#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n7e s ALA 668 N 0.00 3.46 -0.34 4.61 0.00 -1.26 -5.00 121.76 123.23 1n7e s ALA 668 Ca 0.00 1.02 -0.10 0.00 0.00 0.00 0.00 51.96 52.89 1n7e s ALA 668 Cb 0.00 -3.42 0.01 0.00 0.00 0.00 0.00 23.12 19.71 1n7e s ALA 668 CO 0.00 -0.41 0.17 0.42 0.00 0.00 0.00 175.76 175.94 1n7e s ILE 669 N -0.42 4.50 -0.12 0.00 -1.09 -1.26 -5.03 121.20 117.78 1n7e s ILE 669 Ca 0.51 -0.68 0.02 0.00 -2.23 0.00 0.00 60.65 58.27 1n7e s ILE 669 Cb -0.34 -3.41 0.01 0.00 -1.58 0.00 0.00 42.46 37.13 1n7e s ILE 669 CO 0.40 -0.09 -0.20 -0.63 -1.23 0.00 0.00 174.94 173.20 1n7e s ILE 670 N 1.57 1.84 0.14 2.92 1.01 -1.26 -0.29 121.20 127.13 1n7e s ILE 670 Ca 0.03 -0.86 -0.01 0.00 0.00 0.00 0.00 60.65 59.81 1n7e s ILE 670 Cb -0.18 -1.63 -0.04 0.00 0.01 0.00 0.00 42.46 40.62 1n7e s ILE 670 CO 0.06 0.51 0.07 -0.72 0.00 0.00 0.00 174.94 174.85 1n7e s TYR 671 N 0.78 0.92 -0.00 3.97 -0.85 -0.25 -4.98 117.35 116.94 1n7e s TYR 671 Ca -0.09 -1.26 0.07 0.00 -0.52 0.00 0.00 57.07 55.27 1n7e s TYR 671 Cb -0.16 -0.50 -0.02 0.00 0.38 0.00 0.00 41.96 41.66 1n7e s TYR 671 CO 0.00 -0.53 -0.21 0.99 -1.52 0.00 0.00 175.55 174.29 1n7e s THR 672 N -4.06 1.63 -0.02 -3.49 2.01 -1.26 -0.44 115.64 110.01 1n7e s THR 672 Ca 0.27 -0.95 0.04 0.00 0.31 0.00 0.00 61.69 61.36 1n7e s THR 672 Cb 0.07 -1.37 -0.01 0.00 0.01 0.00 0.00 72.50 71.21 1n7e s THR 672 CO 0.04 0.40 -0.15 0.68 -0.69 0.00 0.00 174.62 174.90 1n7e s VAL 673 N -0.55 1.21 -0.19 3.82 -7.23 -0.40 -4.97 120.40 112.08 1n7e s VAL 673 Ca 0.08 -0.63 -0.02 0.00 -1.81 0.00 0.00 61.98 59.60 1n7e s VAL 673 Cb -0.08 -1.03 -0.00 0.00 0.56 0.00 0.00 36.38 35.83 1n7e s VAL 673 CO -0.00 0.35 -0.10 -0.70 -0.31 0.00 0.00 175.10 174.33 1n7e s GLU 674 N -0.18 3.27 0.01 4.82 2.12 -1.26 -0.28 118.70 127.20 1n7e s GLU 674 Ca 0.02 -0.69 0.07 0.00 0.36 0.00 0.00 54.97 54.73 1n7e s GLU 674 Cb -0.08 -2.82 -0.03 0.00 0.26 0.00 0.00 34.13 31.47 1n7e s GLU 674 CO 0.00 -0.12 -0.20 -0.51 -0.54 0.00 0.00 175.26 173.89 1n7e s LEU 675 N 1.22 2.46 -0.38 2.70 1.43 0.22 -4.95 118.68 121.38 1n7e s LEU 675 Ca 0.02 -0.41 -0.08 0.00 -1.03 0.00 0.00 54.13 52.63 1n7e s LEU 675 Cb -0.14 -1.46 0.06 0.00 0.03 0.00 0.00 46.19 44.69 1n7e s LEU 675 CO -0.04 0.29 0.19 -0.75 0.23 0.00 0.00 176.35 176.27 1n7e s LYS 676 N -1.10 2.57 0.00 1.70 2.20 -1.26 -0.55 119.74 123.30 1n7e s LYS 676 Ca 0.13 -1.36 0.28 0.00 -0.36 0.00 0.00 55.97 54.66 1n7e s LYS 676 Cb -0.10 -3.64 1.10 0.00 -1.51 0.00 0.00 37.83 33.67 1n7e s LYS 676 CO 0.03 -0.84 1.80 2.89 -0.36 0.00 0.00 175.35 178.87 1n7e n ARG 677 N 4.86 0.32 -4.00 4.03 1.85 -0.39 -4.99 116.66 118.33 1n7e n ARG 677 Ca -0.10 -0.10 -0.40 0.00 -1.00 0.00 0.00 57.85 56.25 1n7e n ARG 677 Cb 0.44 -1.50 0.01 0.00 -1.05 0.00 0.00 32.46 30.36 1n7e n ARG 677 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 1n7e n TYR 678 N -1.26 -1.54 -0.44 2.89 4.02 -1.25 0.53 117.16 120.12 1n7e n TYR 678 Ca 0.10 0.28 0.00 0.00 -0.01 0.00 0.00 57.90 58.27 1n7e n TYR 678 Cb 0.31 -2.70 0.00 0.00 -0.02 0.00 0.00 39.34 36.93 1n7e n TYR 678 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1n7e n GLY 679 N -1.95 0.66 3.97 2.72 0.00 -1.26 -4.95 105.19 