#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iu1 s ILE 704 N 0.00 4.85 0.34 -0.61 1.01 -1.26 -5.01 121.20 120.52 1iu1 s ILE 704 Ca 0.00 1.97 -0.28 0.00 0.00 0.00 0.00 60.65 62.34 1iu1 s ILE 704 Cb 0.00 -4.28 -0.10 0.00 0.01 0.00 0.00 42.46 38.08 1iu1 s ILE 704 CO 0.00 0.09 1.34 -2.84 0.00 0.00 0.00 174.94 173.53 1iu1 s PRO 705 N 1.51 4.29 0.59 2.79 0.02 -1.26 -4.62 135.00 138.32 1iu1 s PRO 705 Ca 0.48 2.28 -0.10 0.00 0.02 0.00 0.00 61.00 63.68 1iu1 s PRO 705 Cb -0.19 -3.04 -0.04 0.00 0.02 0.00 0.00 34.50 31.25 1iu1 s PRO 705 CO 0.22 -0.27 0.98 -1.12 -0.33 0.00 0.00 177.00 176.48 1iu1 s SER 706 N -0.43 6.27 0.12 2.53 0.01 -1.26 -4.76 113.70 116.17 1iu1 s SER 706 Ca 0.50 1.35 0.00 0.00 1.31 0.00 0.00 55.95 59.11 1iu1 s SER 706 Cb -0.41 -2.44 -0.04 0.00 0.21 0.00 0.00 66.02 63.34 1iu1 s SER 706 CO 0.55 -0.79 0.00 0.27 0.41 0.00 0.00 173.24 173.68 1iu1 s ILE 707 N -3.05 0.36 -0.41 1.44 -4.36 -0.71 -5.00 121.20 109.47 1iu1 s ILE 707 Ca 0.54 -1.91 -0.17 0.00 -0.26 0.00 0.00 60.65 58.85 1iu1 s ILE 707 Cb -0.11 -1.89 0.02 0.00 1.25 0.00 0.00 42.46 41.73 1iu1 s ILE 707 CO 0.50 -0.65 0.42 -0.89 0.24 0.00 0.00 174.94 174.56 1iu1 s THR 708 N -3.86 5.11 -0.18 8.37 2.01 -1.26 -0.95 115.64 124.88 1iu1 s THR 708 Ca 0.18 -0.31 0.16 0.00 0.31 0.00 0.00 61.69 62.03 1iu1 s THR 708 Cb 0.07 -4.00 0.07 0.00 0.01 0.00 0.00 72.50 68.65 1iu1 s THR 708 CO -0.01 -0.36 1.41 0.00 -0.69 0.00 0.00 174.62 174.96 1iu1 h ALA 709 N 8.68 0.69 -2.00 7.40 0.00 -1.10 -3.46 119.26 129.47 1iu1 h ALA 709 Ca -0.27 -0.44 -0.02 0.00 0.00 0.00 0.00 54.91 54.18 1iu1 h ALA 709 Cb 1.12 -0.05 -0.21 0.00 0.00 0.00 0.00 17.79 18.65 1iu1 h ALA 709 CO 0.77 0.59 0.09 -0.47 0.00 0.00 0.00 179.25 180.24 1iu1 s TYR 710 N -2.98 -0.89 -0.28 0.00 5.04 -1.11 -4.79 117.35 112.34 1iu1 s TYR 710 Ca 0.04 2.00 0.01 0.00 -2.44 0.00 0.00 57.07 56.67 1iu1 s TYR 710 Cb 0.07 0.40 0.16 0.00 0.35 0.00 0.00 41.96 42.94 1iu1 s TYR 710 CO 0.75 -0.43 0.44 0.45 -1.34 0.00 0.00 175.55 175.41 1iu1 s SER 711 N 0.81 -0.04 -0.25 4.32 0.15 -1.26 -0.21 113.70 117.23 1iu1 s SER 711 Ca -0.03 -0.02 -0.26 0.00 0.70 0.00 0.00 55.95 56.34 1iu1 s SER 711 Cb -0.05 1.31 0.08 0.00 -1.71 0.00 0.00 66.02 65.65 1iu1 s SER 711 CO -0.06 -0.32 0.76 -0.75 1.20 0.00 0.00 173.24 174.07 1iu1 s LYS 712 N 2.61 0.81 -1.45 5.44 2.20 -0.59 -4.94 119.74 123.81 1iu1 s LYS 712 Ca 0.12 0.87 -0.02 0.00 -0.36 0.00 0.00 55.97 56.59 1iu1 s LYS 712 Cb -0.13 0.39 0.01 0.00 -1.51 0.00 0.00 37.83 36.59 1iu1 s LYS 712 CO -0.25 -0.11 0.14 0.09 -0.36 0.00 0.00 175.35 174.87 1iu1 n ASN 713 N 2.46 -5.06 0.00 1.43 3.02 -1.26 -1.54 115.26 114.31 1iu1 n ASN 713 Ca -0.14 -0.02 0.00 0.00 -0.03 0.00 0.00 54.58 54.39 1iu1 n ASN 713 Cb 0.55 -4.21 0.00 0.00 -0.61 0.00 0.00 39.78 35.52 1iu1 n ASN 713 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1iu1 n GLY 714 N -1.04 1.69 3.66 7.41 0.00 -1.26 -4.93 105.19 110.71 1iu1 n GLY 714 Ca -0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.48 1iu1 n GLY 714 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1iu1 s LEU 715 N 0.00 4.12 -0.10 0.99 2.96 -0.59 -1.17 118.68 124.90 1iu1 s LEU 715 Ca 0.00 0.25 0.03 0.00 -0.22 0.00 0.00 54.13 54.20 1iu1 s LEU 715 Cb 0.00 -2.26 -0.01 0.00 0.50 0.00 0.00 46.19 44.43 1iu1 s LEU 715 CO 0.00 0.01 -0.22 -0.75 -1.32 0.00 0.00 176.35 174.07 1iu1 s LYS 716 N 1.19 3.03 -0.24 1.98 2.20 -0.34 -1.54 119.74 126.03 1iu1 s LYS 716 Ca 0.12 -0.84 0.02 0.00 -0.36 0.00 0.00 55.97 54.91 1iu1 s LYS 716 Cb -0.14 -2.35 0.05 0.00 -1.51 0.00 0.00 37.83 33.88 1iu1 s LYS 716 CO 0.06 0.23 -0.10 0.42 -0.36 0.00 0.00 175.35 175.60 1iu1 s ILE 717 N 0.24 1.90 -0.04 5.43 1.01 0.71 -0.90 121.20 129.54 1iu1 s ILE 717 Ca -0.14 -1.38 -0.04 0.00 0.00 0.00 0.00 60.65 59.09 1iu1 s ILE 717 Cb -0.17 -2.03 -0.04 0.00 0.01 0.00 0.00 42.46 40.23 1iu1 s ILE 717 CO 0.07 0.02 0.17 -1.61 0.00 0.00 0.00 174.94 173.60 1iu1 s GLU 718 N 1.24 3.45 -0.12 2.79 2.02 -0.56 -0.45 118.70 127.07 1iu1 s GLU 718 Ca -0.06 -0.25 0.00 0.00 0.02 0.00 0.00 54.97 54.68 1iu1 s GLU 718 Cb -0.19 -3.13 -0.02 0.00 0.10 0.00 0.00 34.13 30.90 1iu1 s GLU 