#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gop s ARG 653 N 0.00 3.51 0.92 1.64 0.52 -1.26 -5.01 118.95 119.28 3gop s ARG 653 Ca 0.00 -1.41 -0.11 0.00 -0.52 0.00 0.00 55.73 53.69 3gop s ARG 653 Cb 0.00 -4.90 0.15 0.00 0.52 0.00 0.00 34.95 30.72 3gop s ARG 653 CO 0.00 -1.90 1.09 0.95 0.02 0.00 0.00 175.30 175.46 3gop s THR 654 N 3.57 2.54 0.26 0.02 -4.23 -1.26 -4.87 115.64 111.68 3gop s THR 654 Ca 0.35 0.18 -0.03 0.00 -1.18 0.00 0.00 61.69 61.00 3gop s THR 654 Cb -0.06 -2.54 0.17 0.00 1.34 0.00 0.00 72.50 71.41 3gop s THR 654 CO -0.06 -0.23 1.83 -0.07 -0.54 0.00 0.00 174.62 175.55 3gop h LEU 655 N -1.71 0.89 -0.53 4.79 4.07 -1.99 -2.08 115.31 118.76 3gop h LEU 655 Ca -0.50 -0.14 0.03 0.00 0.08 0.00 0.00 57.88 57.35 3gop h LEU 655 Cb 1.28 -0.23 -0.04 0.00 1.08 0.00 0.00 40.66 42.76 3gop h LEU 655 CO 0.52 0.82 0.32 0.03 -1.08 0.00 0.00 178.44 179.04 3gop h ARG 656 N 0.94 0.61 -0.28 1.13 -0.00 -2.00 -1.77 114.38 113.00 3gop h ARG 656 Ca 0.21 -0.04 -0.09 0.00 -0.50 0.00 0.00 59.98 59.57 3gop h ARG 656 Cb 0.23 -0.14 -0.01 0.00 0.00 0.00 0.00 29.97 30.05 3gop h ARG 656 CO -0.01 0.40 -0.21 0.00 0.00 0.00 0.00 179.97 180.15 3gop h ARG 657 N 0.63 0.52 -0.72 0.04 3.08 -1.88 -2.57 114.38 113.48 3gop h ARG 657 Ca 0.21 -0.19 -0.07 0.00 0.07 0.00 0.00 59.98 60.01 3gop h ARG 657 Cb 0.03 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.01 3gop h ARG 657 CO -0.10 0.71 0.18 -0.07 -1.07 0.00 0.00 179.97 179.62 3gop h LEU 658 N 0.47 1.09 -0.03 3.04 3.38 -0.94 -1.94 115.31 120.38 3gop h LEU 658 Ca 0.07 -0.23 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 3gop h LEU 658 Cb 0.63 -0.29 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 3gop h LEU 658 CO 0.04 1.04 0.02 0.25 0.09 0.00 0.00 178.44 179.88 3gop h LEU 659 N 1.09 0.03 -0.66 1.67 5.85 -1.08 -3.07 115.31 119.14 3gop h LEU 659 Ca 0.23 -0.05 0.13 0.00 0.84 0.00 0.00 57.88 59.03 3gop h LEU 659 Cb 0.37 -0.01 -0.10 0.00 0.37 0.00 0.00 40.66 41.30 3gop h LEU 659 CO 0.00 0.07 0.15 1.56 -0.34 0.00 0.00 178.44 179.89 3gop h GLN 660 N -0.01 0.26 0.00 1.25 4.20 -1.07 0.22 115.11 119.95 3gop h GLN 660 Ca 0.01 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.70 3gop h GLN 660 Cb 0.05 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.77 3gop h GLN 660 CO -0.00 0.17 0.00 -0.85 -0.67 0.00 0.00 178.83 177.48 3gop n GLU 661 N -5.14 0.32 0.20 1.46 0.28 -0.77 -0.90 120.64 116.10 3gop n GLU 661 Ca 0.11 0.09 0.06 0.00 -0.16 0.00 0.00 57.16 57.26 3gop n GLU 661 Cb 0.38 -1.50 0.39 0.00 1.43 0.00 0.00 31.44 32.13 3gop n GLU 661 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 177.13 176.88 3gop h ARG 662 N 0.00 0.00 0.00 3.44 1.12 -0.51 1.22 114.38 119.66 3gop h ARG 662 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.87 3gop h ARG 662 Cb 0.14 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.10 3gop h ARG 662 CO 0.00 0.35 0.00 0.39 -3.11 0.00 0.00 179.97 177.60 3gop n GLU 663 N -3.66 0.18 -0.05 0.20 -0.58 -0.08 -3.83 120.64 112.83 3gop n GLU 663 Ca -0.01 0.37 -0.06 0.00 -0.42 0.00 0.00 57.16 57.04 3gop n GLU 663 Cb 0.46 -1.82 -0.07 0.00 -0.57 0.00 0.00 31.44 29.44 3gop n GLU 663 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 3gop n LEU 664 N -2.15 1.39 -4.04 -4.62 4.77 0.84 -4.96 117.00 108.23 3gop n LEU 664 Ca 0.03 -0.03 -0.31 0.00 -0.03 0.00 0.00 56.01 55.66 3gop n LEU 664 Cb 0.25 -0.07 -0.16 0.00 -2.33 0.00 0.00 43.42 41.11 3gop n LEU 664 CO 0.20 0.45 -0.48 -0.69 -1.33 0.00 0.00 177.39 175.55 3gop s VAL 665 N -2.23 1.81 0.36 4.08 1.01 0.39 -5.11 120.40 120.70 3gop s VAL 665 Ca -0.10 -1.06 -0.28 0.00 0.00 0.00 0.00 61.98 60.53 3gop s VAL 665 Cb 0.03 -1.82 -0.12 0.00 0.00 0.00 0.00 36.38 34.48 3gop s VAL 665 CO 0.34 0.24 1.44 -0.62 0.00 0.00 0.00 175.10 176.50 3gop n GLU 666 N 4.64 2.51 -1.75 2.72 -0.58 -1.26 -4.44 120.64 122.47 3gop n GLU 666 Ca -0.16 0.88 -0.42 0.00 -0.42 0.00 0.00 57.16 57.04 3gop n GLU 666 Cb 0.47 -2.57 -0.01 0.00 -0.57 0.00 0.00 31.44 28.76 3gop n GLU 666 CO 0.00 0.00 0.00 -2.30 -0.48 0.00 0.00 177.13 174.35 3gop n PRO 667 N 0.65 2.65 -2.59 3.49 -0.02 -1.26 -4.94 135.00 132.98 3gop n PRO 667 Ca 0.03 0.94 -0.43 0.00 -2.02 0.00 0.00 63.50 62.02 3gop n PRO 667 Cb 0.38 -2.70 -0.02 0.00 -0.02 0.00 0.00 33.50 31.13 3gop n PRO 667 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3gop s LEU 668 N -0.82 4.17 -0.44 2.45 1.43 -1.26 -5.01 118.68 119.19 3gop s LEU 668 Ca 0.61 1.53 0.04 0.00 -1.03 0.00 0.00 54.13 55.28 3gop s LEU 668 Cb -0.50 -3.54 0.16 0.00 0.03 0.00 0.00 46.19 42.34 3gop s LEU 668 CO 0.52 -0.64 0.34 -0.89 0.23 0.00 0.00 176.35 175.92 3gop s THR 669 N 2.92 0.69 0.05 5.49 2.01 -1.26 -5.12 115.64 120.41 3gop s THR 669 Ca 0.49 -2.73 -0.31 0.00 0.31 0.00 0.00 61.69 59.45 3gop s THR 669 Cb -0.18 -1.48 -0.07 0.00 0.01 0.00 0.00 72.50 70.78 3gop s THR 669 CO 0.12 -1.16 1.44 -2.84 -0.69 0.00 0.00 174.62 171.49 3gop s PRO 670 N 0.01 4.28 0.24 4.92 0.02 -1.26 -4.91 135.00 138.29 3gop s PRO 670 Ca 0.29 2.06 0.13 0.00 0.02 0.00 0.00 61.00 63.50 3gop s PRO 670 Cb -0.02 -3.48 0.02 0.00 0.02 0.00 0.00 34.50 31.05 3gop s PRO 670 CO -0.16 -0.56 1.42 0.66 -0.33 0.00 0.00 177.00 178.03 3gop h SER 671 N 7.60 0.00 0.00 2.53 4.64 -2.05 -3.47 113.55 122.80 3gop h SER 671 Ca -0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 3gop h SER 671 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 3gop h SER 671 CO 0.90 0.64 0.00 0.61 -0.87 0.00 0.00 176.83 178.10 3gop n GLY 672 N 1.20 0.31 3.78 -0.77 0.00 -1.26 -5.01 105.19 103.44 3gop n GLY 672 Ca 0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 3gop n GLY 672 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3gop s GLU 673 N -0.82 3.69 -0.01 1.61 2.56 -1.26 -4.97 118.70 119.51 3gop s GLU 673 Ca 0.00 1.66 -0.30 0.00 0.00 0.00 0.00 54.97 56.33 3gop s GLU 673 Cb 0.00 -2.28 -0.05 0.00 2.00 0.00 0.00 34.13 33.80 3gop s GLU 673 CO 0.00 -0.58 1.41 0.00 -0.56 0.00 0.00 175.26 175.53 3gop s ALA 674 N -1.66 3.59 0.23 6.30 0.00 -1.26 -4.97 121.76 123.98 3gop s ALA 674 Ca 0.66 0.87 -0.32 0.00 0.00 0.00 0.00 51.96 53.18 3gop s ALA 674 Cb -0.25 -3.60 -0.12 0.00 0.00 0.00 0.00 23.12 19.15 3gop s ALA 674 CO 0.30 -0.95 1.69 -2.14 0.00 0.00 0.00 175.76 174.67 3gop s PRO 675 N 2.51 4.12 -0.75 0.00 0.02 -1.26 -4.93 135.00 134.71 3gop s PRO 675 Ca 0.64 2.60 -0.27 0.00 0.02 0.00 0.00 61.00 63.99 3gop s PRO 675 Cb -0.31 -3.06 0.02 0.00 0.02 0.00 0.00 34.50 31.16 3gop s PRO 675 CO 0.26 -0.73 1.41 1.21 -0.33 0.00 0.00 177.00 178.83 3gop s ASN 676 N 1.04 6.01 -0.16 2.53 3.04 -1.26 -4.90 114.94 121.25 3gop s ASN 676 Ca 0.72 -0.41 0.09 0.00 0.04 0.00 0.00 52.86 53.30 3gop s ASN 676 Cb -0.49 -2.56 0.53 0.00 -1.54 0.00 0.00 41.25 37.19 3gop s ASN 676 CO 0.35 -1.92 1.31 0.00 -3.04 0.00 0.00 177.10 173.80 3gop n GLN 677 N 9.29 3.49 -1.80 0.43 6.02 -1.26 -4.98 117.38 128.58 3gop n GLN 677 Ca 0.09 -2.04 -0.38 0.00 -0.01 0.00 0.00 57.00 54.67 3gop n GLN 677 Cb 0.50 -1.99 0.04 0.00 1.02 0.00 0.00 30.24 29.81 3gop n GLN 677 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3gop s ALA 678 N -2.14 2.74 -0.11 -1.58 0.00 -1.26 -4.98 121.76 114.43 3gop s ALA 678 Ca 0.35 1.29 -0.14 0.00 0.00 0.00 0.00 51.96 53.47 3gop s ALA 678 Cb 0.27 -3.56 -0.05 0.00 0.00 0.00 0.00 23.12 19.79 3gop s ALA 678 CO 0.10 -1.38 0.33 -0.51 0.00 0.00 0.00 175.76 174.31 