104.38 1n7e n GLY 679 Ca -0.18 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.62 1n7e n GLY 679 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1n7e s GLY 680 N -2.00 2.03 0.70 -0.02 0.00 0.19 -5.12 107.32 103.09 1n7e s GLY 680 Ca 0.00 -1.76 -0.09 0.00 0.00 0.00 0.00 44.72 42.88 1n7e s GLY 680 CO 0.00 -1.77 1.04 2.56 0.00 0.00 0.00 173.10 174.93 1n7e s PRO 681 N -4.44 2.45 0.21 2.90 0.04 -1.26 -4.75 135.00 130.14 1n7e s PRO 681 Ca 0.49 0.03 0.11 0.00 0.04 0.00 0.00 61.00 61.67 1n7e s PRO 681 Cb -0.04 -2.12 -0.02 0.00 0.04 0.00 0.00 34.50 32.36 1n7e s PRO 681 CO 0.31 -1.15 1.39 -0.07 0.04 0.00 0.00 177.00 177.52 1n7e h LEU 682 N -0.61 0.00 -0.47 -3.56 3.38 -2.00 -3.41 115.31 108.64 1n7e h LEU 682 Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.52 1n7e h LEU 682 Cb 1.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.04 1n7e h LEU 682 CO 0.62 0.75 0.00 0.61 0.09 0.00 0.00 178.44 180.51 1n7e n GLY 683 N 1.18 0.76 3.13 0.83 0.00 -1.26 -0.23 105.19 109.60 1n7e n GLY 683 Ca 0.01 -0.70 -0.27 0.00 0.00 0.00 0.00 46.02 45.06 1n7e n GLY 683 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1n7e s ILE 684 N -2.47 1.48 -0.16 -0.61 1.01 -1.26 -1.52 121.20 117.66 1n7e s ILE 684 Ca 0.00 -0.73 -0.02 0.00 0.00 0.00 0.00 60.65 59.91 1n7e s ILE 684 Cb 0.00 -1.29 -0.01 0.00 0.01 0.00 0.00 42.46 41.17 1n7e s ILE 684 CO 0.00 0.43 -0.10 -0.89 0.00 0.00 0.00 174.94 174.38 1n7e s THR 685 N 0.19 3.19 0.16 2.92 2.01 0.29 -4.97 115.64 119.44 1n7e s THR 685 Ca -0.08 -0.59 0.08 0.00 0.31 0.00 0.00 61.69 61.40 1n7e s THR 685 Cb -0.13 -2.38 -0.04 0.00 0.01 0.00 0.00 72.50 69.95 1n7e s THR 685 CO 0.03 0.49 -0.03 0.27 -0.69 0.00 0.00 174.62 174.69 1n7e s ILE 686 N 0.74 3.58 0.18 1.82 -4.36 -1.26 -0.50 121.20 121.40 1n7e s ILE 686 Ca -0.04 -1.44 0.08 0.00 -0.26 0.00 0.00 60.65 58.98 1n7e s ILE 686 Cb -0.15 -2.78 -0.04 0.00 1.25 0.00 0.00 42.46 40.74 1n7e s ILE 686 CO 0.02 -0.08 -0.16 -0.44 0.24 0.00 0.00 174.94 174.52 1n7e s SER 687 N -2.82 2.56 0.00 4.36 0.01 0.14 -4.81 113.70 113.15 1n7e s SER 687 Ca 0.26 -0.91 0.00 0.00 1.31 0.00 0.00 55.95 56.61 1n7e s SER 687 Cb -0.09 -0.14 0.00 0.00 0.21 0.00 0.00 66.02 66.00 1n7e s SER 687 CO 0.17 -0.10 0.00 0.61 0.41 0.00 0.00 173.24 174.34 1n7e n GLY 688 N 0.07 -0.93 0.93 3.44 0.00 -1.26 -1.06 105.19 106.38 1n7e n GLY 688 Ca -0.11 -0.99 -0.05 0.00 0.00 0.00 0.00 46.02 44.86 1n7e n GLY 688 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1n7e n THR 689 N 5.56 0.00 0.95 2.61 -2.24 -1.26 -4.94 114.28 114.96 1n7e n THR 689 Ca 0.00 -0.65 0.11 0.00 -2.27 0.00 0.00 64.05 61.24 1n7e n THR 689 Cb 0.00 0.34 0.31 0.00 -2.10 0.00 0.00 70.33 68.89 1n7e n THR 689 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1n7e n GLU 690 N -0.18 2.00 -2.29 -0.78 -0.58 -1.26 -0.65 120.64 116.91 1n7e n GLU 690 Ca 0.02 -1.50 -0.43 0.00 -0.42 0.00 0.00 57.16 54.83 1n7e n GLU 690 Cb 0.17 -1.44 -0.02 0.00 -0.57 0.00 0.00 31.44 29.58 1n7e n GLU 690 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 1n7e s GLU 691 N -1.73 3.97 0.27 3.49 2.56 -1.26 -4.67 118.70 121.33 1n7e s GLU 691 Ca 0.34 1.56 0.08 0.00 0.00 0.00 0.00 54.97 56.94 1n7e s GLU 691 Cb 0.19 -3.91 