718 CO -0.06 0.71 -0.12 -0.06 0.02 0.00 0.00 175.26 175.74 1iu1 s PHE 719 N -1.23 2.82 0.17 1.61 2.99 -0.13 -1.25 117.98 122.96 1iu1 s PHE 719 Ca 0.23 -0.51 0.10 0.00 0.00 0.00 0.00 56.93 56.75 1iu1 s PHE 719 Cb -0.12 -1.82 -0.04 0.00 0.00 0.00 0.00 43.02 41.04 1iu1 s PHE 719 CO 0.14 -0.11 -0.16 0.95 -0.00 0.00 0.00 175.22 176.04 1iu1 s THR 720 N 0.14 2.87 0.04 0.64 -4.23 -0.58 -1.74 115.64 112.78 1iu1 s THR 720 Ca -0.06 -1.73 0.06 0.00 -1.18 0.00 0.00 61.69 58.78 1iu1 s THR 720 Cb -0.15 -2.39 -0.02 0.00 1.34 0.00 0.00 72.50 71.28 1iu1 s THR 720 CO 0.04 -0.06 -0.16 -0.36 -0.54 0.00 0.00 174.62 173.54 1iu1 s PHE 721 N -1.57 1.39 -0.03 3.99 0.40 -1.26 -1.19 117.98 119.71 1iu1 s PHE 721 Ca 0.22 -0.36 -0.00 0.00 -0.60 0.00 0.00 56.93 56.19 1iu1 s PHE 721 Cb -0.09 -0.82 0.03 0.00 0.51 0.00 0.00 43.02 42.65 1iu1 s PHE 721 CO 0.12 0.05 0.03 -1.21 0.70 0.00 0.00 175.22 174.91 1iu1 s GLU 722 N -1.17 0.10 0.28 0.44 2.02 0.05 -4.67 118.70 115.75 1iu1 s GLU 722 Ca 0.03 0.19 -0.17 0.00 0.02 0.00 0.00 54.97 55.04 1iu1 s GLU 722 Cb -0.08 -0.42 -0.09 0.00 0.10 0.00 0.00 34.13 33.64 1iu1 s GLU 722 CO 0.01 -0.20 0.73 0.50 0.02 0.00 0.00 175.26 176.32 1iu1 s ARG 723 N 1.35 4.11 0.31 1.61 6.06 -1.26 -0.03 118.95 131.10 1iu1 s ARG 723 Ca -0.05 0.75 -0.28 0.00 -2.50 0.00 0.00 55.73 53.65 1iu1 s ARG 723 Cb -0.13 -2.63 -0.09 0.00 0.06 0.00 0.00 34.95 32.16 1iu1 s ARG 723 CO -0.03 0.26 1.10 0.45 -2.50 0.00 0.00 175.30 174.58 1iu1 s SER 724 N -2.00 7.13 0.36 -2.12 0.15 -0.47 -4.92 113.70 111.82 1iu1 s SER 724 Ca 0.49 2.24 0.20 0.00 0.70 0.00 0.00 55.95 59.58 1iu1 s SER 724 Cb -0.13 -2.62 0.21 0.00 -1.71 0.00 0.00 66.02 61.77 1iu1 s SER 724 CO 0.19 -0.24 1.48 0.78 1.20 0.00 0.00 173.24 176.65 1iu1 h ASN 725 N 3.50 0.00 0.00 5.45 2.35 -1.96 -3.33 115.58 121.59 1iu1 h ASN 725 Ca -0.47 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.28 1iu1 h ASN 725 Cb 1.21 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.58 1iu1 h ASN 725 CO 0.66 0.18 -1.77 0.35 -1.65 0.00 0.00 177.43 175.20 1iu1 n THR 726 N -3.10 0.00 -3.62 2.81 -2.24 -1.26 -4.88 114.28 102.00 1iu1 n THR 726 Ca 0.03 -0.40 -0.29 0.00 -2.27 0.00 0.00 64.05 61.12 1iu1 n THR 726 Cb 0.61 0.17 -0.15 0.00 -2.10 0.00 0.00 70.33 68.86 1iu1 n THR 726 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1iu1 s ASN 727 N -4.06 3.46 0.17 3.42 3.04 -1.25 -4.98 114.94 114.74 1iu1 s ASN 727 Ca -0.05 -1.25 0.11 0.00 0.04 0.00 0.00 52.86 51.71 1iu1 s ASN 727 Cb 0.13 -0.49 0.59 0.00 -1.54 0.00 0.00 41.25 39.94 1iu1 s ASN 727 CO 0.81 -0.41 1.31 -0.81 -3.04 0.00 0.00 177.10 174.95 1iu1 n PRO 728 N 5.13 0.07 0.00 0.43 -0.04 -1.26 -1.23 135.00 138.10 1iu1 n PRO 728 Ca -0.05 0.55 0.11 0.00 -0.04 0.00 0.00 63.50 64.07 1iu1 n PRO 728 Cb 0.43 -1.78 0.02 0.00 -0.04 0.00 0.00 33.50 32.14 1iu1 n PRO 728 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1iu1 n SER 729 N -1.87 2.20 -4.39 3.54 3.41 -1.26 -4.92 113.62 110.32 1iu1 n SER 729 Ca -0.01 -1.60 -0.35 0.00 -0.26 0.00 0.00 58.87 56.65 1iu1 n SER 729 Cb 0.06 0.39 -0.13 0.00 -0.26 0.00 0.00 64.21 64.27 1iu1 n SER 729 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1iu1 s VAL 730 N -2.39 3.81 -0.12 -3.33 1.01 -0.37 0.54 120.40 119.55 1iu1 s VAL 730 Ca 0.20 -0.35 0.03 0.00 0.00 0.00 0.00 61.98 61.86 1iu1 s VAL 730 Cb 0.18 -2.74 0.00 0.00 0.00 0.00 0.00 36.38 33.83 1iu1 s VAL 730 CO 0.52 0.40 -0.22 -0.89 0.00 0.00 0.00 175.10 174.92 1iu1 s THR 731 N 1.33 2.13 -0.24 3.92 2.01 -0.37 -1.36 115.64 123.06 1iu1 s THR 731 Ca 0.04 -0.97 -0.15 0.00 0.31 0.00 0.00 61.69 60.92 1iu1 s THR 731 Cb -0.15 -1.84 -0.04 0.00 0.01 0.00 0.00 72.50 70.49 1iu1 s THR 731 CO 0.00 0.55 0.36 -0.69 -0.69 0.00 0.00 174.62 174.16 1iu1 s VAL 732 N 0.58 5.20 -0.17 3.82 1.01 0.96 -1.17 120.40 130.63 1iu1 s VAL 732 Ca -0.13 0.59 -0.04 0.00 0.00 0.00 0.00 61.98 62.40 1iu1 s VAL 732 Cb -0.17 -3.69 -0.02 0.00 0.00 0.00 0.00 36.38 32.50 1iu1 s VAL 732 CO 0.04 0.21 -0.04 -0.63 0.00 0.00 0.00 175.10 174.68 1iu1 s ILE 733 N 1.67 3.78 -0.24 2.22 1.01 0.84 -0.77 121.20 129.71 1iu1 s ILE 733 Ca 0.16 -0.39 -0.07 0.00 0.00 0.00 0.00 