3gop s LEU 679 N -3.66 4.33 -0.37 0.00 1.43 -1.26 -5.05 118.68 114.09 3gop s LEU 679 Ca 0.73 0.67 -0.02 0.00 -1.03 0.00 0.00 54.13 54.48 3gop s LEU 679 Cb -0.39 -2.45 0.09 0.00 0.03 0.00 0.00 46.19 43.47 3gop s LEU 679 CO 0.46 0.18 0.14 -0.22 0.23 0.00 0.00 176.35 177.13 3gop s LEU 680 N -0.09 4.84 -0.00 1.79 2.96 -1.26 -4.95 118.68 121.97 3gop s LEU 680 Ca 0.20 -1.81 -0.24 0.00 -0.22 0.00 0.00 54.13 52.05 3gop s LEU 680 Cb -0.14 -1.79 -0.05 0.00 0.50 0.00 0.00 46.19 44.72 3gop s LEU 680 CO 0.07 -0.45 0.74 -0.13 -1.32 0.00 0.00 176.35 175.26 3gop s ARG 681 N 1.16 4.46 -0.15 1.98 0.52 -1.26 -4.97 118.95 120.69 3gop s ARG 681 Ca 0.05 0.99 -0.14 0.00 -0.52 0.00 0.00 55.73 56.11 3gop s ARG 681 Cb -0.22 -3.40 -0.05 0.00 0.52 0.00 0.00 34.95 31.81 3gop s ARG 681 CO -0.03 0.20 0.29 0.42 0.02 0.00 0.00 175.30 176.20 3gop s ILE 682 N 0.29 5.30 -0.07 1.52 -1.09 -1.26 -1.15 121.20 124.73 3gop s ILE 682 Ca 0.38 0.55 0.05 0.00 -2.23 0.00 0.00 60.65 59.40 3gop s ILE 682 Cb -0.19 -3.63 -0.01 0.00 -1.58 0.00 0.00 42.46 37.05 3gop s ILE 682 CO 0.21 0.40 -0.22 -0.76 -1.23 0.00 0.00 174.94 173.35 3gop s LEU 683 N 0.35 2.25 0.39 2.97 1.43 0.44 -4.93 118.68 121.59 3gop s LEU 683 Ca 0.17 -0.45 -0.26 0.00 -1.03 0.00 0.00 54.13 52.56 3gop s LEU 683 Cb -0.13 -1.43 -0.09 0.00 0.03 0.00 0.00 46.19 44.57 3gop s LEU 683 CO 0.04 0.24 1.20 -0.75 0.23 0.00 0.00 176.35 177.31 3gop s LYS 684 N -0.11 4.09 0.19 1.70 2.20 -1.26 -4.35 119.74 122.19 3gop s LYS 684 Ca -0.04 1.91 -0.13 0.00 -0.36 0.00 0.00 55.97 57.35 3gop s LYS 684 Cb -0.14 -2.74 0.11 0.00 -1.51 0.00 0.00 37.83 33.55 3gop s LYS 684 CO 0.04 -0.31 1.85 1.49 -0.36 0.00 0.00 175.35 178.06 3gop h GLU 685 N 2.75 0.79 -1.17 4.03 4.81 -1.97 -1.88 114.58 121.93 3gop h GLU 685 Ca -0.49 -0.05 0.34 0.00 -0.13 0.00 0.00 59.36 59.03 3gop h GLU 685 Cb 1.23 -0.18 -0.05 0.00 0.63 0.00 0.00 28.75 30.39 3gop h GLU 685 CO 0.63 0.52 0.83 1.79 -0.73 0.00 0.00 179.01 182.05 3gop h THR 686 N 0.81 0.42 0.00 0.32 1.35 -2.01 -2.43 112.91 111.37 3gop h THR 686 Ca 0.23 -0.01 0.00 0.00 -0.55 0.00 0.00 66.41 66.08 3gop h THR 686 Cb -0.08 0.38 0.00 0.00 -1.73 0.00 0.00 68.15 66.73 3gop h THR 686 CO -0.06 0.01 0.00 -0.62 -0.25 0.00 0.00 175.52 174.60 3gop n GLU 687 N -4.22 0.15 -4.14 4.72 1.02 -0.71 -4.67 120.64 112.79 3gop n GLU 687 Ca 0.25 0.40 -0.16 0.00 -0.02 0.00 0.00 57.16 57.63 3gop n GLU 687 Cb 1.21 -1.80 -0.12 0.00 -0.02 0.00 0.00 31.44 30.71 3gop n GLU 687 CO 0.00 0.00 0.00 -0.59 1.18 0.00 0.00 177.13 177.72 3gop s PHE 688 N -3.26 0.97 -0.00 -0.32 -0.71 -0.92 0.56 117.98 114.30 3gop s PHE 688 Ca 0.04 -0.45 0.07 0.00 -1.04 0.00 0.00 56.93 55.55 3gop s PHE 688 Cb 0.09 -0.56 -0.03 0.00 -1.21 0.00 0.00 43.02 41.31 3gop s PHE 688 CO 0.35 -0.00 -0.21 -1.59 -1.34 0.00 0.00 175.22 172.43 3gop s LYS 689 N -1.57 2.15 0.08 1.99 -2.85 -0.71 -4.98 119.74 113.86 3gop s LYS 689 Ca -0.05 -0.91 -0.21 0.00 -1.00 0.00 0.00 55.97 53.80 3gop s LYS 689 Cb -0.10 -2.15 -0.07 0.00 -2.06 0.00 0.00 37.83 33.45 3gop s LYS 689 CO 0.01 0.56 0.63 0.15 0.10 0.00 0.00 175.35 176.81 3gop s LYS 690 N -0.95 4.31 -0.02 1.78 1.02 -1.26 -1.84 119.74 122.78 3gop s LYS 690 Ca 0.12 0.84 -0.00 0.00 0.02 0.00 0.00 55.97 56.95 3gop s LYS 690 Cb -0.10 -3.27 -0.01 0.00 -0.52 0.00 0.00 37.83 33.93 3gop s LYS 690 CO 0.01 0.56 -0.02 0.44 -0.92 0.00 0.00 175.35 175.42 3gop n ILE 691 N 1.91 0.13 -4.25 2.17 -5.35 -0.24 -4.97 119.36 108.77 3gop n ILE 691 Ca -0.08 -0.04 -0.18 0.00 -0.27 0.00 0.00 62.75 62.18 3gop n ILE 691 Cb 0.50 -0.91 -0.11 0.00 -1.74 0.00 0.00 39.64 37.38 3gop n ILE 691 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 3gop s LYS 692 N -2.04 1.04 -0.13 6.28 2.20 -1.05 -5.03 119.74 121.00 3gop s LYS 692 Ca -0.03 -1.26 -0.16 0.00 -0.36 0.00 0.00 55.97 54.16 3gop s LYS 692 Cb 0.01 -0.90 -0.04 0.00 -1.51 0.00 0.00 37.83 35.38 3gop s LYS 692 CO 0.05 0.17 0.39 0.08 -0.36 0.00 0.00 175.35 175.67 3gop s VAL 693 N -2.22 5.24 -0.39 4.02 1.01 -1.26 -1.36 120.40 125.44 3gop s VAL 693 Ca 0.10 0.76 0.17 0.00 0.00 0.00 0.00 61.98 63.01 3gop s VAL 693 Cb -0.04 -3.73 -0.23 0.00 0.00 0.00 0.00 36.38 32.38 3gop s VAL 693 CO 0.03 0.36 0.54 0.18 0.00 0.00 0.00 175.10 176.22 3gop n LEU 694 N 3.56 0.38 0.00 3.92 4.77 0.28 -4.83 117.00 125.08 3gop n LEU 694 Ca -0.10 -0.24 0.00 0.00 -0.03 0.00 0.00 56.01 55.64 3gop n LEU 694 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 3gop n LEU 694 CO 0.41 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 177.18 3gop n GLY 695 N 1.46 2.46 0.00 -0.72 0.00 -0.85 -4.91 105.19 102.63 3gop n GLY 695 Ca -0.00 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.21 3gop n GLY 695 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gop n GLY 700 N 0.00 0.00 3.68 -0.02 0.00 -1.26 -4.13 105.19 103.46 3gop n GLY 700 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 3gop n GLY 700 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3gop s THR 701 N 0.00 3.68 -0.09 2.61 -1.32 0.10 -4.82 115.64 115.80 3gop s THR 701 Ca 0.00 -1.66 0.04 0.00 -1.21 0.00 0.00 61.69 58.86 3gop s THR 701 Cb 0.00 -2.93 0.00 0.00 -1.51 0.00 0.00 72.50 68.06 3gop s THR 701 CO 0.00 -0.27 -0.22 -0.69 -2.21 0.00 0.00 174.62 171.23 3gop s VAL 702 N -2.07 1.92 -0.08 5.08 1.01 -1.26 -0.73 120.40 124.27 3gop s VAL 702 Ca 0.30 -0.94 0.04 0.00 0.00 0.00 0.00 61.98 61.38 3gop s VAL 702 Cb -0.08 -1.66 -0.02 0.00 0.00 0.00 0.00 36.38 34.62 3gop s VAL 702 CO 0.20 0.53 -0.18 -0.31 0.00 0.00 0.00 175.10 175.34 3gop s TYR 703 N 0.36 2.63 0.14 5.22 1.51 -0.02 0.10 117.35 127.30 3gop s TYR 703 Ca -0.17 -0.52 -0.31 0.00 -1.01 0.00 0.00 57.07 55.06 3gop s TYR 703 Cb -0.17 -1.68 -0.08 0.00 -0.11 0.00 0.00 41.96 39.92 3gop s TYR 703 CO 0.08 -0.09 1.30 0.21 -1.11 0.00 0.00 175.55 175.95 3gop s LYS 704 N -0.20 4.38 0.33 -0.62 2.20 -0.46 -1.19 119.74 124.19 3gop s LYS 704 Ca -0.01 1.99 -0.18 0.00 -0.36 0.00 0.00 55.97 57.41 3gop s LYS 704 Cb -0.13 -3.24 0.04 0.00 -1.51 0.00 0.00 37.83 32.98 3gop s LYS 704 CO 0.03 -0.30 0.76 0.20 -0.36 0.00 0.00 175.35 175.68 3gop s GLY 705 N 0.70 0.15 -0.05 5.54 0.00 -0.58 -1.08 107.32 112.00 3gop s GLY 705 Ca 0.59 -0.54 -0.01 0.00 0.00 0.00 0.00 44.72 44.76 3gop s GLY 705 CO 0.34 -0.21 0.01 1.08 0.00 0.00 0.00 173.10 174.32 3gop s LEU 706 N -3.00 3.61 -0.13 0.66 1.43 -0.77 -1.02 118.68 119.46 3gop s LEU 706 Ca 0.13 0.11 -0.11 0.00 -1.03 0.00 0.00 54.13 53.23 3gop s LEU 706 Cb -0.06 -1.93 -0.05 0.00 0.03 0.00 0.00 46.19 44.19 3gop s LEU 706 CO 0.09 0.34 0.24 0.86 0.23 0.00 0.00 176.35 178.11 3gop s TRP 707 N -0.98 3.53 -0.37 0.29 -0.00 -0.08 -1.73 118.94 119.60 3gop s TRP 707 Ca 0.16 0.59 0.01 0.00 -0.00 0.00 0.00 56.10 56.86 3gop s TRP 707 Cb -0.11 -2.19 0.15 0.00 -0.00 0.00 0.00 33.47 31.31 3gop s TRP 707 CO 0.06 0.45 0.25 0.42 -0.00 0.00 0.00 176.95 178.12 3gop s ILE 708 N -0.19 0.25 0.22 5.86 1.01 0.19 -0.64 121.20 127.90 3gop s ILE 708 Ca 0.15 -2.00 -0.32 0.00 0.00 0.00 0.00 60.65 58.49 3gop s ILE 708 Cb -0.13 -1.19 -0.12 0.00 0.01 0.00 0.00 42.46 41.02 3gop s ILE 708 CO 0.04 -1.05 1.64 -2.65 0.00 0.00 0.00 174.94 172.92 3gop n PRO 709 N 3.70 2.56 -1.66 2.79 -0.02 -1.26 -4.67 135.00 136.44 3gop n PRO 709 Ca 0.17 0.92 -0.42 0.00 -2.02 0.00 0.00 63.50 62.14 3gop n PRO 709 Cb 0.40 -2.72 -0.03 0.00 -0.02 0.00 0.00 33.50 31.13 3gop n PRO 709 