#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2iv9 s ALA 703 N 0.00 0.74 0.31 -5.12 0.00 -1.26 -5.07 121.76 111.36 2iv9 s ALA 703 Ca 0.00 -0.80 -0.30 0.00 0.00 0.00 0.00 51.96 50.87 2iv9 s ALA 703 Cb 0.00 -0.01 -0.12 0.00 0.00 0.00 0.00 23.12 22.99 2iv9 s ALA 703 CO 0.00 0.04 1.52 -2.30 0.00 0.00 0.00 175.76 175.02 2iv9 n PRO 704 N 1.52 2.55 0.00 0.00 -0.02 -1.26 -0.37 135.00 137.41 2iv9 n PRO 704 Ca -0.22 0.90 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 2iv9 n PRO 704 Cb 0.55 -2.64 0.00 0.00 -0.02 0.00 0.00 33.50 31.39 2iv9 n PRO 704 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2iv9 n GLY 705 N 1.68 3.04 0.00 -1.23 0.00 -1.26 -4.98 105.19 102.44 2iv9 n GLY 705 Ca 0.07 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.28 2iv9 n GLY 705 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2iv9 n GLY 706 N 0.00 -0.88 3.67 -0.02 0.00 0.50 -4.63 105.19 103.83 2iv9 n GLY 706 Ca 0.00 -2.01 -0.43 0.00 0.00 0.00 0.00 46.02 43.58 2iv9 n GLY 706 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2iv9 s TYR 707 N 0.00 3.00 -0.18 1.61 5.04 -1.26 -4.46 117.35 121.09 2iv9 s TYR 707 Ca 0.00 1.10 -0.02 0.00 -2.44 0.00 0.00 57.07 55.70 2iv9 s TYR 707 Cb 0.00 -3.47 -0.01 0.00 0.35 0.00 0.00 41.96 38.83 2iv9 s TYR 707 CO 0.00 -1.53 -0.08 0.08 -1.34 0.00 0.00 175.55 172.68 2iv9 s VAL 708 N 2.94 3.23 0.46 3.14 1.01 -1.26 -4.95 120.40 124.96 2iv9 s VAL 708 Ca 0.55 -0.56 -0.22 0.00 0.00 0.00 0.00 61.98 61.74 2iv9 s VAL 708 Cb -0.23 -2.42 -0.08 0.00 0.00 0.00 0.00 36.38 33.65 2iv9 s VAL 708 CO 0.18 0.47 1.12 0.00 0.00 0.00 0.00 175.10 176.87 2iv9 s ALA 709 N 1.01 2.95 0.77 5.51 0.00 -1.26 -5.01 121.76 125.72 2iv9 s ALA 709 Ca -0.00 0.84 -0.15 0.00 0.00 0.00 0.00 51.96 52.65 2iv9 s ALA 709 Cb -0.15 -3.34 0.06 0.00 0.00 0.00 0.00 23.12 19.69 2iv9 s ALA 709 CO -0.01 -0.54 1.23 -0.35 0.00 0.00 0.00 175.76 176.10 2iv9 n PRO 710 N -0.55 0.43 -1.76 0.00 -0.04 -1.26 -4.77 135.00 127.05 2iv9 n PRO 710 Ca 0.08 0.22 -0.41 0.00 -0.04 0.00 0.00 63.50 63.34 2iv9 n PRO 710 Cb 0.49 -2.47 -0.01 0.00 -0.04 0.00 0.00 33.50 31.48 2iv9 n PRO 710 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2iv9 n LYS 711 N -2.92 2.70 -4.39 0.54 5.02 -1.26 -4.80 118.16 113.05 2iv9 n LYS 711 Ca 0.14 0.95 -0.30 0.00 -2.02 0.00 0.00 58.31 57.09 2iv9 n LYS 711 Cb 0.50 -2.71 -0.12 0.00 -0.02 0.00 0.00 35.03 32.67 2iv9 n LYS 711 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2iv9 s ALA 712 N -0.52 2.61 -0.04 7.82 0.00 -0.72 -4.83 121.76 126.09 2iv9 s ALA 712 Ca 0.59 -1.34 -0.30 0.00 0.00 0.00 0.00 51.96 50.91 2iv9 s ALA 712 Cb -0.48 -0.62 -0.06 0.00 0.00 0.00 0.00 23.12 21.95 2iv9 s ALA 712 CO 0.56 0.58 1.66 0.08 0.00 0.00 0.00 175.76 178.64 2iv9 s VAL 713 N -1.09 3.52 -0.23 0.00 1.01 -1.26 -1.07 120.40 121.28 2iv9 s VAL 713 Ca 0.17 0.67 0.06 0.00 0.00 0.00 0.00 61.98 62.88 2iv9 s VAL 713 Cb -0.10 -3.43 -0.20 0.00 0.00 0.00 0.00 36.38 32.65 2iv9 s VAL 713 CO 0.09 -0.05 -0.11 0.79 0.00 0.00 0.00 175.10 175.81 2iv9 n TRP 714 N 6.98 0.07 -3.76 5.22 8.01 0.71 -4.86 117.44 129.81 2iv9 n TRP 714 Ca 0.17 0.02 -0.29 0.00 -1.31 0.00 0.00 57.50 56.09 2iv9 n TRP 714 Cb 0.43 -1.01 -0.16 0.00 -2.01 0.00 0.00 31.31 28.56 2iv9 n TRP 714 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.69 175.51 2iv9 s LEU 715 N -6.27 1.76 0.34 -0.99 2.96 -0.29 -4.68 118.68 111.51 2iv9 s LEU 715 Ca -0.27 -1.20 -0.27 0.00 -0.22 0.00 0.00 54.13 52.16 2iv9 s LEU 715 Cb 0.08 -0.77 -0.09 0.00 0.50 0.00 0.00 46.19 45.91 2iv9 s LEU 715 CO 0.67 -0.34 1.18 -2.84 -1.32 0.00 0.00 176.35 173.70 2iv9 s PRO 716 N 1.71 4.32 0.46 0.98 0.02 -1.26 -0.52 135.00 140.71 2iv9 s PRO 716 Ca 0.03 1.91 0.23 0.00 0.02 0.00 0.00 61.00 63.19 2iv9 s PRO 716 Cb -0.17 -2.94 1.23 0.00 0.02 0.00 0.00 34.50 32.64 2iv9 s PRO 716 CO -0.15 -0.11 1.86 0.00 -0.33 0.00 0.00 177.00 178.27 2iv9 h ALA 717 N 3.20 2.44 -0.28 -1.55 0.00 -1.84 0.08 119.26 121.30 2iv9 h ALA 717 Ca -0.48 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.41 2iv9 h ALA 717 Cb 1.22 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 2iv9 h ALA 717 CO 0.65 -0.72 0.05 0.28 0.00 0.00 0.00 179.25 179.51 2iv9 h VAL 718 N 0.26 1.15 -0.01 0.00 2.07 -1.91 0.50 116.25 118.30 2iv9 h VAL 718 Ca 0.46 -0.53 0.00 0.00 0.82 0.00 0.00 66.70 67.45 2iv9 h VAL 718 Cb 1.38 0.88 0.00 0.00 -1.52 0.00 0.00 31.29 32.03 2iv9 h VAL 718 CO -0.12 0.19 -0.23 0.29 0.02 0.00 0.00 177.57 177.71 2iv9 n LYS 719 N -4.36 1.13 -1.76 1.57 5.02 0.00 -4.40 118.16 115.36 2iv9 n LYS 719 Ca 0.01 -0.73 0.02 0.00 -2.02 0.00 0.00 58.31 55.59 2iv9 n LYS 719 Cb 0.18 -1.48 0.05 0.00 -0.02 0.00 0.00 35.03 33.75 2iv9 n LYS 719 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2iv9 n ALA 720 N -0.30 2.73 -3.90 7.82 0.00 -0.95 -4.98 120.51 120.93 2iv9 n ALA 720 Ca 0.13 -2.65 -0.29 0.00 0.00 0.00 0.00 53.44 50.63 2iv9 n ALA 720 Cb 0.38 -0.70 0.02 0.00 0.00 0.00 0.00 19.45 19.15 2iv9 n ALA 720 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2iv9 n LYS 721 N -0.05 -5.20 0.00 0.00 5.02 -1.04 -2.03 118.16 114.86 2iv9 n LYS 721 Ca 0.10 0.58 0.00 0.00 -2.02 0.00 0.00 58.31 56.97 2iv9 n LYS 721 Cb 0.99 -5.37 0.00 0.00 -0.02 0.00 0.00 35.03 30.63 2iv9 n LYS 721 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2iv9 n GLY 722 N -1.67 3.18 3.66 0.72 0.00 0.12 -4.70 105.19 106.51 2iv9 n GLY 722 Ca -0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.56 2iv9 n GLY 722 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2iv9 s LEU 723 N 0.00 4.10 -0.17 0.99 2.96 -0.86 0.21 118.68 125.91 2iv9 s LEU 723 Ca 0.00 1.38 -0.03 0.00 -0.22 0.00 0.00 54.13 55.26 2iv9 s LEU 723 Cb 0.00 -3.53 -0.02 0.00 0.50 0.00 0.00 46.19 43.14 2iv9 s LEU 723 CO 0.00 -0.66 -0.06 -0.70 -1.32 0.00 0.00 176.35 173.61 2iv9 s GLU 724 N 3.15 3.49 -0.13 1.98 2.12 0.24 -3.32 118.70 126.24 2iv9 s GLU 724 Ca 0.44 -0.60 0.02 0.00 0.36 0.00 0.00 54.97 55.19 2iv9 s GLU 724 Cb -0.15 -2.87 0.01 0.00 0.26 0.00 0.00 34.13 31.38 2iv9 s GLU 724 CO 0.06 0.08 -0.20 0.42 -0.54 0.00 0.00 175.26 175.08 2iv9 s ILE 725 N 0.76 1.88 0.15 -3.70 1.01 0.32 -0.15 121.20 121.47 2iv9 s ILE 725 Ca -0.03 -0.87 0.11 0.00 0.00 0.00 0.00 60.65 59.86 2iv9 s ILE 725 Cb -0.15 -1.67 -0.04 0.00 0.01 0.00 0.00 42.46 40.61 2iv9 s ILE 725 CO 0.02 0.52 -0.25 -0.94 0.00 0.00 0.00 174.94 174.28 2iv9 s SER 726 N 0.85 3.43 0.28 3.58 1.04 -0.72 -0.21 113.70 121.96 2iv9 s SER 726 Ca -0.07 -0.76 -0.20 0.00 0.48 0.00 0.00 55.95 55.40 2iv9 s SER 726 Cb -0.15 -0.28 0.02 0.00 0.10 0.00 0.00 66.02 65.71 2iv9 s SER 726 CO -0.01 0.16 0.69 -0.83 0.98 0.00 0.00 173.24 174.23 2iv9 s GLY 727 N -2.26 0.01 0.35 7.32 0.00 -0.23 -0.71 107.32 111.80 2iv9 s GLY 727 Ca 0.17 -0.40 -0.12 0.00 0.00 0.00 0.00 44.72 44.37 2iv9 s GLY 727 CO 0.08 -0.16 0.66 -1.08 0.00 0.00 0.00 173.10 172.59 2iv9 s THR 728 N -3.86 0.00 0.06 0.90 -1.32 -0.52 -1.75 115.64 109.15 2iv9 s THR 728 Ca 0.13 -1.23 0.08 0.00 -1.21 0.00 0.00 61.69 59.46 2iv9 s THR 728 Cb -0.05 -2.67 -0.03 0.00 -1.51 0.00 0.00 72.50 68.24 2iv9 s THR 728 CO 0.07 0.00 -0.22 -0.36 -2.21 0.00 0.00 174.62 171.90 2iv9 s PHE 729 N -2.84 1.95 0.19 9.09 0.40 -1.26 -1.30 117.98 124.21 2iv9 s PHE 729 Ca 0.20 -0.39 0.05 0.00 -0.60 0.00 0.00 56.93 56.20 2iv9 s PHE 729 Cb -0.03 -1.14 -0.05 0.00 0.51 0.00 0.00 43.02 42.31 2iv9 s PHE 729 CO 0.14 0.13 -0.08 0.95 0.70 0.00 0.00 175.22 177.06 2iv9 s THR 730 N -0.87 1.28 -0.24 0.64 -4.23 -0.21 -4.62 115.64 107.37 2iv9 s THR 730 Ca 0.09 -2.09 -0.02 0.00 -1.18 0.00 0.00 61.69 58.48 2iv9 s THR 730 Cb -0.09 -2.04 0.08 0.00 1.34 0.00 0.00 72.50 71.78 2iv9 s THR 730 CO 0.03 -0.59 0.07 -2.28 -0.54 0.00 0.00 174.62 171.30 2iv9 s HIS 731 N -3.26 1.15 -0.15 3.99 2.46 -1.26 -1.39 115.29 116.83 2iv9 s HIS 731 Ca 0.21 -1.13 -0.01 0.00 0.47 0.00 0.00 55.06 54.60 2iv9 s HIS 731 Cb 0.03 -1.22 0.04 0.00 -0.13 0.00 0.00 32.58 31.29 2iv9 s HIS 731 CO 0.04 -0.72 -0.04 1.03 -2.47 0.00 0.00 174.74 172.58 2iv9 s ARG 732 N 1.81 1.30 -1.28 2.88 0.52 0.15 -4.35 118.95 119.99 2iv9 s ARG 732 Ca 0.04 -0.40 -0.01 0.00 -0.52 0.00 0.00 55.73 54.83 2iv9 s ARG 732 Cb -0.17 -1.84 -0.00 0.00 0.52 0.00 0.00 34.95 33.45 2iv9 s ARG 732 CO -0.17 -0.41 0.75 1.04 0.02 0.00 0.00 175.30 176.53 2iv9 n GLN 733 N 4.93 -4.96 0.00 3.54 1.13 -1.26 -2.10 117.38 118.66 2iv9 n GLN 733 Ca -0.11 0.66 0.00 0.00 -1.94 0.00 0.00 57.00 55.61 2iv9 n GLN 733 Cb 0.48 -5.27 0.00 0.00 0.11 0.00 0.00 30.24 25.56 2iv9 n GLN 733 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2iv9 n GLY 734 N -1.50 2.42 3.84 1.08 0.00 -1.26 -5.03 105.19 104.74 2iv9 n GLY 734 Ca -0.29 -0.51 -0.37 0.00 0.00 0.00 0.00 46.02 44.85 2iv9 n GLY 734 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2iv9 s HIS 735 N -0.79 3.71 -0.12 1.61 3.76 -0.89 -5.08 115.29 117.49 2iv9 s HIS 735 Ca 0.00 1.04 -0.08 0.00 -0.15 0.00 0.00 55.06 55.87 2iv9 s HIS 735 Cb 0.00 -2.33 -0.04 0.00 1.11 0.00 0.00 32.58 31.31 2iv9 s HIS 735 CO 0.00 0.58 0.17 0.42 -0.85 0.00 0.00 174.74 175.06 2iv9 s ILE 736 N -1.19 5.45 0.02 0.60 1.01 -1.26 -0.67 121.20 125.16 2iv9 s ILE 736 Ca 0.28 0.28 0.03 0.00 0.00 0.00 0.00 60.65 61.24 2iv9 s ILE 736 Cb -0.17 -3.44 -0.02 0.00 0.01 0.00 0.00 42.46 38.84 2iv9 s ILE 736 CO 0.16 0.59 -0.09 -0.31 0.00 0.00 0.00 174.94 175.29 2iv9 s TYR 737 N -0.83 0.81 -0.43 3.97 1.51 -0.49 -0.69 117.35 121.20 2iv9 s TYR 737 Ca 0.15 -0.31 -0.17 0.00 -1.01 0.00 0.00 57.07 55.73 2iv9 s TYR 737 Cb -0.12 -0.49 0.03 0.00 -0.11 0.00 0.00 41.96 41.26 2iv9 s TYR 737 CO 0.04 -0.02 0.42 1.41 -1.11 0.00 0.00 175.55 176.29 2iv9 s MET 738 N -0.93 3.05 -0.32 -0.62 -2.45 -0.08 -1.05 119.30 116.91 2iv9 s MET 738 Ca -0.02 -0.91 -0.13 0.00 -1.25 0.00 0.00 55.69 53.38 2iv9 s MET 738 Cb -0.07 -4.00 -0.03 0.00 1.25 0.00 0.00 34.83 31.98 2iv9 s MET 738 CO 0.00 -0.88 0.24 -1.21 1.05 0.00 0.00 175.02 174.22 2iv9 s GLU 739 N 2.01 3.65 0.19 4.11 2.02 -0.42 -0.88 118.70 129.38 2iv9 s GLU 739 Ca 0.10 -0.51 0.09 0.00 0.02 0.00 0.00 54.97 54.66 2iv9 s GLU 739 Cb -0.19 -3.76 -0.04 0.00 0.10 0.00 0.00 34.13 30.24 2iv9 s GLU 739 CO 0.12 -0.37 -0.17 -1.64 0.02 0.00 0.00 175.26 173.21 2iv9 s MET 740 N 1.78 1.34 -0.12 1.61 -1.94 0.57 -1.43 119.30 121.11 2iv9 s MET 740 Ca 0.07 -1.51 0.02 0.00 -1.71 0.00 0.00 55.69 52.56 2iv9 s MET 740 Cb -0.17 -1.30 0.01 0.00 2.01 0.00 0.00 34.83 35.39 2iv9 s MET 740 CO 0.11 0.24 -0.16 1.21 -0.01 0.00 0.00 175.02 176.41 2iv9 s ASN 741 N -3.00 2.57 -0.21 3.03 3.84 0.11 -0.30 114.94 120.98 2iv9 s ASN 741 Ca 0.20 -0.46 -0.08 0.00 0.21 0.00 0.00 52.86 52.72 2iv9 s ASN 741 Cb -0.04 -1.16 -0.04 0.00 -0.55 0.00 0.00 41.25 39.46 2iv9 s ASN 741 CO 0.08 0.02 0.09 -0.36 -2.79 0.00 0.00 177.10 174.14 2iv9 s PHE 742 N 0.97 3.23 -0.09 0.43 0.40 -0.30 -1.75 117.98 120.88 2iv9 s PHE 742 Ca -0.06 0.01 0.03 0.00 -0.60 0.00 0.00 56.93 56.30 2iv9 s PHE 742 Cb -0.15 -2.17 0.01 0.00 0.51 0.00 0.00 43.02 41.22 2iv9 s PHE 742 CO -0.02 0.01 -0.18 0.99 0.70 0.00 0.00 175.22 176.72 2iv9 s THR 743 N 0.86 1.62 -0.53 0.64 2.01 0.79 -1.23 115.64 119.81 2iv9 s THR 743 Ca 0.05 -0.75 -0.21 0.00 0.31 0.00 0.00 61.69 61.09 2iv9 s THR 743 Cb -0.13 -1.43 0.06 0.00 0.01 0.00 0.00 72.50 71.00 2iv9 s THR 743 CO 0.03 0.46 0.74 0.21 -0.69 0.00 0.00 174.62 175.36 2iv9 s ASN 744 N 0.58 6.25 -0.18 3.53 3.84 -0.58 -0.59 114.94 127.79 2iv9 s ASN 744 Ca -0.15 -0.78 0.16 0.00 0.21 0.00 0.00 52.86 52.30 2iv9 s ASN 744 Cb -0.17 -2.34 0.73 0.00 -0.55 0.00 0.00 41.25 38.92 2iv9 s ASN 744 CO 0.05 -1.02 1.64 0.29 -2.79 0.00 0.00 177.10 175.27 2iv9 n LYS 745 N 6.62 4.13 -2.77 0.43 5.02 0.13 0.73 118.16 132.46 2iv9 n LYS 745 Ca -0.04 -2.99 -0.22 0.00 -2.02 0.00 0.00 58.31 53.05 2iv9 n LYS 745 Cb 0.46 -2.04 0.08 0.00 -0.02 0.00 0.00 35.03 33.51 2iv9 n LYS 745 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2iv9 s ALA 746 N -2.39 4.11 -1.51 7.82 0.00 -1.25 -4.81 121.76 123.72 2iv9 s ALA 746 Ca 0.51 -1.84 0.23 0.00 0.00 0.00 0.00 51.96 50.86 2iv9 s ALA 746 Cb 0.36 -1.80 0.15 0.00 0.00 0.00 0.00 23.12 21.83 2iv9 s ALA 746 CO 0.18 -1.14 1.17 1.28 0.00 0.00 0.00 175.76 177.25 2iv9 n LEU 747 N -2.54 1.29 -4.50 0.00 4.77 -1.26 -4.24 117.00 110.52 2iv9 n LEU 747 Ca 0.14 -0.47 -0.29 0.00 -0.03 0.00 0.00 56.01 55.36 2iv9 n LEU 747 Cb 0.61 -0.06 -0.11 0.00 -2.33 0.00 0.00 43.42 41.52 2iv9 n LEU 747 CO 0.42 0.27 -0.48 -1.58 -1.33 0.00 0.00 177.39 174.68 2iv9 s GLN 748 N -2.72 1.84 0.75 3.23 2.00 -1.26 -4.82 119.66 118.68 2iv9 s GLN 748 Ca 0.15 -1.15 -0.11 0.00 -2.00 0.00 0.00 55.36 52.25 2iv9 s GLN 748 Cb 0.18 -2.14 0.04 0.00 0.80 0.00 0.00 33.01 31.89 2iv9 s GLN 748 CO 0.67 0.49 1.08 -3.38 -0.50 0.00 0.00 175.29 173.65 2iv9 s HIS 749 N -1.14 2.91 -0.03 1.67 -3.43 -1.26 -4.47 115.29 109.53 2iv9 s HIS 749 Ca 0.18 1.32 0.06 0.00 -0.80 0.00 0.00 55.06 55.83 2iv9 s HIS 749 Cb -0.11 -3.00 -0.01 0.00 -1.43 0.00 0.00 32.58 28.03 2iv9 s HIS 749 CO 0.10 -1.56 -0.22 -1.64 -2.00 0.00 0.00 174.74 169.43 2iv9 s MET 750 N -5.07 1.91 0.26 -0.38 -1.94 -0.18 -4.95 119.30 108.95 2iv9 s MET 750 Ca 0.60 -0.78 0.01 0.00 -1.71 0.00 0.00 55.69 53.81 2iv9 s MET 750 Cb -0.15 -1.77 -0.00 0.00 2.01 0.00 0.00 34.83 34.92 2iv9 s MET 750 CO 0.55 0.42 0.31 0.25 -0.01 0.00 0.00 175.02 176.54 2iv9 n THR 751 N 2.70 0.00 -3.62 2.05 -2.24 -1.26 -0.59 114.28 111.33 2iv9 n THR 751 Ca -0.16 -1.51 -0.23 0.00 -2.27 0.00 0.00 64.05 59.88 2iv9 n THR 751 Cb 0.52 0.85 0.07 0.00 -2.10 0.00 0.00 70.33 69.67 2iv9 n THR 751 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2iv9 n ASP 752 N -1.85 -4.30 -4.75 3.42 8.00 -1.26 -1.20 116.55 114.59 2iv9 n ASP 752 Ca 0.02 -0.64 -0.40 0.00 0.71 0.00 0.00 54.79 54.48 2iv9 n ASP 752 Cb 0.44 -4.75 -0.04 0.00 -0.02 0.00 0.00 41.12 36.75 2iv9 n ASP 752 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2iv9 s PHE 753 N -3.37 3.61 0.03 1.24 0.08 -1.26 -4.20 117.98 114.12 2iv9 s PHE 753 Ca 0.37 1.69 -0.21 0.00 0.12 0.00 0.00 56.93 58.90 2iv9 s PHE 753 Cb -0.17 -3.26 0.05 0.00 -0.57 0.00 0.00 43.02 39.06 2iv9 s PHE 753 CO 0.76 -0.50 0.48 0.00 -0.10 0.00 0.00 175.22 175.86 2iv9 s ALA 754 N -0.96 -1.22 0.04 5.36 0.00 -0.83 -4.75 121.76 119.41 2iv9 s ALA 754 Ca 0.45 0.55 0.03 0.00 0.00 0.00 0.00 51.96 52.99 2iv9 s ALA 754 Cb -0.31 0.31 -0.02 0.00 0.00 0.00 0.00 23.12 23.10 2iv9 s ALA 754 CO 0.39 -0.46 -0.10 -1.50 0.00 0.00 0.00 175.76 174.10 2iv9 s ILE 755 N -2.24 0.73 0.00 0.00 2.07 -1.26 -1.22 121.20 119.28 2iv9 s ILE 755 Ca -0.07 -0.93 -0.07 0.00 -1.41 0.00 0.00 60.65 58.18 2iv9 s ILE 755 Cb -0.01 -0.72 0.00 0.00 0.13 0.00 0.00 42.46 41.86 2iv9 s ILE 755 CO -0.00 -0.17 0.12 -1.10 -1.91 0.00 0.00 174.94 171.88 2iv9 s GLN 756 N -1.21 0.45 -0.07 3.50 -0.21 -0.55 -4.87 119.66 116.69 2iv9 s GLN 756 Ca -0.04 -0.39 -0.01 0.00 0.02 0.00 0.00 55.36 54.94 2iv9 s GLN 756 Cb -0.08 0.19 -0.03 0.00 1.00 0.00 0.00 33.01 34.08 2iv9 s GLN 756 CO 0.01 -0.10 -0.01 -0.06 -2.12 0.00 0.00 175.29 173.00 2iv9 s PHE 757 N -1.32 3.11 0.65 0.91 0.08 -1.26 -0.54 117.98 119.61 2iv9 s PHE 757 Ca -0.14 0.15 -0.16 0.00 0.12 0.00 0.00 56.93 56.90 2iv9 s PHE 757 Cb -0.07 -1.76 -0.00 0.00 -0.57 0.00 0.00 43.02 40.61 2iv9 s PHE 757 CO 0.01 0.44 1.16 1.21 -0.10 0.00 0.00 175.22 177.95 2iv9 s ASN 758 N -0.94 4.94 0.44 1.36 2.47 0.51 -4.98 114.94 118.75 2iv9 s ASN 758 Ca 0.14 2.22 -0.22 0.00 0.42 0.00 0.00 52.86 55.42 2iv9 s ASN 758 Cb -0.11 -2.58 -0.12 0.00 -1.45 0.00 0.00 41.25 36.99 2iv9 s ASN 758 CO 0.03 -1.75 0.56 0.29 -3.72 0.00 0.00 177.10 172.51 2iv9 n LYS 759 N -2.16 0.60 -3.97 0.43 5.02 -1.26 -4.71 118.16 112.11 2iv9 n LYS 759 Ca 0.12 0.22 -0.10 0.00 -2.02 0.00 0.00 58.31 56.53 2iv9 n LYS 759 Cb 0.51 -1.56 -0.03 0.00 -0.02 0.00 0.00 35.03 33.93 2iv9 n LYS 759 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2iv9 s ASN 760 N -0.97 0.14 0.32 4.39 2.20 -1.21 -4.53 114.94 115.28 2iv9 s ASN 760 Ca 0.64 -1.06 0.03 0.00 -0.94 0.00 0.00 52.86 51.53 2iv9 s ASN 760 Cb -0.58 0.67 0.53 0.00 -2.00 0.00 0.00 41.25 39.88 2iv9 s ASN 760 CO 0.58 -1.30 1.82 0.28 -2.94 0.00 0.00 177.10 175.54 2iv9 h SER 761 N 2.14 0.50 -0.42 3.54 0.02 -1.60 -1.45 113.55 116.28 2iv9 h SER 761 Ca -0.27 -0.12 0.00 0.00 -0.84 