#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jit s ALA 698 N 0.00 3.40 0.09 0.62 0.00 -1.26 -4.94 121.76 119.67 2jit s ALA 698 Ca 0.00 0.89 -0.32 0.00 0.00 0.00 0.00 51.96 52.53 2jit s ALA 698 Cb 0.00 -3.34 -0.11 0.00 0.00 0.00 0.00 23.12 19.67 2jit s ALA 698 CO 0.00 -0.19 1.83 -0.35 0.00 0.00 0.00 175.76 177.05 2jit n PRO 699 N 1.60 2.64 -2.11 0.00 -0.04 -1.26 -4.84 135.00 130.98 2jit n PRO 699 Ca 0.00 0.96 -0.29 0.00 -0.04 0.00 0.00 63.50 64.14 2jit n PRO 699 Cb 0.45 -2.84 -0.05 0.00 -0.04 0.00 0.00 33.50 31.02 2jit n PRO 699 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 2jit s ASN 700 N 2.89 5.28 0.00 3.54 3.84 -1.26 -4.78 114.94 124.46 2jit s ASN 700 Ca 0.84 -1.03 0.00 0.00 0.21 0.00 0.00 52.86 52.88 2jit s ASN 700 Cb -0.53 -2.57 0.00 0.00 -0.55 0.00 0.00 41.25 37.60 2jit s ASN 700 CO 0.40 -2.67 0.55 0.00 -2.79 0.00 0.00 177.10 172.58 2jit n GLN 701 N 8.71 0.93 -1.51 0.43 6.02 -1.26 -4.91 117.38 125.78 2jit n GLN 701 Ca 0.41 0.00 -0.44 0.00 -0.01 0.00 0.00 57.00 56.96 2jit n GLN 701 Cb 0.47 -1.38 -0.01 0.00 1.02 0.00 0.00 30.24 30.34 2jit n GLN 701 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2jit n ALA 702 N -0.06 -1.18 -2.85 -1.58 0.00 -1.26 -4.96 120.51 108.62 2jit n ALA 702 Ca 0.00 0.32 -0.37 0.00 0.00 0.00 0.00 53.44 53.40 2jit n ALA 702 Cb 0.19 -1.86 -0.12 0.00 0.00 0.00 0.00 19.45 17.67 2jit n ALA 702 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2jit s LEU 703 N 1.37 3.71 -0.67 0.00 0.20 -1.26 -5.03 118.68 116.99 2jit s LEU 703 Ca 0.61 -0.10 -0.10 0.00 0.69 0.00 0.00 54.13 55.23 2jit s LEU 703 Cb -0.71 -2.01 0.17 0.00 -0.43 0.00 0.00 46.19 43.21 2jit s LEU 703 CO 0.58 -0.02 0.57 -0.22 -0.29 0.00 0.00 176.35 176.97 2jit s LEU 704 N 1.54 6.06 0.35 -0.68 2.96 -1.26 -4.92 118.68 122.73 2jit s LEU 704 Ca 0.06 -2.51 -0.26 0.00 -0.22 0.00 0.00 54.13 51.20 2jit s LEU 704 Cb -0.15 -2.07 -0.09 0.00 0.50 0.00 0.00 46.19 44.38 2jit s LEU 704 CO 0.06 -0.56 1.10 -0.60 -1.32 0.00 0.00 176.35 175.03 2jit s ARG 705 N 0.46 4.32 -0.17 1.98 3.52 -1.26 -4.95 118.95 122.84 2jit s ARG 705 Ca 0.14 1.71 -0.02 0.00 -0.13 0.00 0.00 55.73 57.43 2jit s ARG 705 Cb -0.18 -2.82 -0.01 0.00 -1.56 0.00 0.00 34.95 30.37 2jit s ARG 705 CO -0.05 -0.05 -0.09 0.42 -0.81 0.00 0.00 175.30 174.72 2jit s ILE 706 N -1.40 3.22 -0.03 4.11 -1.09 -1.26 -1.98 121.20 122.76 2jit s ILE 706 Ca 0.52 -0.58 0.06 0.00 -2.23 0.00 0.00 60.65 58.43 2jit s ILE 706 Cb -0.28 -2.40 -0.02 0.00 -1.58 0.00 0.00 42.46 38.17 2jit s ILE 706 CO 0.36 0.48 -0.22 -0.76 -1.23 0.00 0.00 174.94 173.57 2jit s LEU 707 N 0.83 2.29 0.36 2.97 1.43 -0.04 -4.92 118.68 121.60 2jit s LEU 707 Ca -0.03 -0.38 -0.20 0.00 -1.03 0.00 0.00 54.13 52.49 2jit s LEU 707 Cb -0.15 -1.42 -0.10 0.00 0.03 0.00 0.00 46.19 44.56 2jit s LEU 707 CO 0.01 0.32 0.87 -1.59 0.23 0.00 0.00 176.35 176.19 2jit s LYS 708 N -0.63 4.23 0.28 1.70 -2.85 -1.26 -4.09 119.74 117.11 2jit s LYS 708 Ca 0.10 1.00 0.01 0.00 -1.00 0.00 0.00 55.97 56.09 2jit s LYS 708 Cb -0.10 -2.42 0.61 0.00 -2.06 0.00 0.00 37.83 33.86 2jit s LYS 708 CO -0.00 0.11 1.76 1.49 0.10 0.00 0.00 175.35 178.81 2jit h GLU 709 N 2.36 0.61 -0.85 1.78 4.81 -1.98 0.19 114.58 121.50 2jit h GLU 709 Ca -0.48 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.71 2jit h GLU 709 Cb 1.18 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.42 2jit h GLU 709 CO 0.63 0.41 0.00 0.25 -0.73 0.00 0.00 179.01 179.57 2jit n THR 710 N -4.87 0.16 0.53 0.32 -2.24 -1.26 -2.45 114.28 104.47 2jit n THR 710 Ca 0.19 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 62.03 2jit n THR 710 Cb 0.50 -0.48 -0.06 0.00 -2.10 0.00 0.00 70.33 68.19 2jit n THR 710 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2jit n GLU 711 N 0.23 3.17 -3.93 -0.78 1.02 0.66 -4.96 120.64 116.05 2jit n GLU 711 Ca 0.00 -0.06 -0.10 0.00 -0.02 0.00 0.00 57.16 56.98 2jit n GLU 711 Cb 0.23 -1.04 -0.10 0.00 -0.02 0.00 0.00 31.44 30.51 2jit n GLU 711 CO 0.00 0.00 0.00 -0.59 1.18 0.00 0.00 177.13 177.72 2jit s PHE 712 N -2.00 0.18 -0.06 -0.32 -0.12 -1.03 0.11 117.98 114.74 2jit s PHE 712 Ca 0.05 -0.40 0.06 0.00 -0.05 0.00 0.00 56.93 56.59 2jit s PHE 712 Cb 0.09 -0.14 -0.01 0.00 -0.63 0.00 0.00 43.02 42.33 2jit s PHE 712 CO 0.44 -0.27 -0.24 -1.59 -0.05 0.00 0.00 175.22 173.51 2jit s LYS 713 N -1.77 2.54 -0.60 1.99 -2.85 -0.73 -4.96 119.74 113.37 2jit s LYS 713 Ca -0.12 -0.89 -0.26 0.00 -1.00 0.00 0.00 55.97 53.69 2jit s LYS 713 Cb -0.07 -2.18 0.04 0.00 -2.06 0.00 0.00 37.83 33.56 2jit s LYS 713 CO -0.01 0.40 1.10 0.15 0.10 0.00 0.00 175.35 177.09 2jit s LYS 714 N -0.20 3.38 -0.04 1.78 1.02 -1.26 -1.77 119.74 122.64 2jit s LYS 714 Ca -0.02 -0.08 -0.25 0.00 0.02 0.00 0.00 55.97 55.64 2jit s LYS 714 Cb -0.13 -4.07 -0.20 0.00 -0.52 0.00 0.00 37.83 32.91 2jit s LYS 714 CO 0.03 -1.69 1.14 0.82 -0.92 0.00 0.00 175.35 174.74 2jit h ILE 715 N 6.08 1.30 -2.75 2.17 2.04 0.45 -3.48 117.51 123.32 2jit h ILE 715 Ca -0.26 -1.24 0.10 0.00 1.00 0.00 0.00 64.86 64.46 2jit h ILE 715 Cb 1.06 2.10 -0.06 0.00 -0.74 0.00 0.00 36.82 39.19 2jit h ILE 715 CO 1.16 0.31 0.34 -1.59 0.00 0.00 0.00 178.15 178.37 2jit s LYS 716 N -3.91 1.60 -0.09 2.37 -2.85 -0.53 -4.97 119.74 111.36 2jit s LYS 716 Ca -0.16 -0.91 -0.22 0.00 -1.00 0.00 0.00 55.97 53.69 2jit s LYS 716 Cb 0.01 0.53 -0.04 0.00 -2.06 0.00 0.00 37.83 36.27 2jit s LYS 716 CO 0.63 -0.74 0.65 0.08 0.10 0.00 0.00 175.35 176.08 2jit s VAL 717 N -3.50 5.07 -0.14 1.79 1.01 -1.26 0.24 120.40 123.60 2jit s VAL 717 Ca 0.12 1.32 -0.00 0.00 0.00 0.00 0.00 61.98 63.42 2jit s VAL 717 Cb -0.04 -3.99 -0.24 0.00 0.00 0.00 0.00 36.38 32.12 2jit s VAL 717 CO 0.06 0.25 0.26 0.18 0.00 0.00 0.00 175.10 175.85 2jit n LEU 718 N 3.91 2.27 -3.56 3.92 4.77 0.12 -4.90 117.00 123.52 2jit n LEU 718 Ca -0.02 0.15 -0.12 0.00 -0.03 0.00 0.00 56.01 55.98 2jit n LEU 718 Cb 0.51 -0.76 -0.05 0.00 -2.33 0.00 0.00 43.42 40.78 2jit n LEU 718 CO 0.46 0.78 0.69 -0.83 -1.33 0.00 0.00 177.39 177.16 2jit s GLY 719 N -5.71 -0.34 0.04 -0.72 0.00 -1.08 -5.00 107.32 94.51 2jit s GLY 719 Ca -0.22 1.86 0.00 0.00 0.00 0.00 0.00 44.72 46.37 2jit s GLY 719 CO 0.74 1.02 -0.05 -0.45 0.00 0.00 0.00 173.10 174.36 2jit s SER 720 N -1.12 0.58 0.00 1.64 0.15 -1.26 0.66 113.70 114.34 2jit s SER 720 Ca -0.04 -0.71 0.00 0.00 0.70 0.00 0.00 55.95 55.90 2jit s SER 720 Cb -0.00 0.11 0.00 0.00 -1.71 0.00 0.00 66.02 64.42 2jit s SER 720 CO 0.04 -0.38 0.00 0.61 1.20 0.00 0.00 173.24 174.71 2jit n GLY 721 N 0.94 2.42 0.08 9.45 0.00 0.77 -4.93 105.19 113.92 2jit n GLY 721 Ca -0.19 -0.87 -0.13 0.00 0.00 0.00 0.00 46.02 44.83 2jit n GLY 721 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jit h ALA 722 N 2.00 -0.10 -0.27 4.61 0.00 -2.02 -3.20 119.26 120.28 2jit h ALA 722 Ca 0.00 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.91 2jit h ALA 722 Cb 0.00 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.78 2jit h ALA 722 CO 0.00 -0.55 -0.31 0.27 0.00 0.00 0.00 179.25 178.66 2jit h PHE 723 N -0.12 -0.97 0.00 0.00 -0.00 -1.97 -3.45 116.94 110.42 2jit h PHE 723 Ca -0.01 0.05 0.00 0.00 -0.00 0.00 0.00 57.97 58.01 2jit h PHE 723 Cb 0.10 0.46 0.00 0.00 -0.00 0.00 0.00 35.95 36.51 2jit h PHE 723 CO -0.07 -0.26 0.00 0.41 -0.00 0.00 0.00 178.31 178.39 2jit n GLY 724 N -1.20 1.04 2.83 6.09 0.00 -1.21 -3.04 105.19 109.70 2jit n GLY 724 Ca -0.02 -0.08 -0.14 0.00 0.00 0.00 0.00 46.02 45.78 2jit n GLY 724 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2jit s THR 725 N 0.02 -0.03 -0.45 2.61 -1.32 -0.72 -0.16 115.64 115.58 2jit s THR 725 Ca 0.00 0.13 -0.16 0.00 -1.21 0.00 0.00 61.69 60.45 2jit s THR 725 Cb 0.00 -0.08 0.04 0.00 -1.51 0.00 0.00 72.50 70.96 2jit s THR 725 CO 0.00 0.05 0.40 -0.69 -2.21 0.00 0.00 174.62 172.18 2jit s VAL 726 N 0.66 5.17 0.64 5.08 1.01 0.21 -2.41 120.40 130.76 2jit s VAL 726 Ca -0.05 -0.72 -0.07 0.00 0.00 0.00 0.00 61.98 61.13 2jit s VAL 726 Cb -0.08 -4.07 0.02 0.00 0.00 0.00 0.00 36.38 32.25 2jit s VAL 726 CO -0.02 -0.49 0.97 -0.31 0.00 0.00 0.00 175.10 175.25 2jit s TYR 727 N 1.88 3.21 -0.05 5.22 2.02 0.60 0.11 117.35 130.33 2jit s TYR 727 Ca 0.07 0.70 0.03 0.00 -0.37 0.00 0.00 57.07 57.50 2jit s TYR 727 Cb -0.21 -2.91 0.01 0.00 -0.40 0.00 0.00 41.96 38.46 2jit s TYR 727 CO 0.10 -1.03 -0.12 0.21 -1.57 0.00 0.00 175.55 173.14 2jit s LYS 728 N -5.13 1.58 0.00 -0.62 2.36 0.14 -1.42 119.74 116.64 2jit s LYS 728 Ca 0.56 -0.43 0.00 0.00 -2.55 0.00 0.00 55.97 53.55 2jit s LYS 728 Cb -0.11 -1.34 0.00 0.00 -1.05 0.00 0.00 37.83 35.33 2jit s LYS 728 CO 0.47 0.08 0.00 0.41 1.55 0.00 0.00 175.35 177.86 2jit n GLY 729 N 3.61 2.70 3.16 5.54 0.00 -0.72 0.11 105.19 119.59 2jit n GLY 729 Ca -0.21 -0.95 -0.23 0.00 0.00 0.00 0.00 46.02 44.62 2jit n GLY 729 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jit s LEU 730 N 0.00 2.07 -0.26 0.99 1.43 -0.73 -0.67 118.68 121.52 2jit s LEU 730 Ca 0.00 -0.35 -0.12 0.00 -1.03 0.00 0.00 54.13 52.63 2jit s LEU 730 Cb 0.00 -0.81 -0.05 0.00 0.03 0.00 0.00 46.19 45.36 2jit s LEU 730 CO 0.00 0.17 0.23 0.86 0.23 0.00 0.00 176.35 177.84 2jit s TRP 731 N -0.51 3.26 -0.34 0.29 -0.00 0.14 -1.77 118.94 120.01 2jit s TRP 731 Ca 0.06 0.23 -0.04 0.00 -0.00 0.00 0.00 56.10 56.35 2jit s TRP 731 Cb -0.07 -2.40 0.06 0.00 -0.00 0.00 0.00 33.47 31.07 2jit s TRP 731 CO 0.00 -0.10 0.09 0.42 -0.00 0.00 0.00 176.95 177.36 2jit s ILE 732 N 1.60 3.33 -0.31 5.86 1.09 0.30 -2.01 121.20 131.06 2jit s ILE 732 Ca 0.09 -1.49 -0.29 0.00 -1.10 0.00 0.00 60.65 57.86 2jit s ILE 732 Cb -0.15 -3.01 0.01 0.00 -1.06 0.00 0.00 42.46 38.25 2jit s ILE 732 CO 0.09 -0.29 1.15 -2.84 -0.10 0.00 0.00 174.94 172.94 2jit s PRO 733 N 1.27 4.03 0.06 2.79 0.02 -1.26 -4.61 135.00 137.30 2jit s PRO 733 Ca -0.00 1.14 -0.33 0.00 0.02 0.00 0.00 61.00 61.82 2jit s PRO 733 Cb -0.21 -3.78 -0.17 0.00 0.02 0.00 0.00 34.50 30.36 2jit s PRO 733 CO -0.01 -0.96 0.81 0.39 -0.33 0.00 0.00 177.00 176.90 2jit n GLU 734 N 7.00 0.00 0.00 5.54 4.71 -1.26 -1.05 120.64 135.58 2jit n GLU 734 Ca 0.13 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.28 2jit n GLU 734 Cb 0.47 -1.23 0.00 0.00 -1.01 0.00 0.00 31.44 29.67 2jit n GLU 734 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2jit n GLY 735 N 1.54 1.83 0.25 0.62 0.00 -1.26 -4.80 105.19 103.37 2jit n GLY 735 Ca 0.18 -0.14 0.19 0.00 0.00 0.00 0.00 46.02 46.25 2jit n GLY 735 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2jit n GLU 736 N 0.00 -0.00 -3.24 1.61 -0.58 -0.21 -4.66 120.64 113.56 2jit n GLU 736 Ca 0.00 0.42 -0.16 0.00 -0.42 0.00 0.00 57.16 57.00 2jit n GLU 736 Cb 0.00 -0.94 0.06 0.00 -0.57 0.00 0.00 31.44 29.99 2jit n