.89 -0.06 115.15 121.24 1aw7 h HIS 735 Ca 0.21 -0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.34 1aw7 h HIS 735 Cb -0.07 -0.23 -0.01 0.00 1.55 0.00 0.00 27.41 28.64 1aw7 h HIS 735 CO 0.00 0.49 0.00 0.00 -1.30 0.00 0.00 177.93 177.12 1aw7 h ALA 736 N 1.16 0.34 -0.68 5.26 0.00 -0.80 -2.35 119.26 122.19 1aw7 h ALA 736 Ca 0.19 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 54.90 1aw7 h ALA 736 Cb -0.01 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 1aw7 h ALA 736 CO -0.04 0.08 0.43 -0.07 0.00 0.00 0.00 179.25 179.65 1aw7 h LEU 737 N 0.23 0.72 -0.31 0.00 3.38 -0.63 -2.08 115.31 116.62 1aw7 h LEU 737 Ca 0.07 -0.01 -0.20 0.00 0.09 0.00 0.00 57.88 57.84 1aw7 h LEU 737 Cb 0.41 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1aw7 h LEU 737 CO 0.01 0.51 -0.85 0.71 0.09 0.00 0.00 178.44 178.91 1aw7 h THR 738 N 0.86 1.46 0.06 0.22 1.35 -1.02 -2.14 112.91 113.70 1aw7 h THR 738 Ca 0.26 -2.49 -0.00 0.00 -0.55 0.00 0.00 66.41 63.63 1aw7 h THR 738 Cb -0.03 2.38 0.00 0.00 -1.73 0.00 0.00 68.15 68.78 1aw7 h THR 738 CO -0.09 0.73 -0.03 1.56 -0.25 0.00 0.00 175.52 177.44 1aw7 h GLN 739 N 0.15 -0.08 0.15 4.72 4.20 -1.25 -3.14 115.11 119.86 1aw7 h GLN 739 Ca -0.04 0.01 -0.34 0.00 0.06 0.00 0.00 58.65 58.33 1aw7 h GLN 739 Cb 1.46 0.02 -0.00 0.00 0.30 0.00 0.00 27.48 29.26 1aw7 h GLN 739 CO 0.13 0.49 -1.71 0.82 -0.67 0.00 0.00 178.83 177.89 1aw7 h ILE 740 N -0.72 0.96 -0.01 2.54 2.04 -1.54 -3.40 117.51 117.39 1aw7 h ILE 740 Ca -0.01 -2.59 0.00 0.00 1.00 0.00 0.00 64.86 63.26 1aw7 h ILE 740 Cb 0.60 2.71 0.00 0.00 -0.74 0.00 0.00 36.82 39.39 1aw7 h ILE 740 CO 0.01 0.83 -0.50 1.41 0.00 0.00 0.00 178.15 179.90 1aw7 n HIS 741 N -3.50 0.00 -0.85 1.37 8.25 -0.88 -5.01 115.22 114.60 1aw7 n HIS 741 Ca -0.22 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.24 1aw7 n HIS 741 Cb 1.06 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.17 1aw7 n HIS 741 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1aw7 n GLY 742 N 1.28 0.61 3.57 -1.41 0.00 -0.86 -4.95 105.19 103.43 1aw7 n GLY 742 Ca 0.06 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.59 1aw7 n GLY 742 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1aw7 n LEU 743 N 0.00 1.41 0.00 0.99 7.94 -0.95 -0.25 117.00 126.15 1aw7 n LEU 743 Ca 0.00 1.14 0.00 0.00 -1.11 0.00 0.00 