0.00 0.00 61.79 60.57 2iv9 h SER 761 Cb 1.25 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.65 2iv9 h SER 761 CO 0.36 0.63 0.00 0.49 -1.14 0.00 0.00 176.83 177.16 2iv9 n PHE 762 N -4.23 0.78 -2.28 3.45 3.72 -1.26 -4.74 117.46 112.90 2iv9 n PHE 762 Ca 0.01 -0.59 -0.15 0.00 -0.05 0.00 0.00 57.45 56.67 2iv9 n PHE 762 Cb 0.29 -0.12 -0.01 0.00 -0.94 0.00 0.00 39.48 38.71 2iv9 n PHE 762 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2iv9 n GLY 763 N 0.54 -0.25 3.76 1.37 0.00 -1.05 -4.75 105.19 104.81 2iv9 n GLY 763 Ca 0.17 -0.24 -0.41 0.00 0.00 0.00 0.00 46.02 45.54 2iv9 n GLY 763 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2iv9 s VAL 764 N -2.76 3.20 -0.14 1.61 1.01 -1.26 -0.39 120.40 121.66 2iv9 s VAL 764 Ca 0.00 1.13 -0.27 0.00 0.00 0.00 0.00 61.98 62.84 2iv9 s VAL 764 Cb 0.00 -3.72 0.07 0.00 0.00 0.00 0.00 36.38 32.73 2iv9 s VAL 764 CO 0.00 0.24 0.67 -0.51 0.00 0.00 0.00 175.10 175.50 2iv9 s ILE 765 N -0.78 0.00 0.56 2.22 2.07 -0.78 -4.78 121.20 119.71 2iv9 s ILE 765 Ca 0.49 -0.02 -0.21 0.00 -1.41 0.00 0.00 60.65 59.50 2iv9 s ILE 765 Cb -0.35 -0.96 -0.04 0.00 0.13 0.00 0.00 42.46 41.23 2iv9 s ILE 765 CO 0.44 -0.01 1.29 -2.84 -1.91 0.00 0.00 174.94 171.91 2iv9 s PRO 766 N -0.48 3.10 0.16 3.50 0.02 -1.26 -1.50 135.00 138.54 2iv9 s PRO 766 Ca -0.06 2.05 0.23 0.00 0.02 0.00 0.00 61.00 63.25 2iv9 s PRO 766 Cb -0.02 -2.15 0.17 0.00 0.02 0.00 0.00 34.50 32.52 2iv9 s PRO 766 CO 0.06 -1.16 1.18 0.77 -0.33 0.00 0.00 177.00 177.52 2iv9 h SER 767 N 1.28 0.00 -5.18 2.53 0.02 -1.14 -3.44 113.55 107.61 2iv9 h SER 767 Ca -0.51 -0.13 -0.09 0.00 -0.84 0.00 0.00 61.79 60.22 2iv9 h SER 767 Cb 1.30 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 63.70 2iv9 h SER 767 CO 0.57 0.06 -0.41 0.42 -1.14 0.00 0.00 176.83 176.32 2iv9 s THR 768 N -3.26 0.15 0.68 -2.27 -4.23 -1.26 -5.07 115.64 100.39 2iv9 s THR 768 Ca 0.03 -1.29 -0.15 0.00 -1.18 0.00 0.00 61.69 59.10 2iv9 s THR 768 Cb 0.11 -1.41 0.01 0.00 1.34 0.00 0.00 72.50 72.56 2iv9 s THR 768 CO 0.76 -0.67 1.15 -2.84 -0.54 0.00 0.00 174.62 172.47 2iv9 s PRO 769 N -3.88 2.55 0.05 3.99 0.02 -1.26 -4.92 135.00 131.55 2iv9 s PRO 769 Ca 0.06 1.54 -0.30 0.00 0.02 0.00 0.00 61.00 62.32 2iv9 s PRO 769 Cb 0.05 -1.91 -0.07 0.00 0.02 0.00 0.00 34.50 32.59 2iv9 s PRO 769 CO -0.10 -1.47 1.60 -1.17 -0.33 0.00 0.00 177.00 175.53 2iv9 s LEU 770 N -4.95 4.35 -0.54 -5.54 2.96 -1.26 -4.97 118.68 108.74 2iv9 s LEU 770 Ca 0.70 2.39 0.04 0.00 -0.22 0.00 0.00 54.13 57.03 2iv9 s LEU 770 Cb -0.24 -3.56 0.14 0.00 0.50 0.00 0.00 46.19 43.03 2iv9 s LEU 770 CO 0.42 -0.85 0.30 0.00 -1.32 0.00 0.00 176.35 174.90 2iv9 s ALA 771 N 2.68 3.13 -0.49 5.97 0.00 -1.26 -4.78 121.76 127.00 2iv9 s ALA 771 Ca 0.72 -3.23 -0.07 0.00 0.00 0.00 0.00 51.96 49.38 2iv9 s ALA 771 Cb -0.38 -2.09 0.13 0.00 0.00 0.00 0.00 23.12 20.78 2iv9 s ALA 771 CO 0.31 -2.04 0.34 0.42 0.00 0.00 0.00 175.76 174.79 2iv9 s ILE 772 N -0.38 4.01 -1.66 0.00 1.01 -1.26 -4.95 121.20 117.97 2iv9 s ILE 772 Ca 0.19 -2.02 0.27 0.00 0.00 0.00 0.00 60.65 59.09 2iv9 s ILE 772 Cb -0.21 -3.65 0.34 0.00 0.01 0.00 0.00 42.46 38.95 2iv9 s ILE 772 CO -0.03 -0.78 1.70 1.41 0.00 0.00 0.00 174.94 177.23 2iv9 n HIS 773 N 4.63 0.00 -4.85 3.97 8.25 -1.26 -4.77 115.22 121.18 2iv9 n HIS 773 Ca -0.04 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.09 2iv9 n HIS 773 Cb 0.41 -0.16 -0.13 0.00 1.12 0.00 0.00 29.99 31.22 2iv9 n HIS 773 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 2iv9 s THR 774 N -2.52 3.10 0.27 1.59 2.01 -1.26 -5.10 115.64 113.73 2iv9 s THR 774 Ca 0.26 -0.70 -0.30 0.00 0.31 0.00 0.00 61.69 61.26 2iv9 s THR 774 Cb 0.19 -2.23 -0.13 0.00 0.01 0.00 0.00 72.50 70.34 2iv9 s THR 774 CO 0.51 0.58 1.29 -2.65 -0.69 0.00 0.00 174.62 173.65 2iv9 n PRO 775 N 2.54 1.88 -2.84 4.92 -0.02 -1.26 -4.95 135.00 135.26 2iv9 n PRO 775 Ca -0.17 0.66 -0.43 0.00 -2.02 0.00 0.00 63.50 61.54 2iv9 n PRO 775 Cb 0.52 -2.24 -0.04 0.00 -0.02 0.00 0.00 33.50 31.72 2iv9 n PRO 775 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2iv9 s LEU 776 N -0.13 4.14 0.71 2.45 2.96 0.25 -4.90 118.68 124.17 2iv9 s LEU 776 Ca 0.63 -0.46 -0.12 0.00 -0.22 0.00 0.00 54.13 53.96 2iv9 s LEU 776 Cb -0.65 -2.76 0.02 0.00 0.50 0.00 0.00 46.19 43.31 2iv9 s LEU 776 CO 0.55 -1.26 1.09 -0.04 -1.32 0.00 0.00 176.35 175.37 2iv9 s MET 777 N 3.97 2.62 0.15 1.98 -1.94 -1.26 -1.01 119.30 123.81 2iv9 s MET 777 Ca 0.29 1.19 -0.34 0.00 -1.71 0.00 0.00 55.69 55.12 2iv9 s MET 777 Cb -0.13 -1.94 -0.15 0.00 2.01 0.00 0.00 34.83 34.61 2iv9 s MET 777 CO 0.18 -1.37 1.36 -2.30 -0.01 0.00 0.00 175.02 172.88 2iv9 n PRO 778 N -3.03 1.51 -0.83 2.03 -0.02 -1.26 -1.28 135.00 132.12 2iv9 n PRO 778 Ca 0.09 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 2iv9 n PRO 778 Cb 0.53 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.82 2iv9 n PRO 778 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 2iv9 n ASN 779 N 2.56 -1.21 -4.82 2.55 5.15 0.22 -5.00 115.26 114.71 2iv9 n ASN 779 Ca 0.16 0.00 -0.33 0.00 -0.60 0.00 0.00 54.58 53.81 2iv9 n ASN 779 Cb 0.24 -1.35 -0.07 0.00 -0.53 0.00 0.00 39.78 38.08 2iv9 n ASN 779 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 2iv9 s GLN 780 N -0.59 4.20 -0.05 1.20 -0.21 -0.41 -4.85 119.66 118.96 2iv9 s GLN 780 Ca 0.00 1.15 0.02 0.00 0.02 0.00 0.00 55.36 56.55 2iv9 s GLN 780 Cb 0.00 -2.19 0.02 0.00 1.00 0.00 0.00 33.01 31.84 2iv9 s GLN 780 CO 0.00 -0.06 -0.07 0.45 -2.12 0.00 0.00 175.29 173.49 2iv9 s SER 781 N -2.14 1.18 0.01 5.90 0.15 -1.26 -1.53 113.70 116.01 2iv9 s SER 781 Ca 0.62 -0.18 0.06 0.00 0.70 0.00 0.00 55.95 57.15 2iv9 s SER 781 Cb -0.10 -0.53 -0.02 0.00 -1.71 0.00 0.00 66.02 63.66 2iv9 s SER 781 CO 0.14 -0.01 -0.19 0.27 1.20 0.00 0.00 173.24 174.65 2iv9 s ILE 782 N 0.72 1.49 -0.10 6.45 -4.36 -0.36 -4.98 121.20 120.05 2iv9 s ILE 782 Ca -0.11 -0.92 -0.21 0.00 -0.26 0.00 0.00 60.65 59.15 2iv9 s ILE 782 Cb -0.14 -1.26 -0.04 0.00 1.25 0.00 0.00 42.46 42.27 2iv9 s ILE 782 CO 0.01 0.32 0.60 -1.81 0.24 0.00 0.00 174.94 174.30 2iv9 s ASP 783 N -0.70 6.82 -0.10 4.36 1.01 -1.26 -1.14 116.67 125.66 2iv9 s ASP 783 Ca 0.07 0.99 0.02 0.00 0.71 0.00 0.00 52.55 54.34 2iv9 s ASP 783 Cb -0.08 -2.35 0.01 0.00 1.01 0.00 0.00 42.92 41.52 2iv9 s ASP 783 CO 0.00 -0.08 -0.15 -0.69 0.21 0.00 0.00 175.17 174.46 2iv9 s VAL 784 N 0.83 1.45 -0.36 -1.27 1.01 0.59 -5.00 120.40 117.64 2iv9 s VAL 784 Ca 0.32 -0.62 -0.08 0.00 0.00 0.00 0.00 61.98 61.59 2iv9 s VAL 784 Cb -0.16 -1.32 0.04 0.00 0.00 0.00 0.00 36.38 34.94 2iv9 s VAL 784 CO 0.14 0.43 0.16 -0.55 0.00 0.00 0.00 175.10 175.27 2iv9 s SER 785 N 0.89 5.47 -0.34 3.32 0.15 -1.26 -0.31 113.70 121.61 2iv9 s SER 785 Ca -0.09 -1.18 -0.09 0.00 0.70 0.00 0.00 55.95 55.30 2iv9 s SER 785 Cb -0.15 -1.93 0.02 0.00 -1.71 0.00 0.00 66.02 62.26 2iv9 s SER 785 CO 0.00 -0.38 0.15 -0.22 1.20 0.00 0.00 173.24 173.99 2iv9 s LEU 786 N 1.44 4.38 0.35 3.45 2.96 -0.06 -4.97 118.68 126.23 2iv9 s LEU 786 Ca 0.00 -0.94 -0.27 0.00 -0.22 0.00 0.00 54.13 52.71 2iv9 s LEU 786 Cb -0.20 -1.95 -0.09 0.00 0.50 0.00 0.00 46.19 44.45 2iv9 s LEU 786 CO 0.04 -0.31 1.09 -2.16 -1.32 0.00 0.00 176.35 173.68 2iv9 s PRO 787 N 1.51 4.36 0.21 0.98 0.04 -1.26 -0.90 135.00 139.93 2iv9 s PRO 787 Ca 0.01 1.69 0.08 0.00 0.04 0.00 0.00 61.00 62.83 2iv9 s PRO 787 Cb -0.19 -2.85 -0.05 0.00 0.04 0.00 0.00 34.50 31.45 2iv9 s PRO 787 CO 0.05 -0.01 -0.16 -0.51 0.04 0.00 0.00 177.00 176.41 2iv9 s LEU 788 N -2.08 2.54 0.26 -3.56 1.43 0.13 -0.58 118.68 116.82 2iv9 s LEU 788 Ca 0.52 -0.99 0.02 0.00 -1.03 0.00 0.00 54.13 52.64 2iv9 s LEU 788 Cb -0.28 -0.75 -0.04 0.00 0.03 0.00 0.00 46.19 45.15 2iv9 s LEU 788 CO 0.35 -0.12 0.15 0.54 0.23 0.00 0.00 176.35 177.50 2iv9 s ASN 789 N -3.21 0.96 -0.22 2.29 2.20 -0.56 -4.17 114.94 112.22 2iv9 s ASN 789 Ca 0.22 -1.49 0.13 0.00 -0.94 0.00 0.00 52.86 50.78 2iv9 s ASN 789 Cb -0.02 0.36 0.46 0.00 -2.00 0.00 0.00 41.25 40.05 2iv9 s ASN 789 CO 0.08 -0.86 1.36 0.35 -2.94 0.00 0.00 177.10 175.08 2iv9 n THR 790 N -0.45 2.32 -0.33 0.54 -2.24 -1.26 -1.86 114.28 