0.81 0.00 2.00 0.00 0.00 34.13 33.22 1n7e s GLU 691 CO 0.28 -1.06 1.27 -2.30 -0.56 0.00 0.00 175.26 172.89 1n7e n PRO 692 N 7.25 -0.06 -0.56 4.30 -0.02 -1.26 -1.46 135.00 143.18 1n7e n PRO 692 Ca 0.16 1.17 0.09 0.00 -2.02 0.00 0.00 63.50 62.90 1n7e n PRO 692 Cb 0.45 -1.96 0.34 0.00 -0.02 0.00 0.00 33.50 32.32 1n7e n PRO 692 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1n7e n PHE 693 N -5.02 1.36 -2.62 6.00 3.01 -1.26 -1.48 117.46 117.45 1n7e n PHE 693 Ca 0.24 -0.62 -0.33 0.00 1.01 0.00 0.00 57.45 57.75 1n7e n PHE 693 Cb 0.79 -0.22 -0.05 0.00 -0.01 0.00 0.00 39.48 39.99 1n7e n PHE 693 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1n7e s ASP 694 N -0.99 6.59 0.53 4.37 -0.00 -0.54 -4.91 116.67 121.72 1n7e s ASP 694 Ca 0.49 1.80 -0.17 0.00 -0.00 0.00 0.00 52.55 54.66 1n7e s ASP 694 Cb 0.31 -2.55 -0.07 0.00 -0.00 0.00 0.00 42.92 40.62 1n7e s ASP 694 CO 0.24 -0.61 1.01 -2.16 -0.00 0.00 0.00 175.17 173.65 1n7e s PRO 695 N -3.32 3.77 -0.35 8.23 0.04 -1.26 -4.91 135.00 137.20 1n7e s PRO 695 Ca 0.64 1.10 -0.13 0.00 0.04 0.00 0.00 61.00 62.65 1n7e s PRO 695 Cb -0.13 -2.10 -0.01 0.00 0.04 0.00 0.00 34.50 32.30 1n7e s PRO 695 CO 0.19 -0.43 0.25 0.42 0.04 0.00 0.00 177.00 177.47 1n7e s ILE 696 N -2.44 5.28 -0.04 0.56 -1.09 -1.26 -4.54 121.20 117.68 1n7e s ILE 696 Ca 0.62 -0.28 0.01 0.00 -2.23 0.00 0.00 60.65 58.77 1n7e s ILE 696 Cb -0.12 -3.74 -0.03 0.00 -1.58 0.00 0.00 42.46 36.98 1n7e s ILE 696 CO 0.29 -0.05 -0.04 -0.63 -1.23 0.00 0.00 174.94 173.28 1n7e s ILE 697 N 1.72 3.87 -0.50 2.92 -1.09 -0.22 -1.00 121.20 126.89 1n7e s ILE 697 Ca 0.06 -0.56 -0.29 0.00 -2.23 0.00 0.00 60.65 57.64 1n7e s ILE 697 Cb -0.18 -2.65 0.02 0.00 -1.58 0.00 0.00 42.46 38.08 1n7e s ILE 697 CO 0.10 0.50 1.24 -0.63 -1.23 0.00 0.00 174.94 174.92 1n7e s ILE 698 N -0.93 4.05 -0.05 2.92 1.01 -0.42 0.24 121.20 128.01 1n7e s ILE 698 Ca 0.15 1.02 0.08 0.00 0.00 0.00 0.00 60.65 61.91 1n7e s ILE 698 Cb -0.11 -4.55 -0.24 0.00 0.01 0.00 0.00 42.46 37.57 1n7e s ILE 698 CO 0.05 -1.08 0.63 0.77 0.00 0.00 0.00 174.94 175.32 1n7e h SER 699 N 9.80 0.09 -5.00 3.58 4.64 -1.11 0.23 113.55 125.78 1n7e h SER 699 Ca -0.25 -0.20 0.04 0.00 -0.47 0.00 0.00 61.79 60.92 1n7e h SER 699 Cb 1.07 -0.03 -0.08 0.00 -0.31 0.00 0.00 62.40 63.05 1n7e h SER 699 CO 1.14 1.18 0.25 -0.94 -0.87 0.00 0.00 176.83 177.59 1n7e s SER 700 N -6.32 -0.38 0.04 4.97 1.04 -1.06 -4.79 113.70 107.20 1n7e s SER 700 Ca -0.08 -0.33 0.06 0.00 0.48 0.00 0.00 55.95 56.09 1n7e s SER 700 Cb 0.08 0.65 -0.02 0.00 0.10 0.00 0.00 66.02 66.82 1n7e s SER 700 CO 0.82 -1.14 -0.18 -0.76 0.98 0.00 0.00 173.24 172.96 1n7e s LEU 701 N -2.83 2.16 -0.00 2.42 1.43 -1.26 -0.55 118.68 120.04 1n7e s LEU 701 Ca 0.07 -0.48 -0.30 0.00 -1.03 0.00 0.00 54.13 52.39 1n7e s LEU 701 Cb -0.03 -0.83 -0.05 0.00 0.03 0.00 0.00 46.19 45.31 1n7e s LEU 701 CO -0.02 0.12 1.28 -0.89 0.23 0.00 0.00 176.35 177.07 1n7e s THR 702 N -0.78 3.96 0.04 5.49 2.01 -0.58 -4.94 115.64 120.84 1n7e s THR 702 Ca 0.05 1.35 -0.30 0.00 0.31 0.00 0.00 61.69 63.10 1n7e s THR 702 Cb -0.08 -3.87 -0.08 0.00 0.01 0.00 0.00 72.50 68.48 1n7e s THR 702 CO 0.01 0.02 1.84 -0.75 -0.69 0.00 0.00 174.62 175.06 1n7e