56.01 56.04 1aw7 n LEU 743 Cb 0.00 -1.20 0.00 0.00 0.53 0.00 0.00 43.42 42.75 1aw7 n LEU 743 CO 0.00 -1.35 0.00 -1.22 -1.11 0.00 0.00 177.39 173.71 1aw7 n TYR 744 N 1.51 0.00 1.33 1.96 4.01 0.72 -4.44 117.16 122.26 1aw7 n TYR 744 Ca 0.15 0.00 0.14 0.00 -0.16 0.00 0.00 57.90 58.03 1aw7 n TYR 744 Cb 0.24 -0.62 0.51 0.00 -0.31 0.00 0.00 39.34 39.17 1aw7 n TYR 744 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1aw7 n ARG 745 N -2.00 0.74 -3.46 -0.72 1.74 0.65 -4.85 116.66 108.76 1aw7 n ARG 745 Ca 0.00 -0.34 -0.14 0.00 -0.77 0.00 0.00 57.85 56.60 1aw7 n ARG 745 Cb 0.00 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 29.91 1aw7 n ARG 745 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1aw7 s SER 746 N -2.49 -0.58 0.00 0.55 1.04 -1.26 -5.00 113.70 105.96 1aw7 s SER 746 Ca 0.27 0.25 0.08 0.00 0.48 0.00 0.00 55.95 57.03 1aw7 s SER 746 Cb 0.20 0.56 0.36 0.00 0.10 0.00 0.00 66.02 67.23 1aw7 s SER 746 CO 0.49 -0.81 1.18 -1.54 0.98 0.00 0.00 173.24 173.54 1aw7 n SER 747 N 0.09 0.00 -0.94 7.02 3.41 -1.26 -1.97 113.62 119.98 1aw7 n SER 747 Ca -0.17 0.34 0.12 0.00 -0.26 0.00 0.00 58.87 58.90 1aw7 n SER 747 Cb 0.62 -0.40 0.25 0.00 -0.26 0.00 0.00 64.21 64.42 1aw7 n SER 747 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1aw7 n ASP 748 N -1.40 2.85 -3.37 4.04 5.75 -1.26 -4.56 116.55 118.60 1aw7 n ASP 748 Ca 0.03 -1.90 -0.26 0.00 -0.01 0.00 0.00 54.79 52.64 1aw7 n ASP 748 Cb 0.08 -0.16 -0.09 0.00 -1.03 0.00 0.00 41.12 39.92 1aw7 n ASP 748 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1aw7 n LYS 749 N 1.12 0.44 0.00 0.11 5.02 -0.83 -4.71 118.16 119.31 1aw7 n LYS 749 Ca 0.18 -3.28 0.00 0.00 -2.02 0.00 0.00 58.31 53.19 1aw7 n LYS 749 Cb 0.53 -1.61 0.00 0.00 -0.02 0.00 0.00 35.03 33.93 1aw7 n LYS 749 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1aw7 n THR 750 N 2.42 0.32 -3.25 -0.18 -2.24 -1.14 -0.20 114.28 110.01 1aw7 n THR 750 Ca 0.27 -0.32 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 1aw7 n THR 750 Cb 0.48 0.84 0.00 0.00 -2.10 0.00 0.00 70.33 69.55 1aw7 n THR 750 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1aw7 n GLY 751 N -0.16 2.59 0.00 3.38 0.00 -1.15 -4.23 105.19 105.62 1aw7 n GLY 751 Ca 0.00 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 44.84 1aw7 n GLY 751 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1aw7 