111.00 2iv9 n THR 790 Ca 0.02 -2.54 0.09 0.00 -2.27 0.00 0.00 64.05 59.36 2iv9 n THR 790 Cb 0.65 -0.28 0.32 0.00 -2.10 0.00 0.00 70.33 68.92 2iv9 n THR 790 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2iv9 n LEU 791 N -1.03 4.17 -4.95 3.22 4.77 -1.20 -4.58 117.00 117.40 2iv9 n LEU 791 Ca 0.25 -2.10 -0.27 0.00 -0.03 0.00 0.00 56.01 53.86 2iv9 n LEU 791 Cb 0.88 -0.53 0.13 0.00 -2.33 0.00 0.00 43.42 41.58 2iv9 n LEU 791 CO 0.11 0.79 0.71 -0.83 -1.33 0.00 0.00 177.39 176.84 2iv9 s GLY 792 N -0.89 1.75 0.58 -0.72 0.00 0.47 -5.04 107.32 103.48 2iv9 s GLY 792 Ca 0.46 -1.34 -0.20 0.00 0.00 0.00 0.00 44.72 43.64 2iv9 s GLY 792 CO 0.25 -0.72 1.31 2.56 0.00 0.00 0.00 173.10 176.50 2iv9 s PRO 793 N -5.49 2.96 -0.12 2.90 0.04 -1.26 -4.47 135.00 129.55 2iv9 s PRO 793 Ca 0.69 2.11 0.00 0.00 0.04 0.00 0.00 61.00 63.84 2iv9 s PRO 793 Cb -0.06 -2.09 -0.01 0.00 0.04 0.00 0.00 34.50 32.38 2iv9 s PRO 793 CO 0.48 -1.29 -0.14 0.08 0.04 0.00 0.00 177.00 176.17 2iv9 s VAL 794 N -1.38 2.97 -0.09 -0.36 1.01 -1.26 -3.30 120.40 117.99 2iv9 s VAL 794 Ca 0.76 -0.70 -0.05 0.00 0.00 0.00 0.00 61.98 61.99 2iv9 s VAL 794 Cb -0.38 -2.23 0.04 0.00 0.00 0.00 0.00 36.38 33.81 2iv9 s VAL 794 CO 0.43 0.53 0.21 -0.32 0.00 0.00 0.00 175.10 175.95 2iv9 s MET 795 N 0.27 0.17 0.09 2.72 0.00 -0.57 -4.76 119.30 117.22 2iv9 s MET 795 Ca -0.10 0.45 -0.31 0.00 0.00 0.00 0.00 55.69 55.73 2iv9 s MET 795 Cb -0.16 -0.11 -0.10 0.00 0.00 0.00 0.00 34.83 34.46 2iv9 s MET 795 CO 0.06 -0.15 1.89 1.17 0.00 0.00 0.00 175.02 177.99 2iv9 n LYS 796 N 4.07 2.81 -3.57 4.11 3.00 -1.26 -1.92 118.16 125.40 2iv9 n LYS 796 Ca -0.24 1.03 -0.20 0.00 -0.00 0.00 0.00 58.31 58.89 2iv9 n LYS 796 Cb 0.53 -2.94 -0.01 0.00 0.00 0.00 0.00 35.03 32.61 2iv9 n LYS 796 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.40 175.76 2iv9 s MET 797 N 3.33 3.23 -0.18 1.64 -1.94 -1.26 -4.90 119.30 119.23 2iv9 s MET 797 Ca 0.85 -0.84 -0.04 0.00 -1.71 0.00 0.00 55.69 53.94 2iv9 s MET 797 Cb -0.47 -2.81 0.06 0.00 2.01 0.00 0.00 34.83 33.62 2iv9 s MET 797 CO 0.39 0.15 0.07 -2.00 -0.01 0.00 0.00 175.02 173.62 2iv9 s GLU 798 N -4.16 0.23 1.03 2.03 2.56 -1.26 -3.23 118.70 115.90 2iv9 s GLU 798 Ca 0.42 -0.17 -0.12 0.00 0.00 0.00 0.00 54.97 55.10 2iv9 s GLU 798 Cb -0.09 -1.90 0.21 0.00 2.00 0.00 0.00 34.13 34.35 2iv9 s GLU 798 CO 0.31 -0.66 1.07 -2.14 -0.56 0.00 0.00 175.26 173.29 2iv9 s PRO 799 N 2.06 0.14 0.35 4.30 0.02 -1.26 -4.88 135.00 135.73 2iv9 s PRO 799 Ca 0.01 0.96 0.07 0.00 0.02 0.00 0.00 61.00 62.07 2iv9 s PRO 799 Cb -0.16 -1.67 0.76 0.00 0.02 0.00 0.00 34.50 33.45 2iv9 s PRO 799 CO -0.09 -3.05 1.90 1.25 -0.33 0.00 0.00 177.00 176.69 2iv9 h LEU 800 N -2.14 0.68 -2.50 -5.54 5.85 -1.95 -1.37 115.31 108.35 2iv9 h LEU 800 Ca -0.54 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.20 2iv9 h LEU 800 Cb 1.31 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.22 2iv9 h LEU 800 CO 0.50 0.39 0.00 -0.46 -0.34 0.00 0.00 178.44 178.53 2iv9 n ASN 801 N -4.52 3.80 -4.77 1.25 6.94 -1.26 -4.45 115.26 112.24 2iv9 n ASN 801 Ca 0.15 -2.36 -0.40 0.00 -0.02 0.00 0.00 54.58 51.94 2iv9 n ASN 801 Cb 0.36 -0.51 -0.02 0.00 -2.36 0.00 0.00 39.78 37.25 2iv9 n ASN 801 CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 2iv9 s ASN 802 N -0.78 6.73 -0.12 0.53 2.47 -0.52 -0.94 114.94 122.31 2iv9 s ASN 802 Ca 0.39 2.58 -0.01 0.00 0.42 0.00 0.00 52.86 56.25 2iv9 s ASN 802 Cb 0.25 -2.64 0.03 0.00 -1.45 0.00 0.00 41.25 37.44 2iv9 s ASN 802 CO 0.18 -0.55 -0.06 -0.22 -3.72 0.00 0.00 177.10 172.73 2iv9 s LEU 803 N -1.94 1.18 -0.18 3.21 2.96 0.03 -4.66 118.68 119.28 2iv9 s LEU 803 Ca 0.51 -0.34 -0.12 0.00 -0.22 0.00 0.00 54.13 53.95 2iv9 s LEU 803 Cb -0.37 -0.80 -0.05 0.00 0.50 0.00 0.00 46.19 45.47 2iv9 s LEU 803 CO 0.49 -0.14 0.21 -1.10 -1.32 0.00 0.00 176.35 174.49 2iv9 s GLN 804 N 1.73 4.22 -0.02 1.98 -0.21 -1.26 -1.47 119.66 124.63 2iv9 s GLN 804 Ca 0.04 -0.07 0.04 0.00 0.02 0.00 0.00 55.36 55.40 2iv9 s GLN 804 Cb -0.13 -3.43 -0.01 0.00 1.00 0.00 0.00 33.01 30.44 2iv9 s GLN 804 CO -0.08 0.25 -0.15 0.08 -2.12 0.00 0.00 175.29 173.27 2iv9 s VAL 805 N 0.47 1.22 -0.11 1.09 1.01 0.16 -0.36 120.40 123.87 2iv9 s VAL 805 Ca 0.12 -0.64 0.01 0.00 0.00 0.00 0.00 61.98 61.47 2iv9 s VAL 805 Cb -0.12 -1.03 -0.02 0.00 0.00 0.00 0.00 36.38 35.22 2iv9 s VAL 805 CO 0.01 0.35 -0.14 0.00 0.00 0.00 0.00 175.10 175.32 2iv9 s ALA 806 N -0.22 2.62 -0.08 5.51 0.00 0.30 -1.31 121.76 128.58 2iv9 s ALA 806 Ca 0.03 -0.91 0.02 0.00 0.00 0.00 0.00 51.96 51.10 2iv9 s ALA 806 Cb -0.07 -1.15 0.01 0.00 0.00 0.00 0.00 23.12 21.91 2iv9 s ALA 806 CO 0.00 0.32 -0.13 0.54 0.00 0.00 0.00 175.76 176.49 2iv9 s VAL 807 N 0.11 1.23 -0.09 0.00 0.11 0.42 -1.48 120.40 120.69 2iv9 s VAL 807 Ca -0.06 -0.51 0.00 0.00 -2.93 0.00 0.00 61.98 58.48 2iv9 s VAL 807 Cb -0.15 -1.13 -0.03 0.00 -1.53 0.00 0.00 36.38 33.54 2iv9 s VAL 807 CO 0.05 0.38 -0.07 -0.75 -3.33 0.00 0.00 175.10 171.38 2iv9 s LYS 808 N 0.85 2.93 0.00 1.54 2.20 -0.36 -0.37 119.74 126.53 2iv9 s LYS 808 Ca -0.11 -0.56 0.00 0.00 -0.36 0.00 0.00 55.97 54.94 2iv9 s LYS 808 Cb -0.15 -2.63 0.00 0.00 -1.51 0.00 0.00 37.83 33.53 2iv9 s LYS 808 CO 0.01 0.56 0.00 0.27 -0.36 0.00 0.00 175.35 175.83 2iv9 n ASN 809 N 2.54 1.29 0.13 1.43 0.23 -0.81 -1.96 115.26 118.12 2iv9 n ASN 809 Ca -0.18 0.00 0.13 0.00 -0.53 0.00 0.00 54.58 54.00 2iv9 n ASN 809 Cb 0.53 0.00 0.47 0.00 -2.08 0.00 0.00 39.78 38.70 2iv9 n ASN 809 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 2iv9 h ASN 810 N 0.00 0.00 0.00 0.53 -1.07 -1.36 -3.33 115.58 110.35 2iv9 h ASN 810 Ca 0.00 0.00 -0.08 0.00 0.07 0.00 0.00 56.30 56.29 2iv9 h ASN 810 Cb 0.00 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 36.24 2iv9 h ASN 810 CO 0.00 0.00 -0.69 0.40 0.07 0.00 0.00 177.43 177.21 2iv9 h ILE 811 N 0.00 0.38 -2.44 6.14 2.04 -1.95 -3.51 117.51 118.17 2iv9 h ILE 811 Ca 0.00 -1.45 -0.01 0.00 1.00 0.00 0.00 64.86 64.40 2iv9 h ILE 811 Cb 0.50 0.88 0.00 0.00 -0.74 0.00 0.00 36.82 37.46 2iv9 h ILE 811 CO 0.00 0.13 0.12 -0.67 0.00 0.00 0.00 178.15 177.73 2iv9 n ASP 812 N -4.57 -1.00 -4.50 1.72 -0.08 -1.25 -5.14 116.55 101.72 2iv9 n ASP 812 Ca -0.15 -1.69 -0.34 0.00 -1.51 0.00 0.00 54.79 51.10 2iv9 n ASP 812 Cb 0.39 1.66 -0.12 0.00 2.34 0.00 0.00 41.12 45.39 2iv9 n ASP 812 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 2iv9 s VAL 813 N -2.61 4.02 0.09 5.18 1.01 -1.26 -1.92 120.40 124.92 2iv9 s VAL 813 Ca 0.07 -0.31 0.09 0.00 0.00 0.00 0.00 61.98 61.84 2iv9 s VAL 813 Cb -0.02 -2.78 -0.03 0.00 0.00 0.00 0.00 36.38 33.54 2iv9 s VAL 813 CO 0.05 0.47 -0.25 -0.36 0.00 0.00 0.00 175.10 175.02 2iv9 s PHE 814 N 0.50 2.12 0.08 5.22 0.08 0.50 -4.98 117.98 121.50 2iv9 s PHE 814 Ca -0.02 -0.39 0.09 0.00 0.12 0.00 0.00 56.93 56.72 2iv9 s PHE 814 Cb -0.14 -1.20 -0.03 0.00 -0.57 0.00 0.00 43.02 41.08 2iv9 s PHE 814 CO 0.02 0.22 -0.23 0.71 -0.10 0.00 0.00 175.22 175.85 2iv9 s TYR 815 N -0.99 1.97 0.26 0.36 2.02 -1.26 -0.44 117.35 119.28 2iv9 s TYR 815 Ca 0.11 -0.39 -0.15 0.00 -0.37 0.00 0.00 57.07 56.27 2iv9 s TYR 815 Cb -0.10 -1.13 0.00 0.00 -0.40 0.00 0.00 41.96 40.34 2iv9 s TYR 815 CO 0.04 0.17 0.55 -0.59 -1.57 0.00 0.00 175.55 174.15 2iv9 s PHE 816 N -0.95 0.25 0.17 2.71 -0.12 -0.43 -5.02 117.98 114.59 2iv9 s PHE 816 Ca 0.09 -0.64 0.06 0.00 -0.05 0.00 0.00 56.93 56.39 2iv9 s PHE 816 Cb -0.10 0.32 -0.04 0.00 -0.63 0.00 0.00 43.02 42.57 2iv9 s PHE 816 CO 0.03 -1.08 -0.12 -1.54 -0.05 0.00 0.00 175.22 172.46 2iv9 s SER 817 N -3.00 2.14 0.19 1.98 1.04 -1.26 -0.66 113.70 114.12 2iv9 s SER 817 Ca 0.20 -0.99 -0.11 0.00 0.48 0.00 0.00 55.95 55.53 2iv9 s SER 817 Cb -0.02 -0.07 -0.00 0.00 0.10 0.00 0.00 66.02 66.03 2iv9 s SER 817 CO 0.09 -0.24 0.37 0.00 0.98 0.00 0.00 173.24 174.44 2iv9 s LEU 819 N -2.97 3.33 -0.21 0.00 1.43 -1.26 -0.79 118.68 118.21 2iv9 s LEU 819 Ca 0.18 -0.15 -0.29 0.00 -1.03 0.00 0.00 54.13 52.84 2iv9 s LEU 819 Cb 0.02 -1.84 0.01 0.00 0.03 0.00 0.00 46.19 44.41 2iv9 s LEU 819 CO 0.02 0.10 1.03 -0.63 0.23 0.00 0.00 176.35 177.10 2iv9 s ILE 820 N 0.79 4.70 0.04 -0.59 1.01 -0.12 -4.99 121.20 122.05 2iv9 s ILE 820 Ca 0.01 2.01 -0.31 0.00 0.00 0.00 0.00 60.65 62.36 2iv9 s ILE 820 Cb -0.14 -4.30 -0.06 0.00 0.01 0.00 0.00 42.46 37.97 2iv9 s ILE 820 CO 0.02 -0.14 1.27 -2.16 0.00 0.00 0.00 174.94 173.92 2iv9 s PRO 821 N 2.99 4.37 0.57 2.79 0.04 -1.26 -4.83 135.00 139.67 2iv9 s PRO 821 Ca 0.44 1.85 0.35 0.00 0.04 0.00 0.00 61.00 63.68 2iv9 s PRO 821 Cb -0.16 -3.40 1.60 0.00 0.04 0.00 0.00 34.50 32.59 2iv9 s PRO 821 CO 0.08 -0.37 2.08 -0.07 0.04 0.00 0.00 177.00 178.76 2iv9 h LEU 822 N 7.26 0.00 -1.71 -3.56 3.38 -1.95 -2.50 115.31 116.23 2iv9 h LEU 822 Ca -0.40 0.00 0.18 0.00 0.09 0.00 0.00 57.88 57.75 2iv9 h LEU 822 Cb 1.20 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.90 2iv9 h LEU 822 CO 0.85 0.04 0.53 -0.55 0.09 0.00 0.00 178.44 179.39 2iv9 h ASN 823 N 0.00 0.26 0.52 -0.43 -1.07 -1.93 0.12 115.58 113.05 2iv9 h ASN 823 Ca -0.00 0.02 0.00 0.00 0.07 0.00 0.00 56.30 56.39 2iv9 h ASN 823 Cb 0.39 -0.03 0.00 0.00 -2.07 0.00 0.00 38.32 36.61 2iv9 h ASN 823 CO 0.00 0.12 0.00 1.33 0.07 0.00 0.00 177.43 178.95 2iv9 n VAL 824 N -4.43 0.91 -0.26 6.14 0.24 -0.94 -1.86 118.33 118.13 2iv9 n VAL 824 Ca 0.16 0.37 0.09 0.00 -2.04 0.00 0.00 64.34 62.91 2iv9 n VAL 824 Cb 0.67 -1.31 0.25 0.00 -1.47 0.00 0.00 33.84 31.97 2iv9 n VAL 824 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 2iv9 n LEU 825 N -2.21 3.49 -4.68 1.34 4.77 0.41 -4.81 117.00 115.31 2iv9 n LEU 825 Ca 0.01 -1.97 -0.42 0.00 -0.03 0.00 0.00 56.01 53.60 2iv9 n LEU 825 Cb 0.17 -0.37 -0.03 0.00 -2.33 0.00 0.00 43.42 40.86 2iv9 n LEU 825 CO 0.17 0.87 0.74 -0.36 -1.33 0.00 0.00 177.39 177.47 2iv9 s PHE 826 N -1.01 3.47 0.30 -1.77 0.08 -0.78 -1.07 117.98 117.21 2iv9 s PHE 826 Ca 0.37 1.48 -0.09 0.00 0.12 0.00 0.00 56.93 58.82 2iv9 s PHE 826 Cb 0.20 -3.14 -0.06 0.00 -0.57 0.00 0.00 43.02 39.45 2iv9 s PHE 826 CO 0.26 -0.24 0.62 0.14 -0.10 0.00 0.00 175.22 175.90 2iv9 s VAL 827 N 2.13 4.91 0.43 -0.44 -7.23 0.21 -4.90 120.40 115.51 2iv9 s VAL 827 Ca 0.45 0.39 0.13 0.00 -1.81 0.00 0.00 61.98 61.14 2iv9 s VAL 827 Cb -0.17 -3.69 0.32 0.00 0.56 0.00 0.00 36.38 33.39 2iv9 s VAL 827 CO 0.15 -0.29 2.00 -0.08 -0.31 0.00 0.00 175.10 176.57 2iv9 h GLU 828 N 1.86 0.41 -2.01 4.82 4.57 -1.91 -3.20 114.58 119.11 2iv9 h GLU 828 Ca -0.47 -0.02 -0.17 0.00 -1.18 0.00 0.00 59.36 57.51 2iv9 h GLU 828 Cb 1.18 -0.09 -0.06 0.00 -0.16 0.00 0.00 28.75 29.62 2iv9 h GLU 828 CO 0.66 0.27 -0.34 -3.47 -1.18 0.00 0.00 179.01 174.95 2iv9 n ASP 829 N -4.47 5.16 -0.55 1.04 -0.08 -1.26 -4.51 116.55 111.89 2iv9 n ASP 829 Ca 0.08 -2.46 0.08 0.00 -1.51 0.00 0.00 54.79 50.99 2iv9 n ASP 829 Cb 0.31 -1.37 0.20 0.00 2.34 0.00 0.00 41.12 42.60 2iv9 n ASP 829 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2iv9 n GLY 830 N 2.42 4.49 3.41 0.27 0.00 -1.21 -4.84 105.19 109.72 2iv9 n GLY 830 Ca 0.39 -1.10 -0.43 0.00 0.00 0.00 0.00 46.02 44.87 2iv9 n GLY 830 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2iv9 s LYS 831 N -2.89 2.92 0.43 1.61 2.20 -1.26 -3.51 119.74 119.24 2iv9 s LYS 831 Ca 0.38 -1.18 -0.21 0.00 -0.36 0.00 0.00 55.97 54.60 2iv9 s LYS 831 Cb 0.32 -3.98 -0.11 0.00 -1.51 0.00 0.00 37.83 32.56 2iv9 s LYS 831 CO 0.05 -0.85 0.95 1.41 -0.36 0.00 0.00 175.35 176.55 2iv9 s MET 832 N 1.63 4.24 0.31 4.03 -2.45 -1.26 -5.03 119.30 120.76 2iv9 s MET 832 Ca 0.04 1.13 -0.29 0.00 -1.25 0.00 0.00 55.69 55.33 2iv9 s MET 832 Cb -0.21 -2.21 -0.10 0.00 1.25 0.00 0.00 34.83 33.56 2iv9 s MET 832 CO 0.08 -0.02 1.15 -1.21 1.05 0.00 0.00 175.02 176.07 2iv9 s GLU 833 N -3.12 4.50 0.22 4.11 2.02 -1.26 -4.91 118.70 120.26 2iv9 s GLU 833 Ca 0.61 1.89 -0.09 0.00 0.02 0.00 0.00 54.97 57.40 2iv9 s GLU 833 Cb -0.10 -3.09 0.18 0.00 0.10 0.00 0.00 34.13 31.23 2iv9 s GLU 833 CO 0.14 0.06 1.89 0.00 0.02 0.00 0.00 175.26 177.37 2iv9 h ARG 834 N 3.55 1.09 -0.93 1.61 3.08 -1.96 -0.60 114.38 120.22 2iv9 h ARG 834 Ca -0.47 -0.07 0.05 0.00 0.07 0.00 0.00 59.98 59.56 2iv9 h ARG 834 Cb 1.22 -0.24 -0.06 0.00 0.08 0.00 0.00 29.97 30.96 2iv9 h ARG 834 CO 0.66 0.73 0.60 0.37 -1.07 0.00 0.00 179.97 181.25 2iv9 h GLN 835 N 1.12 1.09 -0.12 0.04 4.15 -2.01 -2.21 115.11 117.16 2iv9 h GLN 835 Ca 0.30 -0.07 -0.20 0.00 0.77 0.00 0.00 58.65 59.46 2iv9 h GLN 835 Cb -0.12 -0.25 0.00 0.00 0.21 0.00 0.00 27.48 27.32 2iv9 h GLN 835 CO -0.06 0.72 -0.73 0.28 -1.93 0.00 0.00 178.83 177.10 2iv9 h VAL 836 N 1.12 1.33 -0.06 2.39 2.07 -1.70 -3.01 116.25 118.40 2iv9 h VAL 836 Ca 0.39 -2.03 0.03 0.00 0.82 0.00 0.00 66.70 65.90 2iv9 h VAL 836 Cb 0.10 2.02 -0.03 0.00 -1.52 0.00 0.00 31.29 31.85 2iv9 h VAL 836 CO -0.15 0.63 -0.10 0.15 0.02 0.00 0.00 177.57 178.11 2iv9 h PHE 837 N 0.41 -0.26 0.25 1.57 3.04 -0.56 -0.29 116.94 121.09 2iv9 h PHE 837 Ca -0.04 0.01 -0.01 0.00 3.98 0.00 0.00 57.97 61.91 2iv9 h PHE 837 Cb 1.33 0.13 0.00 0.00 2.56 0.00 0.00 35.95 39.97 2iv9 h PHE 837 CO 0.06 -0.16 -0.12 -0.07 -2.02 0.00 0.00 178.31 176.01 2iv9 h LEU 838 N -0.15 -0.28 -0.13 0.59 3.38 -1.48 0.11 115.31 117.35 2iv9 h LEU 838 Ca 0.06 0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.07 2iv9 h LEU 838 Cb 0.23 0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.02 2iv9 h LEU 838 CO -0.15 -0.20 -0.09 0.00 0.09 0.00 0.00 178.44 178.09 2iv9 h ALA 839 N 0.42 0.02 -0.43 1.53 0.00 -1.50 -1.01 119.26 118.30 2iv9 h ALA 839 Ca -0.03 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 2iv9 h ALA 839 Cb 0.26 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 2iv9 h ALA 839 CO 0.06 -0.54 0.19 1.15 0.00 0.00 0.00 179.25 180.11 2iv9 h THR 840 N -0.09 1.19 -0.60 0.00 2.02 -0.92 -1.01 112.91 113.50 2iv9 h THR 840 Ca 0.08 -0.55 0.05 0.00 0.77 0.00 0.00 66.41 66.76 2iv9 h THR 840 Cb 0.21 0.76 -0.05 0.00 -1.74 0.00 0.00 68.15 67.33 2iv9 h THR 840 CO -0.19 0.21 0.32 -0.25 0.37 0.00 0.00 175.52 175.98 2iv9 h TRP 841 N 0.54 0.59 0.03 3.16 2.91 -0.59 -1.01 115.95 121.59 2iv9 h TRP 841 Ca 0.14 0.02 0.01 0.00 1.13 0.00 0.00 58.89 60.20 2iv9 h TRP 841 Cb 0.15 -0.18 -0.02 0.00 -0.51 0.00 0.00 29.16 28.60 2iv9 h TRP 841 CO -0.01 0.29 -0.09 0.87 -1.03 0.00 0.00 178.44 178.47 2iv9 h LYS 842 N 0.61 -0.16 -0.08 2.65 1.57 -0.86 -3.30 116.57 116.99 2iv9 h LYS 842 Ca 0.26 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 59.04 2iv9 h LYS 842 Cb 0.15 0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.50 2iv9 h LYS 842 CO -0.17 -0.11 -0.01 -0.44 -0.57 0.00 0.00 179.45 178.16 2iv9 h ASP 843 N -0.17 0.15 -1.86 0.86 3.32 -0.93 -3.43 116.42 114.36 2iv9 h ASP 843 Ca 0.02 -0.33 -0.66 0.00 0.02 0.00 0.00 57.03 56.09 2iv9 h ASP 843 Cb 0.19 -0.04 0.02 0.00 0.22 0.00 0.00 39.33 39.73 2iv9 h ASP 843 CO -0.07 0.44 0.99 -0.38 -1.72 0.00 0.00 179.24 178.50 2iv9 n ILE 844 N -4.83 0.43 -1.65 0.35 5.41 -0.41 -4.85 119.36 113.81 2iv9 n ILE 844 Ca -0.07 -0.08 -0.42 0.00 1.00 0.00 0.00 62.75 63.18 2iv9 n ILE 844 Cb 0.20 -1.58 -0.00 0.00 -0.71 0.00 0.00 39.64 37.55 2iv9 n ILE 844 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 2iv9 n PRO 845 N 5.83 1.72 0.00 0.38 -0.02 -1.26 -4.85 135.00 136.80 2iv9 n PRO 845 Ca 0.23 0.61 0.03 0.00 -2.02 0.00 0.00 63.50 62.35 2iv9 n PRO 845 Cb 0.23 -2.16 0.14 0.00 -0.02 0.00 0.00 33.50 31.70 2iv9 n PRO 845 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 2iv9 n ASN 846 N 0.70 0.00 0.19 2.55 5.15 -1.26 -0.97 115.26 121.63 2iv9 n ASN 846 Ca 0.07 0.42 0.04 0.00 -0.60 0.00 0.00 54.58 54.51 2iv9 n ASN 846 Cb 0.37 -0.44 0.40 0.00 -0.53 0.00 0.00 39.78 39.57 2iv9 n ASN 846 CO 0.00 0.00 0.00 -0.33 1.40 0.00 0.00 177.26 178.33 2iv9 h GLU 847 N 0.00 0.00 0.00 1.20 3.07 -2.01 -2.86 114.58 113.98 2iv9 h GLU 847 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2iv9 h GLU 847 Cb 0.10 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.01 2iv9 h GLU 847 CO 0.00 0.34 0.00 -0.91 -1.40 0.00 0.00 179.01 177.04 2iv9 h ASN 848 N 0.00 0.00 -2.99 1.42 4.21 -1.40 -3.46 115.58 113.37 2iv9 h ASN 848 Ca -0.00 0.00 -0.54 0.00 1.21 0.00 0.00 56.30 56.96 2iv9 h ASN 848 Cb 0.64 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.84 2iv9 h ASN 848 CO 