s LYS 703 N 1.99 4.16 0.00 4.92 2.20 -1.26 -0.61 119.74 131.14 1n7e s LYS 703 Ca 0.60 2.49 0.00 0.00 -0.36 0.00 0.00 55.97 58.69 1n7e s LYS 703 Cb -0.29 -3.96 0.00 0.00 -1.51 0.00 0.00 37.83 32.07 1n7e s LYS 703 CO 0.25 -0.89 0.00 0.41 -0.36 0.00 0.00 175.35 174.77 1n7e n GLY 704 N 4.34 0.81 3.80 5.54 0.00 -1.26 -5.04 105.19 113.37 1n7e n GLY 704 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 1n7e n GLY 704 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1n7e s GLY 705 N -1.68 1.61 0.08 -0.02 0.00 0.22 -4.83 107.32 102.71 1n7e s GLY 705 Ca 0.00 -0.71 -0.25 0.00 0.00 0.00 0.00 44.72 43.76 1n7e s GLY 705 CO 0.00 -0.08 1.70 -2.00 0.00 0.00 0.00 173.10 172.72 1n7e h LEU 706 N -1.62 -0.14 -0.35 0.66 5.85 -1.79 -1.66 115.31 116.26 1n7e h LEU 706 Ca -0.48 -0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.30 1n7e h LEU 706 Cb 1.31 0.04 -0.07 0.00 0.37 0.00 0.00 40.66 42.30 1n7e h LEU 706 CO 0.55 -0.08 -0.15 0.00 -0.34 0.00 0.00 178.44 178.42 1n7e h ALA 707 N 0.69 0.13 -0.70 1.25 0.00 -0.85 -1.76 119.26 118.03 1n7e h ALA 707 Ca -0.02 0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1n7e h ALA 707 Cb 0.14 0.38 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 1n7e h ALA 707 CO 0.03 -0.53 0.34 1.49 0.00 0.00 0.00 179.25 180.58 1n7e h GLU 708 N -0.09 1.00 0.00 0.00 4.81 -1.78 -2.81 114.58 115.71 1n7e h GLU 708 Ca 0.18 -0.15 -0.02 0.00 -0.13 0.00 0.00 59.36 59.24 1n7e h GLU 708 Cb 0.35 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.55 1n7e h GLU 708 CO -0.41 0.79 -0.10 0.00 -0.73 0.00 0.00 179.01 178.57 1n7e h ARG 709 N 0.97 0.00 0.02 1.92 3.08 -0.53 -2.11 114.38 117.73 1n7e h ARG 709 Ca 0.24 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 60.09 1n7e h ARG 709 Cb 0.11 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 1n7e h ARG 709 CO -0.03 0.10 -0.92 1.79 -1.07 0.00 0.00 179.97 179.83 1n7e h THR 710 N 0.00 1.55 -0.14 2.04 1.35 -1.10 -3.47 112.91 113.13 1n7e h THR 710 Ca -0.00 -2.82 -0.06 0.00 -0.55 0.00 0.00 66.41 62.97 1n7e h THR 710 Cb 0.19 2.58 -0.02 0.00 -1.73 0.00 0.00 68.15 69.17 1n7e h THR 710 CO 0.01 0.82 -0.06 0.61 -0.25 0.00 0.00 175.52 176.65 1n7e n GLY 711 N 1.01 0.56 0.82 5.82 0.00 -0.80 -4.88 105.19 107.73 1n7e n GLY 711 Ca -0.03 -0.25 0.09 0.00 0.00 0.00 0.00 46.02 45.83 1n7e n GLY 711 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n7e n ALA 712 N 1.06 2.42 -3.36 4.61 0.00 -1.26 -4.90 120.51 119.07 1n7e n ALA 712 Ca -0.03 -0.81 -0.28 0.00 0.00 0.00 0.00 53.44 52.32 1n7e n ALA 712 Cb 0.22 -0.65 -0.17 0.00 0.00 0.00 0.00 19.45 18.85 1n7e n ALA 712 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1n7e s ILE 713 N -1.38 1.57 0.03 0.00 -1.09 -1.26 -5.01 121.20 114.05 1n7e s ILE 713 Ca 0.26 -0.73 0.05 0.00 -2.23 0.00 0.00 60.65 58.00 1n7e s ILE 713 Cb 0.17 -1.39 -0.02 0.00 -1.58 0.00 0.00 42.46 39.64 1n7e s ILE 713 CO 0.24 0.45 -0.15 -1.00 -1.23 0.00 0.00 174.94 173.25 1n7e s HIS 714 N 0.53 1.32 0.30 3.97 3.76 -1.26 -4.83 115.29 119.08 1n7e s HIS 714 Ca -0.16 -0.33 -0.30 0.00 -0.15 0.00 0.00 55.06 54.12 1n7e s HIS 714 Cb -0.17 -0.79 -0.11 0.00 1.11 0.00 0.00 32.58 32.62 1n7e s HIS 714 CO 0.06 0.03 1.54 0.42 -0.85 0.00 