60.65 60.35 1iu1 s ILE 733 Cb -0.15 -2.67 -0.03 0.00 0.01 0.00 0.00 42.46 39.62 1iu1 s ILE 733 CO 0.09 0.47 0.07 -0.89 0.00 0.00 0.00 174.94 174.68 1iu1 s THR 734 N 0.61 4.36 0.02 2.92 2.01 -0.33 -0.67 115.64 124.56 1iu1 s THR 734 Ca -0.03 -0.16 -0.03 0.00 0.31 0.00 0.00 61.69 61.79 1iu1 s THR 734 Cb -0.14 -3.03 -0.04 0.00 0.01 0.00 0.00 72.50 69.29 1iu1 s THR 734 CO 0.02 0.35 0.21 0.27 -0.69 0.00 0.00 174.62 174.79 1iu1 s ILE 735 N 1.48 5.40 -0.14 1.82 -4.36 0.75 -1.52 121.20 124.61 1iu1 s ILE 735 Ca 0.06 -0.16 -0.01 0.00 -0.26 0.00 0.00 60.65 60.28 1iu1 s ILE 735 Cb -0.15 -3.57 0.04 0.00 1.25 0.00 0.00 42.46 40.03 1iu1 s ILE 735 CO 0.04 0.28 -0.06 -1.10 0.24 0.00 0.00 174.94 174.34 1iu1 s GLN 736 N -2.07 1.40 -0.19 0.37 -0.21 -0.38 -1.80 119.66 116.77 1iu1 s GLN 736 Ca 0.30 -0.38 -0.07 0.00 0.02 0.00 0.00 55.36 55.22 1iu1 s GLN 736 Cb -0.13 -1.80 -0.04 0.00 1.00 0.00 0.00 33.01 32.05 1iu1 s GLN 736 CO 0.21 -0.37 0.07 0.00 -2.12 0.00 0.00 175.29 173.07 1iu1 s ALA 737 N 1.69 3.38 0.19 6.09 0.00 0.40 -1.50 121.76 132.01 1iu1 s ALA 737 Ca 0.03 -0.80 0.05 0.00 0.00 0.00 0.00 51.96 51.23 1iu1 s ALA 737 Cb -0.14 -1.95 -0.05 0.00 0.00 0.00 0.00 23.12 20.98 1iu1 s ALA 737 CO -0.08 0.09 -0.07 -1.54 0.00 0.00 0.00 175.76 174.16 1iu1 s SER 738 N 0.54 1.91 -0.16 0.00 1.04 -0.08 -1.18 113.70 115.77 1iu1 s SER 738 Ca 0.03 -1.10 -0.03 0.00 0.48 0.00 0.00 55.95 55.34 1iu1 s SER 738 Cb -0.13 -0.02 0.05 0.00 0.10 0.00 0.00 66.02 66.02 1iu1 s SER 738 CO 0.01 -0.38 0.03 0.21 0.98 0.00 0.00 173.24 174.09 1iu1 s ASN 739 N -3.24 2.54 0.00 7.02 2.47 -1.26 -1.20 114.94 121.27 1iu1 s ASN 739 Ca 0.22 -0.63 0.16 0.00 0.42 0.00 0.00 52.86 53.03 1iu1 s ASN 739 Cb 0.03 -0.53 0.46 0.00 -1.45 0.00 0.00 41.25 39.76 1iu1 s ASN 739 CO 0.04 -0.28 1.37 -1.54 -3.72 0.00 0.00 177.10 172.98 1iu1 n SER 740 N 5.09 2.41 -4.61 -4.21 3.41 -0.32 -1.00 113.62 114.40 1iu1 n SER 740 Ca -0.08 -1.96 -0.24 0.00 -0.26 0.00 0.00 58.87 56.33 1iu1 n SER 740 Cb 0.48 -0.27 0.12 0.00 -0.26 0.00 0.00 64.21 64.28 1iu1 n SER 740 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1iu1 s THR 741 N -1.45 2.07 -2.15 6.66 -4.23 -1.26 -4.68 115.64 110.60 1iu1 s THR 741 Ca 0.32 -0.56 0.27 0.00 -1.18 0.00 0.00 61.69 60.54 1iu1 s THR 741 Cb 0.17 -2.52 0.43 0.00 1.34 0.00 0.00 72.50 71.92 1iu1 s THR 741 CO 0.22 0.00 1.68 -0.62 -0.54 0.00 0.00 174.62 175.37 1iu1 n GLU 742 N -2.94 1.28 -4.85 3.99 1.02 -1.26 -0.55 120.64 117.33 1iu1 n GLU 742 Ca 0.16 -0.73 -0.25 0.00 -0.02 0.00 0.00 57.16 56.32 1iu1 n GLU 742 Cb 0.61 -1.48 -0.15 0.00 -0.02 0.00 0.00 31.44 30.39 1iu1 n GLU 742 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1iu1 s LEU 743 N -2.23 2.03 0.67 -4.62 1.43 -1.26 -4.82 118.68 109.89 1iu1 s LEU 743 Ca 0.32 -0.32 -0.17 0.00 -1.03 0.00 0.00 54.13 52.93 1iu1 s LEU 743 Cb 0.20 -0.91 -0.00 0.00 0.03 0.00 0.00 46.19 45.51 1iu1 s LEU 743 CO 0.42 0.22 1.21 0.47 0.23 0.00 0.00 176.35 178.90 1iu1 n ASP 744 N 2.65 1.65 -4.39 2.29 10.43 -1.26 -4.44 116.55 123.47 1iu1 n ASP 744 Ca -0.15 0.78 -0.37 0.00 2.57 0.00 0.00 54.79 57.62 1iu1 n ASP 744 Cb 0.54 -1.52 -0.12 0.00 1.84 0.00 0.00 41.12 41.86 1iu1 n ASP 744 CO 0.00 0.00 0.00 -0.04 -1.07 0.00 0.00 177.20 176.09 1iu1 s MET 745 N -3.38 3.33 0.38 -1.24 -1.94 -0.69 -4.65 119.30 111.11 1iu1 s MET 745 Ca 0.80 -0.70 0.08 0.00 -1.71 0.00 0.00 55.69 54.16 1iu1 s MET 745 Cb -0.37 -3.38 -0.04 0.00 2.01 0.00 0.00 34.83 33.05 1iu1 s MET 745 CO 0.43 -0.35 0.24 0.95 -0.01 0.00 0.00 175.02 176.28 1iu1 s THR 746 N 1.56 2.83 -1.59 2.05 -4.23 -0.23 -0.80 115.64 115.22 1iu1 s THR 746 Ca 0.04 -1.55 -0.15 0.00 -1.18 0.00 0.00 61.69 58.86 1iu1 s THR 746 Cb -0.16 -3.02 0.11 0.00 1.34 0.00 0.00 72.50 70.77 1iu1 s THR 746 CO 0.03 -0.09 0.88 0.47 -0.54 0.00 0.00 174.62 175.38 1iu1 n ASP 747 N -1.31 -3.98 -4.72 3.99 8.00 -0.59 -0.40 116.55 117.53 1iu1 n ASP 747 Ca -0.01 -0.88 -0.42 0.00 0.71 0.00 0.00 54.79 54.20 1iu1 n ASP 747 Cb 0.62 -3.44 -0.03 0.00 -0.02 0.00 0.00 41.12 38.25 1iu1 n ASP 747 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 1iu1 s PHE 748 N -3.33 3.43 -0.06 1.24 5.36 0.05 -4.29 117.98 120.39 1iu1 s PHE 748 Ca 0.65 1.32 0.00 0.00 -0.96 0.00 0.00 56.93 57.95 1iu1 s PHE 748 Cb -0.34 -3.43 0.02 0.00 -0.34 0.00 0.00 43.02 38.93 1iu1 s PHE 748 CO 0.87 -1.29 -0.04 0.08 -1.46 0.00 0.00 175.22 173.38 1iu1 s VAL 749 N 0.73 0.60 -0.19 3.12 1.01 0.20 -4.72 120.40 121.15 1iu1 s VAL 749 Ca 0.57 -0.10 -0.06 0.00 0.00 0.00 0.00 61.98 62.39 1iu1 s VAL 749 Cb -0.31 -0.66 -0.03 0.00 0.00 0.00 0.00 36.38 35.38 1iu1 s VAL 749 CO 0.31 0.27 0.04 0.12 0.00 0.00 0.00 175.10 175.83 1iu1 s PHE 750 N 1.33 3.15 0.14 5.22 5.36 -1.26 -1.92 117.98 129.99 1iu1 s PHE 750 Ca -0.04 -0.14 0.07 0.00 -0.96 0.00 0.00 56.93 55.85 1iu1 s PHE 750 Cb -0.14 -2.08 -0.04 0.00 -0.34 0.00 0.00 43.02 40.43 1iu1 s PHE 750 CO -0.02 -0.01 -0.15 -0.65 -1.46 0.00 0.00 175.22 172.93 1iu1 s GLN 751 N 0.64 1.11 0.07 10.12 -0.21 -0.41 -5.01 119.66 125.96 1iu1 s GLN 751 Ca 0.02 -1.32 -0.12 0.00 0.02 0.00 0.00 55.36 53.96 1iu1 s GLN 751 Cb -0.13 -1.00 0.01 0.00 1.00 0.00 0.00 33.01 32.89 1iu1 s GLN 751 CO 0.02 0.19 0.26 0.00 -2.12 0.00 0.00 175.29 173.64 1iu1 s ALA 752 N -2.27 -0.51 0.03 6.09 0.00 -1.26 -0.99 121.76 122.85 1iu1 s ALA 752 Ca 0.12 -0.27 0.02 0.00 0.00 0.00 0.00 51.96 51.83 1iu1 s ALA 752 Cb -0.04 0.44 -0.02 0.00 0.00 0.00 0.00 23.12 23.49 1iu1 s ALA 752 CO 0.04 -0.48 -0.06 0.00 0.00 0.00 0.00 175.76 175.26 1iu1 s ALA 753 N -3.23 0.47 0.25 0.00 0.00 -0.30 -4.99 121.76 113.95 1iu1 s ALA 753 Ca -0.00 -0.63 0.05 0.00 0.00 0.00 0.00 51.96 51.38 1iu1 s ALA 753 Cb 0.02 0.03 -0.05 0.00 0.00 0.00 0.00 23.12 23.12 1iu1 s ALA 753 CO -0.08 -0.02 -0.02 0.14 0.00 0.00 0.00 175.76 175.78 1iu1 s VAL 754 N -1.15 1.29 0.92 0.00 -7.23 -1.26 -1.71 120.40 111.26 1iu1 s VAL 754 Ca -0.09 -2.07 -0.10 0.00 -1.81 0.00 0.00 61.98 57.92 1iu1 s VAL 754 Cb -0.08 -2.40 0.15 0.00 0.56 0.00 0.00 36.38 34.60 1iu1 s VAL 754 CO 0.00 -0.30 1.12 -2.65 -0.31 0.00 0.00 175.10 172.96 1iu1 n PRO 755 N -0.50 -0.48 0.11 4.82 -0.02 -1.26 -4.85 135.00 132.82 1iu1 n PRO 755 Ca -0.05 -0.07 0.12 0.00 -2.02 0.00 0.00 63.50 61.47 1iu1 n PRO 755 Cb 0.64 -2.36 0.61 0.00 -0.02 0.00 0.00 33.50 32.37 1iu1 n PRO 755 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1iu1 h LYS 756 N -1.91 0.11 0.00 -0.52 6.56 -2.00 -0.15 116.57 118.66 1iu1 h LYS 756 Ca -0.43 -0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.15 1iu1 h LYS 756 Cb 1.27 -0.02 0.00 0.00 -0.57 0.00 0.00 32.23 32.91 1iu1 h LYS 756 CO 0.41 0.07 0.00 1.79 -2.06 0.00 0.00 179.45 179.66 1iu1 h THR 757 N 0.11 0.00 -3.20 -0.16 1.35 -1.98 -3.45 112.91 105.58 1iu1 h THR 757 Ca 0.13 -0.61 -0.47 0.00 -0.55 0.00 0.00 66.41 64.91 1iu1 h THR 757 Cb 0.36 1.58 0.04 0.00 -1.73 0.00 0.00 68.15 68.40 1iu1 h THR 757 CO -0.01 0.00 0.04 -0.36 -0.25 0.00 0.00 175.52 174.94 1iu1 s PHE 758 N -3.48 3.25 0.01 4.73 0.40 -0.07 -4.60 117.98 118.23 1iu1 s PHE 758 Ca 0.04 0.45 0.07 0.00 -0.60 0.00 0.00 56.93 56.89 1iu1 s PHE 758 Cb 0.08 -2.51 -0.02 0.00 0.51 0.00 0.00 43.02 41.08 1iu1 s PHE 758 CO 0.56 -0.57 -0.21 -0.65 0.70 0.00 0.00 175.22 175.05 1iu1 s GLN 759 N -4.77 1.54 -0.07 0.44 -0.21 -0.62 -4.86 119.66 111.12 1iu1 s GLN 759 Ca 0.51 -0.85 0.02 0.00 0.02 0.00 0.00 55.36 55.06 1iu1 s GLN 759 Cb -0.10 -1.58 0.01 0.00 1.00 0.00 0.00 33.01 32.34 1iu1 s GLN 759 CO 0.42 0.42 -0.12 -1.17 -2.12 0.00 0.00 175.29 172.71 1iu1 s LEU 760 N -0.85 1.63 -0.17 2.90 2.96 -1.26 -0.74 118.68 123.15 1iu1 s LEU 760 Ca 0.08 -0.30 0.00 0.00 -0.22 0.00 0.00 54.13 53.70 1iu1 s LEU 760 Cb -0.08 -0.82 0.01 0.00 0.50 0.00 0.00 46.19 45.80 1iu1 s LEU 760 CO 0.01 0.03 -0.17 -1.58 -1.32 0.00 0.00 176.35 173.31 1iu1 s GLN 761 N 0.69 3.11 -0.22 1.98 0.74 -0.33 -4.99 119.66 120.64 1iu1 s GLN 761 Ca -0.14 -0.79 -0.08 0.00 0.05 0.00 0.00 55.36 54.40 1iu1 s GLN 761 Cb -0.16 -2.62 -0.04 0.00 1.10 0.00 0.00 33.01 31.30 1iu1 s GLN 761 CO 0.03 -0.11 0.09 -0.51 -0.55 0.00 0.00 175.29 174.24 1iu1 s LEU 762 N 1.09 3.70 0.62 3.68 1.02 -1.26 -0.36 118.68 127.17 1iu1 s LEU 762 Ca -0.00 -0.04 -0.03 0.00 0.02 0.00 0.00 54.13 54.08 1iu1 s LEU 762 Cb -0.14 -1.97 0.04 0.00 0.02 0.00 0.00 46.19 44.14 1iu1 s LEU 762 CO -0.06 