GLU 736 CO 0.00 0.00 0.00 0.36 -0.48 0.00 0.00 177.13 177.01 2jit n LYS 737 N -2.87 -5.46 -3.83 3.49 2.85 -1.26 -5.02 118.16 106.06 2jit n LYS 737 Ca 0.16 0.57 -0.12 0.00 -1.05 0.00 0.00 58.31 57.88 2jit n LYS 737 Cb 0.73 -4.84 -0.10 0.00 -0.65 0.00 0.00 35.03 30.17 2jit n LYS 737 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 2jit s VAL 738 N -3.22 0.05 -0.05 0.58 0.11 -1.26 -5.09 120.40 111.52 2jit s VAL 738 Ca 0.38 -0.44 0.06 0.00 -2.93 0.00 0.00 61.98 59.05 2jit s VAL 738 Cb -0.17 -0.44 -0.01 0.00 -1.53 0.00 0.00 36.38 34.23 2jit s VAL 738 CO 0.50 -0.24 -0.25 -1.59 -3.33 0.00 0.00 175.10 170.19 2jit s LYS 739 N -0.93 2.45 -0.08 1.54 -2.85 -1.26 -4.30 119.74 114.32 2jit s LYS 739 Ca -0.10 -0.91 0.02 0.00 -1.00 0.00 0.00 55.97 53.98 2jit s LYS 739 Cb -0.05 -2.14 0.01 0.00 -2.06 0.00 0.00 37.83 33.59 2jit s LYS 739 CO 0.02 0.42 -0.14 0.42 0.10 0.00 0.00 175.35 176.17 2jit s ILE 740 N -0.27 1.29 -0.01 3.79 1.01 -0.85 -1.88 121.20 124.27 2jit s ILE 740 Ca -0.00 -0.56 -0.30 0.00 0.00 0.00 0.00 60.65 59.78 2jit s ILE 740 Cb -0.13 -1.17 -0.04 0.00 0.01 0.00 0.00 42.46 41.13 2jit s ILE 740 CO 0.03 0.39 1.10 -2.16 0.00 0.00 0.00 174.94 174.30 2jit s PRO 741 N 0.70 4.45 0.27 2.79 0.04 -1.26 0.25 135.00 142.24 2jit s PRO 741 Ca -0.14 1.58 0.01 0.00 0.04 0.00 0.00 61.00 62.50 2jit s PRO 741 Cb -0.16 -3.46 -0.05 0.00 0.04 0.00 0.00 34.50 30.87 2jit s PRO 741 CO 0.03 -0.25 0.10 0.14 0.04 0.00 0.00 177.00 177.07 2jit s VAL 742 N 1.47 0.54 -0.04 -0.36 -7.23 0.16 -0.74 120.40 114.21 2jit s VAL 742 Ca 0.54 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.78 2jit s VAL 742 Cb -0.24 -2.62 -0.01 0.00 0.56 0.00 0.00 36.38 34.06 2jit s VAL 742 CO 0.25 0.00 -0.23 0.00 -0.31 0.00 0.00 175.10 174.82 2jit s ALA 743 N -3.73 1.93 -0.03 1.32 0.00 0.11 -1.75 121.76 119.61 2jit s ALA 743 Ca 0.37 -0.95 0.04 0.00 0.00 0.00 0.00 51.96 51.42 2jit s ALA 743 Cb 0.07 -0.56 -0.03 0.00 0.00 0.00 0.00 23.12 22.61 2jit s ALA 743 CO 0.14 0.41 -0.14 0.42 0.00 0.00 0.00 175.76 176.60 2jit s ILE 744 N -0.29 3.09 -0.12 0.00 1.09 -0.51 -0.30 121.20 124.16 2jit s ILE 744 Ca 0.02 -0.79 0.01 0.00 -1.10 0.00 0.00 60.65 58.79 2jit s ILE 744 Cb -0.11 -2.24 0.02 0.00 -1.06 0.00 0.00 42.46 39.07 2jit s ILE 744 CO 0.01 0.54 -0.14 -0.75 -0.10 0.00 0.00 174.94 174.50 2jit s LYS 745 N -0.90 2.12 0.07 2.79 2.20 0.22 -0.29 119.74 125.95 2jit s LYS 745 Ca 0.12 -0.51 0.05 0.00 -0.36 0.00 0.00 55.97 55.28 2jit s LYS 745 Cb -0.11 -1.91 -0.03 0.00 -1.51 0.00 0.00 37.83 34.28 2jit s LYS 745 CO 0.02 -0.16 -0.15 -1.83 -0.36 0.00 0.00 175.35 172.87 2jit s GLU 746 N 1.27 0.85 0.81 4.03 -1.05 -1.01 -1.00 118.70 122.60 2jit s GLU 746 Ca -0.01 -0.97 -0.11 0.00 -0.15 0.00 0.00 54.97 53.73 2jit s GLU 746 Cb -0.14 -0.88 0.08 0.00 -0.44 0.00 0.00 34.13 32.75 2jit s GLU 746 CO -0.06 0.20 1.09 -0.51 0.95 0.00 0.00 175.26 176.93 2jit s LEU 747 N -1.74 2.60 -0.51 1.83 1.02 -1.23 -1.75 118.68 118.89 2jit s LEU 747 Ca -0.01 1.45 0.02 0.00 0.02 0.00 0.00 54.13 55.61 2jit s LEU 747 Cb -0.10 -4.04 0.48 0.00 0.02 0.00 0.00 46.19 42.55 2jit s LEU 747 CO 0.02 -2.13 1.75 -2.11 0.02 0.00 0.00 176.35 173.90 2jit n ARG 748 N -3.55 2.83 0.11 1.70 1.85 -1.17 -4.67 116.66 113.76 2jit n ARG 748 Ca 0.07 -3.50 0.00 0.00 -1.00 0.00 0.00 57.85 53.42 2jit n ARG 748 Cb 0.55 -2.24 0.00 0.00 -1.05 0.00 0.00 32.46 29.73 2jit n ARG 748 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 2jit n GLU 749 N -0.90 0.00 -0.92 2.89 -0.58 -1.26 -5.04 120.64 114.83 2jit n GLU 749 Ca 0.55 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 57.29 2jit n GLU 749 Cb 0.87 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.74 2jit n GLU 749 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2jit n ALA 750 N -3.06 0.00 -2.75 0.62 0.00 -1.26 -4.81 120.51 109.25 2jit n ALA 750 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 2jit n ALA 750 Cb 0.00 -0.47 0.07 0.00 0.00 0.00 0.00 19.45 19.05 2jit n ALA 750 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2jit n THR 751 N -2.36 0.77 -3.80 0.00 -2.24 -1.26 -4.79 114.28 100.60 2jit n THR 751 Ca 0.00 -2.13 -0.30 0.00 -2.27 0.00 0.00 64.05 59.35 2jit n THR 751 Cb 0.10 1.17 -0.15 0.00 -2.10 0.00 0.00 70.33 69.36 2jit n THR 751 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2jit s SER 752 N -2.78 4.18 0.49 3.42 0.15 -1.26 -4.96 113.70 112.94 2jit s SER 752 Ca 0.21 -1.85 0.39 0.00 0.70 0.00 0.00 55.95 55.41 2jit s SER 752 Cb 0.36 -1.06 1.59 0.00 -1.71 0.00 0.00 66.02 65.20 2jit s SER 752 CO -0.07 -0.39 1.58 -0.65 1.20 0.00 0.00 173.24 174.90 2jit h PRO 753 N 7.86 0.01 -0.26 5.44 0.11 -1.98 1.40 132.00 144.59 2jit h PRO 753 Ca -0.10 -0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.96 2jit h PRO 753 Cb 1.01 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.11 2jit h PRO 753 CO 0.49 0.01 -0.01 -0.22 -0.21 0.00 0.00 178.00 178.05 2jit h LYS 754 N 0.01 0.46 0.29 1.05 3.11 -2.00 -2.01 116.57 117.48 2jit h LYS 754 Ca 0.90 -0.16 -0.01 0.00 -2.81 0.00 0.00 60.65 58.57 2jit h LYS 754 Cb 3.18 -0.04 0.00 0.00 -1.00 0.00 0.00 32.23 34.38 2jit h LYS 754 CO -0.28 0.64 -0.14 0.00 -2.81 0.00 0.00 179.45 176.86 2jit h ALA 755 N 0.80 -0.39 -0.94 5.00 0.00 0.14 -3.05 119.26 120.82 2jit h ALA 755 Ca 0.07 -0.19 0.23 0.00 0.00 0.00 0.00 54.91 55.01 2jit h ALA 755 Cb 0.44 0.15 -0.07 0.00 0.00 0.00 0.00 17.79 18.31 2jit h ALA 755 CO 0.02 -0.46 0.63 -0.91 0.00 0.00 0.00 179.25 178.52 2jit h ASN 756 N -0.89 0.36 -0.25 0.00 2.35 -1.09 0.15 115.58 116.21 2jit h ASN 756 Ca -0.04 0.04 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 2jit h ASN 756 Cb 0.51 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.85 2jit h ASN 756 CO 0.06 0.13 0.11 0.50 -1.65 0.00 0.00 177.43 176.58 2jit h LYS 757 N 0.35 0.36 0.04 0.81 3.64 -1.35 -2.58 116.57 117.84 2jit h LYS 757 Ca 0.49 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.81 2jit h LYS 757 Cb 1.33 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.08 2jit h LYS 757 CO -0.18 0.38 -0.02 0.93 -2.27 0.00 0.00 179.45 178.29 2jit h GLU 758 N 0.26 -0.05 -1.00 1.90 5.08 -0.67 -0.49 114.58 119.60 2jit h GLU 758 Ca 0.08 0.00 0.19 0.00 -1.00 0.00 0.00 59.36 58.64 2jit h GLU 758 Cb 0.14 0.01 -0.11 0.00 0.50 0.00 0.00 28.75 29.30 2jit h GLU 758 CO -0.01 0.23 0.61 0.82 -1.00 0.00 0.00 179.01 179.66 2jit h ILE 759 N -0.33 0.70 -0.08 3.13 1.08 -1.18 0.19 117.51 121.01 2jit h ILE 759 Ca -0.01 -0.26 -0.13 0.00 -0.39 0.00 0.00 64.86 64.08 2jit h ILE 759 Cb 0.31 -0.12 0.01 0.00 -3.07 0.00 0.00 36.82 33.94 2jit h ILE 759 CO 0.01 0.14 -0.46 -0.07 -0.69 0.00 0.00 178.15 177.08 2jit h LEU 760 N 0.75 0.54 -1.04 1.44 3.38 -1.28 -1.78 115.31 117.33 2jit h LEU 760 Ca 0.58 -0.66 0.16 0.00 0.09 0.00 0.00 57.88 58.05 2jit h LEU 760 Cb 0.92 -0.16 -0.09 0.00 0.09 0.00 0.00 40.66 41.41 2jit h LEU 760 CO -0.38 1.12 0.62 0.44 0.09 0.00 0.00 178.44 180.32 2jit h ASP 761 N 0.00 0.82 -0.46 -0.43 3.32 0.03 -1.03 116.42 118.67 2jit h ASP 761 Ca -0.04 0.07 -0.13 0.00 0.02 0.00 0.00 57.03 56.96 2jit h ASP 761 Cb 1.12 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.57 2jit h ASP 761 CO 0.09 0.36 -0.19 -0.08 -1.72 0.00 0.00 179.24 177.71 2jit h GLU 762 N 0.84 0.97 -0.65 3.56 4.81 -0.49 -1.27 114.58 122.36 2jit h GLU 762 Ca 0.54 -0.40 -0.07 0.00 -0.13 0.00 0.00 59.36 59.30 2jit h GLU 762 Cb 0.73 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 30.05 2jit h GLU 762 CO -0.32 1.07 0.11 0.00 -0.73 0.00 0.00 179.01 179.14 2jit h ALA 763 N 0.93 0.97 0.34 2.92 0.00 -0.41 0.94 119.26 124.94 2jit h ALA 763 Ca 0.12 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 2jit h ALA 763 Cb 0.76 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 2jit h ALA 763 CO 0.06 0.65 -0.21 -0.92 0.00 0.00 0.00 179.25 178.83 2jit h TYR 764 N 0.99 -0.54 -0.05 0.00 3.20 -0.80 0.13 116.97 119.90 2jit h TYR 764 Ca 0.20 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.10 2jit h TYR 764 Cb 0.42 0.19 -0.05 0.00 1.54 0.00 0.00 36.73 38.83 2jit h TYR 764 CO 0.03 -0.32 -0.28 0.28 -1.64 0.00 0.00 178.16 176.23 2jit h VAL 765 N -0.52 0.37 -0.84 1.81 2.07 -1.03 0.90 116.25 119.00 2jit h VAL 765 Ca -0.04 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.54 2jit h VAL 765 Cb 0.43 0.37 -0.06 0.00 -1.52 0.00 0.00 31.29 30.51 2jit h VAL 765 CO 0.04 0.00 0.52 0.24 0.02 0.00 0.00 177.57 178.39 2jit h MET 766 N -0.40 0.94 -0.17 1.57 2.86 -0.57 -0.80 114.93 118.37 2jit h MET 766 Ca 0.08 -0.06 -0.13 0.00 -2.06 0.00 0.00 59.70 57.53 2jit h MET 766 Cb 0.51 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 31.94 2jit h MET 766 CO -0.27 0.62 -0.45 0.00 1.06 0.00 0.00 176.91 177.87 2jit h ALA 767 N 1.38 0.90 0.00 6.32 0.00 -0.50 -2.40 119.26 124.97 2jit h ALA 767 Ca 0.36 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2jit h ALA 767 Cb 0.12 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2jit h ALA 767 CO -0.16 0.65 0.00 0.43 0.00 0.00 0.00 179.25 180.17 2jit n SER 768 N -4.00 0.00 -4.58 0.00 7.64 0.29 -4.54 113.62 108.43 2jit n SER 768 Ca -0.02 0.14 -0.43 0.00 1.01 0.00 0.00 58.87 59.57 2jit n SER 768 Cb 0.53 -0.35 -0.04 0.00 -1.01 0.00 0.00 64.21 63.34 2jit n SER 768 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2jit s VAL 769 N -2.71 4.43 -0.45 0.44 1.01 -0.80 -4.99 120.40 117.34 2jit s VAL 769 Ca 0.17 0.89 0.03 0.00 0.00 0.00 0.00 61.98 63.07 2jit s VAL 769 Cb 0.15 -4.46 0.12 0.00 0.00 0.00 0.00 36.38 32.18 2jit s VAL 769 CO 0.35 -0.84 0.19 -0.62 0.00 0.00 0.00 175.10 174.18 2jit s ASP 770 N 2.27 4.66 -0.10 3.32 2.15 -1.26 -4.80 116.67 122.91 2jit s ASP 770 Ca 0.39 -2.58 -0.10 0.00 0.43 0.00 0.00 52.55 50.69 2jit s ASP 770 Cb -0.10 -1.67 0.03 0.00 -0.30 0.00 0.00 42.92 40.88 2jit s ASP 770 CO 0.27 -0.33 0.28 0.21 -0.17 0.00 0.00 175.17 175.42 2jit s ASN 771 N 0.45 -0.27 0.66 -0.34 3.84 -1.26 -5.02 114.94 112.99 2jit s ASN 771 Ca 0.14 0.50 0.38 0.00 0.21 0.00 0.00 52.86 54.09 2jit s ASN 771 Cb -0.22 0.54 2.06 0.00 -0.55 0.00 0.00 41.25 43.08 2jit s ASN 771 CO -0.04 -0.13 2.18 -0.65 -2.79 0.00 0.00 177.10 175.67 2jit h PRO 772 N 5.54 0.00 -0.12 0.43 0.11 -1.97 -3.07 132.00 132.92 2jit h PRO 772 Ca -0.26 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.79 2jit h PRO 772 Cb 1.19 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.27 2jit h PRO 772 CO 0.34 0.00 -0.25 0.72 -0.21 0.00 0.00 178.00 178.60 2jit n HIS 773 N -3.09 0.39 -3.74 0.65 8.25 -1.26 -4.71 115.22 111.70 2jit n HIS 773 Ca -0.02 -1.39 -0.12 0.00 -0.26 0.00 0.00 57.72 55.92 2jit n HIS 773 Cb 0.21 -0.31 -0.13 0.00 1.12 0.00 0.00 29.99 30.88 2jit n HIS 773 