n GLY 752 N 0.00 0.37 3.53 -0.02 0.00 -1.26 -2.37 105.19 105.45 1aw7 n GLY 752 Ca 0.00 -2.19 -0.08 0.00 0.00 0.00 0.00 46.02 43.75 1aw7 n GLY 752 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1aw7 s TYR 753 N 0.00 -0.33 0.16 1.61 -0.85 -0.95 0.39 117.35 117.38 1aw7 s TYR 753 Ca 0.00 0.16 0.10 0.00 -0.52 0.00 0.00 57.07 56.82 1aw7 s TYR 753 Cb 0.00 0.56 -0.04 0.00 0.38 0.00 0.00 41.96 42.85 1aw7 s TYR 753 CO 0.00 -0.62 -0.23 1.67 -1.52 0.00 0.00 175.55 174.85 1aw7 s TRP 754 N -3.21 2.14 -0.11 -3.49 1.48 -0.54 -1.47 118.94 113.74 1aw7 s TRP 754 Ca 0.06 -0.39 -0.07 0.00 -1.06 0.00 0.00 56.10 54.63 1aw7 s TRP 754 Cb -0.01 -1.11 0.04 0.00 -1.16 0.00 0.00 33.47 31.23 1aw7 s TRP 754 CO -0.08 0.38 0.26 0.21 -4.06 0.00 0.00 176.95 173.67 1aw7 s LYS 755 N -2.41 0.26 -0.11 3.25 2.20 0.37 -1.95 119.74 121.34 1aw7 s LYS 755 Ca 0.16 0.47 -0.00 0.00 -0.36 0.00 0.00 55.97 56.23 1aw7 s LYS 755 Cb -0.08 0.01 -0.02 0.00 -1.51 0.00 0.00 37.83 36.22 1aw7 s LYS 755 CO 0.07 -0.10 -0.10 0.42 -0.36 0.00 0.00 175.35 175.28 1aw7 s ILE 756 N 0.75 3.33 -0.16 5.43 1.01 0.19 -0.41 121.20 131.33 1aw7 s ILE 756 Ca -0.05 -0.58 0.00 0.00 0.00 0.00 0.00 60.65 60.02 1aw7 s ILE 756 Cb -0.06 -2.39 0.00 0.00 0.01 0.00 0.00 42.46 40.02 1aw7 s ILE 756 CO -0.05 0.54 -0.16 -0.89 0.00 0.00 0.00 174.94 174.38 1aw7 s THR 757 N 0.01 2.56 0.70 2.92 2.01 -0.52 -1.28 115.64 122.04 1aw7 s THR 757 Ca -0.03 -0.80 -0.06 0.00 0.31 0.00 0.00 61.69 61.12 1aw7 s THR 757 Cb -0.14 -2.08 0.07 0.00 0.01 0.00 0.00 72.50 70.36 1aw7 s THR 757 CO 0.04 0.51 1.00 -0.04 -0.69 0.00 0.00 174.62 175.44 1aw7 s MET 758 N 0.95 2.12 0.24 4.92 1.00 -0.48 -0.06 119.30 128.00 1aw7 s MET 758 Ca -0.03 -0.40 -0.06 0.00 0.00 0.00 0.00 55.69 55.21 1aw7 s MET 758 Cb -0.15 -2.21 0.25 0.00 0.00 0.00 0.00 34.83 32.73 1aw7 s MET 758 CO -0.03 -1.25 1.86 -0.91 0.00 0.00 0.00 175.02 174.69 1aw7 h ASN 759 N -0.56 1.07 -0.10 3.03 2.35 -1.45 -1.44 115.58 118.48 1aw7 h ASN 759 Ca -0.43 -0.11 0.00 0.00 -0.55 0.00 0.00 56.30 55.21 1aw7 h ASN 759 Cb 1.31 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 39.40 1aw7 h ASN 759 CO 0.57 0.87 0.00 -0.90 -1.65 0.00 0.00 177.43 176.32 1aw7 n ASP 760 N -4.32 0.57 0.00 5.81 5.75 -1.26 -4.89 116.55 118.20 1aw7 n ASP 760 Ca 0.09 -1.92 0.00 0.00 -0.01 0.00 0.00 