0.06 0.89 -0.76 0.02 0.00 0.00 176.35 176.50 1iu1 s LEU 763 N 1.07 3.07 0.32 1.79 1.43 0.08 -5.02 118.68 121.42 1iu1 s LEU 763 Ca 0.05 0.26 -0.29 0.00 -1.03 0.00 0.00 54.13 53.11 1iu1 s LEU 763 Cb -0.14 -3.03 -0.10 0.00 0.03 0.00 0.00 46.19 42.95 1iu1 s LEU 763 CO 0.03 -1.33 1.37 -0.44 0.23 0.00 0.00 176.35 176.21 1iu1 s SER 764 N -4.45 6.67 0.63 2.29 0.01 -1.26 -4.51 113.70 113.07 1iu1 s SER 764 Ca 0.58 2.75 -0.14 0.00 1.31 0.00 0.00 55.95 60.45 1iu1 s SER 764 Cb -0.11 -2.65 -0.02 0.00 0.21 0.00 0.00 66.02 63.46 1iu1 s SER 764 CO 0.42 -0.63 1.06 -2.16 0.41 0.00 0.00 173.24 172.33 1iu1 s PRO 765 N -1.56 3.20 0.48 12.44 0.04 -1.26 -4.55 135.00 143.79 1iu1 s PRO 765 Ca 0.52 1.11 0.20 0.00 0.04 0.00 0.00 61.00 62.87 1iu1 s PRO 765 Cb -0.41 -2.02 1.21 0.00 0.04 0.00 0.00 34.50 33.32 1iu1 s PRO 765 CO 0.53 -0.90 2.03 0.66 0.04 0.00 0.00 177.00 179.36 1iu1 h SER 766 N 0.05 0.00 -5.35 6.66 4.64 -1.16 -3.47 113.55 114.92 1iu1 h SER 766 Ca -0.46 0.00 0.15 0.00 -0.47 0.00 0.00 61.79 61.01 1iu1 h SER 766 Cb 1.22 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.26 1iu1 h SER 766 CO 0.57 0.16 0.53 -0.55 -0.87 0.00 0.00 176.83 176.67 1iu1 s SER 767 N -6.60 -0.05 -0.04 4.97 0.15 -1.26 -4.99 113.70 105.87 1iu1 s SER 767 Ca -0.03 -0.64 0.08 0.00 0.70 0.00 0.00 55.95 56.05 1iu1 s SER 767 Cb 0.15 0.53 0.19 0.00 -1.71 0.00 0.00 66.02 65.17 1iu1 s SER 767 CO 0.64 -1.04 1.14 -1.54 1.20 0.00 0.00 173.24 173.65 1iu1 n SER 768 N -1.02 2.51 -4.09 5.45 3.41 -1.26 -4.91 113.62 113.70 1iu1 n SER 768 Ca -0.04 -2.30 -0.30 0.00 -0.26 0.00 0.00 58.87 55.96 1iu1 n SER 768 Cb 0.60 -0.19 -0.17 0.00 -0.26 0.00 0.00 64.21 64.19 1iu1 n SER 768 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1iu1 s ILE 769 N -1.53 1.73 -0.45 -1.33 1.01 -1.26 -0.77 121.20 118.60 1iu1 s ILE 769 Ca 0.16 -0.77 -0.19 0.00 0.00 0.00 0.00 60.65 59.86 1iu1 s ILE 769 Cb 0.12 -1.56 0.03 0.00 0.01 0.00 0.00 42.46 41.06 1iu1 s ILE 769 CO 0.06 0.49 0.56 -0.69 0.00 0.00 0.00 174.94 175.35 1iu1 s VAL 770 N 1.03 4.94 0.38 2.92 1.01 0.02 -4.67 120.40 126.03 1iu1 s VAL 770 Ca -0.04 -0.24 -0.26 0.00 0.00 0.00 0.00 61.98 61.45 1iu1 s VAL 770 Cb -0.15 -4.17 -0.09 0.00 0.00 0.00 0.00 36.38 31.98 1iu1 s VAL 770 CO -0.04 -0.59 1.13 -2.16 0.00 0.00 0.00 175.10 173.44 1iu1 s PRO 771 N 2.50 4.18 0.95 2.72 0.04 -1.26 -1.70 135.00 142.42 1iu1 s PRO 771 Ca 0.16 1.76 -0.11 0.00 0.04 0.00 0.00 61.00 62.85 1iu1 s PRO 771 Cb -0.17 -2.73 0.16 0.00 0.04 0.00 0.00 34.50 31.81 1iu1 s PRO 771 CO 0.15 -0.19 1.09 0.00 0.04 0.00 0.00 177.00 178.09 1iu1 s ALA 772 N -1.43 1.14 -2.02 8.56 0.00 -1.26 -3.80 121.76 122.94 1iu1 s ALA 772 Ca 0.55 0.17 0.00 0.00 0.00 0.00 0.00 51.96 52.68 1iu1 s ALA 772 Cb -0.29 -3.30 0.00 0.00 0.00 0.00 0.00 23.12 19.53 1iu1 s ALA 772 CO 0.36 -2.76 0.00 1.19 0.00 0.00 0.00 175.76 174.55 1iu1 n PHE 773 N -4.20 -0.38 -3.11 0.00 3.01 0.29 -2.81 117.46 110.27 1iu1 n PHE 773 Ca 0.08 0.00 -0.22 0.00 1.01 0.00 0.00 57.45 58.32 1iu1 n PHE 773 Cb 0.54 -3.63 0.02 0.00 -0.01 0.00 0.00 39.48 36.39 1iu1 n PHE 773 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1iu1 n ASN 774 N -1.56 -4.98 -0.08 4.37 4.13 -0.17 -4.86 115.26 112.11 1iu1 n ASN 774 Ca -0.22 -0.29 0.15 0.00 1.68 0.00 0.00 54.58 55.90 1iu1 n ASN 774 Cb 0.68 -4.07 0.76 0.00 -1.54 0.00 0.00 39.78 35.61 1iu1 n ASN 774 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 1iu1 n THR 775 N -4.19 0.00 -0.96 3.41 -2.24 -1.12 -4.95 114.28 104.23 1iu1 n THR 775 Ca -0.08 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 1iu1 n THR 775 Cb 0.59 -0.28 0.00 0.00 -2.10 0.00 0.00 70.33 68.54 1iu1 n THR 775 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1iu1 n GLY 776 N 1.16 -1.27 3.24 3.38 0.00 -1.26 -5.06 105.19 105.39 1iu1 n GLY 776 Ca 0.19 -0.98 -0.14 0.00 0.00 0.00 0.00 46.02 45.08 1iu1 n GLY 776 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1iu1 s THR 777 N -2.31 0.09 -0.20 2.61 -4.23 -1.26 -4.54 115.64 105.80 1iu1 s THR 777 Ca 0.00 -2.00 -0.06 0.00 -1.18 0.00 0.00 61.69 58.45 1iu1 s THR 777 Cb 0.00 -2.52 -0.03 0.00 1.34 0.00 0.00 72.50 71.30 1iu1 s THR 