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2jit s VAL 774 N -3.15 -0.03 0.44 1.59 1.01 -1.16 -1.22 120.40 117.88 2jit s VAL 774 Ca 0.39 0.13 -0.25 0.00 0.00 0.00 0.00 61.98 62.25 2jit s VAL 774 Cb 0.36 -0.36 -0.09 0.00 0.00 0.00 0.00 36.38 36.29 2jit s VAL 774 CO -0.02 0.05 1.32 0.00 0.00 0.00 0.00 175.10 176.45 2jit s ARG 776 N -2.33 3.46 -0.48 0.00 1.70 -1.26 -4.69 118.95 115.35 2jit s ARG 776 Ca 0.62 -0.56 -0.29 0.00 -0.47 0.00 0.00 55.73 55.03 2jit s ARG 776 Cb -0.48 -2.89 0.03 0.00 -0.57 0.00 0.00 34.95 31.03 2jit s ARG 776 CO 0.57 0.44 1.19 -1.17 -1.08 0.00 0.00 175.30 175.24 2jit s LEU 777 N -3.55 3.60 0.00 -1.89 2.96 -1.26 -2.25 118.68 116.29 2jit s LEU 777 Ca 0.36 0.47 0.00 0.00 -0.22 0.00 0.00 54.13 54.74 2jit s LEU 777 Cb -0.10 -3.51 0.00 0.00 0.50 0.00 0.00 46.19 43.08 2jit s LEU 777 CO 0.29 -1.31 0.44 0.18 -1.32 0.00 0.00 176.35 174.63 2jit n LEU 778 N 8.07 0.94 0.00 -0.68 4.77 0.18 -4.87 117.00 125.42 2jit n LEU 778 Ca 0.12 -0.47 0.00 0.00 -0.03 0.00 0.00 56.01 55.63 2jit n LEU 778 Cb 0.49 -0.41 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 2jit n LEU 778 CO 0.72 0.22 0.00 0.61 -1.33 0.00 0.00 177.39 177.61 2jit n GLY 779 N 0.12 1.00 3.04 -0.72 0.00 -1.22 -4.84 105.19 102.57 2jit n GLY 779 Ca 0.00 -2.18 -0.09 0.00 0.00 0.00 0.00 46.02 43.75 2jit n GLY 779 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2jit s ILE 780 N -1.29 0.25 -0.16 -0.61 -4.36 -0.83 -1.04 121.20 113.15 2jit s ILE 780 Ca 0.00 -1.29 -0.01 0.00 -0.26 0.00 0.00 60.65 59.10 2jit s ILE 780 Cb 0.00 -0.80 -0.01 0.00 1.25 0.00 0.00 42.46 42.90 2jit s ILE 780 CO 0.00 -0.66 -0.12 0.00 0.24 0.00 0.00 174.94 174.39 2jit n LEU 782 N 4.11 7.39 -4.78 0.00 7.94 -1.26 -1.77 117.00 128.64 2jit n LEU 782 Ca -0.19 -4.70 -0.30 0.00 -1.11 0.00 0.00 56.01 49.71 2jit n LEU 782 Cb 0.52 -1.09 0.23 0.00 0.53 0.00 0.00 43.42 43.61 2jit n LEU 782 CO 0.29 1.74 0.77 0.42 -1.11 0.00 0.00 177.39 179.51 2jit s THR 783 N -4.66 1.78 0.38 1.96 -4.23 -1.26 -4.91 115.64 104.70 2jit s THR 783 Ca 0.53 0.00 0.17 0.00 -1.18 0.00 0.00 61.69 61.22 2jit s THR 783 Cb 0.43 -2.77 0.38 0.00 1.34 0.00 0.00 72.50 71.88 2jit s THR 783 CO -0.38 0.00 1.75 0.77 -0.54 0.00 0.00 174.62 176.23 2jit h SER 784 N -2.20 0.48 -3.65 3.99 4.64 -1.95 -3.23 113.55 111.62 2jit h SER 784 Ca -0.43 0.10 -0.67 0.00 -0.47 0.00 0.00 61.79 60.31 2jit h SER 784 Cb 1.24 0.03 -0.38 0.00 -0.31 0.00 0.00 62.40 62.98 2jit h SER 784 CO 0.30 0.07 -0.68 -0.89 -0.87 0.00 0.00 176.83 174.76 2jit s THR 785 N -5.53 2.59 0.34 2.95 2.01 -1.26 -4.59 115.64 112.15 2jit s THR 785 Ca -0.09 -2.15 -0.27 0.00 0.31 0.00 0.00 61.69 59.48 2jit s THR 785 Cb 0.26 -2.81 -0.12 0.00 0.01 0.00 0.00 72.50 69.83 2jit s THR 785 CO 0.80 -0.55 1.17 0.52 -0.69 0.00 0.00 174.62 175.86 2jit n VAL 786 N 4.38 2.09 -4.04 3.82 0.31 -1.22 -4.76 118.33 118.91 2jit n VAL 786 Ca -0.00 -0.50 -0.19 0.00 -0.01 0.00 0.00 64.34 63.64 2jit n VAL 786 Cb 0.42 -1.34 -0.16 0.00 -0.91 0.00 0.00 33.84 31.85 2jit n VAL 786 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2jit s GLN 787 N -1.82 0.57 -0.02 5.55 -2.07 -0.73 -3.56 119.66 117.58 2jit s GLN 787 Ca 0.58 -0.01 -0.11 0.00 -1.82 0.00 0.00 55.36 53.99 2jit s GLN 787 Cb -0.60 -0.67 -0.05 0.00 -1.09 0.00 0.00 33.01 30.60 2jit s GLN 787 CO 0.61 -0.11 0.33 -0.51 -1.32 0.00 0.00 175.29 174.28 2jit s LEU 788 N 0.98 4.43 -0.26 2.60 1.43 -0.17 -0.53 118.68 127.16 2jit s LEU 788 Ca -0.10 0.77 -0.01 0.00 -1.03 0.00 0.00 54.13 53.76 2jit s LEU 788 Cb -0.14 -2.52 0.03 0.00 0.03 0.00 0.00 46.19 43.59 2jit s LEU 788 CO -0.01 0.32 -0.06 -0.63 0.23 0.00 0.00 176.35 176.20 2jit s ILE 789 N -1.13 2.77 -0.10 -0.59 1.09 -0.21 -0.61 121.20 122.41 2jit s ILE 789 Ca 0.23 -1.17 -0.04 0.00 -1.10 0.00 0.00 60.65 58.57 2jit s ILE 789 Cb -0.15 -2.46 -0.04 0.00 -1.06 0.00 0.00 42.46 38.75 2jit s ILE 789 CO 0.12 0.12 0.07 -0.32 -0.10 0.00 0.00 174.94 174.83 2jit s MET 790 N 1.28 3.20 0.81 2.79 1.75 0.59 0.52 119.30 130.24 2jit s MET 790 Ca -0.02 -0.28 -0.12 0.00 -1.25 0.00 0.00 55.69 54.03 2jit s MET 790 Cb -0.18 -2.98 0.09 0.00 2.84 0.00 0.00 34.83 34.60 2jit s MET 790 CO -0.04 0.74 1.15 1.14 -0.65 0.00 0.00 175.02 177.36 2jit s GLN 791 N -0.95 1.72 0.06 4.11 -2.07 -0.95 0.04 119.66 121.61 2jit s GLN 791 Ca 0.14 1.52 0.02 0.00 -1.82 0.00 0.00 55.36 55.22 2jit s GLN 791 Cb -0.12 -1.81 -0.03 0.00 -1.09 0.00 0.00 33.01 29.97 2jit s GLN 791 CO 0.03 -2.10 -0.08 -0.51 -1.32 0.00 0.00 175.29 171.31 2jit s LEU 792 N -5.93 2.33 0.46 2.60 1.43 0.08 -4.59 118.68 115.05 2jit s LEU 792 Ca 0.68 -0.68 -0.06 0.00 -1.03 0.00 0.00 54.13 53.03 2jit s LEU 792 Cb -0.23 -0.15 -0.04 0.00 0.03 0.00 0.00 46.19 45.80 2jit s LEU 792 CO 0.53 -0.28 0.77 -0.04 0.23 0.00 0.00 176.35 177.57 2jit s MET 793 N -2.23 3.59 0.40 1.70 -1.94 -1.26 -4.45 119.30 115.11 2jit s MET 793 Ca -0.03 0.25 0.15 0.00 -1.71 0.00 0.00 55.69 54.34 2jit s MET 793 Cb -0.06 -2.39 0.85 0.00 2.01 0.00 0.00 34.83 35.24 2jit s MET 793 CO -0.01 -0.15 1.88 -1.00 -0.01 0.00 0.00 175.02 175.72 2jit h PRO 794 N 0.49 0.00 -7.03 2.03 0.13 -1.83 -3.42 132.00 122.37 2jit h PRO 794 Ca -0.47 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.18 2jit h PRO 794 Cb 1.20 0.00 0.05 0.00 0.13 0.00 0.00 31.00 32.38 2jit h PRO 794 CO 0.62 0.31 0.13 -0.06 -0.23 0.00 0.00 178.00 178.77 2jit s PHE 795 N -4.22 3.29 0.00 1.56 0.08 -1.25 -3.85 117.98 113.58 2jit s PHE 795 Ca -0.03 0.61 0.00 0.00 0.12 0.00 0.00 56.93 57.63 2jit s PHE 795 Cb 0.14 -2.62 0.00 0.00 -0.57 0.00 0.00 43.02 39.97 2jit s PHE 795 CO 0.70 -0.68 0.00 0.41 -0.10 0.00 0.00 175.22 175.55 2jit n GLY 796 N -2.47 -0.98 3.93 4.36 0.00 -1.26 -4.39 105.19 104.38 2jit n GLY 796 Ca 0.04 -1.28 -0.28 0.00 0.00 0.00 0.00 46.02 44.49 2jit n GLY 796 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jit h LEU 798 N -1.18 0.48 0.09 0.00 6.46 -0.01 -2.66 115.31 118.50 2jit h LEU 798 Ca -0.44 -0.30 0.02 0.00 -0.12 0.00 0.00 57.88 57.04 2jit h LEU 798 Cb 1.28 -0.14 -0.03 0.00 -0.73 0.00 0.00 40.66 41.03 2jit h LEU 798 CO 0.49 1.03 -0.21 0.25 -0.62 0.00 0.00 178.44 179.38 2jit h LEU 799 N 0.29 -0.58 -1.03 2.25 5.85 -1.75 0.29 115.31 120.63 2jit h LEU 799 Ca -0.02 0.07 -0.10 0.00 0.84 0.00 0.00 57.88 58.67 2jit h LEU 799 Cb 1.25 0.22 -0.01 0.00 0.37 0.00 0.00 40.66 42.49 2jit h LEU 799 CO 0.12 -0.29 -0.46 0.44 -0.34 0.00 0.00 178.44 177.92 2jit h ASP 800 N -0.38 0.00 0.66 1.25 3.45 -1.88 -2.04 116.42 117.48 2jit h ASP 800 Ca 0.03 0.00 -0.03 0.00 0.43 0.00 0.00 57.03 57.46 2jit h ASP 800 Cb 0.41 0.00 0.01 0.00 -0.56 0.00 0.00 39.33 39.19 2jit h ASP 800 CO -0.13 0.46 -0.32 0.22 -1.57 0.00 0.00 179.24 177.90 2jit h TYR 801 N 0.00 -0.82 -0.77 4.55 3.20 -1.07 -0.53 116.97 121.53 2jit h TYR 801 Ca -0.00 -0.02 0.14 0.00 3.14 0.00 0.00 58.73 61.99 2jit h TYR 801 Cb 0.87 0.27 -0.05 0.00 1.54 0.00 0.00 36.73 39.35 2jit h TYR 801 CO 0.00 -0.51 0.51 -0.24 -1.64 0.00 0.00 178.16 176.28 2jit h VAL 802 N -1.08 0.82 -0.05 1.81 3.04 -0.41 0.21 116.25 120.58 2jit h VAL 802 Ca -0.09 -0.17 -0.01 0.00 -1.01 0.00 0.00 66.70 65.42 2jit h VAL 802 Cb 0.68 0.29 -0.00 0.00 -2.01 0.00 0.00 31.29 30.24 2jit h VAL 802 CO 0.15 0.09 -0.00 0.03 -1.01 0.00 0.00 177.57 176.83 2jit h ARG 803 N 0.49 0.09 -0.59 4.17 3.08 -1.24 -2.65 114.38 117.73 2jit h ARG 803 Ca 0.38 -0.03 -0.06 0.00 0.07 0.00 0.00 59.98 60.34 2jit h ARG 803 Cb 0.77 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.79 2jit h ARG 803 CO -0.13 0.38 0.15 0.93 -1.07 0.00 0.00 179.97 180.23 2jit h GLU 804 N -0.22 0.95 -0.94 0.04 5.08 -0.21 -3.29 114.58 115.99 2jit h GLU 804 Ca 0.01 -0.23 -0.61 0.00 -1.00 0.00 0.00 59.36 57.54 2jit h GLU 804 Cb 0.34 -0.13 -0.30 0.00 0.50 0.00 0.00 28.75 29.17 2jit h GLU 804 CO 0.00 0.87 0.61 0.72 -1.00 0.00 0.00 179.01 180.21 2jit n HIS 805 N -4.37 3.04 -0.61 4.33 8.25 0.64 -4.77 115.22 121.74 2jit n HIS 805 Ca 0.03 -2.64 0.48 0.00 -0.26 0.00 0.00 57.72 55.33 2jit n HIS 805 Cb 0.24 -1.19 0.79 0.00 1.12 0.00 0.00 29.99 30.94 2jit n HIS 805 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 2jit h LYS 806 N 1.76 0.01 0.07 -0.41 1.57 -1.54 -2.77 116.57 115.26 2jit h LYS 806 Ca 0.57 -0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 59.03 2jit h LYS 806 Cb 1.35 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.63 2jit h LYS 806 CO 1.35 0.01 -1.78 -0.44 -0.57 0.00 0.00 179.45 178.02 2jit h ASP 807 N 0.01 0.24 -0.96 0.86 3.32 -1.88 -3.37 116.42 114.63 2jit h ASP 807 Ca 0.86 -0.48 -0.50 0.00 0.02 0.00 0.00 57.03 56.93 2jit h ASP 807 Cb 3.35 -0.08 -0.30 0.00 0.22 0.00 0.00 39.33 42.53 2jit h ASP 807 CO -0.07 1.42 0.64 0.59 -1.72 0.00 0.00 179.24 180.10 2jit n ASN 808 N -3.30 3.82 -4.34 6.45 3.02 -1.05 -4.85 115.26 115.01 2jit n ASN 808 Ca -0.22 -3.55 -0.36 0.00 -0.03 0.00 0.00 54.58 50.42 2jit n ASN 808 Cb 1.05 -0.83 -0.13 0.00 -0.61 0.00 0.00 39.78 39.26 2jit n ASN 808 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2jit s ILE 809 N -3.20 3.75 0.37 2.41 -1.09 -1.23 -4.56 121.20 117.64 2jit s ILE 809 Ca 0.55 -0.56 0.08 0.00 -2.23 0.00 0.00 60.65 58.49 2jit s ILE 809 Cb 0.46 -2.83 -0.06 0.00 -1.58 0.00 0.00 42.46 38.45 2jit s ILE 809 CO 0.10 0.25 0.03 -0.83 -1.23 0.00 0.00 174.94 173.26 2jit s GLY 810 N 1.50 2.23 0.32 6.18 0.00 -1.26 -4.96 107.32 111.32 2jit s GLY 810 Ca 0.04 -2.08 0.05 0.00 0.00 0.00 0.00 44.72 42.73 2jit s GLY 810 CO 0.00 -1.96 1.56 -1.14 0.00 0.00 0.00 173.10 171.56 2jit n SER 811 N -1.00 -0.04 -0.26 1.64 3.41 -1.26 -0.09 113.62 116.02 2jit n SER 811 Ca -0.04 1.69 -0.06 0.00 -0.26 0.00 0.00 58.87 60.20 2jit n SER 811 Cb 0.64 -0.65 0.05 0.00 -0.26 0.00 0.00 64.21 63.99 2jit n SER 811 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 2jit h GLN 812 N 0.00 1.00 0.63 4.33 5.75 -1.92 -1.84 115.11 123.06 2jit h GLN 812 Ca 0.64 -0.14 -0.03 0.00 -0.15 0.00 0.00 58.65 58.97 2jit h GLN 812 Cb 1.40 -0.19 0.01 0.00 1.07 0.00 0.00 27.48 29.77 2jit h GLN 812 CO -0.91 0.78 -0.30 1.88 -2.65 0.00 0.00 178.83 177.63 2jit h TYR 813 N 0.98 -0.78 -0.63 3.99 0.99 -0.89 -0.99 116.97 119.64 2jit h TYR 813 Ca 0.24 -0.02 0.12 0.00 2.00 0.00 0.00 58.73 61.08 2jit h TYR 813 Cb 0.09 0.26 -0.12 0.00 1.00 0.00 0.00 36.73 37.96 2jit h TYR 813 CO 0.00 -0.47 -0.23 -0.07 -0.00 0.00 0.00 178.16 177.40 2jit h LEU 814 N -1.20 -0.81 -0.51 3.88 3.38 -1.25 0.31 115.31 119.12 2jit h LEU 814 Ca -0.09 0.21 -0.17 0.00 0.09 0.00 0.00 57.88 57.93 2jit h LEU 814 Cb 0.66 0.47 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 2jit h LEU 814 CO 0.14 -0.25 -0.70 -0.07 0.09 0.00 0.00 178.44 177.65 2jit h LEU 815 N -0.06 0.31 -0.36 1.67 3.38 -1.37 -2.41 115.31 116.46 2jit