0.04 0.00 0.76 -0.70 -1.29 0.00 0.00 177.43 176.25 2iv9 s GLU 849 N -3.23 4.32 -0.03 0.81 2.12 -1.08 -4.37 118.70 117.23 2iv9 s GLU 849 Ca 0.07 1.88 0.05 0.00 0.36 0.00 0.00 54.97 57.33 2iv9 s GLU 849 Cb 0.07 -3.53 -0.01 0.00 0.26 0.00 0.00 34.13 30.92 2iv9 s GLU 849 CO 0.64 -0.50 -0.19 -0.51 -0.54 0.00 0.00 175.26 174.16 2iv9 s LEU 850 N 2.14 1.99 0.01 2.70 1.43 -0.28 -4.97 118.68 121.69 2iv9 s LEU 850 Ca 0.61 -0.37 0.05 0.00 -1.03 0.00 0.00 54.13 53.39 2iv9 s LEU 850 Cb -0.30 -1.02 -0.03 0.00 0.03 0.00 0.00 46.19 44.87 2iv9 s LEU 850 CO 0.26 0.21 -0.12 -1.10 0.23 0.00 0.00 176.35 175.82 2iv9 s GLN 851 N -0.24 2.37 0.07 1.70 -0.21 -1.26 -0.62 119.66 121.47 2iv9 s GLN 851 Ca 0.02 -0.81 0.00 0.00 0.02 0.00 0.00 55.36 54.60 2iv9 s GLN 851 Cb -0.10 -2.36 -0.04 0.00 1.00 0.00 0.00 33.01 31.51 2iv9 s GLN 851 CO 0.01 0.58 -0.05 -0.06 -2.12 0.00 0.00 175.29 173.65 2iv9 s PHE 852 N -0.92 0.70 -0.16 0.91 0.40 0.14 -4.99 117.98 114.06 2iv9 s PHE 852 Ca 0.15 -0.98 0.00 0.00 -0.60 0.00 0.00 56.93 55.51 2iv9 s PHE 852 Cb -0.11 -0.45 0.00 0.00 0.51 0.00 0.00 43.02 42.97 2iv9 s PHE 852 CO 0.05 -0.26 -0.15 -0.65 0.70 0.00 0.00 175.22 174.91 2iv9 s GLN 853 N -3.80 3.20 -0.37 0.44 -1.52 -1.26 -0.37 119.66 115.98 2iv9 s GLN 853 Ca 0.09 -0.75 -0.17 0.00 -1.95 0.00 0.00 55.36 52.57 2iv9 s GLN 853 Cb 0.06 -2.63 0.00 0.00 -0.22 0.00 0.00 33.01 30.22 2iv9 s GLN 853 CO -0.07 -0.01 0.46 0.42 -0.25 0.00 0.00 175.29 175.83 2iv9 s ILE 854 N 0.89 5.07 0.03 1.08 1.01 0.34 -4.94 121.20 124.67 2iv9 s ILE 854 Ca -0.04 0.07 0.03 0.00 0.00 0.00 0.00 60.65 60.71 2iv9 s ILE 854 Cb -0.15 -3.96 -0.04 0.00 0.01 0.00 0.00 42.46 38.33 2iv9 s ILE 854 CO -0.01 -0.25 -0.01 -0.54 0.00 0.00 0.00 174.94 174.13 2iv9 s LYS 855 N 2.25 2.67 -0.89 2.79 1.02 -1.26 -0.02 119.74 126.30 2iv9 s LYS 855 Ca 0.15 -0.71 -0.04 0.00 0.02 0.00 0.00 55.97 55.39 2iv9 s LYS 855 Cb -0.16 -2.60 0.00 0.00 -0.52 0.00 0.00 37.83 34.55 2iv9 s LYS 855 CO 0.13 0.59 0.57 0.39 -0.92 0.00 0.00 175.35 176.11 2iv9 n GLU 856 N 1.09 -4.06 -4.93 1.68 1.02 0.10 -4.95 120.64 110.59 2iv9 n GLU 856 Ca -0.13 0.53 -0.33 0.00 -0.02 0.00 0.00 57.16 57.22 2iv9 n GLU 856 Cb 0.52 -4.63 -0.15 0.00 -0.02 0.00 0.00 31.44 27.16 2iv9 n GLU 856 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2iv9 n HIS 858 N 3.33 0.00 -2.46 0.00 8.25 -1.26 -4.38 115.22 118.69 2iv9 n HIS 858 Ca -0.18 -0.53 -0.36 0.00 -0.26 0.00 0.00 57.72 56.39 2iv9 n HIS 858 Cb 0.53 -0.06 -0.03 0.00 1.12 0.00 0.00 29.99 31.54 2iv9 n HIS 858 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2iv9 s LEU 859 N -1.22 4.01 0.86 2.41 1.43 -1.26 -5.05 118.68 119.85 2iv9 s LEU 859 Ca 0.06 2.08 -0.13 0.00 -1.03 0.00 0.00 54.13 55.11 2iv9 s LEU 859 Cb 0.05 -4.31 0.11 0.00 0.03 0.00 0.00 46.19 42.07 2iv9 s LEU 859 CO 0.01 -0.70 1.20 0.54 0.23 0.00 0.00 176.35 177.62 2iv9 s ASN 860 N -1.63 4.06 0.34 2.29 2.20 -1.26 -4.82 114.94 116.12 2iv9 s ASN 860 Ca 0.62 0.72 0.09 0.00 -0.94 0.00 0.00 52.86 53.35 2iv9 s ASN 860 Cb -0.22 -1.15 0.61 0.00 -2.00 0.00 0.00 41.25 38.49 2iv9 s ASN 860 CO 0.27 -2.18 1.79 0.00 -2.94 0.00 0.00 177.10 174.04 2iv9 h ALA 861 N -1.25 1.29 -0.49 3.54 0.00 -1.99 -1.14 119.26 119.22 2iv9 h ALA 861 Ca -0.46 -0.33 -0.05 0.00 0.00 0.00 0.00 54.91 54.06 2iv9 h ALA 861 Cb 1.31 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 2iv9 h ALA 861 CO 0.60 0.49 0.10 -0.44 0.00 0.00 0.00 179.25 180.00 2iv9 h ASP 862 N 0.16 0.77 0.34 0.00 3.32 -1.99 -1.89 116.42 117.12 2iv9 h ASP 862 Ca 0.02 -0.25 -0.26 0.00 0.02 0.00 0.00 57.03 56.57 2iv9 h ASP 862 Cb 0.65 -0.20 0.01 0.00 0.22 0.00 0.00 39.33 40.01 2iv9 h ASP 862 CO 0.05 0.82 -1.09 0.74 -1.72 0.00 0.00 179.24 178.04 2iv9 h THR 863 N 0.68 1.39 -0.03 0.35 2.02 -1.82 -1.74 112.91 113.77 2iv9 h THR 863 Ca 0.15 -2.58 0.03 0.00 0.77 0.00 0.00 66.41 64.78 2iv9 h THR 863 Cb 0.37 2.61 -0.04 0.00 -1.74 0.00 0.00 68.15 69.35 2iv9 h THR 863 CO 0.01 0.77 -0.18 0.58 0.37 0.00 0.00 175.52 177.07 2iv9 h VAL 864 N 0.21 0.57 -0.54 3.16 2.07 -1.27 -1.00 116.25 119.45 2iv9 h VAL 864 Ca -0.12 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.46 2iv9 h VAL 864 Cb 1.76 0.57 -0.05 0.00 -1.52 0.00 0.00 31.29 32.05 2iv9 h VAL 864 CO 0.19 0.00 0.25 -1.28 0.02 0.00 0.00 177.57 176.75 2iv9 h SER 865 N -0.27 0.33 -0.09 0.57 0.87 -1.23 -1.37 113.55 112.36 2iv9 h SER 865 Ca 0.06 0.04 -0.01 0.00 -1.23 0.00 0.00 61.79 60.66 2iv9 h SER 865 Cb 0.36 -0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 62.31 2iv9 h SER 865 CO -0.19 0.22 0.01 -1.28 -0.53 0.00 0.00 176.83 175.06 2iv9 h SER 866 N 0.47 0.14 -0.52 6.23 0.87 -1.18 0.38 113.55 119.94 2iv9 h SER 866 Ca 0.25 -0.28 0.02 0.00 -1.23 0.00 0.00 61.79 60.55 2iv9 h SER 866 Cb 0.21 -0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 62.11 2iv9 h SER 866 CO -0.21 0.38 0.33 0.11 -0.53 0.00 0.00 176.83 176.91 2iv9 h LYS 867 N -0.11 0.64 -0.71 2.24 1.57 -1.04 -1.57 116.57 117.59 2iv9 h LYS 867 Ca 0.03 -0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 58.70 2iv9 h LYS 867 Cb 0.31 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.44 2iv9 h LYS 867 CO 0.00 0.42 0.17 -0.07 -0.57 0.00 0.00 179.45 179.41 2iv9 h LEU 868 N 0.65 1.07 -1.46 2.94 3.38 -1.19 -2.73 115.31 117.98 2iv9 h LEU 868 Ca 0.20 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 2iv9 h LEU 868 Cb -0.01 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.44 2iv9 h LEU 868 CO -0.08 1.02 0.03 -0.61 0.09 0.00 0.00 178.44 178.89 2iv9 h GLN 869 N 1.07 0.38 0.00 1.13 4.15 -0.44 -0.35 115.11 121.05 2iv9 h GLN 869 Ca 0.22 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.58 2iv9 h GLN 869 Cb 0.37 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 27.99 2iv9 h GLN 869 CO 0.00 0.39 0.00 -1.71 -1.93 0.00 0.00 178.83 175.58 2iv9 n ASN 870 N -4.35 0.49 -0.42 -0.69 5.15 -0.62 -1.71 115.26 113.11 2iv9 n ASN 870 Ca 0.01 0.66 0.09 0.00 -0.60 0.00 0.00 54.58 54.74 2iv9 n ASN 870 Cb 0.19 -0.75 0.19 0.00 -0.53 0.00 0.00 39.78 38.88 2iv9 n ASN 870 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 2iv9 n ASN 871 N -2.09 2.96 -1.26 1.20 3.02 -0.30 -3.49 115.26 115.32 2iv9 n ASN 871 Ca 0.01 -3.08 -0.12 0.00 -0.03 0.00 0.00 54.58 51.36 2iv9 n ASN 871 Cb 0.14 -0.48 -0.02 0.00 -0.61 0.00 0.00 39.78 38.80 2iv9 n ASN 871 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2iv9 n ASN 872 N -1.06 -4.10 -4.35 6.41 3.02 -0.69 -4.87 115.26 109.61 2iv9 n ASN 872 Ca 0.18 0.09 -0.37 0.00 -0.03 0.00 0.00 54.58 54.45 2iv9 n ASN 872 Cb 0.75 -3.10 -0.13 0.00 -0.61 0.00 0.00 39.78 36.69 2iv9 n ASN 872 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2iv9 s VAL 873 N -2.56 3.98 -0.12 2.41 1.01 -0.32 -4.65 120.40 120.15 2iv9 s VAL 873 Ca 0.00 -0.65 -0.07 0.00 0.00 0.00 0.00 61.98 61.26 2iv9 s VAL 873 Cb 0.00 -3.04 -0.04 0.00 0.00 0.00 0.00 36.38 33.30 2iv9 s VAL 873 CO 0.00 0.10 0.12 -0.31 0.00 0.00 0.00 175.10 175.02 2iv9 s TYR 874 N 1.51 3.54 -0.42 5.22 2.02 -0.09 -2.22 117.35 126.91 2iv9 s TYR 874 Ca 0.03 0.47 -0.13 0.00 -0.37 0.00 0.00 57.07 57.07 2iv9 s TYR 874 Cb -0.17 -1.94 0.04 0.00 -0.40 0.00 0.00 41.96 39.50 2iv9 s TYR 874 CO 0.02 0.68 0.29 0.99 -1.57 0.00 0.00 175.55 175.96 2iv9 s THR 875 N -0.91 4.92 -0.29 -0.71 2.01 -1.26 -1.05 115.64 118.36 2iv9 s THR 875 Ca 0.14 -0.92 0.22 0.00 0.31 0.00 0.00 61.69 61.45 2iv9 s THR 875 Cb -0.12 -3.83 -0.23 0.00 0.01 0.00 0.00 72.50 68.33 2iv9 s THR 875 CO 0.03 -0.38 0.73 2.30 -0.69 0.00 0.00 174.62 176.61 2iv9 n ILE 876 N 5.09 0.13 -3.66 1.82 -5.35 -0.12 -4.95 119.36 112.33 2iv9 n ILE 876 Ca -0.11 -0.40 -0.12 0.00 -0.27 0.00 0.00 62.75 61.84 2iv9 n ILE 876 Cb 0.45 0.10 -0.06 0.00 -1.74 0.00 0.00 39.64 38.39 2iv9 n ILE 876 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2iv9 s ALA 877 N -3.37 -1.00 -0.01 -1.28 0.00 -1.17 -4.94 121.76 110.00 2iv9 s ALA 877 Ca -0.03 0.26 0.00 0.00 0.00 0.00 0.00 51.96 52.20 2iv9 s ALA 877 Cb 0.14 0.39 0.01 0.00 0.00 0.00 0.00 23.12 23.65 2iv9 s ALA 877 CO 0.87 -0.48 -0.01 0.21 0.00 0.00 0.00 175.76 176.34 2iv9 s LYS 878 N -2.64 0.16 -0.03 