777 CO 0.00 0.00 0.02 -0.63 -0.54 0.00 0.00 174.62 173.47 1iu1 s ILE 778 N -3.95 4.21 -0.10 2.99 1.01 -0.32 -4.91 121.20 120.13 1iu1 s ILE 778 Ca 0.39 -0.23 -0.03 0.00 0.00 0.00 0.00 60.65 60.78 1iu1 s ILE 778 Cb 0.06 -2.91 -0.03 0.00 0.01 0.00 0.00 42.46 39.59 1iu1 s ILE 778 CO 0.15 0.43 0.01 -0.89 0.00 0.00 0.00 174.94 174.64 1iu1 s THR 779 N 0.89 4.41 -0.13 2.92 2.01 -1.26 -0.45 115.64 124.03 1iu1 s THR 779 Ca 0.02 -0.20 -0.08 0.00 0.31 0.00 0.00 61.69 61.73 1iu1 s THR 779 Cb -0.14 -2.88 0.04 0.00 0.01 0.00 0.00 72.50 69.53 1iu1 s THR 779 CO 0.02 0.58 0.31 -1.58 -0.69 0.00 0.00 174.62 173.27 1iu1 s GLN 780 N -0.68 0.31 -0.17 4.92 0.74 -0.75 -0.50 119.66 123.54 1iu1 s GLN 780 Ca 0.11 0.55 -0.10 0.00 0.05 0.00 0.00 55.36 55.97 1iu1 s GLN 780 Cb -0.12 0.02 -0.05 0.00 1.10 0.00 0.00 33.01 33.97 1iu1 s GLN 780 CO 0.02 -0.11 0.18 0.08 -0.55 0.00 0.00 175.29 174.91 1iu1 s VAL 781 N 0.85 5.39 -0.01 1.34 1.01 -1.26 -0.18 120.40 127.54 1iu1 s VAL 781 Ca -0.06 0.30 0.07 0.00 0.00 0.00 0.00 61.98 62.30 1iu1 s VAL 781 Cb -0.07 -3.50 -0.02 0.00 0.00 0.00 0.00 36.38 32.79 1iu1 s VAL 781 CO -0.06 0.47 -0.23 -0.63 0.00 0.00 0.00 175.10 174.65 1iu1 s ILE 782 N 0.06 1.82 -0.11 2.22 1.01 0.16 -0.74 121.20 125.61 1iu1 s ILE 782 Ca 0.12 -1.00 0.02 0.00 0.00 0.00 0.00 60.65 59.78 1iu1 s ILE 782 Cb -0.12 -1.52 -0.01 0.00 0.01 0.00 0.00 42.46 40.82 1iu1 s ILE 782 CO 0.01 0.50 -0.16 -0.54 0.00 0.00 0.00 174.94 174.75 1iu1 s LYS 783 N -0.58 3.17 -0.18 2.79 1.02 0.51 -0.11 119.74 126.36 1iu1 s LYS 783 Ca 0.09 -0.74 -0.03 0.00 0.02 0.00 0.00 55.97 55.31 1iu1 s LYS 783 Cb -0.09 -2.50 -0.01 0.00 -0.52 0.00 0.00 37.83 34.71 1iu1 s LYS 783 CO -0.01 0.26 -0.07 0.08 -0.92 0.00 0.00 175.35 174.69 1iu1 s VAL 784 N 0.21 3.30 -0.25 3.17 1.01 -0.32 -1.18 120.40 126.34 1iu1 s VAL 784 Ca -0.10 -0.54 -0.10 0.00 0.00 0.00 0.00 61.98 61.24 1iu1 s VAL 784 Cb -0.16 -2.46 -0.05 0.00 0.00 0.00 0.00 36.38 33.72 1iu1 s VAL 784 CO 0.06 0.47 0.15 -0.22 0.00 0.00 0.00 175.10 175.56 1iu1 s LEU 785 N 0.98 4.01 -0.57 3.92 2.96 0.08 -1.24 118.68 128.83 1iu1 s LEU 785 Ca -0.01 0.05 0.07 0.00 -0.22 0.00 0.00 54.13 54.02 1iu1 s LEU 785 Cb -0.15 -2.08 0.25 0.00 0.50 0.00 0.00 46.19 44.71 1iu1 s LEU 785 CO -0.00 0.04 0.67 -3.20 -1.32 0.00 0.00 176.35 172.54 1iu1 n ASN 786 N 4.48 2.70 -0.17 3.68 2.85 0.19 -1.60 115.26 127.39 1iu1 n ASN 786 Ca -0.15 -3.22 0.20 0.00 -0.11 0.00 0.00 54.58 51.31 1iu1 n ASN 786 Cb 0.52 -0.66 0.59 0.00 1.24 0.00 0.00 39.78 41.46 1iu1 n ASN 786 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1iu1 h PRO 787 N 4.17 0.24 -0.74 1.20 0.11 -1.81 0.07 132.00 135.25 1iu1 h PRO 787 Ca 0.16 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.26 1iu1 h PRO 787 Cb 0.73 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.78 1iu1 h PRO 787 CO 0.72 0.16 0.00 1.04 -0.21 0.00 0.00 178.00 179.72 1iu1 n GLN 788 N -4.43 2.73 -4.12 1.05 6.02 -1.26 -4.97 117.38 112.40 1iu1 n GLN 788 Ca 0.16 -2.67 -0.30 0.00 -0.01 0.00 0.00 57.00 54.18 1iu1 n GLN 788 Cb 0.70 -1.57 -0.04 0.00 1.02 0.00 0.00 30.24 30.35 1iu1 n GLN 788 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 1iu1 n LYS 789 N 1.66 -2.73 -2.56 -1.09 4.81 0.01 -4.96 118.16 113.30 1iu1 n LYS 789 Ca 0.25 0.33 -0.25 0.00 -0.87 0.00 0.00 58.31 57.77 1iu1 n LYS 789 Cb 0.62 -4.53 0.03 0.00 0.02 0.00 0.00 35.03 31.17 1iu1 n LYS 789 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 1iu1 s GLN 790 N -6.84 2.78 -0.17 1.64 -0.21 -1.26 -4.82 119.66 110.78 1iu1 s GLN 790 Ca 0.25 -0.29 -0.36 0.00 0.02 0.00 0.00 55.36 54.98 1iu1 s GLN 790 Cb -0.14 -2.37 -0.12 0.00 1.00 0.00 0.00 33.01 31.38 1iu1 s GLN 790 CO 0.93 -0.67 1.89 0.94 -2.12 0.00 0.00 175.29 176.25 1iu1 n GLN 791 N -2.47 1.79 -1.99 2.91 -0.06 -1.26 -4.87 117.38 111.43 1iu1 n GLN 791 Ca 0.05 0.64 -0.42 0.00 -2.00 0.00 0.00 57.00 55.27 1iu1 n GLN 791 Cb 0.58 -2.50 -0.03 0.00 -4.06 0.00 0.00 30.24 24.23 1iu1 n GLN 791 CO 0.00 0.00 0.00 -1.17 -0.20 0.00 0.00 177.06 175.69 1iu1 s LEU 792 N 4.43 4.37 0.04 1.69 2.96 -1.26 -5.01 118.68 125.90 1iu1 s LEU 792 Ca 0.96 2.55 0.02 0.00 -0.22 0.00 0.00 