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3gop n GLU 710 N 3.32 2.85 0.00 -0.52 4.71 -1.26 -3.57 120.64 126.17 3gop n GLU 710 Ca 0.14 1.04 0.00 0.00 -0.01 0.00 0.00 57.16 58.34 3gop n GLU 710 Cb 0.33 -3.00 0.00 0.00 -1.01 0.00 0.00 31.44 27.77 3gop n GLU 710 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3gop n GLY 711 N 4.54 1.94 3.69 0.62 0.00 -1.26 -5.22 105.19 109.50 3gop n GLY 711 Ca 0.20 -0.63 -0.32 0.00 0.00 0.00 0.00 46.02 45.27 3gop n GLY 711 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3gop s GLU 712 N 0.00 1.40 0.00 1.61 1.03 -1.23 -5.21 118.70 116.30 3gop s GLU 712 Ca 0.00 1.68 0.00 0.00 0.03 0.00 0.00 54.97 56.68 3gop s GLU 712 Cb 0.00 -1.76 0.00 0.00 -0.80 0.00 0.00 34.13 31.57 3gop s GLU 712 CO 0.00 -2.37 0.00 0.28 -1.33 0.00 0.00 175.26 171.84 3gop n VAL 714 N -3.66 -0.28 -4.31 1.83 0.31 -1.26 -4.95 118.33 106.02 3gop n VAL 714 Ca 0.13 0.00 -0.28 0.00 -0.01 0.00 0.00 64.34 64.18 3gop n VAL 714 Cb 0.51 -0.28 -0.17 0.00 -0.91 0.00 0.00 33.84 33.00 3gop n VAL 714 CO 0.00 0.00 0.00 -1.59 -1.32 0.00 0.00 176.83 173.92 3gop s LYS 715 N -3.25 1.97 -0.14 5.55 0.00 -1.17 -4.42 119.74 118.29 3gop s LYS 715 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 55.97 55.51 3gop s LYS 715 Cb 0.00 -1.75 -0.01 0.00 0.00 0.00 0.00 37.83 36.07 3gop s LYS 715 CO 0.00 -0.11 -0.14 0.42 0.00 0.00 0.00 175.35 175.51 3gop s ILE 716 N 1.14 2.82 -0.01 3.79 1.01 0.19 -1.12 121.20 129.02 3gop s ILE 716 Ca -0.04 -0.73 -0.30 0.00 0.00 0.00 0.00 60.65 59.58 3gop s ILE 716 Cb -0.14 -2.18 -0.06 0.00 0.01 0.00 0.00 42.46 40.08 3gop s ILE 716 CO -0.03 0.52 1.57 -2.16 0.00 0.00 0.00 174.94 174.84 3gop s PRO 717 N 0.60 4.22 0.04 2.79 0.04 -1.26 -0.90 135.00 140.53 3gop s PRO 717 Ca -0.08 2.15 0.03 0.00 0.04 0.00 0.00 61.00 63.14 3gop s PRO 717 Cb -0.16 -3.75 -0.02 0.00 0.04 0.00 0.00 34.50 30.61 3gop s PRO 717 CO 0.03 -0.73 -0.10 0.14 0.04 0.00 0.00 177.00 176.37 3gop s VAL 718 N 3.15 0.78 -0.14 -0.36 -7.23 -0.18 -0.81 120.40 115.60 3gop s VAL 718 Ca 0.70 -1.00 -0.06 0.00 -1.81 0.00 0.00 61.98 59.82 3gop s VAL 718 Cb -0.34 -0.77 -0.04 0.00 0.56 0.00 0.00 36.38 35.79 3gop s VAL 718 CO 0.29 -0.20 0.06 0.00 -0.31 0.00 0.00 175.10 174.95 3gop s ALA 719 N -1.07 3.47 -0.27 1.32 0.00 0.17 -1.52 121.76 123.85 3gop s ALA 719 Ca -0.04 -0.74 -0.04 0.00 0.00 0.00 0.00 51.96 51.14 3gop s ALA 719 Cb -0.08 -1.81 0.02 0.00 0.00 0.00 0.00 23.12 21.25 3gop s ALA 719 CO 0.01 0.38 -0.00 0.42 0.00 0.00 0.00 175.76 176.57 3gop s ILE 720 N -0.25 3.30 -0.51 0.00 1.01 -0.34 -1.26 121.20 123.16 3gop s ILE 720 Ca 0.08 -0.95 -0.17 0.00 0.00 0.00 0.00 60.65 59.61 3gop s ILE 720 Cb -0.12 -2.71 0.08 0.00 0.01 0.00 0.00 42.46 39.72 3gop s ILE 720 CO 0.01 0.11 0.50 -0.04 0.00 0.00 0.00 174.94 175.53 3gop s MET 721 N 1.38 3.02 -0.43 2.79 1.00 0.45 -0.84 119.30 126.67 3gop s MET 721 Ca 0.00 -1.30 -0.12 0.00 0.00 0.00 0.00 55.69 54.27 3gop s MET 721 Cb -0.17 -4.17 0.06 0.00 0.00 0.00 0.00 34.83 30.55 3gop s MET 721 CO -0.01 -1.19 0.30 -2.00 0.00 0.00 0.00 175.02 172.12 3gop s GLU 722 N 1.99 2.79 0.00 2.03 2.12 0.09 -1.69 118.70 126.03 3gop s GLU 722 Ca 0.07 -1.33 0.00 0.00 0.36 0.00 0.00 54.97 54.07 3gop s GLU 722 Cb -0.24 -3.91 0.00 0.00 0.26 0.00 0.00 34.13 30.24 3gop s GLU 722 CO 0.07 -0.92 0.00 1.28 -0.54 0.00 0.00 175.26 175.15 3gop n LEU 723 N 5.04 0.00 0.00 2.70 4.77 -1.26 0.02 117.00 128.28 3gop n LEU 723 Ca -0.11 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.87 3gop n LEU 723 Cb 0.44 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 3gop n LEU 723 CO 0.42 0.00 0.00 1.17 -1.33 0.00 0.00 177.39 177.65 3gop n LYS 730 N 0.00 0.00 -1.52 3.23 0.00 -1.26 -4.55 118.16 114.06 3gop n LYS 730 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 58.31 57.91 3gop n LYS 730 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 35.03 35.01 3gop n LYS 730 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3gop n ALA 731 N 0.58 6.72 0.35 3.14 0.00 -1.26 -4.36 120.51 125.67 3gop n ALA 731 Ca 0.00 -3.71 0.11 0.00 0.00 0.00 0.00 53.44 49.84 3gop n ALA 731 Cb 0.00 -3.41 -0.10 0.00 0.00 0.00 0.00 19.45 15.94 3gop n ALA 731 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3gop n ASN 732 N 4.49 0.42 0.02 0.00 3.02 -1.26 -4.07 115.26 117.88 3gop n ASN 732 Ca 0.67 -0.24 0.03 0.00 -0.03 0.00 0.00 54.58 55.01 3gop n ASN 732 Cb 0.30 1.39 0.40 0.00 -0.61 0.00 0.00 39.78 41.25 3gop n ASN 732 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 3gop h LYS 733 N 0.00 0.49 0.45 3.52 6.56 -2.00 -2.04 116.57 123.55 3gop h LYS 733 Ca 0.00 -0.05 -0.02 0.00 -1.06 0.00 0.00 60.65 59.51 3gop h LYS 733 Cb 0.83 -0.10 0.00 0.00 -0.57 0.00 0.00 32.23 32.40 3gop h LYS 733 CO 0.00 0.40 -0.22 1.05 -2.06 0.00 0.00 179.45 178.62 3gop h GLU 734 N 0.49 -0.58 -0.87 3.15 -0.00 -1.93 -1.91 114.58 112.93 3gop h GLU 734 Ca 0.12 0.04 0.05 0.00 -0.00 0.00 0.00 59.36 59.58 3gop h GLU 734 Cb 0.08 0.13 -0.05 0.00 -0.00 0.00 0.00 28.75 28.91 3gop h GLU 734 CO -0.02 -0.28 0.57 0.97 -0.00 0.00 0.00 179.01 180.26 3gop h ILE 735 N -0.98 1.09 -0.04 -1.06 2.10 -1.67 -1.60 117.51 115.35 3gop h ILE 735 Ca -0.06 -0.35 -0.21 0.00 1.08 0.00 0.00 64.86 65.32 3gop h ILE 735 Cb 0.57 -0.02 -0.00 0.00 -1.09 0.00 0.00 36.82 36.29 3gop h ILE 735 CO 0.10 0.19 -0.85 -0.07 -1.08 0.00 0.00 178.15 176.43 3gop h LEU 736 N 1.02 0.53 -0.74 2.19 3.38 -1.43 -2.23 115.31 118.02 3gop h LEU 736 Ca 0.36 -0.39 -0.12 0.00 0.09 0.00 0.00 57.88 57.83 3gop h LEU 736 Cb 0.14 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3gop h LEU 736 CO -0.12 1.17 -0.27 0.44 0.09 0.00 0.00 178.44 179.74 3gop h ASP 737 N 0.26 0.68 -0.29 -0.43 5.19 -0.87 -1.46 116.42 119.50 3gop h ASP 737 Ca -0.06 -0.25 -0.04 0.00 -0.62 0.00 0.00 57.03 56.06 3gop h ASP 737 Cb 1.47 -0.19 -0.01 0.00 0.18 0.00 0.00 39.33 40.78 3gop h ASP 737 CO 0.15 0.92 0.04 -0.33 -3.12 0.00 0.00 179.24 176.90 3gop h GLU 738 N 0.57 0.49 -0.92 3.56 3.07 -1.29 -2.54 114.58 117.52 3gop h GLU 738 Ca 0.07 -0.14 0.15 0.00 -0.50 0.00 0.00 59.36 58.95 3gop h GLU 738 Cb 0.76 -0.06 -0.10 0.00 -0.84 0.00 0.00 28.75 28.52 3gop h GLU 738 CO 0.06 0.60 0.52 0.00 -1.40 0.00 0.00 179.01 178.80 3gop h ALA 739 N 0.87 1.43 0.02 3.43 0.00 -1.24 -1.15 119.26 122.62 3gop h ALA 739 Ca 0.09 0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.08 3gop h ALA 739 Cb 0.35 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3gop h ALA 739 CO 0.01 -0.02 -0.06 -0.92 0.00 0.00 0.00 179.25 178.26 3gop h TYR 740 N 0.74 -0.15 -0.08 0.00 3.20 -0.84 0.27 116.97 120.10 3gop h TYR 740 Ca 0.50 0.00 -0.13 0.00 3.14 0.00 0.00 58.73 62.25 3gop h TYR 740 Cb 0.69 0.07 -0.01 0.00 1.54 0.00 0.00 36.73 39.01 3gop h TYR 740 CO -0.05 -0.10 -0.53 -0.39 -1.64 0.00 0.00 178.16 175.46 3gop h VAL 741 N -0.12 1.36 -0.09 1.81 -1.51 -1.28 -2.46 116.25 113.96 3gop h VAL 741 Ca 0.02 -1.80 -0.11 0.00 -1.23 0.00 0.00 66.70 63.58 3gop h VAL 741 Cb 0.14 1.88 -0.01 0.00 -2.13 0.00 0.00 31.29 31.16 3gop h VAL 741 CO -0.05 0.53 -0.44 0.24 -1.23 0.00 0.00 177.57 176.63 3gop h MET 742 N 0.18 0.21 0.00 5.19 2.86 -0.85 -2.41 114.93 120.11 3gop h MET 742 Ca 0.00 -0.11 -0.07 0.00 -2.06 0.00 0.00 59.70 57.47 3gop h MET 742 Cb 0.99 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.64 3gop h MET 742 CO 0.08 0.62 -0.35 0.00 1.06 0.00 0.00 176.91 178.32 3gop h ALA 743 N 1.37 