0.00 2.20 -1.26 -1.16 119.74 117.01 2iv9 s LYS 878 Ca -0.04 -0.02 0.01 0.00 -0.36 0.00 0.00 55.97 55.56 2iv9 s LYS 878 Cb -0.00 -0.21 0.01 0.00 -1.51 0.00 0.00 37.83 36.12 2iv9 s LYS 878 CO -0.04 -0.01 -0.04 1.03 -0.36 0.00 0.00 175.35 175.93 2iv9 s ARG 879 N 0.23 0.65 -0.38 4.03 0.52 0.71 -4.98 118.95 119.74 2iv9 s ARG 879 Ca -0.02 -0.11 -0.03 0.00 -0.52 0.00 0.00 55.73 55.05 2iv9 s ARG 879 Cb -0.04 -0.67 0.09 0.00 0.52 0.00 0.00 34.95 34.85 2iv9 s ARG 879 CO -0.01 -0.02 0.15 1.21 0.02 0.00 0.00 175.30 176.66 2iv9 s ASN 880 N 0.59 5.19 -0.15 0.23 3.04 -1.26 0.95 114.94 123.53 2iv9 s ASN 880 Ca -0.07 -1.79 0.01 0.00 0.04 0.00 0.00 52.86 51.05 2iv9 s ASN 880 Cb -0.11 -1.81 0.02 0.00 -1.54 0.00 0.00 41.25 37.81 2iv9 s ASN 880 CO -0.00 -0.47 -0.18 -0.69 -3.04 0.00 0.00 177.10 172.72 2iv9 s VAL 881 N 1.19 1.87 -0.95 -5.21 1.01 -0.21 -4.87 120.40 113.22 2iv9 s VAL 881 Ca 0.05 -0.83 -0.20 0.00 0.00 0.00 0.00 61.98 60.99 2iv9 s VAL 881 Cb -0.22 -1.69 0.03 0.00 0.00 0.00 0.00 36.38 34.50 2iv9 s VAL 881 CO -0.03 0.51 0.57 -0.62 0.00 0.00 0.00 175.10 175.53 2iv9 n GLU 882 N 4.50 -0.67 -0.61 2.72 1.02 -1.26 -1.29 120.64 125.04 2iv9 n GLU 882 Ca -0.19 0.22 0.00 0.00 -0.02 0.00 0.00 57.16 57.17 2iv9 n GLU 882 Cb 0.50 -2.00 0.00 0.00 -0.02 0.00 0.00 31.44 29.92 2iv9 n GLU 882 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2iv9 n GLY 883 N -1.81 1.77 3.31 0.62 0.00 -1.26 -5.00 105.19 102.82 2iv9 n GLY 883 Ca -0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.50 2iv9 n GLY 883 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2iv9 s GLN 884 N -0.00 3.35 -0.06 1.61 -0.21 -0.41 -4.13 119.66 119.80 2iv9 s GLN 884 Ca 0.00 -0.64 -0.28 0.00 0.02 0.00 0.00 55.36 54.46 2iv9 s GLN 884 Cb 0.00 -3.01 -0.03 0.00 1.00 0.00 0.00 33.01 30.97 2iv9 s GLN 884 CO 0.00 -0.21 0.91 -0.51 -2.12 0.00 0.00 175.29 173.36 2iv9 s ASP 885 N 1.47 7.21 -0.23 5.90 1.01 -0.69 -1.04 116.67 130.31 2iv9 s ASP 885 Ca 0.06 1.47 -0.02 0.00 0.71 0.00 0.00 52.55 54.77 2iv9 s ASP 885 Cb -0.14 -2.52 0.02 0.00 1.01 0.00 0.00 42.92 41.28 2iv9 s ASP 885 CO -0.03 -0.29 -0.08 -0.32 0.21 0.00 0.00 175.17 174.66 2iv9 s MET 886 N 1.34 3.01 -0.21 8.23 -2.45 0.27 0.21 119.30 129.70 2iv9 s MET 886 Ca 0.46 -0.85 -0.06 0.00 -1.25 0.00 0.00 55.69 53.98 2iv9 s MET 886 Cb -0.19 -2.92 -0.03 0.00 1.25 0.00 0.00 34.83 32.93 2iv9 s MET 886 CO 0.22 -0.31 0.04 -0.51 1.05 0.00 0.00 175.02 175.51 2iv9 s LEU 887 N 1.36 3.46 -0.23 4.11 1.43 0.63 -0.20 118.68 129.24 2iv9 s LEU 887 Ca 0.03 -0.14 -0.12 0.00 -1.03 0.00 0.00 54.13 52.87 2iv9 s LEU 887 Cb -0.15 -1.90 -0.05 0.00 0.03 0.00 0.00 46.19 44.12 2iv9 s LEU 887 CO -0.06 0.05 0.25 -0.31 0.23 0.00 0.00 176.35 176.51 2iv9 s TYR 888 N 1.09 3.33 0.04 0.29 2.02 -0.30 -0.31 117.35 123.50 2iv9 s TYR 888 Ca 0.03 0.36 0.02 0.00 -0.37 0.00 0.00 57.07 57.11 2iv9 s TYR 888 Cb -0.14 -2.37 -0.02 0.00 -0.40 0.00 0.00 41.96 39.03 2iv9 s TYR 888 CO 0.03 0.02 -0.07 -0.65 -1.57 0.00 0.00 175.55 173.31 2iv9 s GLN 889 N 1.19 0.50 0.10 -0.62 -0.21 0.61 -0.95 119.66 120.29 2iv9 s GLN 889 Ca 0.12 -0.75 0.05 0.00 0.02 0.00 0.00 55.36 54.79 2iv9 s GLN 889 Cb -0.14 -0.22 -0.03 0.00 1.00 0.00 0.00 33.01 33.61 2iv9 s GLN 889 CO 0.06 0.03 -0.13 -1.54 -2.12 0.00 0.00 175.29 171.59 2iv9 s SER 890 N -1.61 1.72 0.18 5.90 1.04 -0.21 -0.32 113.70 120.39 2iv9 s SER 890 Ca -0.10 -0.76 -0.16 0.00 0.48 0.00 0.00 55.95 55.41 2iv9 s SER 890 Cb -0.09 -0.04 0.02 0.00 0.10 0.00 0.00 66.02 66.01 2iv9 s SER 890 CO -0.00 -0.17 0.46 -1.48 0.98 0.00 0.00 173.24 173.02 2iv9 s LEU 891 N -2.28 0.30 -0.02 2.42 -0.00 -0.84 -0.91 118.68 117.36 2iv9 s LEU 891 Ca 0.05 -0.53 -0.02 0.00 -0.00 0.00 0.00 54.13 53.64 2iv9 s LEU 891 Cb -0.05 1.91 0.01 0.00 -0.00 0.00 0.00 46.19 48.06 2iv9 s LEU 891 CO 0.02 -0.99 0.06 -0.75 -0.00 0.00 0.00 176.35 174.69 2iv9 s LYS 892 N -3.88 0.05 0.52 1.48 2.20 -1.26 -0.89 119.74 117.95 2iv9 s LYS 892 Ca 0.10 0.12 0.01 0.00 -0.36 0.00 0.00 55.97 55.83 2iv9 s LYS 892 Cb 0.00 -0.03 0.02 0.00 -1.51 0.00 0.00 37.83 36.31 2iv9 s LYS 892 CO -0.04 -0.05 0.75 -0.51 -0.36 0.00 0.00 175.35 175.14 2iv9 s LEU 893 N 0.29 3.39 0.54 5.43 1.43 -0.41 -0.62 118.68 128.74 2iv9 s LEU 893 Ca -0.02 0.13 0.26 0.00 -1.03 0.00 0.00 54.13 53.46 2iv9 s LEU 893 Cb -0.03 -3.00 1.52 0.00 0.03 0.00 0.00 46.19 44.71 2iv9 s LEU 893 CO -0.01 -0.99 2.13 0.71 0.23 0.00 0.00 176.35 178.42 2iv9 h THR 894 N 0.16 0.66 -0.40 5.49 1.35 -1.44 -1.00 112.91 117.73 2iv9 h THR 894 Ca -0.44 -0.32 0.00 0.00 -0.55 0.00 0.00 66.41 65.10 2iv9 h THR 894 Cb 1.28 1.20 0.00 0.00 -1.73 0.00 0.00 68.15 68.90 2iv9 h THR 894 CO 0.54 0.08 0.00 -0.46 -0.25 0.00 0.00 175.52 175.43 2iv9 n ASN 895 N -3.86 2.22 0.00 5.36 6.94 -1.26 -4.95 115.26 119.71 2iv9 n ASN 895 Ca -0.02 -2.03 0.00 0.00 -0.02 0.00 0.00 54.58 52.51 2iv9 n ASN 895 Cb 0.17 -0.29 0.00 0.00 -2.36 0.00 0.00 39.78 37.31 2iv9 n ASN 895 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2iv9 n GLY 896 N 1.10 1.03 3.68 4.83 0.00 -0.38 -5.04 105.19 110.41 2iv9 n GLY 896 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 2iv9 n GLY 896 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2iv9 s ILE 897 N -2.28 3.57 -0.06 -0.61 1.01 -1.26 -4.77 121.20 116.79 2iv9 s ILE 897 Ca 0.00 0.86 -0.15 0.00 0.00 0.00 0.00 60.65 61.36 2iv9 s ILE 897 Cb 0.00 -3.55 -0.05 0.00 0.01 0.00 0.00 42.46 38.87 2iv9 s ILE 897 CO 0.00 -0.04 0.39 0.26 0.00 0.00 0.00 174.94 175.56 2iv9 s TRP 898 N 3.17 3.62 -0.08 3.97 0.52 -1.26 -1.28 118.94 127.59 2iv9 s TRP 898 Ca 0.69 0.88 0.03 0.00 0.02 0.00 0.00 56.10 57.72 2iv9 s TRP 898 Cb -0.33 -2.35 -0.02 0.00 -1.15 0.00 0.00 33.47 29.62 2iv9 s TRP 898 CO 0.28 0.45 -0.18 0.42 0.02 0.00 0.00 176.95 177.94 2iv9 s ILE 899 N -0.36 2.69 -0.11 2.03 1.09 -0.07 -4.53 121.20 121.94 2iv9 s ILE 899 Ca 0.23 -0.83 -0.01 0.00 -1.10 0.00 0.00 60.65 58.93 2iv9 s ILE 899 Cb -0.15 -2.05 -0.03 0.00 -1.06 0.00 0.00 42.46 39.17 2iv9 s ILE 899 CO 0.10 0.56 -0.06 -0.76 -0.10 0.00 0.00 174.94 174.69 2iv9 s LEU 900 N -0.19 3.15 0.05 2.97 1.02 -0.55 -1.98 118.68 123.15 2iv9 s LEU 900 Ca -0.01 -0.10 0.05 0.00 0.02 0.00 0.00 54.13 54.10 2iv9 s LEU 900 Cb -0.13 -1.72 -0.02 0.00 0.02 0.00 0.00 46.19 44.33 2iv9 s LEU 900 CO 0.03 0.26 -0.15 0.00 0.02 0.00 0.00 176.35 176.51 2iv9 s ALA 901 N -0.22 1.29 -0.16 4.21 0.00 0.56 -1.32 121.76 126.12 2iv9 s ALA 901 Ca 0.03 -0.91 0.00 0.00 0.00 0.00 0.00 51.96 51.09 2iv9 s ALA 901 Cb -0.13 -0.20 0.03 0.00 0.00 0.00 0.00 23.12 22.82 2iv9 s ALA 901 CO 0.03 0.24 -0.13 -1.21 0.00 0.00 0.00 175.76 174.69 2iv9 s GLU 902 N -1.27 2.24 -0.19 0.00 2.02 -0.43 -0.28 118.70 120.78 2iv9 s GLU 902 Ca 0.02 -0.63 -0.03 0.00 0.02 0.00 0.00 54.97 54.35 2iv9 s GLU 902 Cb -0.08 -2.19 -0.01 0.00 0.10 0.00 0.00 34.13 31.94 2iv9 s GLU 902 CO 0.02 -0.29 -0.06 -1.17 0.02 0.00 0.00 175.26 173.78 2iv9 s LEU 903 N 1.46 2.94 -0.15 1.80 2.96 0.57 -1.22 118.68 127.04 2iv9 s LEU 903 Ca 0.03 -0.32 -0.02 0.00 -0.22 0.00 0.00 54.13 53.60 2iv9 s LEU 903 Cb -0.14 -1.72 -0.02 0.00 0.50 0.00 0.00 46.19 44.81 2iv9 s LEU 903 CO -0.10 0.06 -0.07 -0.60 -1.32 0.00 0.00 176.35 174.32 2iv9 s ARG 904 N 1.01 3.54 -0.19 1.98 3.52 -0.47 -0.27 118.95 128.07 2iv9 s ARG 904 Ca 0.00 -0.59 -0.02 0.00 -0.13 0.00 0.00 55.73 55.00 2iv9 s ARG 904 Cb -0.15 -2.83 -0.00 0.00 -1.56 0.00 0.00 34.95 30.41 2iv9 s ARG 904 CO 0.00 0.19 -0.10 0.42 -0.81 0.00 0.00 175.30 175.00 2iv9 s ILE 905 N 0.47 2.96 -0.02 4.11 1.01 0.13 -2.20 121.20 127.66 2iv9 s ILE 905 Ca -0.06 -0.65 0.04 0.00 0.00 0.00 0.00 60.65 59.99 2iv9 s ILE 905 Cb -0.15 -2.30 -0.03 0.00 0.01 0.00 0.00 42.46 39.99 2iv9 s ILE 905 CO 0.03 0.47 -0.13 -1.10 0.00 0.00 0.00 174.94 174.21 2iv9 s GLN 906 N 1.19 2.42 0.16 2.79 -0.21 -1.26 -1.70 119.66 123.05 2iv9 s GLN 906 Ca 0.02 -0.76 -0.21 0.00 0.02 0.00 0.00 55.36 54.43 2iv9 s GLN 906 Cb -0.14 -2.36 -0.08 0.00 1.00 0.00 0.00 33.01 31.43 2iv9 s GLN 906 CO -0.04 0.60 0.68 -1.25 -2.12 0.00 0.00 175.29 173.17 2iv9 s PRO 907 N -1.02 4.30 0.00 2.91 0.04 -1.26 -3.07 135.00 136.91 2iv9 s PRO 907 Ca 