54.13 57.45 1iu1 s LEU 792 Cb -0.80 -3.59 -0.02 0.00 0.50 0.00 0.00 46.19 42.28 1iu1 s LEU 792 CO 0.55 -0.77 -0.07 -0.13 -1.32 0.00 0.00 176.35 174.61 1iu1 s ARG 793 N 1.00 0.48 -0.26 1.98 0.52 -1.26 -4.89 118.95 116.52 1iu1 s ARG 793 Ca 0.68 -0.70 -0.25 0.00 -0.52 0.00 0.00 55.73 54.94 1iu1 s ARG 793 Cb -0.42 -0.22 0.07 0.00 0.52 0.00 0.00 34.95 34.90 1iu1 s ARG 793 CO 0.32 0.03 0.72 1.41 0.02 0.00 0.00 175.30 177.80 1iu1 s MET 794 N -1.47 0.84 -0.07 3.54 1.75 -1.26 -4.39 119.30 118.23 1iu1 s MET 794 Ca -0.10 0.98 0.03 0.00 -1.25 0.00 0.00 55.69 55.35 1iu1 s MET 794 Cb -0.10 0.41 -0.02 0.00 2.84 0.00 0.00 34.83 37.97 1iu1 s MET 794 CO 0.00 -0.11 -0.16 1.03 -0.65 0.00 0.00 175.02 175.14 1iu1 s ARG 795 N 0.34 2.73 0.14 4.11 0.52 -0.69 -0.82 118.95 125.28 1iu1 s ARG 795 Ca -0.00 -0.73 0.10 0.00 -0.52 0.00 0.00 55.73 54.58 1iu1 s ARG 795 Cb -0.05 -2.41 -0.04 0.00 0.52 0.00 0.00 34.95 32.97 1iu1 s ARG 795 CO 0.01 0.48 -0.21 0.96 0.02 0.00 0.00 175.30 176.56 1iu1 s ILE 796 N -0.36 2.60 -0.10 1.52 -4.36 0.13 -1.15 121.20 119.47 1iu1 s ILE 796 Ca 0.03 -1.69 0.02 0.00 -0.26 0.00 0.00 60.65 58.75 1iu1 s ILE 796 Cb -0.12 -2.20 0.01 0.00 1.25 0.00 0.00 42.46 41.40 1iu1 s ILE 796 CO 0.02 0.04 -0.14 -0.75 0.24 0.00 0.00 174.94 174.35 1iu1 s LYS 797 N -2.27 2.05 -0.09 0.37 2.20 -0.16 -0.89 119.74 120.95 1iu1 s LYS 797 Ca 0.18 -0.50 0.03 0.00 -0.36 0.00 0.00 55.97 55.32 1iu1 s LYS 797 Cb -0.10 -1.76 -0.01 0.00 -1.51 0.00 0.00 37.83 34.45 1iu1 s LYS 797 CO 0.09 -0.05 -0.19 -0.51 -0.36 0.00 0.00 175.35 174.32 1iu1 s LEU 798 N 0.96 2.38 0.02 5.43 1.43 0.03 -1.29 118.68 127.64 1iu1 s LEU 798 Ca -0.08 -0.42 0.03 0.00 -1.03 0.00 0.00 54.13 52.63 1iu1 s LEU 798 Cb -0.15 -1.48 -0.01 0.00 0.03 0.00 0.00 46.19 44.57 1iu1 s LEU 798 CO -0.01 0.21 -0.08 0.42 0.23 0.00 0.00 176.35 177.12 1iu1 s THR 799 N 0.04 0.63 -0.06 5.49 -4.23 -0.81 -0.87 115.64 115.83 1iu1 s THR 799 Ca -0.07 -0.70 -0.31 0.00 -1.18 0.00 0.00 61.69 59.43 1iu1 s THR 799 Cb -0.15 -0.60 0.12 0.00 1.34 0.00 0.00 72.50 73.21 1iu1 s THR 799 CO 0.05 -0.07 1.18 -0.72 -0.54 0.00 0.00 174.62 174.52 1iu1 s TYR 800 N -0.72 -0.11 -0.13 3.99 -0.85 -0.93 -0.63 117.35 117.97 1iu1 s TYR 800 Ca -0.02 0.00 -0.06 0.00 -0.52 0.00 0.00 57.07 56.47 1iu1 s TYR 800 Cb -0.06 0.55 -0.04 0.00 0.38 0.00 0.00 41.96 42.79 1iu1 s TYR 800 CO 0.00 -0.34 0.07 -0.80 -1.52 0.00 0.00 175.55 172.96 1iu1 s ASN 801 N -2.64 5.75 -0.26 -0.18 0.01 0.46 0.04 114.94 118.12 1iu1 s ASN 801 Ca 0.11 0.22 -0.18 0.00 -0.71 0.00 0.00 52.86 52.31 1iu1 s ASN 801 Cb 0.01 -1.85 0.07 0.00 0.41 0.00 0.00 41.25 39.90 1iu1 s ASN 801 CO -0.04 0.31 0.66 -2.28 -1.51 0.00 0.00 177.10 174.24 1iu1 s HIS 802 N -0.45 -0.92 -1.64 2.20 2.46 -0.41 -1.07 115.29 115.46 1iu1 s HIS 802 Ca 0.10 1.95 -0.01 0.00 0.47 0.00 0.00 55.06 57.57 1iu1 s HIS 802 Cb -0.12 0.48 0.00 0.00 -0.13 0.00 0.00 32.58 32.81 1iu1 s HIS 802 CO 0.02 -0.46 0.09 1.63 -2.47 0.00 0.00 174.74 173.55 1iu1 n LYS 803 N 3.80 -2.23 -0.92 2.88 5.02 -1.26 -0.96 118.16 124.48 1iu1 n LYS 803 Ca -0.18 0.93 0.00 0.00 -2.02 0.00 0.00 58.31 57.04 1iu1 n LYS 803 Cb 0.57 -5.62 0.00 0.00 -0.02 0.00 0.00 35.03 29.97 1iu1 n LYS 803 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1iu1 n GLY 804 N -1.06 0.71 3.53 0.72 0.00 -1.26 -5.04 105.19 102.79 1iu1 n GLY 804 Ca -0.21 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.54 1iu1 n GLY 804 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1iu1 s SER 805 N -2.39 4.04 -0.53 1.61 0.01 -0.13 -5.08 113.70 111.23 1iu1 s SER 805 Ca 0.00 -0.65 -0.24 0.00 1.31 0.00 0.00 55.95 56.37 1iu1 s SER 805 Cb 0.00 -0.60 0.04 0.00 0.21 0.00 0.00 66.02 65.67 1iu1 s SER 805 CO 0.00 0.11 0.90 0.00 0.41 0.00 0.00 173.24 174.66 1iu1 s ALA 806 N -1.70 3.20 0.21 1.44 0.00 -1.26 -1.29 121.76 122.37 1iu1 s ALA 806 Ca 0.24 -1.20 -0.16 0.00 0.00 0.00 0.00 51.96 50.84 1iu1 s ALA 806 Cb -0.09 -3.66 -0.08 0.00 0.00 0.00 0.00 23.12 19.29 1iu1 s ALA 806 CO 0.14 -2.27 0.65 -1.64 0.00 0.00 0.00 175.76 172.65 1iu1 s MET 807 N 3.75 4.08 -0.08 0.00 1.00 0.11 -4.97 119.30 123.19 1iu1 s MET 807 Ca 0.30 0.66 -0.10 