54.79 52.95 1aw7 n ASP 760 Cb 0.12 -0.07 0.00 0.00 -1.03 0.00 0.00 41.12 40.14 1aw7 n ASP 760 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1aw7 n GLY 761 N 0.71 0.98 3.85 6.12 0.00 -0.54 -5.05 105.19 111.26 1aw7 n GLY 761 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 1aw7 n GLY 761 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1aw7 s SER 762 N -3.02 4.67 0.09 1.61 1.04 -1.26 -4.76 113.70 112.07 1aw7 s SER 762 Ca 0.00 1.09 -0.05 0.00 0.48 0.00 0.00 55.95 57.47 1aw7 s SER 762 Cb 0.00 -1.77 -0.02 0.00 0.10 0.00 0.00 66.02 64.33 1aw7 s SER 762 CO 0.00 -1.83 0.11 0.42 0.98 0.00 0.00 173.24 172.92 1aw7 s THR 763 N -3.33 0.15 0.08 2.02 -4.23 -1.26 -1.38 115.64 107.68 1aw7 s THR 763 Ca 0.61 -1.55 0.05 0.00 -1.18 0.00 0.00 61.69 59.61 1aw7 s THR 763 Cb -0.13 -1.60 -0.03 0.00 1.34 0.00 0.00 72.50 72.08 1aw7 s THR 763 CO 0.52 -0.68 -0.13 -0.31 -0.54 0.00 0.00 174.62 173.48 1aw7 s TYR 764 N -3.93 1.14 -0.02 3.99 1.51 -0.41 -4.99 117.35 114.65 1aw7 s TYR 764 Ca 0.11 -0.50 -0.30 0.00 -1.01 0.00 0.00 57.07 55.37 1aw7 s TYR 764 Cb 0.06 -0.64 0.07 0.00 -0.11 0.00 0.00 41.96 41.35 1aw7 s TYR 764 CO -0.07 0.04 0.68 1.14 -1.11 0.00 0.00 175.55 176.24 1aw7 s GLN 765 N -1.98 1.07 0.04 -0.62 -2.07 -1.26 -0.64 119.66 114.20 1aw7 s GLN 765 Ca -0.01 0.13 0.03 0.00 -1.82 0.00 0.00 55.36 53.68 1aw7 s GLN 765 Cb -0.08 0.50 -0.02 0.00 -1.09 0.00 0.00 33.01 32.32 1aw7 s GLN 765 CO 0.02 -0.36 -0.08 0.45 -1.32 0.00 0.00 175.29 173.99 1aw7 s SER 766 N -1.46 0.94 -0.12 12.60 0.15 -0.82 -4.99 113.70 120.00 1aw7 s SER 766 Ca -0.08 -0.52 -0.22 0.00 0.70 0.00 0.00 55.95 55.83 1aw7 s SER 766 Cb -0.00 0.02 -0.03 0.00 -1.71 0.00 0.00 66.02 64.29 1aw7 s SER 766 CO 0.06 -0.17 0.64 -0.62 1.20 0.00 0.00 173.24 174.35 1aw7 s ASP 767 N -1.49 6.84 0.26 5.45 -1.08 -1.26 -1.47 116.67 123.92 1aw7 s ASP 767 Ca -0.08 1.02 0.24 0.00 -0.52 0.00 0.00 52.55 53.21 1aw7 s ASP 767 Cb -0.09 -2.37 0.96 0.00 -1.46 0.00 0.00 42.92 39.95 1aw7 s ASP 767 CO 0.01 -0.15 1.73 0.18 0.52 0.00 0.00 175.17 177.46 1aw7 n LEU 768 N 4.16 0.71 0.09 -1.34 4.77 0.16 -3.21 117.00 122.35 1aw7 n LEU 768 Ca -0.02 0.65 0.13 0.00 -0.03 0.00 0.00 56.01 56.74 1aw7 n LEU 768 Cb 0.51 -0.53 0.45 0.00 -2.33 0.00 0.00 43.42 41.52 1aw7 n LEU 768 CO 0.45 -0.50 0.88 -1.54 -1.33 0.00 0.00 177.39 175.35 1aw7 