0.00 174.74 175.94 1n7e s ILE 715 N -0.74 2.17 0.00 0.60 1.01 -1.26 -2.56 121.20 120.41 1n7e s ILE 715 Ca 0.03 0.15 0.00 0.00 0.00 0.00 0.00 60.65 60.83 1n7e s ILE 715 Cb -0.07 -3.09 0.00 0.00 0.01 0.00 0.00 42.46 39.30 1n7e s ILE 715 CO 0.01 0.03 0.00 0.61 0.00 0.00 0.00 174.94 175.59 1n7e n GLY 716 N 1.81 3.17 3.82 6.18 0.00 0.81 -5.00 105.19 115.99 1n7e n GLY 716 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 1n7e n GLY 716 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1n7e s ASP 717 N -0.23 5.68 0.03 1.61 1.01 -1.06 -4.42 116.67 119.29 1n7e s ASP 717 Ca 0.00 1.63 0.03 0.00 0.71 0.00 0.00 52.55 54.93 1n7e s ASP 717 Cb 0.00 -2.50 -0.04 0.00 1.01 0.00 0.00 42.92 41.39 1n7e s ASP 717 CO 0.00 -1.24 -0.04 0.00 0.21 0.00 0.00 175.17 174.10 1n7e s ARG 718 N -4.77 2.57 -0.28 8.23 1.70 -0.88 -1.30 118.95 124.22 1n7e s ARG 718 Ca 0.59 -0.75 -0.17 0.00 -0.47 0.00 0.00 55.73 54.93 1n7e s ARG 718 Cb -0.14 -2.53 -0.03 0.00 -0.57 0.00 0.00 34.95 31.68 1n7e s ARG 718 CO 0.49 0.59 0.48 0.42 -1.08 0.00 0.00 175.30 176.20 1n7e s ILE 719 N -1.11 5.09 -0.12 4.99 1.01 -0.17 -1.31 121.20 129.58 1n7e s ILE 719 Ca 0.20 0.73 0.17 0.00 0.00 0.00 0.00 60.65 61.75 1n7e s ILE 719 Cb -0.11 -3.82 -0.16 0.00 0.01 0.00 0.00 42.46 38.38 1n7e s ILE 719 CO 0.11 0.06 0.72 0.18 0.00 0.00 0.00 174.94 176.01 1n7e n LEU 720 N 5.52 0.71 -3.53 2.97 4.77 0.89 -4.50 117.00 123.84 1n7e n LEU 720 Ca -0.05 0.31 -0.17 0.00 -0.03 0.00 0.00 56.01 56.07 1n7e n LEU 720 Cb 0.50 0.11 -0.06 0.00 -2.33 0.00 0.00 43.42 41.64 1n7e n LEU 720 CO 0.40 0.17 0.40 0.00 -1.33 0.00 0.00 177.39 177.03 1n7e s ALA 721 N -2.93 -1.66 -0.12 -1.18 0.00 -1.19 -0.86 121.76 113.83 1n7e s ALA 721 Ca -0.04 1.11 0.00 0.00 0.00 0.00 0.00 51.96 53.03 1n7e s ALA 721 Cb 0.09 0.14 0.02 0.00 0.00 0.00 0.00 23.12 23.37 1n7e s ALA 721 CO 0.82 -0.42 -0.10 0.42 0.00 0.00 0.00 175.76 176.48 1n7e s ILE 722 N -1.60 1.19 -1.44 0.00 1.01 -0.36 -1.48 121.20 118.52 1n7e s ILE 722 Ca -0.09 -0.40 -0.07 0.00 0.00 0.00 0.00 60.65 60.09 1n7e s ILE 722 Cb -0.00 -1.17 0.04 0.00 0.01 0.00 0.00 42.46 41.34 1n7e s ILE 722 CO 0.06 0.39 0.77 0.59 0.00 0.00 0.00 174.94 176.75 1n7e n ASN 723 N 4.79 -2.55 0.00 3.58 5.03 0.12 -0.71 115.26 125.51 1n7e n ASN 723 Ca -0.15 -0.85 0.00 0.00 0.87 0.00 0.00 54.58 54.45 1n7e n ASN 723 Cb 0.50 -3.72 0.00 0.00 -1.02 0.00 0.00 39.78 35.54 1n7e n ASN 723 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 1n7e n SER 724 N -2.93 -2.38 -4.49 6.41 7.64 -1.26 -4.96 113.62 111.64 1n7e n SER 724 Ca -0.14 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.31 1n7e n SER 724 Cb 0.61 -1.87 -0.09 0.00 -1.01 0.00 0.00 64.21 61.85 1n7e n SER 724 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1n7e s SER 725 N -2.21 6.20 0.47 6.43 0.15 0.11 -5.05 113.70 119.80 1n7e s SER 725 Ca 0.00 -0.60 -0.24 0.00 0.70 0.00 0.00 55.95 55.80 1n7e s SER 725 Cb 0.00 -2.22 -0.07 0.00 -1.71 0.00 0.00 66.02 62.01 1n7e s SER 725 CO 0.00 -0.55 1.38 -0.55 1.20 0.00 0.00 173.24 174.72 1n7e s SER 726 N 1.80 5.82 0.00 5.45 0.15 -1.26 -1.22 113.70 124.43 1n7e s SER 726 Ca 0.12 2.81 0.21 0.00 0.70 0.00 0.00 55.95 59.79 1n7e s SER 726 Cb -0.17 -2.64 0.48 