0.77 0.00 6.32 0.00 -0.76 -2.79 119.26 124.18 3gop h ALA 743 Ca 0.01 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.58 3gop h ALA 743 Cb 0.85 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 3gop h ALA 743 CO 0.07 0.43 -0.12 0.77 0.00 0.00 0.00 179.25 180.40 3gop h SER 744 N 0.00 0.00 -3.24 0.00 0.02 -0.96 -3.43 113.55 105.95 3gop h SER 744 Ca -0.00 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.42 3gop h SER 744 Cb 1.27 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.82 3gop h SER 744 CO 0.04 0.12 0.59 0.68 -1.14 0.00 0.00 176.83 177.13 3gop s VAL 745 N -3.21 3.75 -0.40 2.27 -7.23 -1.16 -4.97 120.40 109.44 3gop s VAL 745 Ca 0.06 1.31 0.01 0.00 -1.81 0.00 0.00 61.98 61.55 3gop s VAL 745 Cb 0.06 -3.84 0.12 0.00 0.56 0.00 0.00 36.38 33.29 3gop s VAL 745 CO 0.67 0.13 0.19 -0.62 -0.31 0.00 0.00 175.10 175.17 3gop s ASP 746 N 0.80 3.80 -0.03 4.85 3.68 -1.26 -4.81 116.67 123.70 3gop s ASP 746 Ca 0.58 -2.35 -0.10 0.00 2.13 0.00 0.00 52.55 52.81 3gop s ASP 746 Cb -0.32 -1.02 0.02 0.00 -1.45 0.00 0.00 42.92 40.15 3gop s ASP 746 CO 0.32 -0.31 0.23 0.21 0.13 0.00 0.00 175.17 175.74 3gop s ASN 747 N 0.70 -0.13 0.43 -0.34 2.47 -1.26 -5.04 114.94 111.77 3gop s ASN 747 Ca 0.15 0.10 0.30 0.00 0.42 0.00 0.00 52.86 53.83 3gop s ASN 747 Cb -0.22 0.33 1.25 0.00 -1.45 0.00 0.00 41.25 41.16 3gop s ASN 747 CO -0.06 -0.31 1.88 -0.65 -3.72 0.00 0.00 177.10 174.24 3gop h PRO 748 N 4.60 0.00 -0.14 0.43 0.11 -1.98 -3.07 132.00 131.95 3gop h PRO 748 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 3gop h PRO 748 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3gop h PRO 748 CO 0.39 0.00 0.00 0.72 -0.21 0.00 0.00 178.00 178.90 3gop n HIS 749 N -2.72 0.44 -4.69 0.65 8.25 -1.26 -4.78 115.22 111.11 3gop n HIS 749 Ca 0.01 -0.86 -0.24 0.00 -0.26 0.00 0.00 57.72 56.37 3gop n HIS 749 Cb 0.26 -0.20 -0.16 0.00 1.12 0.00 0.00 29.99 31.01 3gop n HIS 749 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3gop s VAL 750 N -2.52 1.22 0.29 1.59 1.01 -1.16 -0.18 120.40 120.65 3gop s VAL 750 Ca 0.33 -0.60 -0.29 0.00 0.00 0.00 0.00 61.98 61.42 3gop s VAL 750 Cb 0.27 -1.06 -0.09 0.00 0.00 0.00 0.00 36.38 35.49 3gop s VAL 750 CO 0.06 0.36 1.09 0.00 0.00 0.00 0.00 175.10 176.61 3gop s ARG 752 N -1.54 2.39 0.31 0.00 3.52 -1.26 -4.66 118.95 117.71 3gop s ARG 752 Ca 0.46 -0.87 -0.30 0.00 -0.13 0.00 0.00 55.73 54.89 3gop s ARG 752 Cb -0.31 -2.44 -0.12 0.00 -1.56 0.00 0.00 34.95 30.53 3gop s ARG 752 CO 0.40 0.55 1.54 -0.11 -0.81 0.00 0.00 175.30 176.87 3gop n LEU 753 N 0.94 4.31 0.01 -0.88 7.94 -1.05 -3.49 117.00 124.77 3gop n LEU 753 Ca -0.13 1.17 -0.21 0.00 -1.11 0.00 0.00 56.01 55.73 3gop n LEU 753 Cb 0.52 -1.58 -0.14 0.00 0.53 0.00 0.00 43.42 42.75 3gop n LEU 753 CO 0.34 0.07 -0.27 0.25 -1.11 0.00 0.00 177.39 176.67 3gop h LEU 754 N 4.24 0.37 0.00 -1.96 7.12 0.97 -3.46 115.31 122.59 3gop h LEU 754 Ca -0.48 -0.87 0.00 0.00 0.13 0.00 0.00 57.88 56.67 3gop h LEU 754 Cb 1.24 -0.12 0.00 0.00 -0.53 0.00 0.00 40.66 41.24 3gop h LEU 754 CO 0.75 1.53 0.00 0.61 -0.13 0.00 0.00 178.44 181.20 3gop n GLY 755 N 1.70 -1.30 3.36 3.75 0.00 -0.98 -4.42 105.19 107.30 3gop n GLY 755 Ca -0.22 -1.00 -0.18 0.00 0.00 0.00 0.00 46.02 44.62 3gop n GLY 755 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3gop s ILE 756 N -2.24 1.10 -0.14 -0.61 -4.36 -0.30 -1.45 121.20 113.20 3gop s ILE 756 Ca 0.00 -2.04 -0.00 0.00 -0.26 0.00 0.00 60.65 58.35 3gop s ILE 756 Cb 0.00 -2.46 0.03 0.00 1.25 0.00 0.00 42.46 41.28 3gop s ILE 756 CO 0.00 -0.24 -0.11 0.00 0.24 0.00 0.00 174.94 174.84 3gop n LEU 758 N 4.85 7.09 -4.84 0.00 4.77 -1.26 -0.93 117.00 126.67 3gop n LEU 758 Ca -0.15 -4.36 -0.30 0.00 -0.03 0.00 0.00 56.01 51.17 3gop n LEU 758 Cb 0.50 -1.30 0.07 0.00 -2.33 0.00 0.00 43.42 40.36 3gop n LEU 758 CO 0.19 1.87 0.73 0.42 -1.33 0.00 0.00 177.39 179.27 3gop s THR 759 N -1.59 3.23 0.32 -5.08 -4.23 -1.26 -4.92 115.64 102.12 3gop s THR 759 Ca 0.58 0.40 0.09 0.00 -1.18 0.00 0.00 61.69 61.58 3gop s THR 759 Cb 0.30 -3.27 0.36 0.00 1.34 0.00 0.00 72.50 71.22 3gop s THR 759 CO -0.16 -0.52 1.61 0.77 -0.54 0.00 0.00 174.62 175.77 3gop h SER 760 N -0.88 0.01 -3.11 3.99 4.64 -2.05 -2.70 113.55 113.44 3gop h SER 760 Ca -0.46 0.24 -0.70 0.00 -0.47 0.00 0.00 61.79 60.40 3gop h SER 760 Cb 1.26 0.32 -0.20 0.00 -0.31 0.00 0.00 62.40 63.48 3gop h SER 760 CO 0.62 -0.30 0.01 -0.89 -0.87 0.00 0.00 176.83 175.40 3gop s THR 761 N -5.80 4.92 0.37 2.95 2.01 -1.26 -5.04 115.64 113.79 3gop s THR 761 Ca -0.11 -0.83 -0.28 0.00 0.31 0.00 0.00 61.69 60.78 3gop s THR 761 Cb 0.30 -4.35 -0.11 0.00 0.01 0.00 0.00 72.50 68.35 3gop s THR 761 CO 0.78 -0.90 1.45 0.54 -0.69 0.00 0.00 174.62 175.80 3gop s VAL 762 N 2.45 2.16 -0.03 3.82 0.11 -1.02 -4.85 120.40 123.05 3gop s VAL 762 Ca 0.11 0.16 0.06 0.00 -2.93 0.00 0.00 61.98 59.39 3gop s VAL 762 Cb -0.22 -3.10 -0.01 0.00 -1.53 0.00 0.00 36.38 31.51 3gop s VAL 762 CO 0.08 0.04 -0.21 -1.10 -3.33 0.00 0.00 175.10 170.59 3gop s GLN 763 N -2.07 1.85 -0.13 1.54 -0.21 -0.11 -3.98 119.66 116.55 3gop s GLN 763 Ca 0.53 -0.74 -0.04 0.00 0.02 0.00 0.00 55.36 55.13 3gop s GLN 763 Cb -0.45 -1.70 -0.03 0.00 1.00 0.00 0.00 33.01 31.82 3gop s GLN 763 CO 0.61 0.39 0.01 -0.51 -2.12 0.00 0.00 175.29 173.68 3gop s LEU 764 N -0.32 3.60 -0.22 2.90 1.43 -0.68 -0.48 118.68 124.91 3gop s LEU 764 Ca 0.04 0.08 0.01 0.00 -1.03 0.00 0.00 54.13 53.23 3gop s LEU 764 Cb -0.10 -1.86 0.05 0.00 0.03 0.00 0.00 46.19 44.32 3gop s LEU 764 CO 0.01 0.28 -0.08 -0.63 0.23 0.00 0.00 176.35 176.15 3gop s ILE 765 N -0.29 1.62 0.21 -0.59 1.01 -0.53 -0.41 121.20 122.22 3gop s ILE 765 Ca 0.07 -1.13 0.10 0.00 0.00 0.00 0.00 60.65 59.69 3gop s ILE 765 Cb -0.12 -1.78 -0.04 0.00 0.01 0.00 0.00 42.46 40.52 3gop s ILE 765 CO 0.02 0.05 -0.14 0.42 0.00 0.00 0.00 174.94 175.28 3gop s THR 766 N 1.38 2.88 0.42 2.92 -4.23 -0.38 0.14 115.64 118.77 3gop s THR 766 Ca -0.04 -1.90 -0.23 0.00 -1.18 0.00 0.00 61.69 58.35 3gop s THR 766 Cb -0.18 -2.44 -0.09 0.00 1.34 0.00 0.00 72.50 71.14 3gop s THR 766 CO -0.07 -0.18 1.03 0.00 -0.54 0.00 0.00 174.62 174.86 3gop s GLN 767 N -2.96 4.09 0.09 3.99 -2.07 -1.23 0.41 119.66 121.98 3gop s GLN 767 Ca 0.25 1.41 0.09 0.00 -1.82 0.00 0.00 55.36 55.29 3gop s GLN 767 Cb -0.08 -2.38 -0.03 0.00 -1.09 0.00 0.00 33.01 29.43 3gop s GLN 767 CO 0.14 -0.19 -0.24 -0.51 -1.32 0.00 0.00 175.29 173.18 3gop s LEU 768 N -2.92 2.25 0.32 2.60 1.43 0.01 -4.60 118.68 117.78 3gop s LEU 768 Ca 0.61 -0.65 -0.18 0.00 -1.03 0.00 0.00 54.13 52.88 3gop s LEU 768 Cb -0.18 -1.10 -0.09 0.00 0.03 0.00 0.00 46.19 44.85 3gop s LEU 768 CO 0.23 0.16 0.78 -0.04 0.23 0.00 0.00 176.35 177.72 3gop s MET 769 N -1.65 4.13 0.34 1.70 -1.94 -1.26 -4.33 119.30 116.30 3gop s MET 769 Ca 0.10 0.83 0.08 0.00 -1.71 0.00 0.00 55.69 55.00 3gop s MET 769 Cb -0.10 -2.50 0.80 0.00 2.01 0.00 0.00 34.83 35.04 3gop s MET 769 CO 0.04 0.18 1.84 -1.00 -0.01 0.00 0.00 175.02 176.07 3gop h PRO 770 N 2.50 0.70 -0.57 2.03 0.13 -1.82 -2.95 132.00 132.01 3gop h PRO 770 Ca -0.48 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 3gop h PRO 770 Cb 1.18 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.15 3gop h PRO 770 CO 0.65 0.46 0.00 1.19 -0.23 0.00 0.00 178.00 180.07 3gop n PHE 771 N -4.60 0.76 -4.04 1.56 3.72 -1.05 -3.12 117.46 110.68 3gop n PHE 771 Ca 0.19 -0.38 0.00 0.00 -0.05 0.00 0.00 57.45 57.21 3gop n PHE 771 Cb 0.50 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.04 3gop n PHE 771 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3gop n GLY 772 N 1.42 -1.64 3.79 1.37 0.00 -1.12 -4.64 105.19 104.38 3gop n GLY 772 Ca 0.19 -1.33 -0.37 0.00 0.00 0.00 0.00 46.02 44.51 3gop n GLY 772 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gop h LEU 774 N 3.27 0.16 -0.04 0.00 5.85 -0.75 -2.24 115.31 121.56 3gop h LEU 774 Ca -0.47 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.22 3gop h LEU 774 Cb 1.19 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 42.18 3gop h LEU 774 CO 0.65 0.25 0.01 0.25 -0.34 0.00 0.00 178.44 179.26 3gop h LEU 775 N 0.17 0.06 -1.25 2.25 5.85 -1.80 -0.81 115.31 119.78 3gop h LEU 775 Ca 0.04 -0.18 0.02 0.00 0.84 0.00 0.00 57.88 58.59 3gop h LEU 775 Cb 0.22 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.19 3gop h LEU 775 CO 0.01 0.22 0.51 0.44 -0.34 0.00 0.00 178.44 179.28 3gop h ASP 776 N -0.11 0.86 -0.35 1.25 3.32 -1.79 -2.80 116.42 116.80 3gop h ASP 776 Ca 0.01 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 3gop h ASP 776 Cb 0.19 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.51 3gop h ASP 776 CO -0.00 0.62 0.15 0.22 -1.72 0.00 0.00 179.24 178.50 3gop h TYR 777 N 1.01 0.52 -0.17 4.55 3.20 -0.80 -1.38 116.97 123.91 3gop h TYR 777 Ca 0.29 -0.03 -0.12 0.00 3.14 0.00 0.00 58.73 62.01 3gop h TYR 777 Cb -0.07 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.03 3gop h TYR 777 CO -0.00 0.47 -0.40 -0.39 -1.64 0.00 0.00 178.16 176.20 3gop h VAL 778 N 0.42 1.30 -0.39 1.81 -1.51 -1.03 0.20 116.25 117.06 3gop h VAL 778 Ca 0.12 -1.53 -0.01 0.00 -1.23 0.00 0.00 66.70 64.05 3gop h VAL 778 Cb 0.16 1.62 -0.02 0.00 -2.13 0.00 0.00 31.29 30.92 3gop h VAL 778 CO -0.01 0.47 0.20 0.03 -1.23 0.00 0.00 177.57 177.03 3gop h ARG 779 N 0.31 0.54 -0.30 5.19 3.08 -1.33 0.23 114.38 122.10 3gop h ARG 779 Ca 0.03 -0.07 -0.10 0.00 0.07 0.00 0.00 59.98 59.91 3gop h ARG 779 Cb 0.84 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.78 3gop h ARG 779 CO 0.07 0.45 -0.21 0.93 -1.07 0.00 0.00 179.97 180.14 3gop h GLU 780 N 0.49 0.68 -0.55 0.04 5.08 -1.07 -3.26 114.58 115.98 3gop h GLU 780 Ca 0.13 -0.33 0.00 0.00 -1.00 0.00 0.00 59.36 58.17 3gop h GLU 780 Cb 0.07 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.32 3gop h GLU 780 CO -0.02 0.93 0.00 0.72 -1.00 0.00 0.00 179.01 179.64 3gop n HIS 781 N -4.32 1.86 -0.29 4.33 8.25 0.69 -4.72 115.22 121.01 3gop n HIS 781 Ca -0.03 -0.73 0.06 0.00 -0.26 0.00 0.00 57.72 56.76 3gop n HIS 781 Cb 0.42 -0.45 0.14 0.00 1.12 0.00 0.00 29.99 31.23 3gop n HIS 781 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 3gop n LYS 782 N 0.57 -0.07 0.00 -0.41 4.81 0.81 -0.25 118.16 123.62 3gop n LYS 782 Ca 0.27 1.28 0.13 0.00 -0.87 0.00 0.00 58.31 59.12 3gop n LYS 782 Cb 1.11 -1.93 0.42 0.00 0.02 0.00 0.00 35.03 34.65 3gop n LYS 782 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 3gop n ASP 783 N -5.31 1.83 -0.63 3.14 8.00 -1.26 -3.97 116.55 118.35 3gop n ASP 783 Ca 0.14 -1.60 0.06 0.00 0.71 0.00 0.00 54.79 54.11 3gop n ASP 783 Cb 0.46 0.01 0.18 0.00 -0.02 0.00 0.00 41.12 41.74 3gop n ASP 783 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3gop n ASN 784 N 0.42 1.68 -4.12 -2.24 4.13 0.65 -4.96 115.26 110.82 3gop n ASN 784 Ca 0.18 -3.58 -0.34 0.00 1.68 0.00 0.00 54.58 52.52 3gop n ASN 784 Cb 0.41 -0.49 -0.14 0.00 -1.54 0.00 0.00 39.78 38.02 3gop n ASN 784 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3gop s ILE 785 N -2.80 2.72 0.80 2.41 1.01 -1.11 -5.07 121.20 119.17 3gop s ILE 785 Ca 0.36 -1.62 -0.12 0.00 0.00 0.00 0.00 60.65 59.28 3gop s ILE 785 Cb 0.36 -2.65 0.07 0.00 0.01 0.00 0.00 42.46 40.25 3gop s ILE 785 CO -0.07 -0.19 1.12 -0.83 0.00 0.00 0.00 174.94 174.97 3gop s GLY 786 N 1.23 1.61 0.42 6.18 0.00 -1.26 -4.93 107.32 110.57 3gop s GLY 786 Ca -0.03 -0.41 0.10 0.00 0.00 0.00 0.00 44.72 44.38 3gop s GLY 786 CO -0.03 0.05 2.01 1.48 0.00 0.00 0.00 173.10 176.61 3gop h SER 787 N -1.06 0.26 0.03 1.64 4.64 -1.90 -2.21 113.55 114.95 3gop h SER 787 Ca -0.47 -0.03 0.01 0.00 -0.47 0.00 0.00 61.79 60.83 3gop h SER 787 Cb 1.29 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 63.30 3gop h SER 787 CO 0.62 0.29 -0.06 -0.61 -0.87 0.00 0.00 176.83 176.20 3gop h GLN 788 N 0.29 -0.12 -0.44 4.77 4.15 -1.93 -1.00 115.11 120.82 3gop h GLN 788 Ca 0.07 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.50 3gop h GLN 788 Cb 0.15 0.03 -0.02 0.00 0.21 0.00 0.00 27.48 27.85 3gop h GLN 788 CO -0.00 -0.08 0.29 1.88 -1.93 0.00 0.00 178.83 178.99 3gop h TYR 789 N -0.13 0.56 -0.01 3.99 0.05 -1.78 -1.81 116.97 117.84 3gop h TYR 789 Ca 0.02 0.01 -0.00 0.00 0.05 0.00 0.00 58.73 58.81 3gop h TYR 789 Cb 0.15 -0.19 -0.00 0.00 1.01 0.00 0.00 36.73 37.70 3gop h TYR 789 CO -0.12 0.35 0.00 -0.07 -1.05 0.00 0.00 178.16 177.28 3gop h LEU 790 N 0.60 0.02 -0.81 3.88 3.38 -1.37 -2.28 115.31 118.73 3gop h LEU 790 Ca 0.16 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 3gop h LEU 790 Cb -0.07 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 40.64 3gop h LEU 790 CO -0.04 0.21 0.39 -0.07 0.09 0.00 0.00 178.44 179.03 3gop h LEU 791 N -0.17 1.06 -0.87 1.67 3.38 -1.10 -2.68 115.31 116.60 3gop h LEU 791 Ca 0.00 -0.13 -0.12 0.00 0.09 0.00 0.00 57.88 57.72 3gop h LEU 791 Cb 0.20 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 3gop h LEU 791 CO -0.00 0.90 -0.45 0.78 0.09 0.00 0.00 178.44 179.76 3gop h ASN 792 N 1.15 0.28 -0.69 -0.43 2.35 -1.27 -2.34 115.58 114.62 3gop h ASN 792 Ca 0.28 -0.12 0.03 0.00 -0.55 0.00 0.00 56.30 55.93 3gop h ASN 792 Cb 0.12 -0.08 -0.04 0.00 0.05 0.00 0.00 38.32 38.37 3gop h ASN 792 CO -0.04 0.69 0.44 -0.50 -1.65 0.00 0.00 177.43 176.37 3gop h TRP 793 N 0.21 0.82 -0.75 1.19 6.55 -1.24 -2.05 115.95 120.68 3gop h TRP 793 Ca 0.02 0.02 -0.03 0.00 0.95 0.00 0.00 58.89 59.85 3gop h TRP 793 Cb 0.88 -0.27 -0.03 0.00 -0.86 0.00 0.00 29.16 28.87 3gop h TRP 793 CO 0.02 0.47 0.35 0.00 -1.05 0.00 0.00 178.44 178.23 3gop h VAL 795 N 1.07 1.01 -0.45 0.00 2.07 -1.10 -1.50 116.25 117.35 3gop h VAL 795 Ca 0.26 -0.22 -0.13 0.00 0.82 0.00 0.00 66.70 67.43 3gop h VAL 795 Cb 0.14 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.23 3gop h VAL 795 CO -0.03 0.12 -0.22 1.56 0.02 0.00 0.00 177.57 179.01 3gop h GLN 796 N 0.63 0.95 -0.71 1.57 4.20 -0.88 0.13 115.11 121.01 3gop h GLN 796 Ca 0.24 -0.42 -0.02 0.00 0.06 0.00 0.00 58.65 58.52 3gop h GLN 796 Cb 0.09 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 27.81 3gop h GLN 796 CO -0.13 1.08 0.38 0.82 -0.67 0.00 0.00 178.83 180.31 3gop h ILE 797 N 0.80 1.22 -0.37 2.54 2.04 -0.85 -1.26 117.51 121.62 3gop h ILE 797 Ca 0.10 -0.55 -0.13 0.00 1.00 0.00 0.00 64.86 65.28 3gop h ILE 797 Cb 0.80 0.27 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 3gop h ILE 797 CO 0.07 0.24 -0.27 0.00 0.00 0.00 0.00 178.15 178.19 3gop h ALA 798 N 1.42 0.81 -0.48 1.87 0.00 -0.71 -1.49 119.26 120.68 3gop h ALA 798 Ca 0.25 -0.40 -0.10 0.00 0.00 0.00 0.00 54.91 54.67 3gop h ALA 798 Cb 0.04 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3gop h ALA 798 CO -0.04 0.64 -0.09 0.87 0.00 0.00 0.00 179.25 180.64 3gop h LYS 799 N 0.67 0.87 -0.34 0.00 1.57 -0.46 0.45 116.57 119.33 3gop h LYS 799 Ca 0.08 -0.29 -0.13 0.00 -1.87 0.00 0.00 60.65 58.44 3gop h LYS 799 Cb 0.80 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.03 3gop h LYS 799 CO 0.07 0.92 -0.29 0.78 -0.57 0.00 0.00 179.45 180.36 3gop h GLY 800 N 0.97 0.87 1.50 3.86 0.00 -1.12 -1.36 103.07 107.80 3gop h GLY 800 Ca 0.13 -0.86 -0.11 0.00 0.00 0.00 0.00 47.33 46.50 3gop h GLY 800 CO 0.04 0.78 -0.26 -0.33 0.00 0.00 0.00 176.54 176.77 3gop h MET 801 N 0.58 0.58 -0.31 4.80 2.86 -0.82 -1.56 114.93 121.05 3gop h MET 801 Ca 0.06 -0.23 -0.10 0.00 -2.06 0.00 0.00 59.70 57.37 3gop h MET 801 Cb 0.86 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.48 3gop h MET 801 CO 0.07 0.78 -0.23 -0.97 1.06 0.00 0.00 176.91 177.63 3gop h ASN 802 N 0.51 0.60 -0.27 1.22 -1.24 0.02 0.39 115.58 116.81 3gop h ASN 802 Ca 0.07 -0.20 -0.03 0.00 0.71 0.00 0.00 56.30 56.85 3gop h ASN 802 Cb 0.71 -0.16 -0.01 0.00 0.73 0.00 0.00 38.32 39.59 3gop h ASN 802 CO 0.05 0.82 0.07 0.22 -1.29 0.00 0.00 177.43 177.31 3gop h TYR 803 N 0.52 0.45 -0.92 0.67 3.20 -0.94 -1.63 116.97 118.33 3gop h TYR 803 Ca 0.08 -0.05 0.07 0.00 3.14 0.00 0.00 58.73 61.97 3gop h TYR 803 Cb 0.68 -0.13 -0.06 0.00 1.54 0.00 0.00 36.73 38.76 3gop h TYR 803 CO 0.03 0.50 0.60 -0.07 -1.64 0.00 0.00 178.16 177.57 3gop h LEU 804 N 0.27 0.91 -0.62 2.82 3.38 -0.69 -1.81 115.31 119.57 3gop h LEU 804 Ca 0.09 0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.10 3gop h LEU 804 Cb 0.27 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 3gop h LEU 804 CO -0.00 0.57 0.38 -0.08 0.09 0.00 0.00 178.44 179.40 3gop h GLU 805 N 1.02 0.73 -0.26 1.13 4.81 -0.42 -0.55 114.58 121.04 3gop h GLU 805 Ca 0.40 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.57 3gop h GLU 805 Cb 0.24 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 3gop h GLU 805 CO -0.16 0.48 0.07 -0.44 -0.73 0.00 0.00 179.01 178.23 3gop h ASP 806 N 0.75 0.33 -0.21 1.04 3.32 -0.50 -0.32 116.42 120.83 3gop h ASP 806 Ca 0.25 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.27 3gop h ASP 806 Cb 0.03 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.49 3gop h ASP 806 CO -0.11 0.34 0.00 0.54 -1.72 0.00 0.00 179.24 178.30 3gop n ARG 807 N -4.39 1.76 -3.56 3.56 1.74 -0.84 -4.93 116.66 110.00 3gop n ARG 807 Ca 0.01 -1.15 -0.25 0.00 -0.77 0.00 0.00 57.85 55.68 3gop n ARG 807 Cb 0.16 -1.37 0.05 0.00 -1.02 0.00 0.00 32.46 30.28 3gop n ARG 807 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3gop n ARG 808 N 0.38 -6.53 -3.80 5.56 1.74 -0.13 -5.01 116.66 108.88 3gop n ARG 808 Ca 0.15 0.77 -0.36 0.00 -0.77 0.00 0.00 57.85 57.64 3gop n ARG 808 Cb 0.33 -5.73 -0.11 0.00 -1.02 0.00 0.00 32.46 25.93 3gop n ARG 808 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3gop s LEU 809 N -7.15 3.73 -0.23 0.55 1.43 -0.28 -5.02 118.68 111.71 3gop s LEU 809 Ca 0.55 -0.05 -0.18 0.00 -1.03 0.00 0.00 54.13 53.42 3gop s LEU 809 Cb -0.25 -1.99 -0.03 0.00 0.03 0.00 0.00 46.19 43.95 3gop s LEU 809 CO 0.68 0.04 0.49 -0.69 0.23 0.00 0.00 176.35 177.09 3gop s VAL 810 N 1.19 5.11 0.02 -1.59 1.01 -1.26 -4.28 120.40 120.60 3gop s VAL 810 Ca 0.05 0.86 -0.25 0.00 0.00 0.00 0.00 61.98 62.64 3gop s VAL 810 Cb -0.14 -3.81 -0.17 0.00 0.00 0.00 0.00 36.38 32.26 3gop s VAL 810 CO 0.04 0.15 1.40 -0.74 0.00 0.00 0.00 175.10 175.95 3gop h HIS 811 N 7.73 -0.21 0.00 5.22 2.76 -1.96 -3.48 115.15 125.21 3gop h HIS 811 Ca -0.32 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.85 3gop h HIS 811 Cb 1.15 0.07 0.00 0.00 1.55 0.00 0.00 27.41 30.18 3gop h HIS 811 CO 0.72 0.08 0.00 0.54 -1.30 0.00 0.00 177.93 177.97 3gop n ARG 812 N -5.07 0.00 -2.70 5.26 1.74 -1.26 -4.79 116.66 109.84 3gop n ARG 812 Ca -0.09 0.00 -0.06 0.00 -0.77 0.00 0.00 57.85 56.93 3gop n ARG 812 Cb 0.21 -1.73 0.08 0.00 -1.02 0.00 0.00 32.46 30.00 3gop n ARG 812 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3gop n ASP 813 N 0.00 -0.36 -4.70 0.55 2.03 -1.26 -4.92 116.55 107.89 3gop n ASP 813 Ca 0.00 -2.45 -0.42 0.00 0.52 0.00 0.00 54.79 52.44 3gop n ASP 813 Cb 0.00 0.30 -0.03 0.00 -0.72 0.00 0.00 41.12 40.67 3gop n ASP 813 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 3gop s LEU 814 N -3.39 4.32 0.20 -2.67 2.96 -1.26 -4.86 118.68 113.98 3gop s LEU 814 Ca 0.22 2.02 -0.20 0.00 -0.22 0.00 0.00 54.13 55.96 3gop s LEU 814 Cb 0.42 -3.57 0.04 0.00 0.50 0.00 0.00 46.19 43.58 3gop s LEU 814 CO -0.05 -0.62 0.59 0.00 -1.32 0.00 0.00 176.35 174.95 3gop s ALA 815 N 1.91 -1.18 0.37 5.97 0.00 -1.26 -4.64 121.76 122.93 3gop s ALA 815 Ca 0.60 -0.04 0.06 0.00 0.00 0.00 0.00 51.96 52.59 3gop s ALA 815 Cb -0.29 0.86 0.77 0.00 0.00 0.00 0.00 23.12 24.46 3gop s ALA 815 CO 0.26 -0.85 1.97 0.00 0.00 0.00 0.00 175.76 177.15 3gop h ALA 816 N 2.10 1.72 0.00 0.00 0.00 -1.94 0.65 119.26 121.80 3gop h ALA 816 Ca -0.28 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3gop h ALA 816 Cb 1.27 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.88 3gop h ALA 816 CO 0.34 0.18 0.00 0.07 0.00 0.00 0.00 179.25 179.84 3gop h ARG 817 N 0.71 0.00 -0.53 0.00 0.11 -1.95 -2.55 114.38 110.18 3gop h ARG 817 Ca 0.29 0.00 -0.17 0.00 0.10 0.00 0.00 59.98 60.20 3gop h ARG 817 Cb 0.23 0.00 -0.10 0.00 1.11 0.00 0.00 29.97 31.21 3gop h ARG 817 CO -0.09 0.00 0.14 0.09 0.10 0.00 0.00 179.97 180.21 3gop n ASN 818 N -2.52 3.96 -4.24 0.08 3.02 0.23 -4.73 115.26 111.04 3gop n ASN 818 Ca 0.00 -3.32 -0.28 0.00 -0.03 0.00 0.00 54.58 50.95 3gop n ASN 818 Cb 0.17 -0.67 -0.15 0.00 -0.61 0.00 0.00 39.78 38.51 3gop n ASN 818 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3gop s VAL 819 N -3.03 1.73 0.07 2.41 1.01 -0.97 -0.73 120.40 120.89 3gop s VAL 819 Ca 0.49 -0.99 0.09 0.00 0.00 0.00 0.00 61.98 61.58 3gop s VAL 819 Cb 0.41 -1.45 -0.03 0.00 0.00 0.00 0.00 36.38 35.31 3gop s VAL 819 CO 0.09 0.44 -0.26 -0.76 0.00 0.00 0.00 175.10 174.61 3gop s LEU 820 N -0.65 2.22 -0.59 3.92 1.43 0.12 -0.42 118.68 124.71 3gop s LEU 820 Ca 0.08 -0.63 -0.21 0.00 -1.03 0.00 0.00 54.13 52.34 3gop s LEU 820 Cb -0.08 -1.21 0.07 0.00 0.03 0.00 0.00 46.19 45.00 3gop s LEU 820 CO -0.00 0.21 0.80 -0.69 0.23 0.00 0.00 176.35 176.90 3gop s VAL 821 N -0.89 4.61 0.02 -1.59 1.01 0.10 -1.18 120.40 122.48 3gop s VAL 821 Ca 0.12 -0.49 -0.22 0.00 0.00 0.00 0.00 61.98 61.38 3gop s VAL 821 Cb -0.10 -4.51 -0.16 0.00 0.00 0.00 0.00 36.38 31.61 3gop s VAL 821 CO 0.03 -1.15 1.36 0.50 0.00 0.00 0.00 175.10 175.84 3gop h LYS 822 N 9.28 0.21 -3.81 2.72 3.64 -1.54 -2.79 116.57 124.29 3gop h LYS 822 Ca -0.28 -0.10 -0.09 0.00 -1.27 0.00 0.00 60.65 58.91 3gop h LYS 822 Cb 1.08 -0.00 -0.10 0.00 -0.41 0.00 0.00 32.23 32.79 3gop h LYS 822 CO 1.09 0.59 -0.21 0.95 -2.27 0.00 0.00 179.45 179.60 3gop s THR 823 N -4.48 0.01 0.59 1.00 -4.23 -1.11 -4.63 115.64 102.79 3gop s THR 823 Ca -0.15 -1.48 0.29 0.00 -1.18 0.00 0.00 61.69 59.17 3gop s THR 823 Cb 0.04 -2.19 0.36 0.00 1.34 0.00 0.00 72.50 72.05 3gop s THR 823 CO 0.72 -0.03 2.09 -0.65 -0.54 0.00 0.00 174.62 176.21 3gop h PRO 824 N 2.34 0.00 -0.11 3.99 0.11 -2.01 -1.57 132.00 134.75 3gop h PRO 824 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 3gop h PRO 824 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3gop h PRO 824 CO 0.39 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.18 3gop n GLN 825 N -3.80 1.63 -4.28 1.05 10.64 -1.26 -4.88 117.38 116.49 3gop n GLN 825 Ca 0.02 -1.67 -0.29 0.00 -1.83 