n SER 769 N -2.26 0.61 -4.22 -1.43 3.41 -1.26 -4.69 113.62 103.79 1aw7 n SER 769 Ca 0.03 0.58 -0.12 0.00 -0.26 0.00 0.00 58.87 59.09 1aw7 n SER 769 Cb 0.27 -0.74 -0.10 0.00 -0.26 0.00 0.00 64.21 63.38 1aw7 n SER 769 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 1aw7 s LYS 770 N -3.13 1.11 0.70 4.33 -2.85 -1.20 -5.01 119.74 113.69 1aw7 s LYS 770 Ca 0.09 -1.55 -0.16 0.00 -1.00 0.00 0.00 55.97 53.35 1aw7 s LYS 770 Cb 0.12 -0.02 0.01 0.00 -2.06 0.00 0.00 37.83 35.88 1aw7 s LYS 770 CO 0.52 -0.24 1.09 1.17 0.10 0.00 0.00 175.35 177.99 1aw7 n LYS 771 N -0.23 0.67 -1.67 1.78 4.81 -1.26 -4.84 118.16 117.42 1aw7 n LYS 771 Ca -0.04 0.29 -0.43 0.00 -0.87 0.00 0.00 58.31 57.25 1aw7 n LYS 771 Cb 0.64 -2.33 -0.01 0.00 0.02 0.00 0.00 35.03 33.35 1aw7 n LYS 771 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1aw7 n PHE 772 N -2.37 2.03 -2.68 5.64 7.35 -1.26 -4.87 117.46 121.30 1aw7 n PHE 772 Ca 0.14 0.56 -0.42 0.00 -0.76 0.00 0.00 57.45 56.97 1aw7 n PHE 772 Cb 0.49 -2.39 -0.02 0.00 0.35 0.00 0.00 39.48 37.92 1aw7 n PHE 772 CO 0.00 0.00 0.00 -1.21 -0.76 0.00 0.00 176.76 174.79 1aw7 s GLU 773 N -1.51 3.78 0.37 -4.13 2.02 -1.26 -4.82 118.70 113.16 1aw7 s GLU 773 Ca 0.59 -1.70 0.05 0.00 0.02 0.00 0.00 54.97 53.93 1aw7 s GLU 773 Cb -0.62 -5.31 0.71 0.00 0.10 0.00 0.00 34.13 29.02 1aw7 s GLU 773 CO 0.59 -2.10 1.97 1.88 0.02 0.00 0.00 175.26 177.62 1aw7 h TYR 774 N 8.59 0.57 0.00 1.61 0.05 -1.99 -2.89 116.97 122.91 1aw7 h TYR 774 Ca 0.29 -0.02 0.00 0.00 0.05 0.00 0.00 58.73 59.05 1aw7 h TYR 774 Cb 0.95 -0.18 0.00 0.00 1.01 0.00 0.00 36.73 38.51 1aw7 h TYR 774 CO 1.29 0.45 0.00 0.09 -1.05 0.00 0.00 178.16 178.93 1aw7 n ASN 775 N -4.38 0.00 -0.06 3.88 4.13 -1.26 -2.39 115.26 115.18 1aw7 n ASN 775 Ca 0.03 0.32 0.01 0.00 1.68 0.00 0.00 54.58 56.62 1aw7 n ASN 775 Cb 0.14 -0.42 0.02 0.00 -1.54 0.00 0.00 39.78 37.98 1aw7 n ASN 775 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 1aw7 n THR 776 N -1.42 0.63 -1.74 3.41 -2.24 -1.10 -4.24 114.28 107.59 1aw7 n THR 776 Ca 0.06 -0.68 -0.42 0.00 -2.27 0.00 0.00 64.05 60.74 1aw7 n THR 776 Cb 0.18 0.60 -0.01 0.00 -2.10 0.00 0.00 70.33 69.00 1aw7 n THR 776 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1aw7 n GLU 777 N -0.37 2.45 -2.72 -0.78 2.13 -1.01 -4.91 120.64 115.43 1aw7 n GLU 777 Ca 0.02 0.86 -0.22 0.00 0.66 0.00 0.00 57.16 58.48 1aw7 n GLU 777 Cb 0.43 -2.55 0.03 0.00 0.27 0.00 0.00 31.44 29.63 1aw7 n GLU 777 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1aw7 s LYS 778 N -1.65 2.71 0.86 5.31 3.01 -1.26 -3.80 119.74 124.93 1aw7 s LYS 778 Ca 0.57 -0.62 -0.11 0.00 -1.01 0.00 0.00 55.97 54.80 1aw7 s LYS 778 Cb -0.52 -2.48 0.11 0.00 -1.01 0.00 0.00 37.83 33.92 1aw7 s LYS 778 CO 0.60 -0.60 1.10 -1.25 0.51 0.00 0.00 175.35 175.71 1aw7 s PRO 779 N -4.73 1.51 0.61 -1.68 0.04 -1.25 -4.66 135.00 124.84 1aw7 s PRO 779 Ca 0.54 1.15 -0.18 0.00 0.04 0.00 0.00 61.00 62.55 1aw7 s PRO 779 Cb -0.10 -1.81 -0.04 0.00 0.04 0.00 0.00 34.50 32.58 1aw7 s PRO 779 CO 0.39 -2.16 0.97 -2.30 0.04 0.00 0.00 177.00 173.93 1aw7 n PRO 780 N -3.87 0.86 -4.37 0.56 -0.02 -1.26 -4.74 135.00 122.16 1aw7 n PRO 780 Ca 0.09 0.34 -0.24 0.00 -2.02 0.00 0.00 63.50 61.67 1aw7 n PRO 780 Cb 0.53 -2.18 -0.09 0.00 -0.02 0.00 0.00 33.50 31.75 1aw7 n PRO 780 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 1aw7 s ILE 781 N -1.52 2.88 -0.23 4.25 -4.36 -0.77 -4.89 121.20 116.56 1aw7 s ILE 781 Ca 0.77 -2.10 -0.24 0.00 -0.26 0.00 0.00 60.65 58.82 1aw7 s ILE 781 Cb -0.41 -2.65 -0.01 0.00 1.25 0.00 0.00 42.46 40.64 1aw7 s ILE 781 CO 0.46 -0.33 0.80 0.20 0.24 0.00 0.00 174.94 176.32 1aw7 s ASN 782 N -3.63 6.83 0.31 4.36 0.01 -1.26 -2.37 114.94 119.19 1aw7 s ASN 782 Ca 0.32 1.02 0.26 0.00 -0.71 0.00 0.00 52.86 53.75 1aw7 s ASN 782 Cb -0.04 -2.43 0.93 0.00 0.41 0.00 0.00 41.25 40.12 1aw7 s ASN 782 CO 0.18 -0.47 1.77 0.16 -1.51 0.00 0.00 177.10 177.22 1aw7 h ILE 783 N 5.38 0.00 -0.00 0.60 3.07 -1.15 -2.28 117.51 123.13 1aw7 h ILE 783 Ca -0.25 -0.43 0.00 0.00 1.55 0.00 0.00 64.86 65.73 1aw7 h ILE 783 Cb 1.10 1.32 0.00 0.00 -0.27 0.00 0.00 36.82 38.97 1aw7 h ILE 783 CO 0.85 0.00 0.00 -0.90 -1.05 0.00 0.00 178.15 177.05 1aw7 n ASP 784 N -2.47 0.05 -0.92 2.16 5.75 -1.26 -2.63 116.55 117.23 1aw7 n ASP 784 Ca 0.03 -1.05 0.07 0.00 -0.01 0.00 0.00 54.79 53.84 1aw7 n ASP 784 Cb 0.34 -0.00 0.22 0.00 -1.03 0.00 0.00 41.12 40.65 1aw7 n ASP 784 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1aw7 n GLU 785 N -0.94 2.99 -2.80 0.11 1.02 -0.86 -4.96 120.64 115.20 1aw7 n GLU 785 Ca 0.23 -2.39 -0.42 0.00 -0.02 0.00 0.00 57.16 54.56 1aw7 n GLU 785 Cb 0.11 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.00 