0.00 -1.71 0.00 0.00 66.02 61.97 1n7e s SER 726 CO 0.13 -1.20 1.41 0.18 1.20 0.00 0.00 173.24 174.96 1n7e n LEU 727 N -0.35 3.51 -4.66 3.45 4.77 -0.04 -4.87 117.00 118.81 1n7e n LEU 727 Ca 0.06 -1.74 -0.42 0.00 -0.03 0.00 0.00 56.01 53.88 1n7e n LEU 727 Cb 0.43 -0.33 -0.03 0.00 -2.33 0.00 0.00 43.42 41.16 1n7e n LEU 727 CO 0.56 0.82 1.60 1.17 -1.33 0.00 0.00 177.39 180.21 1n7e n LYS 728 N 1.38 2.88 -1.10 3.23 4.81 -1.26 -0.90 118.16 127.20 1n7e n LYS 728 Ca 0.20 1.06 -0.04 0.00 -0.87 0.00 0.00 58.31 58.66 1n7e n LYS 728 Cb 0.57 -3.01 -0.02 0.00 0.02 0.00 0.00 35.03 32.60 1n7e n LYS 728 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1n7e n GLY 729 N 4.53 0.59 3.71 3.14 0.00 -1.18 -5.00 105.19 110.97 1n7e n GLY 729 Ca 0.20 -0.24 -0.35 0.00 0.00 0.00 0.00 46.02 45.63 1n7e n GLY 729 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n7e s LYS 730 N -1.60 3.19 0.87 1.61 -0.14 -0.08 -4.59 119.74 119.01 1n7e s LYS 730 Ca 0.00 -0.35 -0.12 0.00 -1.36 0.00 0.00 55.97 54.14 1n7e s LYS 730 Cb 0.00 -2.92 0.11 0.00 -1.68 0.00 0.00 37.83 33.34 1n7e s LYS 730 CO 0.00 0.66 1.14 -1.25 -0.76 0.00 0.00 175.35 175.14 1n7e s PRO 731 N -0.76 1.51 0.34 -1.68 0.04 -1.26 -4.72 135.00 128.47 1n7e s PRO 731 Ca 0.12 0.30 0.05 0.00 0.04 0.00 0.00 61.00 61.51 1n7e s PRO 731 Cb -0.12 -1.88 0.69 0.00 0.04 0.00 0.00 34.50 33.24 1n7e s PRO 731 CO 0.02 -1.95 1.92 1.25 0.04 0.00 0.00 177.00 178.28 1n7e h LEU 732 N -1.32 0.74 -1.65 -3.56 5.85 -1.20 -1.70 115.31 112.47 1n7e h LEU 732 Ca -0.49 0.02 0.12 0.00 0.84 0.00 0.00 57.88 58.37 1n7e h LEU 732 Cb 1.32 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 42.17 1n7e h LEU 732 CO 0.63 0.45 0.43 0.77 -0.34 0.00 0.00 178.44 180.38 1n7e h SER 733 N 0.83 0.35 0.04 1.25 4.64 -1.93 -0.79 113.55 117.93 1n7e h SER 733 Ca 0.38 0.01 -0.20 0.00 -0.47 0.00 0.00 61.79 61.51 1n7e h SER 733 Cb 0.37 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 1n7e h SER 733 CO -0.15 0.20 -0.75 -0.33 -0.87 0.00 0.00 176.83 174.93 1n7e h GLU 734 N 0.38 0.61 -0.35 4.77 4.39 -1.67 -2.10 114.58 120.62 1n7e h GLU 734 Ca 0.31 -0.50 -0.04 0.00 0.34 0.00 0.00 59.36 59.46 1n7e h GLU 734 Cb 0.68 0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.42 1n7e h GLU 734 CO -0.08 1.12 0.05 0.00 -1.16 0.00 0.00 179.01 178.93 1n7e h ALA 735 N 0.74 0.46 -0.87 3.43 0.00 -1.19 -0.12 119.26 121.71 1n7e h ALA 735 Ca -0.04 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 1n7e h ALA 735 Cb 1.35 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.97 1n7e h ALA 735 CO 0.14 0.17 0.52 0.82 0.00 0.00 0.00 179.25 180.91 1n7e h ILE 736 N 0.41 1.24 -0.18 0.00 2.04 -1.21 -1.43 117.51 118.38 1n7e h ILE 736 Ca 0.10 -0.54 -0.01 0.00 1.00 0.00 0.00 64.86 65.41 1n7e h ILE 736 Cb 0.37 0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.47 1n7e h ILE 736 CO 0.01 0.26 0.07 -0.74 0.00 0.00 0.00 178.15 177.74 1n7e h HIS 737 N 1.20 0.28 -0.99 1.37 2.76 -1.07 -2.46 115.15 116.24 1n7e h HIS 737 Ca 0.31 -0.02 0.04 0.00 -2.20 0.00 0.00 60.37 58.50 1n7e h HIS 737 Cb -0.04 -0.08 -0.06 0.00 1.55 0.00 0.00 27.41 28.78 1n7e h HIS 737 CO 0.00 0.36 0.65 -0.07 -1.30 0.00 0.00 177.93 177.56 1n7e h LEU 738 N 0.13 