h LEU 815 Ca 0.29 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 2jit h LEU 815 Cb 0.51 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 2jit h LEU 815 CO -0.68 0.91 0.13 0.78 0.09 0.00 0.00 178.44 179.68 2jit h ASN 816 N 0.18 0.51 -0.58 -0.43 -0.26 0.44 -2.05 115.58 113.39 2jit h ASN 816 Ca -0.02 -0.18 0.10 0.00 -0.56 0.00 0.00 56.30 55.64 2jit h ASN 816 Cb 1.25 -0.13 -0.11 0.00 -1.06 0.00 0.00 38.32 38.27 2jit h ASN 816 CO 0.11 0.55 -0.37 -0.50 -1.06 0.00 0.00 177.43 176.16 2jit h TRP 817 N 0.43 -1.05 -0.99 1.19 6.55 -0.28 0.60 115.95 122.40 2jit h TRP 817 Ca 0.12 0.07 0.24 0.00 0.95 0.00 0.00 58.89 60.28 2jit h TRP 817 Cb 0.21 0.54 -0.08 0.00 -0.86 0.00 0.00 29.16 28.97 2jit h TRP 817 CO 0.00 -0.40 0.65 0.00 -1.05 0.00 0.00 178.44 177.64 2jit h VAL 819 N 0.37 1.38 0.26 0.00 2.07 0.87 -2.50 116.25 118.70 2jit h VAL 819 Ca 0.54 -1.40 -0.01 0.00 0.82 0.00 0.00 66.70 66.65 2jit h VAL 819 Cb 1.41 2.05 -0.01 0.00 -1.52 0.00 0.00 31.29 33.22 2jit h VAL 819 CO -0.22 0.40 -0.17 1.56 0.02 0.00 0.00 177.57 179.16 2jit h GLN 820 N -0.14 -0.40 -0.75 1.57 4.20 -0.81 -1.01 115.11 117.78 2jit h GLN 820 Ca 0.01 0.03 0.17 0.00 0.06 0.00 0.00 58.65 58.91 2jit h GLN 820 Cb 0.72 0.09 -0.13 0.00 0.30 0.00 0.00 27.48 28.46 2jit h GLN 820 CO 0.04 -0.27 -0.03 0.82 -0.67 0.00 0.00 178.83 178.73 2jit h ILE 821 N -0.41 0.33 -0.31 2.54 1.08 -1.39 0.19 117.51 119.53 2jit h ILE 821 Ca -0.02 -0.03 -0.06 0.00 -0.39 0.00 0.00 64.86 64.36 2jit h ILE 821 Cb 0.35 0.24 -0.02 0.00 -3.07 0.00 0.00 36.82 34.32 2jit h ILE 821 CO 0.02 0.02 -0.05 0.00 -0.69 0.00 0.00 178.15 177.44 2jit h ALA 822 N 1.71 1.34 0.01 1.87 0.00 -0.94 -1.32 119.26 121.93 2jit h ALA 822 Ca 0.40 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 2jit h ALA 822 Cb 0.70 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2jit h ALA 822 CO -0.68 0.45 -0.01 0.87 0.00 0.00 0.00 179.25 179.89 2jit h LYS 823 N 0.47 -0.02 0.10 0.00 1.57 0.58 0.37 116.57 119.65 2jit h LYS 823 Ca 0.10 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.90 2jit h LYS 823 Cb 0.39 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.66 2jit h LYS 823 CO 0.02 0.30 -0.31 0.78 -0.57 0.00 0.00 179.45 179.66 2jit h GLY 824 N -0.34 -0.59 0.38 3.86 0.00 -0.72 0.09 103.07 105.76 2jit h GLY 824 Ca -0.00 0.37 0.07 0.00 0.00 0.00 0.00 47.33 47.77 2jit h GLY 824 CO 0.00 -0.24 0.02 -0.33 0.00 0.00 0.00 176.54 175.99 2jit h MET 825 N -0.53 0.13 -0.84 4.80 2.86 -1.25 -1.46 114.93 118.63 2jit h MET 825 Ca 0.03 -0.01 0.04 0.00 -2.06 0.00 0.00 59.70 57.71 2jit h MET 825 Cb 0.57 -0.03 -0.05 0.00 0.06 0.00 0.00 31.60 32.14 2jit h MET 825 CO -0.20 0.08 0.53 -0.97 1.06 0.00 0.00 176.91 177.42 2jit h ASN 826 N 0.13 0.87 -0.86 1.22 -1.24 -0.59 0.94 115.58 116.05 2jit h ASN 826 Ca 0.20 0.00 0.10 0.00 0.71 0.00 0.00 56.30 57.31 2jit h ASN 826 Cb 0.28 -0.19 -0.07 0.00 0.73 0.00 0.00 38.32 39.06 2jit h ASN 826 CO -0.32 0.59 0.50 0.22 -1.29 0.00 0.00 177.43 177.13 2jit h TYR 827 N 1.02 0.90 -0.23 0.67 3.20 -0.00 -1.04 116.97 121.50 2jit h TYR 827 Ca 0.34 0.03 -0.08 0.00 3.14 0.00 0.00 58.73 62.16 2jit h TYR 827 Cb 0.05 -0.28 -0.00 0.00 1.54 0.00 0.00 36.73 38.04 2jit h TYR 827 CO -0.03 0.37 -0.18 -0.07 -1.64 0.00 0.00 178.16 176.62 2jit h LEU 828 N 0.83 0.55 -1.04 2.82 3.38 -0.23 -3.06 115.31 118.56 2jit h LEU 828 Ca 0.41 -0.45 0.08 0.00 0.09 0.00 0.00 57.88 58.01 2jit h LEU 828 Cb 0.38 -0.15 -0.07 0.00 0.09 0.00 0.00 40.66 40.90 2jit h LEU 828 CO -0.25 0.89 0.63 -0.08 0.09 0.00 0.00 178.44 179.72 2jit h GLU 829 N 0.22 1.07 -0.55 1.13 4.81 -0.04 0.49 114.58 121.71 2jit h GLU 829 Ca 0.04 -0.06 0.01 0.00 -0.13 0.00 0.00 59.36 59.22 2jit h GLU 829 Cb 0.71 -0.24 -0.03 0.00 0.63 0.00 0.00 28.75 29.82 2jit h GLU 829 CO 0.05 0.71 0.36 -0.44 -0.73 0.00 0.00 179.01 178.96 2jit h ASP 830 N 1.10 0.60 -0.13 1.04 3.32 -1.13 0.13 116.42 121.35 2jit h ASP 830 Ca 0.44 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.48 2jit h ASP 830 Cb 0.25 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.66 2jit h ASP 830 CO -0.19 0.43 0.00 0.54 -1.72 0.00 0.00 179.24 178.30 2jit n ARG 831 N -4.46 1.75 -2.11 3.56 3.00 0.09 -4.89 116.66 113.60 2jit n ARG 831 Ca 0.05 -0.66 -0.19 0.00 -0.01 0.00 0.00 57.85 57.04 2jit n ARG 831 Cb 0.07 -1.55 -0.03 0.00 0.00 0.00 0.00 32.46 30.95 2jit n ARG 831 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2jit n ARG 832 N 0.10 -1.67 -3.96 5.56 1.74 0.45 -4.88 116.66 113.99 2jit n ARG 832 Ca 0.06 0.99 -0.35 0.00 -0.77 0.00 0.00 57.85 57.78 2jit n ARG 832 Cb 0.39 -5.54 -0.06 0.00 -1.02 0.00 0.00 32.46 26.23 2jit n ARG 832 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2jit s LEU 833 N -5.44 4.24 -0.13 0.55 1.43 -0.75 -2.69 118.68 115.89 2jit s LEU 833 Ca 0.00 0.37 0.03 0.00 -1.03 0.00 0.00 54.13 53.50 2jit s LEU 833 Cb 0.00 -2.20 0.01 0.00 0.03 0.00 0.00 46.19 44.03 2jit s LEU 833 CO 0.00 0.36 -0.22 -0.69 0.23 0.00 0.00 176.35 176.03 2jit s VAL 834 N -1.10 2.11 -0.03 -1.59 1.01 -1.26 -4.09 120.40 115.46 2jit s VAL 834 Ca 0.19 -0.97 -0.12 0.00 0.00 0.00 0.00 61.98 61.08 2jit s VAL 834 Cb -0.12 -1.84 -0.06 0.00 0.00 0.00 0.00 36.38 34.36 2jit s VAL 834 CO 0.08 0.55 0.58 -0.74 0.00 0.00 0.00 175.10 175.58 2jit h HIS 835 N 7.21 -0.39 0.00 5.22 2.76 -1.91 -3.38 115.15 124.66 2jit h HIS 835 Ca -0.30 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 57.86 2jit h HIS 835 Cb 1.20 0.13 0.00 0.00 1.55 0.00 0.00 27.41 30.29 2jit h HIS 835 CO 0.47 -0.24 0.00 0.54 -1.30 0.00 0.00 177.93 177.40 2jit n ARG 836 N -4.38 0.00 -2.72 5.26 1.74 -1.26 -4.64 116.66 110.67 2jit n ARG 836 Ca -0.05 0.00 -0.05 0.00 -0.77 0.00 0.00 57.85 56.98 2jit n ARG 836 Cb 0.17 -0.87 0.08 0.00 -1.02 0.00 0.00 32.46 30.81 2jit n ARG 836 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2jit n ASP 837 N 0.00 0.13 -4.69 0.55 2.03 -1.26 -5.01 116.55 108.30 2jit n ASP 837 Ca 0.00 -2.36 -0.42 0.00 0.52 0.00 0.00 54.79 52.53 2jit n ASP 837 Cb 0.00 0.08 -0.03 0.00 -0.72 0.00 0.00 41.12 40.46 2jit n ASP 837 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 2jit s LEU 838 N -3.55 4.29 0.14 -2.67 2.96 -1.26 -4.86 118.68 113.74 2jit s LEU 838 Ca 0.22 1.90 -0.24 0.00 -0.22 0.00 0.00 54.13 55.79 2jit s LEU 838 Cb 0.41 -3.56 0.07 0.00 0.50 0.00 0.00 46.19 43.61 2jit s LEU 838 CO -0.05 -0.63 0.66 0.00 -1.32 0.00 0.00 176.35 175.02 2jit s ALA 839 N 2.28 -1.60 0.46 5.97 0.00 -1.26 -4.73 121.76 122.87 2jit s ALA 839 Ca 0.58 0.50 0.13 0.00 0.00 0.00 0.00 51.96 53.17 2jit s ALA 839 Cb -0.27 0.81 1.04 0.00 0.00 0.00 0.00 23.12 24.70 2jit s ALA 839 CO 0.23 -0.79 2.05 0.00 0.00 0.00 0.00 175.76 177.26 2jit h ALA 840 N 2.00 1.78 0.00 0.00 0.00 -1.93 0.73 119.26 121.84 2jit h ALA 840 Ca -0.31 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.52 2jit h ALA 840 Cb 1.29 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2jit h ALA 840 CO 0.35 0.17 0.00 2.89 0.00 0.00 0.00 179.25 182.66 2jit n ARG 841 N -4.43 0.13 -0.56 0.00 1.85 -1.26 -2.35 116.66 110.03 2jit n ARG 841 Ca -0.01 0.31 0.06 0.00 -1.00 0.00 0.00 57.85 57.21 2jit n ARG 841 Cb 0.15 -1.72 0.26 0.00 -1.05 0.00 0.00 32.46 30.10 2jit n ARG 841 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 2jit n ASN 842 N -1.95 3.85 -4.05 2.89 3.02 0.25 -4.80 115.26 114.47 2jit n ASN 842 Ca 0.03 -3.14 -0.32 0.00 -0.03 0.00 0.00 54.58 51.12 2jit n ASN 842 Cb 0.24 -0.58 -0.14 0.00 -0.61 0.00 0.00 39.78 38.69 2jit n ASN 842 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2jit s VAL 843 N -2.90 2.58 0.59 2.41 1.01 -0.99 -1.37 120.40 121.71 2jit s VAL 843 Ca 0.44 -2.31 -0.16 0.00 0.00 0.00 0.00 61.98 59.95 2jit s VAL 843 Cb 0.36 -2.86 -0.04 0.00 0.00 0.00 0.00 36.38 33.85 2jit s VAL 843 CO 0.08 -0.63 1.06 -0.76 0.00 0.00 0.00 175.10 174.85 2jit s LEU 844 N 0.91 3.52 -0.45 3.92 1.43 0.13 0.50 118.68 128.64 2jit s LEU 844 Ca 0.11 1.84 -0.07 0.00 -1.03 0.00 0.00 54.13 54.97 2jit s LEU 844 Cb -0.20 -4.54 0.12 0.00 0.03 0.00 0.00 46.19 41.60 2jit s LEU 844 CO -0.07 -1.16 0.30 -0.69 0.23 0.00 0.00 176.35 174.96 2jit s VAL 845 N -2.40 3.92 0.02 -1.59 1.01 -0.44 -1.42 120.40 119.50 2jit s VAL 845 Ca 0.64 -1.87 -0.26 0.00 0.00 0.00 0.00 61.98 60.49 2jit s VAL 845 Cb -0.16 -3.62 -0.17 0.00 0.00 0.00 0.00 36.38 32.44 2jit s VAL 845 CO 0.36 -0.75 1.28 0.50 0.00 0.00 0.00 175.10 176.48 2jit h LYS 846 N 8.33 -0.47 -3.64 2.72 3.64 -1.64 -3.33 116.57 122.18 2jit h LYS 846 Ca -0.19 0.03 -0.13 0.00 -1.27 0.00 0.00 60.65 59.10 2jit h LYS 846 Cb 1.06 0.11 -0.19 0.00 -0.41 0.00 0.00 32.23 32.80 2jit h LYS 846 CO 0.81 -0.16 -0.49 0.95 -2.27 0.00 0.00 179.45 178.29 2jit s THR 847 N -4.84 0.11 -0.98 1.00 -4.23 -0.23 -4.74 115.64 101.73 2jit s THR 847 Ca -0.14 -0.90 0.00 0.00 -1.18 0.00 0.00 61.69 59.47 2jit s THR 847 Cb 0.02 -0.71 0.00 0.00 1.34 0.00 0.00 72.50 73.15 2jit s THR 847 CO 0.54 -0.49 0.71 -0.81 -0.54 0.00 0.00 174.62 174.03 2jit n PRO 848 N 1.02 0.00 -0.04 3.99 -0.04 -1.26 0.12 135.00 138.80 2jit n PRO 848 Ca -0.20 0.25 0.04 0.00 -0.04 0.00 0.00 63.50 63.55 2jit n PRO 848 Cb 0.57 -1.59 0.06 0.00 -0.04 0.00 0.00 33.50 32.51 2jit n PRO 848 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jit n GLN 849 N -1.21 2.26 -3.60 0.54 10.64 -1.26 -4.97 117.38 119.78 2jit n GLN 849 Ca 0.00 -1.98 -0.00 0.00 -1.83 0.00 0.00 57.00 53.18 2jit n GLN 849 Cb 0.09 -1.23 -0.04 0.00 -0.86 0.00 0.00 30.24 28.20 2jit n GLN 849 CO 0.00 0.00 0.00 -1.58 -1.83 0.00 0.00 177.06 173.65 2jit s HIS 850 N -1.83 -1.28 0.21 2.61 5.04 0.12 -5.02 115.29 115.14 2jit s HIS 850 Ca 0.14 2.17 0.07 0.00 -1.54 0.00 0.00 55.06 55.90 2jit s HIS 850 Cb 0.13 0.75 -0.05 0.00 0.04 0.00 0.00 32.58 33.45 2jit s HIS 850 CO 0.02 -0.64 -0.11 0.14 -2.34 0.00 0.00 174.74 171.80 2jit s VAL 851 N 2.85 1.60 0.07 0.89 -7.23 -1.26 -1.06 120.40 116.26 2jit s VAL 851 Ca -0.04 -2.17 0.04 0.00 -1.81 0.00 0.00 61.98 58.00 2jit s VAL 851 Cb -0.11 -2.12 -0.03 0.00 0.56 0.00 0.00 36.38 34.68 2jit s VAL 851 CO -0.19 -0.54 -0.11 -0.54 -0.31 0.00 0.00 175.10 173.41 2jit s LYS 852 N -3.69 0.73 -0.17 4.82 1.02 -0.51 -4.48 119.74 117.46 2jit s LYS 852 Ca 0.24 -0.93 -0.08 0.00 0.02 0.00 0.00 55.97 55.22 2jit s LYS 852 Cb 0.01 -0.60 -0.04 0.00 -0.52 0.00 0.00 37.83 36.68 2jit s LYS 852 CO 0.07 0.12 0.09 0.42 -0.92 0.00 0.00 175.35 175.13 2jit s ILE 853 N -1.53 5.08 0.22 2.17 1.01 -0.35 0.17 121.20 127.96 2jit s ILE 853 Ca -0.03 0.06 -0.31 0.00 0.00 0.00 0.00 60.65 60.38 2jit s ILE 853 Cb -0.09 -3.28 -0.10 0.00 0.01 0.00 0.00 42.46 39.01 2jit s ILE 853 CO 0.01 0.49 1.48 -0.89 0.00 0.00 0.00 174.94 176.03 2jit s THR 854 N 0.08 2.67 -0.35 2.92 2.01 -0.47 -1.32 115.64 121.17 2jit s THR 854 Ca 0.07 0.53 0.06 0.00 0.31 0.00 0.00 61.69 62.66 2jit s THR 854 Cb -0.12 -3.34 0.47 0.00 0.01 0.00 0.00 72.50 69.53 2jit s THR 854 CO 0.00 0.07 1.42 -0.90 -0.69 0.00 0.00 174.62 174.52 2jit n ASP 855 N 2.93 4.38 -4.84 3.53 3.85 -1.26 -4.91 116.55 120.22 2jit n ASP 855 Ca 0.09 -3.79 -0.33 0.00 -0.71 0.00 0.00 54.79 50.06 2jit n ASP 855 Cb 0.40 -0.56 -0.06 0.00 -1.35 0.00 0.00 41.12 39.55 2jit n ASP 855 CO 0.00 0.00 0.00 -0.36 -1.01 0.00 0.00 177.20 175.83 2jit s PHE 856 N -3.51 3.37 -2.01 2.11 2.99 -1.26 -4.00 117.98 115.67 2jit s PHE 856 Ca 0.50 1.33 0.00 0.00 0.00 0.00 0.00 56.93 58.76 2jit s PHE 856 Cb 0.42 -2.62 0.00 0.00 0.00 0.00 0.00 43.02 40.82 2jit s PHE 856 CO 0.01 0.05 0.00 0.41 -0.00 0.00 0.00 175.22 175.69 2jit n GLY 857 N -0.40 1.23 0.11 4.36 0.00 -1.26 -4.77 105.19 104.46 2jit n GLY 857 Ca 0.04 -0.05 0.07 0.00 0.00 0.00 0.00 46.02 46.09 2jit n GLY 857 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2jit n LEU 858 N -2.46 0.36 0.00 0.99 7.94 -1.26 -4.67 117.00 117.91 2jit n LEU 858 Ca -0.21 0.63 0.00 0.00 -1.11 0.00 0.00 56.01 55.32 2jit n LEU 858 Cb 0.67 -0.66 0.00 0.00 0.53 0.00 0.00 43.42 43.95 2jit n LEU 858 CO 0.30 -0.76 0.00 0.00 -1.11 0.00 0.00 177.39 175.82 2jit n ALA 859 N -1.64 0.00 0.00 1.96 0.00 -1.26 -4.08 120.51 115.48 2jit n ALA 859 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2jit n ALA 859 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.54 2jit n ALA 859 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 2jit n LYS 860 N 0.00 2.50 -1.38 0.00 2.85 -1.26 -4.83 118.16 116.04 2jit n LYS 860 Ca 0.00 0.00 -0.51 0.00 -1.05 0.00 0.00 58.31 56.75 2jit n LYS 860 Cb 0.00 -0.32 -0.12 0.00 -0.65 0.00 0.00 35.03 33.94 2jit n LYS 860 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 177.40 177.24 2jit n LEU 861 N -0.18 0.83 -4.74 -5.58 0.00 -1.25 -4.39 117.00 101.69 2jit n LEU 861 Ca 0.00 0.40 -0.39 0.00 0.00 0.00 0.00 56.01 56.02 2jit n LEU 861 Cb 0.00 -0.99 -0.05 0.00 0.00 0.00 0.00 43.42 42.38 2jit n LEU 861 CO 0.00 -0.79 0.32 -0.76 0.00 0.00 0.00 177.39 176.16 2jit s LEU 862 N 7.60 4.35 0.00 -1.96 1.43 -1.10 -5.02 118.68 123.99 2jit s LEU 862 Ca 1.24 1.12 0.00 0.00 -1.03 0.00 0.00 54.13 55.46 2jit s LEU 862 Cb -1.26 -2.96 0.00 0.00 0.03 0.00 0.00 46.19 42.00 2jit s LEU 862 CO 0.56 -0.00 0.00 0.61 0.23 0.00 0.00 176.35 177.74 2jit n GLY 863 N 2.84 0.00 0.56 -3.19 0.00 -1.26 -4.86 105.19 99.27 2jit n GLY 863 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 2jit n GLY 863 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jit n ALA 864 N -2.24 0.36 0.04 4.61 0.00 -1.26 -4.91 120.51 117.11 2jit n ALA 864 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 2jit n ALA 864 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.32 2jit n ALA 864 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2jit h GLU 865 N 0.00 0.02 -5.91 0.00 -0.00 -2.02 -3.45 114.58 103.22 2jit h GLU 865 Ca 0.00 -0.03 -0.58 0.00 -0.00 0.00 0.00 59.36 58.75 2jit h GLU 865 Cb 0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 28.75 28.76 2jit h GLU 865 CO 0.00 0.86 1.51 -0.85 -0.00 0.00 0.00 179.01 180.53 2jit n GLU 866 N -3.27 1.63 0.18 1.06 -0.00 -1.26 -4.83 120.64 114.15 2jit n GLU 866 Ca -0.06 0.39 0.09 0.00 -0.00 0.00 0.00 57.16 57.58 2jit n GLU 866 Cb 0.98 -3.12 0.10 0.00 -0.00 0.00 0.00 31.44 29.41 2jit n GLU 866 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.13 176.91 2jit h LYS 867 N 15.36 0.00 0.00 3.44 3.11 -1.97 -3.41 116.57 133.11 2jit h LYS 867 Ca -0.35 0.00 -0.49 0.00 -2.81 0.00 0.00 60.65 57.00 2jit h LYS 867 Cb 1.26 0.00 -0.12 0.00 -1.00 0.00 0.00 32.23 32.37 2jit h LYS 867 CO 1.01 0.14 -0.43 -0.85 -2.81 0.00 0.00 179.45 176.50 2jit n GLU 868 N -3.08 0.50 -3.89 1.90 0.28 -1.26 -4.69 120.64 110.40 2jit n GLU 868 Ca 0.03 -3.16 -0.15 0.00 -0.16 0.00 0.00 57.16 53.71 2jit n GLU 868 Cb 0.60 2.09 -0.15 0.00 1.43 0.00 0.00 31.44 35.40 2jit n GLU 868 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 177.13 176.50 2jit s TYR 869 N -3.10 0.17 -0.22 -1.84 5.04 -0.68 -4.93 117.35 111.79 2jit s TYR 869 Ca 0.27 0.03 -0.08 0.00 -2.44 0.00 0.00 57.07 54.85 2jit s TYR 869 Cb 0.01 -0.25 -0.04 0.00 0.35 0.00 0.00 41.96 42.03 2jit s TYR 869 CO 0.19 -0.07 0.10 -1.01 -1.34 0.00 0.00 175.55 173.41 2jit s HIS 870 N 0.69 3.24 0.30 4.97 3.76 -1.26 -1.22 115.29 125.76 2jit s HIS 870 Ca -0.06 0.03 -0.00 0.00 -0.15 0.00 0.00 55.06 54.88 2jit s HIS 870 Cb -0.09 -2.18 -0.04 0.00 1.11 0.00 0.00 32.58 31.38 2jit s HIS 870 CO -0.02 0.02 0.50 0.00 -0.85 0.00 0.00 174.74 174.39 2jit s ALA 871 N 0.87 3.74 0.00 -1.40 0.00 -0.69 -5.04 121.76 119.23 2jit s ALA 871 Ca 0.05 -0.87 0.00 0.00 0.00 0.00 0.00 51.96 51.14 2jit s ALA 871 Cb -0.13 -2.08 0.00 0.00 0.00 0.00 0.00 23.12 20.91 2jit s ALA 871 CO 0.03 0.14 0.00 0.39 0.00 0.00 0.00 175.76 176.31 2jit n GLU 872 N -1.39 0.00 -0.65 0.00 4.71 -1.26 -4.90 120.64 117.15 2jit n GLU 872 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.10 2jit n GLU 872 Cb 0.55 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.98 2jit n GLU 872 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2jit n GLY 873 N 5.00 4.39 0.00 0.62 0.00 -1.26 -5.04 105.19 108.91 2jit n GLY 873 Ca 0.00 -2.09 0.00 0.00 0.00 0.00 0.00 46.02 43.93 2jit n GLY 873 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jit n GLY 874 N 5.00 -1.31 3.74 -0.02 0.00 -1.26 -4.96 105.19 106.38 2jit n GLY 874 Ca 0.00 -2.16 -0.41 0.00 0.00 0.00 0.00 46.02 43.45 2jit n GLY 874 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2jit s LYS 875 N -0.23 4.65 0.05 1.61 2.20 -1.26 -5.06 119.74 121.70 2jit s LYS 875 Ca 0.00 1.64 0.01 0.00 -0.36 0.00 0.00 55.97 57.26 2jit s LYS 875 Cb 0.00 -3.29 -0.03 0.00 -1.51 0.00 0.00 37.83 33.00 2jit s LYS 875 CO 0.00 0.17 -0.05 0.14 -0.36 0.00 0.00 175.35 175.26 2jit s VAL 876 N -0.41 0.36 -1.18 4.02 -7.23 -1.26 -5.10 120.40 109.60 2jit s VAL 876 Ca 0.47 -1.41 -0.13 0.00 -1.81 0.00 0.00 61.98 59.10 2jit s VAL 876 Cb -0.28 -0.98 0.18 0.00 0.56 0.00 0.00 36.38 35.86 2jit s VAL 876 CO 0.34 -0.69 1.37 -2.84 -0.31 0.00 0.00 175.10 172.98 2jit s PRO 877 N -2.65 4.08 0.23 4.82 0.02 -1.26 -4.89 135.00 135.34 2jit s PRO 877 Ca -0.03 -2.62 -0.07 0.00 0.02 0.00 0.00 61.00 58.31 2jit s PRO 877 Cb -0.02 -4.99 0.31 0.00 0.02 0.00 0.00 34.50 29.82 2jit s PRO 877 CO -0.04 -1.70 1.81 0.82 -0.33 0.00 0.00 177.00 177.57 2jit h ILE 878 N 4.60 0.95 0.00 2.83 5.03 -1.96 -1.04 117.51 127.93 2jit h ILE 878 Ca 0.29 -0.26 0.00 0.00 -0.12 0.00 0.00 64.86 64.77 2jit h ILE 878 Cb 0.88 0.13 0.00 0.00 -3.03 0.00 0.00 36.82 34.80 2jit h ILE 878 CO 1.21 0.14 0.00 0.29 -0.68 0.00 0.00 178.15 179.10 2jit n LYS 879 N -4.75 0.70 0.00 2.37 5.02 -1.26 -1.97 118.16 118.27 2jit n LYS 879 Ca 0.11 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.40 2jit n LYS 879 Cb 0.21 -1.06 0.00 0.00 -0.02 0.00 0.00 35.03 34.16 2jit n LYS 879 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 2jit n TRP 880 N -0.39 0.00 -3.51 2.13 8.01 -0.43 -4.87 117.44 118.39 2jit n TRP 880 Ca 0.00 0.00 -0.33 0.00 -1.31 0.00 0.00 57.50 55.86 2jit n TRP 880 Cb 0.03 0.00 -0.05 0.00 -2.01 0.00 0.00 31.31 29.28 2jit n TRP 880 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.69 175.04 2jit s MET 881 N -0.87 3.76 0.58 -0.99 -1.94 -0.83 -3.77 119.30 115.24 2jit s MET 881 Ca 0.00 0.18 -0.18 0.00 -1.71 0.00 0.00 55.69 53.98 2jit s MET 881 Cb 0.00 -2.80 -0.04 0.00 2.01 0.00 0.00 34.83 34.00 2jit s MET 881 CO 0.00 0.42 1.11 0.00 -0.01 0.00 0.00 175.02 176.54 2jit s ALA 882 N -1.66 2.65 0.21 3.03 0.00 -1.26 -4.80 121.76 119.93 2jit s ALA 882 Ca 0.42 0.68 -0.10 0.00 0.00 0.00 0.00 51.96 52.95 2jit s ALA 882 Cb -0.12 -3.32 0.27 0.00 0.00 0.00 0.00 23.12 19.95 2jit s ALA 882 CO 0.21 -0.87 1.72 1.25 0.00 0.00 0.00 175.76 178.08 2jit h LEU 883 N 0.82 0.10 -1.64 0.00 5.85 -1.94 0.18 115.31 118.68 2jit h LEU 883 Ca -0.49 0.09 0.03 0.00 0.84 0.00 0.00 57.88 58.36 2jit h LEU 883 Cb 1.25 0.11 -0.02 0.00 0.37 0.00 0.00 40.66 42.36 2jit h LEU 883 CO 0.56 0.06 0.29 1.05 -0.34 0.00 0.00 178.44 180.07 2jit h GLU 884 N 0.32 0.46 -0.21 1.25 9.09 -1.91 0.42 114.58 123.99 2jit h GLU 884 Ca 0.30 -0.03 -0.05 0.00 0.05 0.00 0.00 59.36 59.63 2jit h GLU 884 Cb 0.41 -0.10 -0.01 0.00 -1.65 0.00 0.00 28.75 27.40 2jit h GLU 884 CO -0.35 0.30 -0.06 0.77 0.05 0.00 0.00 179.01 179.72 2jit h SER 885 N 0.47 0.42 -0.84 3.06 0.02 -1.03 0.77 113.55 116.43 2jit h SER 885 Ca 0.17 -0.38 0.00 0.00 -0.84 0.00 0.00 61.79 60.75 2jit h SER 885 Cb 0.11 -0.12 -0.04 0.00 0.14 0.00 0.00 62.40 62.49 2jit h SER 885 CO -0.04 0.70 0.54 0.40 -1.14 0.00 0.00 176.83 177.29 2jit h ILE 886 N 0.14 1.22 0.15 3.27 2.04 -0.29 0.17 117.51 124.20 2jit h ILE 886 Ca 0.05 -0.43 -0.23 0.00 1.00 0.00 0.00 64.86 65.26 2jit h ILE 886 Cb 0.52 0.00 0.02 0.00 -0.74 0.00 0.00 36.82 36.62 2jit h ILE 886 CO 0.02 0.22 -1.07 -0.07 0.00 0.00 0.00 178.15 177.25 2jit h LEU 887 N 1.14 0.49 -2.75 1.44 3.38 -0.18 -3.41 115.31 115.43 2jit h LEU 887 Ca 0.31 -0.92 -0.00 0.00 0.09 0.00 0.00 57.88 57.35 2jit h LEU 887 Cb -0.11 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 2jit h LEU 887 CO -0.06 1.50 -0.17 1.41 0.09 0.00 0.00 178.44 181.20 2jit n HIS 888 N -4.02 0.00 -2.44 1.13 8.25 0.27 -4.97 115.22 113.43 2jit n HIS 888 Ca -0.17 -0.76 -0.11 0.00 -0.26 0.00 0.00 57.72 56.41 2jit n HIS 888 Cb 0.88 -0.13 -0.01 0.00 1.12 0.00 0.00 29.99 31.86 2jit n HIS 888 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2jit n ARG 889 N -1.02 -2.30 -3.90 -0.41 1.74 0.04 -4.90 116.66 105.92 2jit n ARG 889 Ca 0.12 0.54 -0.35 0.00 -0.77 0.00 0.00 57.85 57.39 2jit n ARG 889 Cb 0.67 -5.13 -0.14 0.00 -1.02 0.00 0.00 32.46 26.84 2jit n ARG 889 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 2jit s ILE 890 N -2.55 3.36 -0.04 0.55 2.07 -1.25 -1.70 121.20 121.64 2jit s ILE 890 Ca 0.00 -0.56 0.03 0.00 -1.41 0.00 0.00 60.65 58.71 2jit s ILE 890 Cb 0.00 -2.57 -0.03 0.00 0.13 0.00 0.00 42.46 40.00 2jit s ILE 890 CO 0.00 0.37 -0.13 -0.31 -1.91 0.00 0.00 174.94 172.96 2jit s TYR 891 N 1.46 2.74 0.27 3.50 1.51 -0.35 -3.48 117.35 123.01 2jit s TYR 891 Ca 0.05 -0.13 -0.01 0.00 -1.01 0.00 0.00 57.07 55.97 2jit s TYR 891 Cb -0.15 -1.63 -0.02 0.00 -0.11 0.00 0.00 41.96 40.05 2jit s TYR 891 CO -0.03 0.23 0.30 0.95 -1.11 0.00 0.00 175.55 175.89 2jit s THR 892 N -0.78 0.00 0.41 -0.71 -4.23 -1.26 -1.69 115.64 107.37 2jit s THR 892 Ca 0.12 -1.81 0.08 0.00 -1.18 0.00 0.00 61.69 58.90 2jit s THR 892 Cb -0.11 -2.48 0.23 0.00 1.34 0.00 0.00 72.50 71.48 2jit s THR 892 CO 0.02 