0.13 0.88 0.00 0.00 0.04 0.00 0.00 61.00 62.05 2iv9 s PRO 907 Cb -0.11 -3.09 0.00 0.00 0.04 0.00 0.00 34.50 31.35 2iv9 s PRO 907 CO 0.03 0.52 0.00 0.41 0.04 0.00 0.00 177.00 178.00 2iv9 n GLY 908 N 1.24 0.96 3.22 0.56 0.00 -1.26 -5.00 105.19 104.90 2iv9 n GLY 908 Ca -0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.60 2iv9 n GLY 908 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2iv9 s ASN 909 N -3.00 5.03 0.00 1.61 2.47 -1.17 -4.97 114.94 114.90 2iv9 s ASN 909 Ca 0.00 -1.19 0.00 0.00 0.42 0.00 0.00 52.86 52.09 2iv9 s ASN 909 Cb 0.00 -1.77 0.00 0.00 -1.45 0.00 0.00 41.25 38.03 2iv9 s ASN 909 CO 0.00 -0.28 0.76 -0.81 -3.72 0.00 0.00 177.10 173.05 2iv9 n PRO 910 N 4.70 0.84 -3.80 0.43 -0.04 -1.26 -4.73 135.00 131.14 2iv9 n PRO 910 Ca -0.13 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.20 2iv9 n PRO 910 Cb 0.44 -1.08 -0.13 0.00 -0.04 0.00 0.00 33.50 32.69 2iv9 n PRO 910 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2iv9 s ASN 911 N -0.96 -0.18 0.10 3.54 2.20 -1.26 0.01 114.94 118.38 2iv9 s ASN 911 Ca 0.00 0.36 0.03 0.00 -0.94 0.00 0.00 52.86 52.31 2iv9 s ASN 911 Cb 0.00 0.35 -0.04 0.00 -2.00 0.00 0.00 41.25 39.56 2iv9 s ASN 911 CO 0.00 -0.07 0.13 -0.31 -2.94 0.00 0.00 177.10 173.90 2iv9 s TYR 912 N 0.25 3.27 -0.31 1.54 2.02 0.97 -4.61 117.35 120.48 2iv9 s TYR 912 Ca -0.01 0.10 -0.13 0.00 -0.37 0.00 0.00 57.07 56.65 2iv9 s TYR 912 Cb -0.03 -1.63 -0.03 0.00 -0.40 0.00 0.00 41.96 39.87 2iv9 s TYR 912 CO -0.01 0.53 0.28 0.99 -1.57 0.00 0.00 175.55 175.78 2iv9 s THR 913 N -1.50 5.24 -0.31 -0.71 2.01 -0.93 -0.51 115.64 118.93 2iv9 s THR 913 Ca 0.31 0.11 -0.11 0.00 0.31 0.00 0.00 61.69 62.32 2iv9 s THR 913 Cb -0.12 -3.69 -0.02 0.00 0.01 0.00 0.00 72.50 68.69 2iv9 s THR 913 CO 0.24 0.07 0.18 -0.22 -0.69 0.00 0.00 174.62 174.20 2iv9 s LEU 914 N 1.88 4.20 -0.21 4.42 2.96 0.51 -1.37 118.68 131.06 2iv9 s LEU 914 Ca 0.10 -0.41 -0.04 0.00 -0.22 0.00 0.00 54.13 53.55 2iv9 s LEU 914 Cb -0.16 -2.06 -0.01 0.00 0.50 0.00 0.00 46.19 44.45 2iv9 s LEU 914 CO 0.11 -0.18 -0.03 -0.44 -1.32 0.00 0.00 176.35 174.49 2iv9 s SER 915 N 1.67 4.45 -0.09 3.68 0.01 -0.36 0.27 113.70 123.34 2iv9 s SER 915 Ca 0.05 -0.34 0.03 0.00 1.31 0.00 0.00 55.95 57.00 2iv9 s SER 915 Cb -0.17 -1.76 -0.02 0.00 0.21 0.00 0.00 66.02 64.28 2iv9 s SER 915 CO 0.08 0.00 -0.17 -0.76 0.41 0.00 0.00 173.24 172.80 2iv9 s LEU 916 N 1.34 2.52 -0.08 2.44 1.43 0.21 -1.31 118.68 125.23 2iv9 s LEU 916 Ca 0.04 -0.35 0.04 0.00 -1.03 0.00 0.00 54.13 52.83 2iv9 s LEU 916 Cb -0.14 -1.52 0.00 0.00 0.03 0.00 0.00 46.19 44.56 2iv9 s LEU 916 CO -0.01 0.24 -0.21 -0.54 0.23 0.00 0.00 176.35 176.06 2iv9 s LYS 917 N -0.10 2.61 -0.21 1.70 1.02 -0.43 -1.13 119.74 123.20 2iv9 s LYS 917 Ca -0.03 -0.76 -0.15 0.00 0.02 0.00 0.00 55.97 55.05 2iv9 s LYS 917 Cb -0.14 -2.03 0.06 0.00 -0.52 0.00 0.00 37.83 35.20 2iv9 s LYS 917 CO 0.04 0.17 0.53 0.00 -0.92 0.00 0.00 175.35 175.17 2iv9 n ARG 919 N 3.69 0.13 -3.63 0.00 1.74 -1.26 -3.04 116.66 114.28 2iv9 n ARG 919 Ca -0.19 0.54 -0.28 0.00 -0.77 0.00 0.00 57.85 57.15 2iv9 n ARG 919 Cb 0.57 -1.84 -0.10 0.00 -1.02 0.00 0.00 32.46 30.06 2iv9 n ARG 919 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2iv9 n ALA 920 N -1.72 3.80 0.27 7.54 0.00 -1.26 -4.98 120.51 124.15 2iv9 n ALA 920 Ca 0.00 -4.67 0.14 0.00 0.00 0.00 0.00 53.44 48.91 2iv9 n ALA 920 Cb 0.09 -0.99 0.71 0.00 0.00 0.00 0.00 19.45 19.26 2iv9 n ALA 920 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2iv9 h PRO 921 N 4.75 0.00 -0.01 0.00 0.13 -1.86 -2.08 132.00 132.92 2iv9 h PRO 921 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 2iv9 h PRO 921 Cb 0.70 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.83 2iv9 h PRO 921 CO 0.79 0.00 0.02 1.05 -0.23 0.00 0.00 178.00 179.63 2iv9 h GLU 922 N 0.00 0.00 0.00 0.86 9.09 -1.94 -1.62 114.58 120.98 2iv9 h GLU 922 Ca 0.00 0.00 -0.04 0.00 0.05 0.00 0.00 59.36 59.37 2iv9 h GLU 922 Cb 0.14 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.23 2iv9 h GLU 922 CO 0.00 0.00 -0.20 -0.39 0.05 0.00 0.00 179.01 178.47 2iv9 h VAL 923 N 0.00 0.39 -0.37 -1.06 -1.51 -1.80 -3.39 116.25 108.51 2iv9 h VAL 923 Ca 0.01 -1.34 0.07 0.00 -1.23 0.00 0.00 66.70 64.20 2iv9 h VAL 923 Cb 0.04 2.02 -0.07 0.00 -2.13 0.00 0.00 31.29 31.16 2iv9 h VAL 923 CO -0.00 0.20 -0.06 0.28 -1.23 0.00 0.00 177.57 176.76 2iv9 h SER 924 N 0.00 -0.27 -0.51 4.19 0.02 -1.50 -1.02 113.55 114.47 2iv9 h SER 924 Ca -0.00 0.10 0.03 0.00 -0.84 0.00 0.00 61.79 61.08 2iv9 h SER 924 Cb 1.01 0.20 -0.03 0.00 0.14 0.00 0.00 62.40 63.72 2iv9 h SER 924 CO 0.03 -0.09 0.34 0.06 -1.14 0.00 0.00 176.83 176.03 2iv9 h GLN 925 N 0.04 0.57 -0.08 3.45 3.07 -1.78 -0.27 115.11 120.10 2iv9 h GLN 925 Ca 0.18 -0.03 -0.16 0.00 0.09 0.00 0.00 58.65 58.73 2iv9 h GLN 925 Cb 0.26 -0.13 -0.01 0.00 0.08 0.00 0.00 27.48 27.69 2iv9 h GLN 925 CO -0.35 0.38 -0.64 1.88 0.09 0.00 0.00 178.83 180.19 2iv9 h TYR 926 N 0.58 0.41 -0.48 0.06 0.05 -1.48 -2.34 116.97 113.77 2iv9 h TYR 926 Ca 0.20 -0.16 -0.05 0.00 0.05 0.00 0.00 58.73 58.77 2iv9 h TYR 926 Cb 0.09 -0.07 -0.02 0.00 1.01 0.00 0.00 36.73 37.74 2iv9 h TYR 926 CO -0.00 0.86 0.11 0.82 -1.05 0.00 0.00 178.16 178.90 2iv9 h ILE 927 N 0.23 1.24 -0.21 -2.88 1.08 -0.42 -2.70 117.51 113.84 2iv9 h ILE 927 Ca -0.01 -0.86 0.05 0.00 -0.39 0.00 0.00 64.86 63.65 2iv9 h ILE 927 Cb 1.17 0.88 -0.06 0.00 -3.07 0.00 0.00 36.82 35.74 2iv9 h ILE 927 CO 0.10 0.31 -0.15 0.22 -0.69 0.00 0.00 178.15 177.95 2iv9 h TYR 928 N 0.66 -0.36 -0.99 1.37 3.20 -0.93 -1.09 116.97 118.82 2iv9 h TYR 928 Ca 0.15 0.03 0.12 0.00 3.14 0.00 0.00 58.73 62.17 2iv9 h TYR 928 Cb 0.35 0.19 -0.08 0.00 1.54 0.00 0.00 36.73 38.73 2iv9 h TYR 928 CO 0.02 -0.21 0.63 1.96 -1.64 0.00 0.00 178.16 178.92 2iv9 h GLN 929 N -0.14 0.95 0.20 1.82 4.20 -1.30 -1.16 115.11 119.67 2iv9 h GLN 929 Ca 0.12 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.77 2iv9 h GLN 929 Cb 0.32 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 27.89 2iv9 h GLN 929 CO -0.30 0.63 -0.09 0.28 -0.67 0.00 0.00 178.83 178.67 2iv9 h VAL 930 N 0.97 0.87 -0.48 -0.54 2.07 -1.08 -1.47 116.25 116.59 2iv9 h VAL 930 Ca 0.49 -0.32 0.10 0.00 0.82 0.00 0.00 66.70 67.78 2iv9 h VAL 930 Cb 0.50 1.06 -0.10 0.00 -1.52 0.00 0.00 31.29 31.24 2iv9 h VAL 930 CO -0.26 0.07 -0.16 1.88 0.02 0.00 0.00 177.57 179.13 2iv9 h TYR 931 N -0.42 -0.37 -0.10 1.57 0.05 -0.70 0.24 116.97 117.22 2iv9 h TYR 931 Ca -0.03 0.05 0.03 0.00 0.05 0.00 0.00 58.73 58.83 2iv9 h TYR 931 Cb 0.33 0.24 -0.04 0.00 1.01 0.00 0.00 36.73 38.27 2iv9 h TYR 931 CO -0.02 -0.25 -0.11 0.22 -1.05 0.00 0.00 178.16 176.95 2iv9 h ASP 932 N -0.05 -0.35 -0.50 3.88 3.58 -1.13 -0.00 116.42 121.84 2iv9 h ASP 932 Ca 0.23 0.07 0.04 0.00 0.42 0.00 0.00 57.03 57.79 2iv9 h ASP 932 Cb 0.41 0.17 -0.04 0.00 1.72 0.00 0.00 39.33 41.59 2iv9 h ASP 932 CO -0.52 -0.15 0.27 0.28 -2.88 0.00 0.00 179.24 176.23 2iv9 h SER 933 N -0.14 0.40 -0.57 2.28 0.02 -0.80 -0.39 113.55 114.34 2iv9 h SER 933 Ca 0.08 0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.04 2iv9 h SER 933 Cb 0.26 -0.06 -0.03 0.00 0.14 0.00 0.00 62.40 62.71 2iv9 h SER 933 CO -0.19 0.28 0.31 0.40 -1.14 0.00 0.00 176.83 176.48 2iv9 h ILE 934 N 0.52 1.19 0.00 3.27 2.04 -0.44 -1.95 117.51 122.13 2iv9 h ILE 934 Ca 0.22 -0.48 0.00 0.00 1.00 0.00 0.00 64.86 65.60 2iv9 h ILE 934 Cb 0.10 0.47 0.00 0.00 -0.74 0.00 0.00 36.82 36.65 2iv9 h ILE 934 CO -0.14 0.20 -0.31 0.18 0.00 0.00 0.00 178.15 178.08 2iv9 n LEU 935 N -4.60 0.56 0.00 1.44 4.77 -0.06 -3.23 117.00 115.88 2iv9 n LEU 935 Ca 0.03 0.33 0.11 0.00 -0.03 0.00 0.00 56.01 56.45 2iv9 n LEU 935 Cb 0.09 -0.29 -0.03 0.00 -2.33 0.00 0.00 43.42 40.86 2iv9 n LEU 935 CO 0.37 -0.05 0.06 0.29 -1.33 0.00 0.00 177.39 176.73 2iv9 n LYS 936 N -1.92 0.03 0.00 3.23 5.02 -0.17 -4.92 118.16 119.42 2iv9 n LYS 936 Ca 0.05 -0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.34 2iv9 n LYS 936 Cb 0.40 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.90 2iv9 n LYS 936 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97