1.07 -0.49 0.26 3.38 -0.70 -2.66 115.31 116.29 1n7e h LEU 738 Ca 0.06 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.92 1n7e h LEU 738 Cb 0.20 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1n7e h LEU 738 CO -0.00 0.72 -0.08 -0.07 0.09 0.00 0.00 178.44 179.10 1n7e h LEU 739 N 1.24 0.92 -0.17 1.67 3.38 -1.08 -2.40 115.31 118.88 1n7e h LEU 739 Ca 0.40 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1n7e h LEU 739 Cb 0.03 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.53 1n7e h LEU 739 CO -0.13 1.05 -0.01 0.00 0.09 0.00 0.00 178.44 179.44 1n7e n GLN 740 N -4.24 1.01 -0.02 1.13 -0.00 -0.94 -3.01 117.38 111.30 1n7e n GLN 740 Ca 0.01 -0.17 0.02 0.00 -0.00 0.00 0.00 57.00 56.86 1n7e n GLN 740 Cb 0.37 -1.50 0.03 0.00 -0.00 0.00 0.00 30.24 29.14 1n7e n GLN 740 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.06 176.94 1n7e n MET 741 N -0.85 2.63 0.10 2.61 1.56 -1.02 -4.86 117.12 117.28 1n7e n MET 741 Ca 0.21 -1.73 -0.13 0.00 -0.27 0.00 0.00 57.70 55.78 1n7e n MET 741 Cb 0.18 -1.11 -0.08 0.00 2.15 0.00 0.00 33.22 34.36 1n7e n MET 741 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1n7e h ALA 742 N 0.00 -0.22 0.00 -5.12 0.00 -1.34 -3.50 119.26 109.08 1n7e h ALA 742 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1n7e h ALA 742 Cb 0.61 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1n7e h ALA 742 CO 0.00 -0.51 0.00 0.41 0.00 0.00 0.00 179.25 179.15 1n7e n GLY 743 N -0.55 -0.75 0.31 0.00 0.00 -1.26 -4.74 105.19 98.20 1n7e n GLY 743 Ca -0.09 -2.24 0.13 0.00 0.00 0.00 0.00 46.02 43.82 1n7e n GLY 743 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1n7e h GLU 744 N 5.88 0.00 -6.66 1.61 5.08 -1.97 -3.42 114.58 115.11 1n7e h GLU 744 Ca 0.00 0.00 -0.67 0.00 -1.00 0.00 0.00 59.36 57.69 1n7e h GLU 744 Cb 0.00 0.00 -0.25 0.00 0.50 0.00 0.00 28.75 29.00 1n7e h GLU 744 CO 0.00 0.00 -0.87 0.95 -1.00 0.00 0.00 179.01 178.09 1n7e s THR 745 N -4.94 2.08 -0.06 1.13 -4.23 -1.26 -1.26 115.64 107.09 1n7e s THR 745 Ca -0.05 -1.46 0.01 0.00 -1.18 0.00 0.00 61.69 59.02 1n7e s THR 745 Cb 0.17 -1.80 0.02 0.00 1.34 0.00 0.00 72.50 72.23 1n7e s THR 745 CO 0.65 0.26 -0.07 -0.69 -0.54 0.00 0.00 174.62 174.23 1n7e s VAL 746 N -0.88 0.77 -0.19 2.29 1.01 0.29 -4.95 120.40 118.74 1n7e s VAL 746 Ca 0.11 -0.25 -0.05 0.00 0.00 0.00 0.00 61.98 61.79 1n7e s VAL 746 Cb -0.10 -0.75 -0.03 0.00 0.00 0.00 0.00 36.38 35.50 1n7e s VAL 746 CO 0.03 0.28 0.00 -0.89 0.00 0.00 0.00 175.10 174.52 1n7e s THR 747 N 0.90 4.08 -0.13 3.92 2.01 -1.26 -0.61 115.64 124.56 1n7e s THR 747 Ca -0.11 -0.28 0.03 0.00 0.31 0.00 0.00 61.69 61.64 1n7e s THR 747 Cb -0.15 -2.83 0.01 0.00 0.01 0.00 0.00 72.50 69.54 1n7e s THR 747 CO 0.01 0.45 -0.22 -0.76 -0.69 0.00 0.00 174.62 173.41 1n7e s LEU 748 N 0.74 2.07 -0.23 4.42 1.43 0.62 0.10 118.68 127.84 1n7e s LEU 748 Ca 0.00 -0.58 -0.16 0.00 -1.03 0.00 0.00 54.13 52.36 1n7e s LEU 748 Cb -0.14 -1.41 -0.04 0.00 0.03 0.00 0.00 46.19 44.64 1n7e s LEU 748 CO 0.02 0.09 0.43 -0.75 0.23 0.00 0.00 176.35 176.37 1n7e s LYS 749 N 0.75 4.12 0.00 1.70 2.20 -0.55 -1.28 119.74 126.69 1n7e s LYS 749 Ca -0.09 0.22 0.07 0.00 -0.36 0.00 0.00 55.97 55.81 1n7e s LYS 749 Cb -0.16 -3.59 -0.02 0.00 -1.51 0.00 0.00 37.83 32.55 1n7e s LYS 749 CO -0.00 -0.17 -0.21 0.42 -0.36 0.00 0.00 175.35 175.02 1n7e s ILE 750 N 1.73 1.68 -0.16 5.43 1.01 0.41 -0.08 121.20 131.23 1n7e s ILE 750 Ca 0.19 -1.01 -0.01 0.00 0.00 0.00 0.00 60.65 59.82 1n7e s ILE 750 Cb -0.15 -1.42 -0.01 0.00 0.01 0.00 0.00 42.46 40.89 1n7e s ILE 750 CO 0.09 0.39 -0.10 -0.75 0.00 0.00 0.00 174.94 174.56 1n7e s LYS 751 N -0.73 3.40 0.33 2.79 2.20 -0.42 -1.09 119.74 126.22 1n7e s LYS 751 Ca 0.08 -0.66 -0.29 0.00 -0.36 0.00 0.00 55.97 54.75 1n7e s LYS 751 Cb -0.08 -2.76 -0.10 0.00 -1.51 0.00 0.00 37.83 33.37 1n7e s LYS 751 CO 0.00 0.09 1.33 0.15 -0.36 0.00 0.00 175.35 176.56 1n7e s LYS 752 N 0.68 4.33 0.72 4.03 -0.14 0.60 -2.07 119.74 127.89 1n7e s LYS 752 Ca -0.05 2.25 -0.14 0.00 -1.36 0.00 0.00 55.97 56.67 1n7e s LYS 752 Cb -0.15 -3.07 0.03 0.00 -1.68 0.00 0.00 37.83 32.96 1n7e s LYS 752 CO 0.02 -0.23 1.15 1.14 -0.76 0.00 0.00 175.35 176.67 1n7e s GLN 753 N -1.73 2.36 0.22 1.68 -2.07 -1.26 -4.70 119.66 114.17 1n7e s GLN 753 Ca 0.50 1.52 0.02 0.00 -1.82 0.00 0.00 55.36 55.58 1n7e s GLN 753 Cb -0.40 -1.88 0.02 0.00 -1.09 0.00 0.00 33.01 29.65 1n7e s GLN 753 CO 0.53 -1.61 0.16 0.25 -1.32 0.00 0.00 175.29 173.30 1n7e n THR 754 N -2.77 0.00 -1.86 3.63 -2.24 -1.26 -5.02 114.28 104.75 1n7e n THR 754 Ca 0.11 -0.88 -0.41 0.00 -2.27 0.00 0.00 64.05 60.60 1n7e n THR 754 Cb 0.51 -0.30 -0.02 0.00 -2.10 0.00 0.00 70.33 68.43 1n7e n THR 754 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1n7e n ASP 755 N -1.91 3.83 -4.59 3.42 5.68 -1.26 -4.94 116.55 116.78 1n7e n ASP 755 Ca -0.01 -2.82 -0.39 0.00 -0.50 0.00 0.00 54.79 51.07 1n7e n ASP 755 Cb 0.25 -1.59 -0.10 0.00 -1.14 0.00 0.00 41.12 38.53 1n7e n ASP 755 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1n7e s ALA 756 N 4.41 3.53 -0.04 2.12 0.00 -1.26 -5.07 121.76 125.45 1n7e s ALA 756 Ca 0.52 -1.06 0.06 0.00 0.00 0.00 0.00 51.96 51.49 1n7e s ALA 756 Cb 0.10 -2.56 -0.01 0.00 0.00 0.00 0.00 23.12 20.66 1n7e s ALA 756 CO 0.01 -0.62 -0.24 -1.14 0.00 0.00 0.00 175.76 173.76 1n7e s GLN 757 N 1.83 2.32 0.28 0.00 0.74 -1.26 -5.12 119.66 118.46 1n7e s GLN 757 Ca 0.09 -0.87 -0.30 0.00 0.05 0.00 0.00 55.36 54.32 1n7e s GLN 757 Cb -0.16 -2.04 -0.11 0.00 1.10 0.00 0.00 33.01 31.80 1n7e s GLN 757 CO 0.11 0.42 1.55 -2.14 -0.55 0.00 0.00 175.29 174.67 1n7e s PRO 758 N -0.27 4.16 -0.18 1.67 0.02 -1.26 -5.01 135.00 134.13 1n7e s PRO 758 Ca 0.00 2.50 -0.05 0.00 0.02 0.00 0.00 61.00 63.48 1n7e s PRO 758 Cb -0.12 -3.04 -0.03 0.00 0.02 0.00 0.00 34.50 31.32 1n7e s PRO 758 CO 0.02 -0.57 -0.00 0.00 -0.33 0.00 0.00 177.00 176.12 1n7e s ALA 759 N -0.05 3.09 -0.01 -1.55 0.00 -1.26 -5.10 121.76 116.87 1n7e s ALA 759 Ca 0.62 -0.87 -0.09 0.00 0.00 0.00 0.00 51.96 51.62 1n7e s ALA 759 Cb -0.46 -1.70 -0.05 0.00 0.00 0.00 0.00 23.12 20.91 1n7e s ALA 759 CO 0.47 0.07 0.28 -1.12 0.00 0.00 0.00 175.76 175.47 1n7e s SER 760 N 0.60 6.56 0.00 0.00 0.01 -1.26 -5.37 113.70 114.23 1n7e s SER 760 Ca -0.01 0.65 0.00 0.00 1.31 0.00 0.00 55.95 57.91 1n7e s SER 760 Cb -0.14 -2.13 0.00 0.00 0.21 0.00 0.00 66.02 63.96 1n7e s SER 760 CO 0.02 0.30 0.00 -1.54 0.41 0.00 0.00 173.24 172.43