1aw7 n GLU 785 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1aw7 s ILE 786 N -1.43 4.86 -0.19 -3.67 1.01 -1.08 -1.12 121.20 119.59 1aw7 s ILE 786 Ca 0.34 1.83 -0.23 0.00 0.00 0.00 0.00 60.65 62.59 1aw7 s ILE 786 Cb 0.21 -4.22 -0.21 0.00 0.01 0.00 0.00 42.46 38.24 1aw7 s ILE 786 CO 0.18 0.05 0.36 0.50 0.00 0.00 0.00 174.94 176.04 1aw7 h LYS 787 N 7.12 0.02 -2.97 2.79 3.64 -0.70 -3.46 116.57 123.01 1aw7 h LYS 787 Ca -0.32 -0.04 -0.12 0.00 -1.27 0.00 0.00 60.65 58.90 1aw7 h LYS 787 Cb 1.15 0.01 -0.21 0.00 -0.41 0.00 0.00 32.23 32.78 1aw7 h LYS 787 CO 0.83 1.02 -0.27 0.95 -2.27 0.00 0.00 179.45 179.71 1aw7 s THR 788 N -2.34 0.04 -0.10 1.00 -4.23 -0.89 -4.94 115.64 104.18 1aw7 s THR 788 Ca -0.26 -0.35 0.03 0.00 -1.18 0.00 0.00 61.69 59.93 1aw7 s THR 788 Cb 0.04 -0.60 -0.01 0.00 1.34 0.00 0.00 72.50 73.27 1aw7 s THR 788 CO 0.63 -0.19 -0.20 -0.63 -0.54 0.00 0.00 174.62 173.69 1aw7 s ILE 789 N -0.97 2.47 -0.07 2.99 1.01 -1.22 -1.43 121.20 123.98 1aw7 s ILE 789 Ca -0.10 -0.89 -0.08 0.00 0.00 0.00 0.00 60.65 59.58 1aw7 s ILE 789 Cb -0.04 -1.97 0.02 0.00 0.01 0.00 0.00 42.46 40.48 1aw7 s ILE 789 CO 0.03 0.55 0.22 -1.83 0.00 0.00 0.00 174.94 173.92 1aw7 s GLU 790 N 0.13 0.31 0.14 2.79 -1.05 0.45 -2.40 118.70 119.07 1aw7 s GLU 790 Ca -0.10 0.20 0.07 0.00 -0.15 0.00 0.00 54.97 54.99 1aw7 s GLU 790 Cb -0.16 0.15 -0.04 0.00 -0.44 0.00 0.00 34.13 33.64 1aw7 s GLU 790 CO 0.06 -0.05 -0.16 0.00 0.95 0.00 0.00 175.26 176.06 1aw7 s ALA 791 N -0.14 1.68 -0.05 -0.84 0.00 -0.29 -0.48 121.76 121.64 1aw7 s ALA 791 Ca -0.02 -1.36 0.00 0.00 0.00 0.00 0.00 51.96 50.58 1aw7 s ALA 791 Cb -0.02 -0.12 0.02 0.00 0.00 0.00 0.00 23.12 23.00 1aw7 s ALA 791 CO 0.01 0.16 -0.02 -1.21 0.00 0.00 0.00 175.76 174.69 1aw7 s GLU 792 N -2.67 0.69 -0.13 0.00 2.02 -0.54 -1.84 118.70 116.23 1aw7 s GLU 792 Ca 0.11 -0.02 -0.04 0.00 0.02 0.00 0.00 54.97 55.05 1aw7 s GLU 792 Cb -0.05 -0.83 -0.03 0.00 0.10 0.00 0.00 34.13 33.31 1aw7 s GLU 792 CO 0.04 -0.16 0.01 0.42 0.02 0.00 0.00 175.26 175.60 1aw7 s ILE 793 N 1.25 4.39 0.00 -1.63 1.01 0.24 -2.23 121.20 124.24 1aw7 s ILE 793 Ca -0.06 -0.20 0.00 0.00 0.00 0.00 0.00 60.65 60.39 1aw7 s ILE 793 Cb -0.14 -2.90 0.00 0.00 0.01 0.00 0.00 42.46 39.43 1aw7 s ILE 793 CO -0.02 0.55 0.11 0.59 0.00 0.00 0.00 174.94 176.17