0.00 2.02 0.45 -0.54 0.00 0.00 174.62 176.56 2jit h HIS 893 N 2.33 0.40 0.00 3.99 3.86 -1.91 -1.50 115.15 122.32 2jit h HIS 893 Ca -0.30 -0.01 -0.09 0.00 -1.16 0.00 0.00 60.37 58.81 2jit h HIS 893 Cb 1.24 -0.13 -0.01 0.00 1.06 0.00 0.00 27.41 29.57 2jit h HIS 893 CO 0.93 0.32 -0.44 1.96 0.86 0.00 0.00 177.93 181.57 2jit h GLN 894 N 0.41 0.00 -0.29 2.45 1.08 -1.94 -2.20 115.11 114.62 2jit h GLN 894 Ca 0.10 0.00 -0.15 0.00 -1.45 0.00 0.00 58.65 57.16 2jit h GLN 894 Cb 0.09 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.51 2jit h GLN 894 CO -0.01 0.44 -0.41 0.66 -0.95 0.00 0.00 178.83 178.56 2jit h SER 895 N 0.00 0.76 -0.48 1.46 4.64 -1.66 -3.01 113.55 115.25 2jit h SER 895 Ca -0.00 -0.34 -0.02 0.00 -0.47 0.00 0.00 61.79 60.96 2jit h SER 895 Cb 0.95 -0.21 -0.03 0.00 -0.31 0.00 0.00 62.40 62.80 2jit h SER 895 CO 0.06 1.07 0.26 0.44 -0.87 0.00 0.00 176.83 177.78 2jit h ASP 896 N 0.58 0.64 -0.55 4.97 3.32 -0.93 -1.74 116.42 122.70 2jit h ASP 896 Ca 0.05 -0.05 0.04 0.00 0.02 0.00 0.00 57.03 57.08 2jit h ASP 896 Cb 0.95 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 40.29 2jit h ASP 896 CO 0.09 0.54 0.31 0.58 -1.72 0.00 0.00 179.24 179.03 2jit h VAL 897 N 0.72 1.01 0.15 -1.35 2.07 -1.32 0.22 116.25 117.75 2jit h VAL 897 Ca 0.18 -0.21 0.01 0.00 0.82 0.00 0.00 66.70 67.50 2jit h VAL 897 Cb 0.06 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.17 2jit h VAL 897 CO -0.03 0.11 -0.20 -0.25 0.02 0.00 0.00 177.57 177.22 2jit h TRP 898 N 0.60 -0.52 -0.92 1.57 2.91 -1.24 -0.91 115.95 117.44 2jit h TRP 898 Ca 0.23 0.01 0.16 0.00 1.13 0.00 0.00 58.89 60.42 2jit h TRP 898 Cb 0.09 0.21 -0.10 0.00 -0.51 0.00 0.00 29.16 28.85 2jit h TRP 898 CO -0.08 -0.29 0.52 0.77 -1.03 0.00 0.00 178.44 178.32 2jit h SER 899 N -0.40 0.65 -0.78 2.65 0.02 -0.80 0.18 113.55 115.07 2jit h SER 899 Ca 0.01 0.09 0.08 0.00 -0.84 0.00 0.00 61.79 61.14 2jit h SER 899 Cb 0.40 -0.02 -0.07 0.00 0.14 0.00 0.00 62.40 62.85 2jit h SER 899 CO -0.08 0.26 0.43 0.22 -1.14 0.00 0.00 176.83 176.53 2jit h TYR 900 N 0.70 0.79 -0.51 3.45 3.20 0.04 0.13 116.97 124.77 2jit h TYR 900 Ca 0.51 0.03 0.10 0.00 3.14 0.00 0.00 58.73 62.51 2jit h TYR 900 Cb 0.73 -0.24 -0.08 0.00 1.54 0.00 0.00 36.73 38.68 2jit h TYR 900 CO -0.05 0.33 0.01 0.78 -1.64 0.00 0.00 178.16 177.59 2jit h GLY 901 N 0.75 0.53 0.87 1.82 0.00 0.41 -0.24 103.07 107.22 2jit h GLY 901 Ca 0.37 0.06 -0.04 0.00 0.00 0.00 0.00 47.33 47.72 2jit h GLY 901 CO -0.23 -0.14 0.03 -2.08 0.00 0.00 0.00 176.54 174.12 2jit h VAL 902 N 0.13 1.24 -0.57 4.60 2.07 -0.91 -1.66 116.25 121.15 2jit h VAL 902 Ca 0.26 -0.84 0.10 0.00 0.82 0.00 0.00 66.70 67.04 2jit h VAL 902 Cb 0.39 1.25 -0.08 0.00 -1.52 0.00 0.00 31.29 31.32 2jit h VAL 902 CO -0.42 0.27 0.12 0.74 0.02 0.00 0.00 177.57 178.30 2jit h THR 903 N 0.28 0.66 -0.61 2.57 2.02 -0.38 0.54 112.91 118.00 2jit h THR 903 Ca 0.08 -0.09 0.03 0.00 0.77 0.00 0.00 66.41 67.21 2jit h THR 903 Cb 0.37 0.39 -0.04 0.00 -1.74 0.00 0.00 68.15 67.13 2jit h THR 903 CO 0.01 0.05 0.37 0.58 0.37 0.00 0.00 175.52 176.89 2jit h VAL 904 N 0.25 1.05 -0.96 3.16 2.07 -0.84 -2.47 116.25 118.51 2jit h VAL 904 Ca 0.30 -0.24 0.04 0.00 0.82 0.00 0.00 66.70 67.61 2jit h VAL 904 Cb 0.43 0.27 -0.06 0.00 -1.52 0.00 0.00 31.29 30.41 2jit h VAL 904 CO -0.38 0.13 0.63 -0.25 0.02 0.00 0.00 177.57 177.72 2jit h TRP 905 N 0.71 1.17 -0.68 1.57 7.01 -0.01 -1.53 115.95 124.20 2jit h TRP 905 Ca 0.25 0.03 -0.03 0.00 2.11 0.00 0.00 58.89 61.25 2jit h TRP 905 Cb 0.06 -0.39 -0.03 0.00 -2.10 0.00 0.00 29.16 26.70 2jit h TRP 905 CO -0.06 0.67 0.30 0.93 -2.79 0.00 0.00 178.44 177.49 2jit h GLU 906 N 1.21 0.99 0.18 2.65 5.08 -0.57 -2.15 114.58 121.96 2jit h GLU 906 Ca 0.39 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 58.59 2jit h GLU 906 Cb 0.02 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.09 2jit h GLU 906 CO -0.13 0.78 -0.09 -0.07 -1.00 0.00 0.00 179.01 178.51 2jit h LEU 907 N 0.98 -0.21 -2.26 1.33 3.38 -1.17 1.39 115.31 118.75 2jit h LEU 907 Ca 0.23 -0.29 0.05 0.00 0.09 0.00 0.00 57.88 57.96 2jit h LEU 907 Cb 0.14 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 2jit h LEU 907 CO -0.03 0.22 0.19 0.24 0.09 0.00 0.00 178.44 179.16 2jit h MET 908 N -0.69 0.00 -0.01 1.13 2.86 -1.21 0.44 114.93 117.45 2jit h MET 908 Ca -0.03 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 2jit h MET 908 Cb 0.49 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.15 2jit h MET 908 CO 0.04 0.00 -0.36 0.25 1.06 0.00 0.00 176.91 177.90 2jit n THR 909 N -3.75 0.00 -2.99 2.22 -2.24 -0.82 -4.70 114.28 102.01 2jit n THR 909 Ca 0.01 -0.20 -0.13 0.00 -2.27 0.00 0.00 64.05 61.46 2jit n THR 909 Cb 0.31 0.84 0.04 0.00 -2.10 0.00 0.00 70.33 69.41 2jit n THR 909 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 2jit n PHE 910 N -0.30 -1.45 -0.65 4.78 3.72 0.16 -4.14 117.46 119.57 2jit n PHE 910 Ca 0.11 0.48 0.00 0.00 -0.05 0.00 0.00 57.45 57.99 2jit n PHE 910 Cb 0.41 -3.14 0.00 0.00 -0.94 0.00 0.00 39.48 35.81 2jit n PHE 910 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2jit n GLY 911 N -1.29 1.41 3.75 1.37 0.00 0.47 -4.03 105.19 106.87 2jit n GLY 911 Ca -0.01 -0.30 -0.35 0.00 0.00 0.00 0.00 46.02 45.35 2jit n GLY 911 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jit s SER 912 N -2.34 5.01 -0.08 1.61 0.01 -1.25 -4.99 113.70 111.68 2jit s SER 912 Ca 0.00 2.30 -0.29 0.00 1.31 0.00 0.00 55.95 59.27 2jit s SER 912 Cb 0.00 -2.59 -0.02 0.00 0.21 0.00 0.00 66.02 63.62 2jit s SER 912 CO 0.00 -1.71 0.96 -0.54 0.41 0.00 0.00 173.24 172.36 2jit s LYS 913 N -3.58 4.45 0.53 12.44 -0.14 -1.26 -4.76 119.74 127.43 2jit s LYS 913 Ca 0.75 1.33 -0.22 0.00 -1.36 0.00 0.00 55.97 56.47 2jit s LYS 913 Cb -0.28 -3.51 -0.06 0.00 -1.68 0.00 0.00 37.83 32.30 2jit s LYS 913 CO 0.36 -0.21 1.23 -2.30 -0.76 0.00 0.00 175.35 173.68 2jit n PRO 914 N 4.59 1.51 -2.86 -1.68 -0.02 -1.26 -2.72 135.00 132.56 2jit n PRO 914 Ca 0.07 0.56 -0.15 0.00 -2.02 0.00 0.00 63.50 61.96 2jit n PRO 914 Cb 0.50 -2.41 -0.03 0.00 -0.02 0.00 0.00 33.50 31.53 2jit n PRO 914 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2jit n TYR 915 N -1.04 -0.46 -1.93 6.00 4.01 -1.26 -4.76 117.16 117.72 2jit n TYR 915 Ca 0.11 0.25 -0.42 0.00 -0.16 0.00 0.00 57.90 57.68 2jit n TYR 915 Cb 0.44 -0.84 -0.03 0.00 -0.31 0.00 0.00 39.34 38.60 2jit n TYR 915 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 2jit s ASP 916 N -2.47 6.60 0.00 7.72 2.15 -1.10 -2.50 116.67 127.07 2jit s ASP 916 Ca 0.21 2.50 0.00 0.00 0.43 0.00 0.00 52.55 55.68 2jit s ASP 916 Cb -0.12 -2.57 0.00 0.00 -0.30 0.00 0.00 42.92 39.93 2jit s ASP 916 CO 0.39 -0.88 0.00 0.61 -0.17 0.00 0.00 175.17 175.12 2jit n GLY 917 N 3.96 1.08 2.97 2.66 0.00 -1.26 -5.08 105.19 109.53 2jit n GLY 917 Ca 0.16 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.90 2jit n GLY 917 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jit s ILE 918 N -2.00 1.22 0.38 -0.61 1.01 -1.04 -5.12 121.20 115.04 2jit s ILE 918 Ca 0.00 -0.44 -0.28 0.00 0.00 0.00 0.00 60.65 59.93 2jit s ILE 918 Cb 0.00 -1.17 -0.11 0.00 0.01 0.00 0.00 42.46 41.19 2jit s ILE 918 CO 0.00 0.39 1.48 -2.16 0.00 0.00 0.00 174.94 174.66 2jit s PRO 919 N 1.36 4.08 0.35 2.79 0.04 -1.26 -4.85 135.00 137.51 2jit s PRO 919 Ca -0.01 2.56 0.13 0.00 0.04 0.00 0.00 61.00 63.73 2jit s PRO 919 Cb -0.14 -2.95 0.97 0.00 0.04 0.00 0.00 34.50 32.43 2jit s PRO 919 CO -0.05 -0.55 1.75 0.00 0.04 0.00 0.00 177.00 178.18 2jit h ALA 920 N 2.96 1.98 -0.74 8.56 0.00 -2.00 0.57 119.26 130.58 2jit h ALA 920 Ca -0.51 0.09 0.03 0.00 0.00 0.00 0.00 54.91 54.53 2jit h ALA 920 Cb 1.24 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 19.00 2jit h ALA 920 CO 0.64 -0.42 0.49 0.66 0.00 0.00 0.00 179.25 180.62 2jit h SER 921 N 0.51 0.79 1.19 0.00 4.64 -2.03 -1.82 113.55 116.83 2jit h SER 921 Ca 0.62 -0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.92 2jit h SER 921 Cb 1.33 -0.19 -0.00 0.00 -0.31 0.00 0.00 62.40 63.24 2jit h SER 921 CO -0.39 0.55 -0.06 -0.33 -0.87 0.00 0.00 176.83 175.73 2jit h GLU 922 N 0.92 0.00 -0.33 4.77 4.39 -0.20 -3.33 114.58 120.81 2jit h GLU 922 Ca 0.29 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.98 2jit h GLU 922 Cb 0.03 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.66 2jit h GLU 922 CO -0.08 0.06 0.17 0.82 -1.16 0.00 0.00 179.01 178.81 2jit h ILE 923 N 0.00 1.15 -0.55 3.13 1.08 -1.11 -2.06 117.51 119.14 2jit h ILE 923 Ca -0.00 -0.40 0.11 0.00 -0.39 0.00 0.00 64.86 64.18 2jit h ILE 923 Cb 0.66 0.81 -0.11 0.00 -3.07 0.00 0.00 36.82 35.12 2jit h ILE 923 CO 0.01 0.15 -0.16 -1.28 -0.69 0.00 0.00 178.15 176.17 2jit h SER 924 N 0.40 -0.60 0.05 1.72 0.87 -1.70 -1.14 113.55 113.16 2jit h SER 924 Ca 0.11 0.17 0.01 0.00 -1.23 0.00 0.00 61.79 60.86 2jit h SER 924 Cb 0.09 0.37 -0.02 0.00 -0.44 0.00 0.00 62.40 62.40 2jit h SER 924 CO -0.02 -0.20 -0.11 -1.28 -0.53 0.00 0.00 176.83 174.69 2jit h SER 925 N -0.03 -0.30 -0.33 6.23 0.87 -1.61 -2.57 113.55 115.82 2jit h SER 925 Ca 0.26 0.04 -0.08 0.00 -1.23 0.00 0.00 61.79 60.78 2jit h SER 925 Cb 0.43 0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.49 2jit h SER 925 CO -0.58 -0.16 -0.07 0.16 -0.53 0.00 0.00 176.83 175.65 2jit h ILE 926 N -0.21 1.25 -0.19 2.23 3.07 -0.67 -0.93 117.51 122.05 2jit h ILE 926 Ca 0.02 -1.09 0.04 0.00 1.55 0.00 0.00 64.86 65.38 2jit h ILE 926 Cb 0.23 1.00 -0.04 0.00 -0.27 0.00 0.00 36.82 37.75 2jit h ILE 926 CO -0.07 0.37 -0.04 -0.07 -1.05 0.00 0.00 178.15 177.29 2jit h LEU 927 N 0.68 -0.17 -1.41 0.16 4.07 -1.12 -0.88 115.31 116.64 2jit h LEU 927 Ca 0.12 0.06 0.02 0.00 0.08 0.00 0.00 57.88 58.16 2jit h LEU 927 Cb 0.53 0.11 -0.03 0.00 1.08 0.00 0.00 40.66 42.35 2jit h LEU 927 CO 0.03 -0.06 0.41 -0.33 -1.08 0.00 0.00 178.44 177.41 2jit h GLU 928 N 0.01 0.76 0.00 1.13 5.08 -0.97 -0.29 114.58 120.30 2jit h GLU 928 Ca 0.09 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 2jit h GLU 928 Cb 0.14 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.22 2jit h GLU 928 CO -0.19 0.51 0.00 1.63 -1.00 0.00 0.00 179.01 179.95 2jit n LYS 929 N -4.45 0.19 -0.05 2.33 4.76 -0.42 -4.87 118.16 115.64 2jit n LYS 929 Ca 0.07 0.42 0.00 0.00 -2.87 0.00 0.00 58.31 55.93 2jit n LYS 929 Cb 0.09 -1.86 0.00 0.00 -1.84 0.00 0.00 35.03 31.42 2jit n LYS 929 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2jit n GLY 930 N -0.04 0.89 3.77 0.72 0.00 -0.12 -5.07 105.19 105.34 2jit n GLY 930 Ca 0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 2jit n GLY 930 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2jit s GLU 931 N -0.95 4.66 0.21 1.61 2.12 -0.72 -5.01 118.70 120.62 2jit s GLU 931 Ca 0.00 1.40 -0.03 0.00 0.36 0.00 0.00 54.97 56.70 2jit s GLU 931 Cb 0.00 -2.96 -0.03 0.00 0.26 0.00 0.00 34.13 31.40 2jit s GLU 931 CO 0.00 0.34 0.19 1.03 -0.54 0.00 0.00 175.26 176.28 2jit s ARG 932 N -1.76 1.27 0.28 4.30 3.00 -1.26 -4.19 118.95 120.60 2jit s ARG 932 Ca 0.47 -1.58 -0.30 0.00 0.00 0.00 0.00 55.73 54.32 2jit s ARG 932 Cb -0.22 0.30 -0.11 0.00 0.00 0.00 0.00 34.95 34.93 2jit s ARG 932 CO 0.27 -0.44 1.50 -0.51 0.00 0.00 0.00 175.30 176.13 2jit s LEU 933 N -3.14 4.36 0.95 2.53 1.43 -1.26 -4.98 118.68 118.57 2jit s LEU 933 Ca 0.36 2.83 -0.12 0.00 -1.03 0.00 0.00 54.13 56.18 2jit s LEU 933 Cb 0.06 -3.63 0.10 0.00 0.03 0.00 0.00 46.19 42.74 2jit s LEU 933 CO 0.12 -0.80 0.78 -0.81 0.23 0.00 0.00 176.35 175.87 2jit n PRO 934 N 2.00 -0.49 -2.59 1.29 -0.04 -1.26 -4.92 135.00 128.98 2jit n PRO 934 Ca 0.06 -0.09 -0.43 0.00 -0.04 0.00 0.00 63.50 63.01 2jit n PRO 934 Cb 0.39 -2.12 -0.02 0.00 -0.04 0.00 0.00 33.50 31.71 2jit n PRO 934 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 2jit s GLN 935 N -4.15 4.30 0.39 0.54 0.74 -1.26 -5.01 119.66 115.21 2jit s GLN 935 Ca 0.62 1.47 -0.27 0.00 0.05 0.00 0.00 55.36 57.23 2jit s GLN 935 Cb -0.22 -3.63 -0.11 0.00 1.10 0.00 0.00 33.01 30.15 2jit s GLN 935 CO 0.63 -0.55 1.34 -2.30 -0.55 0.00 0.00 175.29 173.86 2jit n PRO 936 N 5.94 2.21 -0.09 1.67 -0.02 -1.26 -4.93 135.00 138.51 2jit n PRO 936 Ca 0.11 0.78 -0.06 0.00 -2.02 0.00 0.00 63.50 62.31 2jit n PRO 936 Cb 0.46 -2.46 0.01 0.00 -0.02 0.00 0.00 33.50 31.50 2jit n PRO 936 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 2jit h PRO 937 N 2.47 0.14 0.00 0.52 0.11 -1.95 -0.45 132.00 132.84 2jit h PRO 937 Ca -0.48 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2jit h PRO 937 Cb 1.28 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2jit h PRO 937 CO 0.62 0.09 0.00 0.44 -0.21 0.00 0.00 178.00 178.94 2jit n ILE 938 N -5.12 0.94 -2.91 4.15 -5.35 -1.26 -4.77 119.36 105.04 2jit n ILE 938 Ca 0.01 0.23 -0.40 0.00 -0.27 0.00 0.00 62.75 62.32 2jit n ILE 938 Cb 0.15 -0.99 -0.05 0.00 -1.74 0.00 0.00 39.64 37.02 2jit n ILE 938 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2jit s THR 940 N 0.23 3.37 0.54 0.00 -4.23 -1.16 -4.85 115.64 109.55 2jit s THR 940 Ca 0.42 -0.03 0.31 0.00 -1.18 0.00 0.00 61.69 61.21 2jit s THR 940 Cb -0.21 -3.36 0.47 0.00 1.34 0.00 0.00 72.50 70.74 2jit s THR 940 CO 0.24 -0.38 1.90 -0.29 -0.54 0.00 0.00 174.62 175.55 2jit h ILE 941 N -0.28 0.56 -0.20 2.99 6.09 -1.97 -1.17 117.51 123.52 2jit h ILE 941 Ca -0.45 0.00 -0.11 0.00 -1.37 0.00 0.00 64.86 62.93 2jit h ILE 941 Cb 1.27 0.57 -0.01 0.00 0.47 0.00 0.00 36.82 39.11 2jit h ILE 941 CO 0.61 0.00 -0.33 0.44 -3.07 0.00 0.00 178.15 175.80 2jit h ASP 942 N 0.00 0.43 0.07 2.19 3.45 -1.91 -2.29 116.42 118.36 2jit h ASP 942 Ca 0.40 -0.16 -0.20 0.00 0.43 0.00 0.00 57.03 57.50 2jit h ASP 942 Cb 1.63 -0.12 -0.01 0.00 -0.56 0.00 0.00 39.33 40.27 2jit h ASP 942 CO -0.00 0.74 -1.00 0.58 -1.57 0.00 0.00 179.24 177.99 2jit h VAL 943 N 0.36 1.24 -0.99 -1.35 2.07 -1.53 -3.34 116.25 112.71 2jit h VAL 943 Ca 0.04 -2.37 0.13 0.00 0.82 0.00 0.00 66.70 65.32 2jit h VAL 943 Cb 0.76 2.83 -0.09 0.00 -1.52 0.00 0.00 31.29 33.27 2jit h VAL 943 CO 0.06 0.61 0.62 0.22 0.02 0.00 0.00 177.57 179.09 2jit h TYR 944 N -0.60 1.12 -0.77 1.57 -0.00 -1.40 -1.06 116.97 115.83 2jit h TYR 944 Ca -0.23 0.03 0.11 0.00 -0.00 0.00 0.00 58.73 58.65 2jit h TYR 944 Cb 1.49 -0.35 -0.08 0.00 -0.00 0.00 0.00 36.73 37.79 2jit h TYR 944 CO 0.16 0.42 0.38 1.98 -0.00 0.00 0.00 178.16 181.11 2jit h MET 945 N 0.96 0.59 -0.08 1.82 4.05 -1.53 0.29 114.93 121.02 2jit h MET 945 Ca 0.50 -0.04 0.01 0.00 -0.28 0.00 0.00 59.70 59.89 2jit h MET 945 Cb 0.52 -0.13 -0.01 0.00 -0.80 0.00 0.00 31.60 31.18 2jit h MET 945 CO -0.28 0.39 0.02 0.82 0.23 0.00 0.00 176.91 178.10 2jit h ILE 946 N 0.61 0.98 -0.25 1.77 2.04 -1.31 0.18 117.51 121.52 2jit h ILE 946 Ca 0.39 -0.02 0.04 0.00 1.00 0.00 0.00 64.86 66.28 2jit h ILE 946 Cb 0.47 0.91 -0.04 0.00 -0.74 0.00 0.00 36.82 37.42 2jit h ILE 946 CO -0.31 0.01 -0.01 0.24 0.00 0.00 0.00 178.15 178.08 2jit h MET 947 N 0.06 0.06 0.09 2.37 2.86 -0.97 -1.75 114.93 117.65 2jit h MET 947 Ca 0.04 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 2jit h MET 947 Cb 0.02 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.66 2jit h MET 947 CO -0.04 0.04 -0.10 0.28 1.06 0.00 0.00 176.91 178.15 2jit h VAL 948 N 0.06 0.77 -0.78 -2.22 2.07 -0.11 -0.52 116.25 115.51 2jit h VAL 948 Ca 0.12 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.82 2jit h VAL 948 Cb 0.16 0.77 -0.05 0.00 -1.52 0.00 0.00 31.29 30.65 2jit h VAL 948 CO -0.22 0.00 0.53 0.11 0.02 0.00 0.00 177.57 178.01 2jit h LYS 949 N -0.22 0.32 0.00 1.57 1.57 -0.78 0.97 116.57 120.00 2jit h LYS 949 Ca 0.01 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.73 2jit h LYS 949 Cb 0.22 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 2jit h LYS 949 CO -0.04 0.21 -0.17 0.00 -0.57 0.00 0.00 179.45 178.88 2jit n TRP 951 N -3.63 3.13 -2.88 0.00 8.01 0.33 -3.63 117.44 118.77 2jit n TRP 951 Ca -0.01 -2.83 -0.37 0.00 -1.31 0.00 0.00 57.50 52.97 2jit n TRP 951 Cb 0.30 -1.19 -0.06 0.00 -2.01 0.00 0.00 31.31 28.35 2jit n TRP 951 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.69 175.04 2jit s MET 952 N -3.79 4.51 0.12 -0.99 -1.94 -1.14 -4.98 119.30 111.09 2jit s MET 952 Ca 0.61 1.20 -0.18 0.00 -1.71 0.00 0.00 55.69 55.62 2jit s MET 952 Cb 0.48 -2.90 -0.04 0.00 2.01 0.00 0.00 34.83 34.39 2jit s MET 952 CO -0.03 0.35 1.67 0.82 -0.01 0.00 0.00 175.02 177.83 2jit h ILE 953 N 2.75 1.17 -1.24 2.53 1.08 -1.94 -3.33 117.51 118.53 2jit h ILE 953 Ca -0.47 -0.51 -0.40 0.00 -0.39 0.00 0.00 64.86 63.09 2jit h ILE 953 Cb 1.19 0.93 -0.05 0.00 -3.07 0.00 0.00 36.82 35.82 2jit h ILE 953 CO 0.65 0.18 1.02 -0.62 -0.69 0.00 0.00 178.15 178.70 2jit s ASP 954 N -5.71 5.40 0.18 1.72 3.68 -1.26 -4.89 116.67 115.79 2jit s ASP 954 Ca -0.13 -0.45 -0.14 0.00 2.13 0.00 0.00 52.55 53.96 2jit s ASP 954 Cb 0.09 -2.55 0.18 0.00 -1.45 0.00 0.00 42.92 39.19 2jit s ASP 954 CO 0.73 -2.44 1.23 0.00 0.13 0.00 0.00 175.17 174.82 2jit n ALA 955 N 12.75 -0.11 0.28 3.66 0.00 -1.25 0.53 120.51 136.37 2jit n ALA 955 Ca 0.31 0.78 0.03 0.00 0.00 0.00 0.00 53.44 54.57 2jit n ALA 955 Cb 0.49 -0.35 0.16 0.00 0.00 0.00 0.00 19.45 19.76 2jit n ALA 955 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2jit n ASP 956 N -5.16 0.00 -0.19 0.00 10.43 -1.26 -0.43 116.55 119.94 2jit n ASP 956 Ca 0.08 0.39 0.12 0.00 2.57 0.00 0.00 54.79 57.95 2jit n ASP 956 Cb 0.31 -0.43 0.18 0.00 1.84 0.00 0.00 41.12 43.03 2jit n ASP 956 CO 0.00 0.00 0.00 -1.20 -1.07 0.00 0.00 177.20 174.93 2jit n SER 957 N -1.43 1.08 -4.85 -2.24 7.64 0.19 -4.92 113.62 109.09 2jit n SER 957 Ca 0.02 -0.86 -0.31 0.00 1.01 0.00 0.00 58.87 58.73 2jit n SER 957 Cb 0.07 0.38 0.01 0.00 -1.01 0.00 0.00 64.21 63.67 2jit n SER 957 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2jit s ARG 958 N -2.71 3.48 1.10 1.43 0.52 0.42 -4.95 118.95 118.25 2jit s ARG 958 Ca 0.17 0.87 -0.12 0.00 -0.52 0.00 0.00 55.73 56.13 2jit s ARG 958 Cb 0.18 -2.06 0.25 0.00 0.52 0.00 0.00 34.95 33.83 2jit s ARG 958 CO 0.64 -0.66 1.03 -2.30 0.02 0.00 0.00 175.30 174.02 2jit n PRO 959 N -2.58 -1.87 -4.15 3.54 -0.02 -1.26 -5.02 135.00 123.64 2jit n PRO 959 Ca 0.07 -0.50 -0.33 0.00 -2.02 0.00 0.00 63.50 60.72 2jit n PRO 959 Cb 0.54 -2.22 -0.07 0.00 -0.02 0.00 0.00 33.50 31.72 2jit n PRO 959 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2jit s LYS 960 N -4.44 2.96 0.32 -0.52 -0.14 -1.26 -4.94 119.74 111.72 2jit s LYS 960 Ca 0.68 -0.55 0.05 0.00 -1.36 0.00 0.00 55.97 54.79 2jit s LYS 960 Cb -0.25 -2.79 0.69 0.00 -1.68 0.00 0.00 37.83 33.80 2jit s LYS 960 CO 0.63 0.63 1.87 0.74 -0.76 0.00 0.00 175.35 178.46 2jit h PHE 961 N 4.07 0.96 0.46 3.18 0.05 -1.95 0.55 116.94 124.27 2jit h PHE 961 Ca -0.49 0.03 -0.02 0.00 3.82 0.00 0.00 57.97 61.31 2jit h PHE 961 Cb 1.18 -0.31 0.00 0.00 2.00 0.00 0.00 35.95 38.83 2jit h PHE 961 CO 0.63 0.39 -0.22 0.07 -0.18 0.00 0.00 178.31 178.99 2jit h ARG 962 N 0.84 -0.60 -1.00 1.51 0.11 -1.95 -1.05 114.38 112.24 2jit h ARG 962 Ca 0.45 0.04 0.19 0.00 0.10 0.00 0.00 59.98 60.77 2jit h ARG 962 Cb 0.56 0.14 -0.10 0.00 1.11 0.00 0.00 29.97 31.67 2jit h ARG 962 CO -0.22 -0.40 0.61 0.93 0.10 0.00 0.00 179.97 181.00 2jit h GLU 963 N -0.63 0.73 -0.33 0.08 5.08 -1.70 -0.65 114.58 117.17 2jit h GLU 963 Ca -0.06 -0.04 -0.12 0.00 -1.00 0.00 0.00 59.36 58.13 2jit h GLU 963 Cb 0.48 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 2jit h GLU 963 CO 0.10 0.48 -0.28 -0.07 -1.00 0.00 0.00 179.01 178.25 2jit h LEU 964 N 0.75 0.70 -0.12 1.33 3.38 -0.35 -2.43 115.31 118.57 2jit h LEU 964 Ca 0.57 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 58.28 2jit h LEU 964 Cb 0.91 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 2jit h LEU 964 CO -0.37 0.94 0.08 0.40 0.09 0.00 0.00 178.44 179.58 2jit h ILE 965 N 0.59 1.03 0.00 1.22 2.04 0.18 -0.29 117.51 122.28 2jit h ILE 965 Ca 0.07 -0.06 -0.00 0.00 1.00 0.00 0.00 64.86 65.88 2jit h ILE 965 Cb 0.78 0.86 0.00 0.00 -0.74 0.00 0.00 36.82 37.71 2jit h ILE 965 CO 0.06 0.03 -0.00 0.16 0.00 0.00 0.00 178.15 178.40 2jit h ILE 966 N 0.16 1.25 0.09 -0.67 3.07 -1.39 0.59 117.51 120.61 2jit h ILE 966 Ca 0.04 -0.77 0.02 0.00 1.55 0.00 0.00 64.86 65.70 2jit h ILE 966 Cb -0.02 1.78 -0.03 0.00 -0.27 0.00 0.00 36.82 38.28 2jit h ILE 966 CO -0.01 0.20 -0.20 -0.08 -1.05 0.00 0.00 178.15 177.01 2jit h GLU 967 N -0.34 -0.36 0.00 0.16 4.81 -1.43 0.23 114.58 117.65 2jit h GLU 967 Ca -0.00 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 2jit h GLU 967 Cb 0.33 0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.79 2jit h GLU 967 CO 0.00 -0.24 0.00 0.74 -0.73 0.00 0.00 179.01 178.78 2jit h PHE 968 N -0.37 0.00 0.02 0.92 -1.00 -1.02 -1.98 116.94 113.50 2jit h PHE 968 Ca 0.03 0.00 -0.06 0.00 2.81 0.00 0.00 57.97 60.75 2jit h PHE 968 Cb 0.41 0.00 0.01 0.00 3.61 0.00 0.00 35.95 39.97 2jit h PHE 968 CO -0.21 0.00 -0.26 0.77 -1.61 0.00 0.00 178.31 177.00 2jit h SER 969 N 0.00 0.19 -0.72 2.17 0.02 0.11 -2.59 113.55 112.73 2jit h SER 969 Ca 0.00 -0.87 0.16 0.00 -0.84 0.00 0.00 61.79 60.24 2jit h SER 969 Cb 0.35 -0.06 -0.11 0.00 0.14 0.00 0.00 62.40 62.72 2jit h SER 969 CO 0.00 1.03 0.14 0.50 -1.14 0.00 0.00 176.83 177.37 2jit h LYS 970 N -0.63 0.23 -0.04 3.45 3.64 -0.34 -0.94 116.57 121.93 2jit h LYS 970 Ca -0.04 -0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.26 2jit h LYS 970 Cb 1.09 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.85 