0.00 0.00 57.00 53.22 3gop n GLN 825 Cb 0.34 -1.34 -0.17 0.00 -0.86 0.00 0.00 30.24 28.21 3gop n GLN 825 CO 0.00 0.00 0.00 -1.58 -1.83 0.00 0.00 177.06 173.65 3gop s HIS 826 N -1.36 2.11 0.17 2.61 2.46 -0.59 -4.93 115.29 115.76 3gop s HIS 826 Ca 0.23 -1.09 0.10 0.00 0.47 0.00 0.00 55.06 54.77 3gop s HIS 826 Cb 0.15 -1.53 -0.04 0.00 -0.13 0.00 0.00 32.58 31.03 3gop s HIS 826 CO 0.22 -0.57 -0.22 0.14 -2.47 0.00 0.00 174.74 171.84 3gop s VAL 827 N 1.20 2.10 -0.01 0.89 -7.23 -1.26 -1.37 120.40 114.72 3gop s VAL 827 Ca -0.01 -1.91 0.01 0.00 -1.81 0.00 0.00 61.98 58.26 3gop s VAL 827 Cb -0.14 -1.96 -0.00 0.00 0.56 0.00 0.00 36.38 34.84 3gop s VAL 827 CO -0.06 -0.15 -0.05 -0.54 -0.31 0.00 0.00 175.10 173.99 3gop s LYS 828 N -2.56 0.44 -0.06 4.82 1.02 -0.33 -4.54 119.74 118.53 3gop s LYS 828 Ca 0.17 -0.16 -0.30 0.00 0.02 0.00 0.00 55.97 55.70 3gop s LYS 828 Cb -0.08 -0.44 -0.02 0.00 -0.52 0.00 0.00 37.83 36.77 3gop s LYS 828 CO 0.08 0.08 1.02 0.42 -0.92 0.00 0.00 175.35 176.03 3gop s ILE 829 N 0.03 4.74 0.42 2.17 1.01 0.75 0.12 121.20 130.44 3gop s ILE 829 Ca 0.00 1.99 -0.18 0.00 0.00 0.00 0.00 60.65 62.47 3gop s ILE 829 Cb -0.04 -4.28 -0.10 0.00 0.01 0.00 0.00 42.46 38.06 3gop s ILE 829 CO -0.00 0.06 0.89 0.28 0.00 0.00 0.00 174.94 176.17 3gop s THR 830 N 1.64 4.52 0.39 2.92 -1.32 0.10 -1.45 115.64 122.43 3gop s THR 830 Ca 0.51 1.24 -0.23 0.00 -1.21 0.00 0.00 61.69 61.99 3gop s THR 830 Cb -0.20 -3.64 -0.14 0.00 -1.51 0.00 0.00 72.50 67.01 3gop s THR 830 CO 0.22 -0.38 0.46 0.47 -2.21 0.00 0.00 174.62 173.19 3gop n ASP 831 N -0.82 -1.26 -4.35 8.08 9.92 -1.26 -4.86 116.55 122.00 3gop n ASP 831 Ca 0.06 0.92 -0.43 0.00 -0.53 0.00 0.00 54.79 54.81 3gop n ASP 831 Cb 0.54 -1.05 0.00 0.00 -0.64 0.00 0.00 41.12 39.97 3gop n ASP 831 CO 0.00 0.00 0.00 2.22 0.13 0.00 0.00 177.20 179.55 3gop n PHE 832 N -0.75 4.38 0.00 1.24 1.16 -1.26 -5.12 117.46 117.11 3gop n PHE 832 Ca 0.12 -2.94 0.00 0.00 -1.87 0.00 0.00 57.45 52.76 3gop n PHE 832 Cb 0.38 -2.52 0.00 0.00 -1.61 0.00 0.00 39.48 35.72 3gop n PHE 832 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 3gop n GLY 833 N 4.80 -1.67 3.66 4.97 0.00 -1.26 -5.15 105.19 110.54 3gop n GLY 833 Ca 0.47 1.00 -0.35 0.00 0.00 0.00 0.00 46.02 47.15 3gop n GLY 833 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3gop s VAL 852 N 0.00 4.94 -1.17 1.61 -7.23 -1.26 -5.13 120.40 112.16 3gop s VAL 852 Ca 0.00 0.02 -0.18 0.00 -1.81 0.00 0.00 61.98 60.01 3gop s VAL 852 Cb 0.00 -3.24 0.10 0.00 0.56 0.00 0.00 36.38 33.80 3gop s VAL 852 CO 0.00 0.45 1.53 -2.16 -0.31 0.00 0.00 175.10 174.62 3gop s PRO 853 N 0.39 3.88 0.29 4.82 0.04 -1.26 -4.87 135.00 138.29 3gop s PRO 853 Ca 0.04 -1.91 0.05 0.00 0.04 0.00 0.00 61.00 59.23 3gop s PRO 853 Cb -0.12 -5.32 0.73 0.00 0.04 0.00 0.00 34.50 29.83 3gop s PRO 853 CO -0.00 -2.08 1.73 0.82 0.04 0.00 0.00 177.00 177.51 3gop h ILE 854 N 5.67 0.59 0.00 0.56 1.08 -1.98 -2.04 117.51 121.39 3gop h ILE 854 Ca 0.33 -0.19 0.00 0.00 -0.39 0.00 0.00 64.86 64.61 3gop h ILE 854 Cb 0.92 -0.03 0.00 0.00 -3.07 0.00 0.00 36.82 34.64 3gop h ILE 854 CO 1.36 0.10 0.00 0.29 -0.69 0.00 0.00 178.15 179.22 3gop n LYS 855 N -4.91 0.10 0.00 2.37 5.02 -1.26 -1.59 118.16 117.89 3gop n LYS 855 Ca 0.23 0.27 0.07 0.00 -2.02 0.00 0.00 58.31 56.86 3gop n LYS 855 Cb 0.62 -1.67 -0.07 0.00 -0.02 0.00 0.00 35.03 33.89 3gop n LYS 855 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 3gop n TRP 856 N -1.86 0.00 -2.69 2.13 8.01 -0.80 -4.94 117.44 117.30 3gop n TRP 856 Ca 0.04 0.00 -0.36 0.00 -1.31 0.00 0.00 57.50 55.87 3gop n TRP 856 Cb 0.25 0.00 -0.05 0.00 -2.01 0.00 0.00 31.31 29.49 3gop n TRP 856 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.69 175.04 3gop s MET 857 N -2.26 4.29 0.66 -0.99 -1.94 -0.62 -3.73 119.30 114.71 3gop s MET 857 Ca 0.07 1.34 -0.15 0.00 -1.71 0.00 0.00 55.69 55.24 3gop s MET 857 Cb 0.11 -2.50 0.00 0.00 2.01 0.00 0.00 34.83 34.46 3gop s MET 857 CO 0.55 -0.00 1.13 0.00 -0.01 0.00 0.00 175.02 176.69 3gop s ALA 858 N -1.80 2.42 0.13 3.03 0.00 -1.26 -4.87 121.76 119.40 3gop s ALA 858 Ca 0.57 0.65 -0.19 0.00 0.00 0.00 0.00 51.96 52.99 3gop s ALA 858 Cb -0.17 -3.36 -0.04 0.00 0.00 0.00 0.00 23.12 19.55 3gop s ALA 858 CO 0.22 -1.36 1.78 1.25 0.00 0.00 0.00 175.76 177.66 3gop h LEU 859 N 0.07 0.27 -1.84 0.00 5.85 -1.93 -1.53 115.31 116.20 3gop h LEU 859 Ca -0.47 -0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.25 3gop h LEU 859 Cb 1.26 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 42.22 3gop h LEU 859 CO 0.53 0.20 0.12 1.05 -0.34 0.00 0.00 178.44 180.00 3gop h GLU 860 N 0.33 0.21 -0.20 1.25 9.09 -1.90 0.05 114.58 123.41 3gop h GLU 860 Ca 0.10 -0.01 -0.07 0.00 0.05 0.00 0.00 59.36 59.42 3gop h GLU 860 Cb -0.02 -0.05 -0.00 0.00 -1.65 0.00 0.00 28.75 27.02 3gop h GLU 860 CO -0.03 0.14 -0.16 0.77 0.05 0.00 0.00 179.01 179.78 3gop h SER 861 N 0.21 0.49 -0.28 3.06 0.02 -1.36 -0.25 113.55 115.44 3gop h SER 861 Ca 0.07 -0.45 -0.03 0.00 -0.84 0.00 0.00 61.79 60.54 3gop h SER 861 Cb 0.01 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.41 3gop h SER 861 CO -0.01 0.84 0.07 0.40 -1.14 0.00 0.00 176.83 176.98 3gop h ILE 862 N 0.14 1.21 -0.06 3.27 2.04 -0.66 0.12 117.51 123.57 3gop h ILE 862 Ca 0.04 -0.69 -0.09 0.00 1.00 0.00 0.00 64.86 65.11 3gop h ILE 862 Cb 0.68 1.14 0.00 0.00 -0.74 0.00 0.00 36.82 37.91 3gop h ILE 862 CO 0.04 0.23 -0.33 -0.07 0.00 0.00 0.00 178.15 178.02 3gop h LEU 863 N 0.28 0.40 -2.56 1.44 3.38 -1.01 -3.38 115.31 113.86 3gop h LEU 863 Ca 0.09 -0.66 0.00 0.00 0.09 0.00 0.00 57.88 57.40 3gop h LEU 863 Cb 0.27 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.91 3gop h LEU 863 CO 0.00 0.99 -0.03 1.41 0.09 0.00 0.00 178.44 180.91 3gop n HIS 864 N -4.42 0.00 -1.17 1.13 8.25 -0.11 -4.99 115.22 113.91 3gop n HIS 864 Ca -0.08 -0.46 -0.09 0.00 -0.26 0.00 0.00 57.72 56.83 3gop n HIS 864 Cb 0.51 -0.06 -0.04 0.00 1.12 0.00 0.00 29.99 31.52 3gop n HIS 864 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3gop n ARG 865 N -0.53 -1.68 -2.10 -0.41 5.12 0.03 -4.95 116.66 112.15 3gop n ARG 865 Ca 0.03 0.72 -0.42 0.00 -1.93 0.00 0.00 57.85 56.25 3gop n ARG 865 Cb 0.39 -4.95 -0.03 0.00 -1.16 0.00 0.00 32.46 26.71 3gop n ARG 865 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 3gop s ILE 866 N -1.66 3.26 -0.08 0.55 1.01 -1.19 -4.93 121.20 118.16 3gop s ILE 866 Ca 0.00 0.81 0.02 0.00 0.00 0.00 0.00 60.65 61.48 3gop s ILE 866 Cb 0.00 -3.52 0.01 0.00 0.01 0.00 0.00 42.46 38.96 3gop s ILE 866 CO 0.00 0.03 -0.14 -0.31 0.00 0.00 0.00 174.94 174.53 3gop s TYR 867 N 1.79 1.63 0.22 3.97 1.51 -1.26 -3.54 117.35 121.67 3gop s TYR 867 Ca 0.67 -0.64 -0.06 0.00 -1.01 0.00 0.00 57.07 56.03 3gop s TYR 867 Cb -0.37 -1.19 -0.03 0.00 -0.11 0.00 0.00 41.96 40.27 3gop s TYR 867 CO 0.30 -0.32 0.28 0.95 -1.11 0.00 0.00 175.55 175.64 3gop s THR 868 N 0.71 0.00 0.55 -0.71 -4.23 -1.26 -4.97 115.64 105.73 3gop s THR 868 Ca -0.13 -1.75 0.24 0.00 -1.18 0.00 0.00 61.69 58.86 3gop s THR 868 Cb -0.16 -2.38 0.35 0.00 1.34 0.00 0.00 72.50 71.65 3gop s THR 868 CO 0.03 0.00 2.08 0.45 -0.54 0.00 0.00 174.62 176.64 3gop h HIS 869 N 2.46 0.00 0.00 3.99 3.86 -1.99 0.21 115.15 123.69 3gop h HIS 869 Ca -0.32 0.00 -0.12 0.00 -1.16 0.00 0.00 60.37 58.77 3gop h HIS 869 Cb 1.25 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.70 