0.00 0.00 0.00 0.00 55.69 56.55 1iu1 s MET 807 Cb -0.13 -2.80 0.02 0.00 0.00 0.00 0.00 34.83 31.93 1iu1 s MET 807 CO 0.20 0.38 0.26 -1.14 0.00 0.00 0.00 175.02 174.72 1iu1 s GLN 808 N -2.21 0.39 -0.01 2.03 0.74 -1.26 -2.18 119.66 117.16 1iu1 s GLN 808 Ca 0.44 0.20 -0.10 0.00 0.05 0.00 0.00 55.36 55.94 1iu1 s GLN 808 Cb -0.15 0.18 0.01 0.00 1.10 0.00 0.00 33.01 34.16 1iu1 s GLN 808 CO 0.20 -0.07 0.21 0.34 -0.55 0.00 0.00 175.29 175.42 1iu1 s ASP 809 N -0.27 -0.08 -0.09 6.67 -1.08 -0.05 -4.98 116.67 116.80 1iu1 s ASP 809 Ca -0.04 -0.03 0.02 0.00 -0.52 0.00 0.00 52.55 51.97 1iu1 s ASP 809 Cb -0.03 0.27 0.02 0.00 -1.46 0.00 0.00 42.92 41.72 1iu1 s ASP 809 CO 0.01 -0.37 -0.12 -0.22 0.52 0.00 0.00 175.17 174.99 1iu1 s LEU 810 N -1.21 1.57 -0.04 -1.34 2.96 -1.26 -0.79 118.68 118.56 1iu1 s LEU 810 Ca -0.13 -0.34 -0.13 0.00 -0.22 0.00 0.00 54.13 53.31 1iu1 s LEU 810 Cb -0.06 -0.91 0.02 0.00 0.50 0.00 0.00 46.19 45.74 1iu1 s LEU 810 CO 0.02 -0.00 0.30 0.00 -1.32 0.00 0.00 176.35 175.35 1iu1 s ALA 811 N 0.98 -0.75 0.21 5.97 0.00 -0.07 -4.98 121.76 123.13 1iu1 s ALA 811 Ca -0.08 0.46 -0.23 0.00 0.00 0.00 0.00 51.96 52.11 1iu1 s ALA 811 Cb -0.15 -0.10 -0.08 0.00 0.00 0.00 0.00 23.12 22.79 1iu1 s ALA 811 CO -0.00 -0.22 0.77 -2.00 0.00 0.00 0.00 175.76 174.31 1iu1 s GLU 812 N -0.89 4.43 -0.33 0.00 2.56 -1.26 0.17 118.70 123.38 1iu1 s GLU 812 Ca -0.10 1.05 -0.22 0.00 0.00 0.00 0.00 54.97 55.70 1iu1 s GLU 812 Cb -0.05 -3.03 -0.00 0.00 2.00 0.00 0.00 34.13 33.05 1iu1 s GLU 812 CO 0.03 0.46 0.71 0.08 -0.56 0.00 0.00 175.26 175.98 1iu1 s VAL 813 N -1.38 4.84 -2.25 3.70 1.01 -0.00 -4.92 120.40 121.40 1iu1 s VAL 813 Ca 0.41 0.92 0.24 0.00 0.00 0.00 0.00 61.98 63.54 1iu1 s VAL 813 Cb -0.20 -4.10 0.10 0.00 0.00 0.00 0.00 36.38 32.18 1iu1 s VAL 813 CO 0.23 -0.26 1.22 0.59 0.00 0.00 0.00 175.10 176.88 1iu1 n ASN 814 N 6.12 2.12 -2.60 3.32 3.02 -1.26 -4.48 115.26 121.50 1iu1 n ASN 814 Ca 0.01 -1.56 -0.14 0.00 -0.03 0.00 0.00 54.58 52.87 1iu1 n ASN 814 Cb 0.48 0.30 0.02 0.00 -0.61 0.00 0.00 39.78 39.98 1iu1 n ASN 814 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 1iu1 n ASN 815 N 0.24 2.49 -4.74 6.41 6.94 -1.26 -5.05 115.26 120.29 1iu1 n ASN 815 Ca 0.11 -2.96 -0.41 0.00 -0.02 0.00 0.00 54.58 51.31 1iu1 n ASN 815 Cb 0.48 -0.50 -0.05 0.00 -2.36 0.00 0.00 39.78 37.36 1iu1 n ASN 815 CO 0.00 0.00 0.00 -0.36 -1.03 0.00 0.00 177.26 175.87 1iu1 s PHE 816 N -3.33 3.70 0.38 -2.53 0.40 -1.26 -4.92 117.98 110.43 1iu1 s PHE 816 Ca 0.34 1.71 -0.20 0.00 -0.60 0.00 0.00 56.93 58.18 1iu1 s PHE 816 Cb 0.43 -3.19 -0.10 0.00 0.51 0.00 0.00 43.02 40.67 1iu1 s PHE 816 CO -0.03 -0.27 0.89 -1.25 0.70 0.00 0.00 175.22 175.26 1iu1 s PRO 817 N -0.72 4.20 0.40 0.24 0.04 -1.26 -4.95 135.00 132.94 1iu1 s PRO 817 Ca 0.46 1.01 0.16 0.00 0.04 0.00 0.00 61.00 62.67 1iu1 s PRO 817 Cb -0.28 -2.33 1.03 0.00 0.04 0.00 0.00 34.50 32.96 1iu1 s PRO 817 CO 0.35 0.06 1.83 -1.35 0.04 0.00 0.00 177.00 177.93 1iu1 h PRO 818 N 2.17 0.45 0.00 0.56 0.11 -1.99 -0.44 132.00 132.86 1iu1 h PRO 818 Ca -0.48 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1iu1 h PRO 818 Cb 1.18 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1iu1 h PRO 818 CO 0.63 0.30 0.00 1.96 -0.21 0.00 0.00 178.00 180.67 1iu1 h GLN 819 N 0.46 0.00 0.00 1.05 4.20 -1.92 -0.45 115.11 118.45 1iu1 h GLN 819 Ca 0.51 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.22 1iu1 h GLN 819 Cb 1.20 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.98 1iu1 h GLN 819 CO -0.23 0.00 0.00 -1.13 -0.67 0.00 0.00 178.83 176.80 1iu1 n SER 820 N -2.48 0.00 0.00 1.46 3.41 -0.17 -4.33 113.62 111.50 1iu1 n SER 820 Ca 0.00 0.26 0.00 0.00 -0.26 0.00 0.00 58.87 58.87 1iu1 n SER 820 Cb 0.16 -0.41 0.00 0.00 -0.26 0.00 0.00 64.21 63.70 1iu1 n SER 820 CO 0.00 0.00 0.00 -2.67 -0.16 0.00 0.00 175.04 172.21 1iu1 n TRP 821 N -1.41 0.00 1.05 7.33 4.27 -0.89 -4.85 117.44 122.94 1iu1 n TRP 821 Ca 0.08 0.00 0.08 0.00 -3.89 0.00 0.00 57.50 53.78 1iu1 n TRP 821 Cb 0.25 0.00 0.50 0.00 -1.36 0.00 0.00 31.31 30.70 1iu1 n TRP 821 CO 0.00 0.00 0.00 1.04 -2.29 0.00 0.00 177.69 176.44