2jit h LYS 970 CO 0.05 0.15 -0.30 0.52 -2.27 0.00 0.00 179.45 177.60 2jit h MET 971 N 0.24 0.08 0.00 1.90 2.86 -1.33 -2.08 114.93 116.59 2jit h MET 971 Ca 0.40 -0.03 -0.04 0.00 -2.06 0.00 0.00 59.70 57.98 2jit h MET 971 Cb 0.68 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.33 2jit h MET 971 CO -0.52 0.38 -0.17 0.00 1.06 0.00 0.00 176.91 177.66 2jit h ALA 972 N 1.62 1.65 0.00 6.32 0.00 -0.76 0.11 119.26 128.21 2jit h ALA 972 Ca 0.01 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2jit h ALA 972 Cb 0.58 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2jit h ALA 972 CO 0.04 0.21 0.00 0.00 0.00 0.00 0.00 179.25 179.50 2jit h ARG 973 N 0.00 0.00 -0.82 0.00 3.08 -1.25 -3.32 114.38 112.07 2jit h ARG 973 Ca -0.00 0.00 -0.35 0.00 0.07 0.00 0.00 59.98 59.69 2jit h ARG 973 Cb 0.31 0.00 -0.24 0.00 0.08 0.00 0.00 29.97 30.12 2jit h ARG 973 CO 0.02 0.00 -0.75 -3.47 -1.07 0.00 0.00 179.97 174.71 2jit n ASP 974 N -2.30 -1.51 -0.31 7.04 2.03 0.35 -5.02 116.55 116.83 2jit n ASP 974 Ca 0.00 -3.14 0.01 0.00 0.52 0.00 0.00 54.79 52.18 2jit n ASP 974 Cb 0.13 0.84 0.15 0.00 -0.72 0.00 0.00 41.12 41.52 2jit n ASP 974 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 2jit h PRO 975 N 3.76 0.93 -0.04 -0.67 0.11 -1.56 -1.73 132.00 132.79 2jit h PRO 975 Ca -0.05 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.00 2jit h PRO 975 Cb 0.99 -0.21 -0.00 0.00 0.11 0.00 0.00 31.00 31.88 2jit h PRO 975 CO 0.36 0.61 -0.00 1.96 -0.21 0.00 0.00 178.00 180.72 2jit h GLN 976 N 0.96 0.06 0.00 1.05 4.20 -1.88 0.36 115.11 119.84 2jit h GLN 976 Ca 0.39 -0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.98 2jit h GLN 976 Cb 0.21 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.96 2jit h GLN 976 CO -0.19 0.07 -0.54 -0.09 -0.67 0.00 0.00 178.83 177.41 2jit h ARG 977 N 0.06 0.00 0.00 1.46 2.43 -1.68 -3.34 114.38 113.31 2jit h ARG 977 Ca 0.01 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 2jit h ARG 977 Cb 0.05 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.60 2jit h ARG 977 CO 0.00 0.54 -1.18 0.66 -1.51 0.00 0.00 179.97 178.49 2jit n TYR 978 N -3.60 0.00 -3.69 2.20 4.01 -0.36 -4.90 117.16 110.82 2jit n TYR 978 Ca -0.00 0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.48 2jit n TYR 978 Cb 0.61 -0.17 -0.17 0.00 -0.31 0.00 0.00 39.34 39.30 2jit n TYR 978 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 2jit s LEU 979 N -3.35 0.72 -0.98 7.72 1.02 0.11 -2.97 118.68 120.95 2jit s LEU 979 Ca -0.00 -0.56 -0.17 0.00 0.02 0.00 0.00 54.13 53.42 2jit s LEU 979 Cb 0.10 -0.42 0.15 0.00 0.02 0.00 0.00 46.19 46.05 2jit s LEU 979 CO 0.58 -0.30 1.15 -0.69 0.02 0.00 0.00 176.35 177.11 2jit s VAL 980 N 2.00 4.93 -0.21 -1.59 1.01 -0.54 -4.46 120.40 121.55 2jit s VAL 980 Ca 0.01 -1.96 -0.08 0.00 0.00 0.00 0.00 61.98 59.95 2jit s VAL 980 Cb -0.16 -4.77 -0.04 0.00 0.00 0.00 0.00 36.38 31.42 2jit s VAL 980 CO -0.07 -1.47 0.09 -0.63 0.00 0.00 0.00 175.10 173.02 2jit s ILE 981 N 2.04 4.86 -0.96 2.22 1.01 -1.26 -4.56 121.20 124.56 2jit s ILE 981 Ca 0.33 -0.00 -0.22 0.00 0.00 0.00 0.00 60.65 60.76 2jit s ILE 981 Cb -0.05 -3.22 -0.12 0.00 0.01 0.00 0.00 42.46 39.08 2jit s ILE 981 CO -0.07 0.41 1.93 1.67 0.00 0.00 0.00 174.94 178.87 2jit n GLN 982 N 3.94 1.64 0.00 2.79 -0.06 -1.26 -4.70 117.38 119.72 2jit n GLN 982 Ca -0.16 -2.15 0.00 0.00 -2.00 0.00 0.00 57.00 52.69 2jit n GLN 982 Cb 0.52 -3.25 0.00 0.00 -4.06 0.00 0.00 30.24 23.45 2jit n GLN 982 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2jit n GLY 983 N 5.02 2.09 2.65 1.69 0.00 -1.26 -5.08 105.19 110.30 2jit n GLY 983 Ca 0.48 -0.74 -0.03 0.00 0.00 0.00 0.00 46.02 45.74 2jit n GLY 983 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2jit n ASP 984 N 0.00 -1.05 0.00 1.61 -0.08 -1.26 -4.94 116.55 110.83 2jit n ASP 984 Ca 0.00 -1.57 0.00 0.00 -1.51 0.00 0.00 54.79 51.71 2jit n ASP 984 Cb 0.00 0.94 0.00 0.00 2.34 0.00 0.00 41.12 44.40 2jit n ASP 984 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 2jit n GLU 985 N 0.68 0.00 0.00 -0.67 1.02 -1.26 -5.21 120.64 115.20 2jit n GLU 985 Ca -0.06 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.08 2jit n GLU 985 Cb 0.76 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.18 2jit n GLU 985 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2jit n LEU 989 N 0.00 0.00 -4.12 -4.62 4.32 -1.26 -4.89 117.00 106.43 2jit n LEU 989 Ca 0.00 0.00 -0.36 0.00 -0.02 0.00 0.00 56.01 55.63 2jit n LEU 989 Cb 0.00 0.00 0.07 0.00 -1.62 0.00 0.00 43.42 41.87 2jit n LEU 989 CO 0.00 0.00 -1.18 -2.65 -1.22 0.00 0.00 177.39 172.34 2jit n PRO 990 N 0.00 -0.26 -3.68 3.23 -0.02 -1.26 -5.02 135.00 127.99 2jit n PRO 990 Ca 0.00 -0.06 -0.26 0.00 -2.02 0.00 0.00 63.50 61.16 2jit n PRO 990 Cb 0.00 -1.26 -0.17 0.00 -0.02 0.00 0.00 33.50 32.05 2jit n PRO 990 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2jit s THR 993 N -2.11 0.17 0.00 3.45 -4.23 -1.26 -5.22 115.64 106.45 2jit s THR 993 Ca 0.44 -0.19 0.00 0.00 -1.18 0.00 0.00 61.69 60.76 2jit s THR 993 Cb -0.11 -0.67 0.00 0.00 1.34 0.00 0.00 72.50 73.06 2jit s THR 993 CO 0.74 -0.14 0.00 0.47 -0.54 0.00 0.00 174.62 175.15 2jit n ASP 994 N 5.19 0.84 0.00 3.99 9.92 -1.26 -5.10 116.55 130.13 2jit n ASP 994 Ca -0.07 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.19 2jit n ASP 994 Cb 0.49 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.97 2jit n ASP 994 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 2jit n SER 995 N 0.00 0.00 0.22 -2.24 2.88 -1.26 -4.74 113.62 108.48 2jit n SER 995 Ca 0.00 0.00 0.02 0.00 -1.33 0.00 0.00 58.87 57.56 2jit n SER 995 Cb 0.00 0.00 0.13 0.00 -0.75 0.00 0.00 64.21 63.59 2jit n SER 995 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 2jit h ASN 996 N 0.00 0.00 0.17 -3.46 2.35 -1.97 4.34 115.58 117.02 2jit h ASN 996 Ca 0.00 0.00 -0.27 0.00 -0.55 0.00 0.00 56.30 55.48 2jit h ASN 996 Cb 0.00 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.39 2jit h ASN 996 CO 0.00 0.00 -1.26 0.15 -1.65 0.00 0.00 177.43 174.67 2jit h PHE 997 N 0.00 0.67 0.21 1.19 3.04 -1.92 -2.24 116.94 117.88 2jit h PHE 997 Ca 0.00 -0.49 -0.01 0.00 3.98 0.00 0.00 57.97 61.45 2jit h PHE 997 Cb 1.39 -0.03 0.00 0.00 2.56 0.00 0.00 35.95 39.87 2jit h PHE 997 CO 0.00 1.49 -0.10 -0.92 -2.02 0.00 0.00 178.31 176.76 2jit h TYR 998 N -0.15 -0.26 0.00 0.41 -0.00 0.81 -3.22 116.97 114.56 2jit h TYR 998 Ca -0.24 -0.01 0.00 0.00 -0.00 0.00 0.00 58.73 58.49 2jit h TYR 998 Cb 1.87 0.09 0.00 0.00 -0.00 0.00 0.00 36.73 38.69 2jit h TYR 998 CO 0.15 0.09 0.00 0.54 -0.00 0.00 0.00 178.16 178.94 2jit n ARG 999 N -5.05 0.00 0.00 1.82 3.00 0.14 -3.37 116.66 113.19 2jit n ARG 999 Ca -0.09 0.07 0.00 0.00 -0.01 0.00 0.00 57.85 57.82 2jit n ARG 999 Cb 0.24 -0.60 0.00 0.00 0.00 0.00 0.00 32.46 32.11 2jit n ARG 999 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2jit n ALA 1000N -2.59 0.00 -1.44 7.54 0.00 -0.84 -2.26 120.51 120.91 2jit n ALA 1000Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 53.44 52.98 2jit n ALA 1000Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.33 2jit n ALA 1000CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 2jit n LEU 1001N 0.00 0.88 0.00 0.00 -0.00 -1.21 0.33 117.00 116.99 2jit n LEU 1001Ca 0.00 0.23 0.00 0.00 -0.00 0.00 0.00 56.01 56.24 2jit n LEU 1001Cb 0.00 -1.04 0.00 0.00 -0.00 0.00 0.00 43.42 42.38 2jit n LEU 1001CO 0.00 -0.84 0.00 0.23 -0.00 0.00 0.00 177.39 176.78 2jit n MET 1002N 8.30 0.00 0.00 1.47 2.00 -0.96 -4.79 117.12 123.15 2jit n MET 1002Ca 0.57 0.00 0.00 0.00 0.00 0.00 0.00 57.70 58.27 2jit n MET 1002Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.33 2jit n MET 1002CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 2jit n ASP 1003N 0.00 0.00 0.00 7.83 10.43 0.99 -5.13 116.55 130.67 2jit n ASP 1003Ca 0.00 0.54 0.11 0.00 2.57 0.00 0.00 54.79 58.01 2jit n ASP 1003Cb 0.00 -0.39 0.47 0.00 1.84 0.00 0.00 41.12 43.05 2jit n ASP 1003CO 0.00 0.00 0.00 -1.84 -1.07 0.00 0.00 177.20 174.29 2jit n GLU 1004N -1.66 0.00 0.00 -1.24 0.28 -0.82 -5.04 120.64 112.16 2jit n GLU 1004Ca 0.00 0.12 0.00 0.00 -0.16 0.00 0.00 57.16 57.12 2jit n GLU 1004Cb 0.00 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 31.37 2jit n GLU 1004CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 177.13 178.30 2jit n VAL 1010N -1.50 0.00 -3.42 3.84 0.24 -1.26 -4.99 118.33 111.24 2jit n VAL 1010Ca 0.05 0.00 -0.20 0.00 -2.04 0.00 0.00 64.34 62.16 2jit n VAL 1010Cb 0.26 0.00 -0.02 0.00 -1.47 0.00 0.00 33.84 32.61 2jit n VAL 1010CO 0.00 0.00 0.00 0.68 -2.14 0.00 0.00 176.83 175.37 2jit s VAL 1011N 0.00 2.84 -0.15 3.34 -7.23 -0.79 -4.91 120.40 113.50 2jit s VAL 1011Ca 0.00 -1.24 -0.17 0.00 -1.81 0.00 0.00 61.98 58.76 2jit s VAL 1011Cb 0.00 -3.02 -0.04 0.00 0.56 0.00 0.00 36.38 33.88 2jit s VAL 1011CO 0.00 -0.01 0.44 -0.62 -0.31 0.00 0.00 175.10 174.59 2jit s ASP 1012N -4.18 6.58 0.29 4.85 3.68 -1.26 -4.42 116.67 122.20 2jit s ASP 1012Ca 0.50 0.69 0.03 0.00 2.13 0.00 0.00 52.55 55.89 2jit s ASP 1012Cb -0.05 -2.26 0.70 0.00 -1.45 0.00 0.00 42.92 39.85 2jit s ASP 1012CO 0.29 -0.02 1.69 0.00 0.13 0.00 0.00 175.17 177.26 2jit h ALA 1013N 6.94 1.36 -0.02 3.66 0.00 -1.94 -1.25 119.26 128.02 2jit h ALA 1013Ca -0.39 0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.71 2jit h ALA 1013Cb 1.17 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 19.12 2jit h ALA 1013CO 0.75 -0.36 -0.09 -0.44 0.00 0.00 0.00 179.25 179.11 2jit h ASP 1014N 0.36 -0.26 -0.01 0.00 3.45 -1.96 0.01 116.42 118.00 2jit h ASP 1014Ca 0.54 0.04 0.03 0.00 0.43 0.00 0.00 57.03 58.08 2jit h ASP 1014Cb 1.03 0.12 -0.05 0.00 -0.56 0.00 0.00 39.33 39.87 2jit h ASP 1014CO -0.55 -0.13 -0.35 -0.33 -1.57 0.00 0.00 179.24 176.32 2jit h GLU 1015N -0.15 -0.48 -0.92 3.56 4.39 -1.69 -0.75 114.58 118.55 2jit h GLU 1015Ca 0.04 0.03 0.14 0.00 0.34 0.00 0.00 59.36 59.91 2jit h GLU 1015Cb 0.20 0.11 -0.07 0.00 -0.10 0.00 0.00 28.75 28.89 2jit h GLU 1015CO -0.11 -0.32 0.59 -0.92 -1.16 0.00 0.00 179.01 177.09 2jit h TYR 1016N -0.50 0.91 0.00 4.33 5.03 -0.98 -0.10 116.97 125.65 2jit h TYR 1016Ca 0.06 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.40 2jit h TYR 1016Cb 0.59 -0.29 0.00 0.00 1.55 0.00 0.00 36.73 38.58 2jit h TYR 1016CO -0.37 0.34 -0.15 1.28 -1.32 0.00 0.00 178.16 177.94 2jit n LEU 1017N -4.58 0.29 0.00 2.82 4.77 -0.04 -5.10 117.00 115.16 2jit n LEU 1017Ca 0.18 0.39 0.00 0.00 -0.03 0.00 0.00 56.01 56.55 2jit n LEU 1017Cb 0.44 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 2jit n LEU 1017CO 0.29 -0.01 0.12 -0.38 -1.33 0.00 0.00 177.39 176.08