3gop h HIS 869 CO 0.37 0.00 -0.56 1.96 0.86 0.00 0.00 177.93 180.56 3gop h GLN 870 N 0.00 0.00 -0.16 2.45 1.08 -1.95 -1.89 115.11 114.63 3gop h GLN 870 Ca 0.12 0.00 -0.14 0.00 -1.45 0.00 0.00 58.65 57.19 3gop h GLN 870 Cb 0.54 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.96 3gop h GLN 870 CO -0.00 0.56 -0.48 0.66 -0.95 0.00 0.00 178.83 178.62 3gop h SER 871 N 0.00 0.46 -0.12 1.46 4.64 -1.37 -2.92 113.55 115.70 3gop h SER 871 Ca -0.01 -0.22 -0.04 0.00 -0.47 0.00 0.00 61.79 61.05 3gop h SER 871 Cb 1.32 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 63.26 3gop h SER 871 CO 0.07 0.87 -0.04 0.44 -0.87 0.00 0.00 176.83 177.30 3gop h ASP 872 N 0.34 0.36 -0.71 4.97 3.32 -0.74 -2.66 116.42 121.28 3gop h ASP 872 Ca 0.02 -0.06 -0.03 0.00 0.02 0.00 0.00 57.03 56.97 3gop h ASP 872 Cb 0.97 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 40.40 3gop h ASP 872 CO 0.08 0.45 0.31 0.58 -1.72 0.00 0.00 179.24 178.95 3gop h VAL 873 N 0.37 1.24 -0.31 -1.35 2.07 -1.18 0.46 116.25 117.55 3gop h VAL 873 Ca 0.08 -0.72 0.01 0.00 0.82 0.00 0.00 66.70 66.89 3gop h VAL 873 Cb 0.32 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.45 3gop h VAL 873 CO 0.01 0.30 0.18 -0.25 0.02 0.00 0.00 177.57 177.83 3gop h TRP 874 N 1.01 0.33 -0.84 1.57 2.91 -1.37 0.14 115.95 119.70 3gop h TRP 874 Ca 0.24 0.01 -0.02 0.00 1.13 0.00 0.00 58.89 60.25 3gop h TRP 874 Cb 0.17 -0.11 -0.04 0.00 -0.51 0.00 0.00 29.16 28.67 3gop h TRP 874 CO 0.01 0.20 0.43 0.77 -1.03 0.00 0.00 178.44 178.82 3gop h SER 875 N 0.37 1.07 -0.95 2.65 0.02 -1.09 -1.22 113.55 114.39 3gop h SER 875 Ca 0.12 -0.12 0.05 0.00 -0.84 0.00 0.00 61.79 61.00 3gop h SER 875 Cb -0.00 -0.27 -0.06 0.00 0.14 0.00 0.00 62.40 62.21 3gop h SER 875 CO -0.06 0.88 0.61 0.22 -1.14 0.00 0.00 176.83 177.34 3gop h TYR 876 N 1.17 1.14 -0.34 3.45 3.20 0.47 -0.79 116.97 125.26 3gop h TYR 876 Ca 0.29 0.03 0.03 0.00 3.14 0.00 0.00 58.73 62.22 3gop h TYR 876 Cb 0.07 -0.37 -0.03 0.00 1.54 0.00 0.00 36.73 37.94 3gop h TYR 876 CO 0.01 0.62 0.16 0.78 -1.64 0.00 0.00 178.16 178.09 3gop h GLY 877 N 1.14 0.46 0.99 1.82 0.00 0.33 0.58 103.07 108.39 3gop h GLY 877 Ca 0.39 -0.11 -0.02 0.00 0.00 0.00 0.00 47.33 47.59 3gop h GLY 877 CO -0.15 0.08 0.32 -2.08 0.00 0.00 0.00 176.54 174.72 3gop h VAL 878 N 0.34 1.21 -0.35 4.60 2.07 -0.86 -2.47 116.25 120.79 3gop h VAL 878 Ca 0.15 -0.55 -0.10 0.00 0.82 0.00 0.00 66.70 67.02 3gop h VAL 878 Cb 0.07 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 30.25 3gop h VAL 878 CO -0.11 0.23 -0.18 0.00 0.02 0.00 0.00 177.57 177.53 3gop h THR 879 N 0.85 1.26 -0.88 2.57 1.03 -0.66 -0.80 112.91 116.27 3gop h THR 879 Ca 0.22 -1.22 0.02 0.00 -0.01 0.00 0.00 66.41 65.42 3gop h THR 879 Cb 0.08 1.19 -0.05 0.00 -1.07 0.00 0.00 68.15 68.30 3gop h THR 879 CO -0.03 0.40 0.58 0.58 -0.01 0.00 0.00 175.52 177.04 3gop h VAL 880 N 0.58 1.20 -0.54 0.00 2.07 -0.74 -2.00 116.25 116.81 3gop h VAL 880 Ca 0.09 -0.40 0.02 0.00 0.82 0.00 0.00 66.70 67.24 3gop h VAL 880 Cb 0.63 -0.07 -0.04 0.00 -1.52 0.00 0.00 31.29 30.29 3gop h VAL 880 CO 0.04 0.21 0.33 -0.25 0.02 0.00 0.00 177.57 177.93 3gop h TRP 881 N 1.17 0.62 -0.66 1.57 7.01 -0.83 -1.58 115.95 123.24 3gop h TRP 881 Ca 0.33 0.02 0.07 0.00 2.11 0.00 0.00 58.89 61.43 3gop h TRP 881 Cb -0.08 -0.20 -0.06 0.00 -2.10 0.00 0.00 29.16 26.71 3gop h TRP 881 CO -0.01 0.35 0.34 0.93 -2.79 0.00 0.00 178.44 177.26 3gop h GLU 882 N 0.65 0.58 -0.11 2.65 5.08 -0.48 -1.24 114.58 121.72 3gop h GLU 882 Ca 0.22 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.54 3gop h GLU 882 Cb 0.02 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.13 3gop h GLU 882 CO -0.09 0.39 0.05 -0.07 -1.00 0.00 0.00 179.01 178.28 3gop h LEU 883 N 0.60 0.14 -2.26 1.33 3.38 -0.91 0.18 115.31 117.78 3gop h LEU 883 Ca 0.31 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 3gop h LEU 883 Cb 0.27 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 3gop h LEU 883 CO -0.23 0.25 -0.05 0.24 0.09 0.00 0.00 178.44 178.74 3gop h MET 884 N 0.03 0.00 -0.59 1.13 2.86 -0.95 -0.51 114.93 116.89 3gop h MET 884 Ca 0.04 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 3gop h MET 884 Cb 0.15 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.81 3gop h MET 884 CO -0.00 0.05 0.00 0.25 1.06 0.00 0.00 176.91 178.27 3gop n THR 885 N -3.67 0.79 -3.38 2.22 -2.24 -0.50 -4.72 114.28 102.78 3gop n THR 885 Ca -0.02 -0.87 -0.25 0.00 -2.27 0.00 0.00 64.05 60.64 3gop n THR 885 Cb 0.15 0.63 0.02 0.00 -2.10 0.00 0.00 70.33 69.03 3gop n THR 885 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 3gop n PHE 886 N 1.51 -2.05 0.00 4.78 3.72 -0.20 -3.31 117.46 121.91 3gop n PHE 886 Ca 0.22 0.62 0.00 0.00 -0.05 0.00 0.00 57.45 58.24 3gop n PHE 886 Cb 0.59 -3.87 0.00 0.00 -0.94 0.00 0.00 39.48 35.26 3gop n PHE 886 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3gop n GLY 887 N -1.47 1.06 3.61 1.37 0.00 0.60 -3.60 105.19 106.76 3gop n GLY 887 Ca -0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.63 3gop n GLY 887 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3gop n SER 888 N 0.00 0.47 -4.74 1.61 2.88 -1.21 -4.98 113.62 107.66 3gop n SER 888 Ca 0.00 0.69 -0.38 0.00 -1.33 0.00 0.00 58.87 57.85 3gop n SER 888 Cb 0.00 -1.40 -0.06 0.00 -0.75 0.00 0.00 64.21 62.00 3gop n SER 888 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 3gop s LYS 889 N -3.22 4.31 0.24 -1.46 1.02 -1.26 -4.79 119.74 114.58 3gop s LYS 889 Ca 0.74 0.51 -0.30 0.00 0.02 0.00 0.00 55.97 56.93 3gop s LYS 889 Cb -0.36 -3.41 -0.10 0.00 -0.52 0.00 0.00 37.83 33.45 3gop s LYS 889 CO 0.50 0.22 1.38 -1.25 -0.92 0.00 0.00 175.35 175.28 3gop s PRO 890 N 0.40 4.32 -1.28 -1.68 0.04 -1.26 -3.90 135.00 131.64 3gop s PRO 890 Ca 0.27 2.21 -0.01 0.00 0.04 0.00 0.00 61.00 63.51 3gop s PRO 890 Cb -0.16 -3.13 -0.00 0.00 0.04 0.00 0.00 34.50 31.25 3gop s PRO 890 CO 0.12 -0.34 0.75 0.66 0.04 0.00 0.00 177.00 178.23 3gop n TYR 891 N 2.28 -1.96 -2.15 0.56 4.02 -1.26 -4.82 117.16 113.83 3gop n TYR 891 Ca 0.06 0.84 -0.42 0.00 -0.01 0.00 0.00 57.90 58.37 3gop n TYR 891 Cb 0.41 -4.46 -0.03 0.00 -0.02 0.00 0.00 39.34 35.24 3gop n TYR 891 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 3gop s ASP 892 N -4.31 6.80 -0.15 7.72 2.15 -1.25 -1.62 116.67 126.00 3gop s ASP 892 Ca 0.03 2.32 0.00 0.00 0.43 0.00 0.00 52.55 55.32 3gop s ASP 892 Cb -0.01 -2.58 0.00 0.00 -0.30 0.00 0.00 42.92 40.03 3gop s ASP 892 CO 0.80 -0.69 0.00 0.61 -0.17 0.00 0.00 175.17 175.72 3gop n GLY 893 N 3.58 0.30 3.74 2.66 0.00 -1.26 -4.98 105.19 109.22 3gop n GLY 893 Ca 0.12 -0.04 -0.39 0.00 0.00 0.00 0.00 46.02 45.71 3gop n GLY 893 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gop s ILE 894 N -1.46 4.96 0.44 -0.61 1.01 -0.64 -5.04 121.20 119.86 3gop s ILE 894 Ca 0.00 1.38 -0.26 0.00 0.00 0.00 0.00 60.65 61.77 3gop s ILE 894 Cb 0.00 -4.00 -0.09 0.00 0.01 0.00 0.00 42.46 38.38 3gop s ILE 894 CO 0.00 0.33 1.40 -2.65 0.00 0.00 0.00 174.94 174.02 3gop n PRO 895 N 3.28 2.20 -0.25 2.79 -0.02 -1.26 -4.89 135.00 136.85 3gop n PRO 895 Ca -0.04 0.78 0.04 0.00 -2.02 0.00 0.00 63.50 62.26 3gop n PRO 895 Cb 0.51 -2.57 0.16 0.00 -0.02 0.00 0.00 33.50 31.58 3gop n PRO 895 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3gop h ALA 896 N 2.29 1.02 -0.38 3.55 0.00 -1.96 -1.50 119.26 122.27 3gop h ALA 896 Ca -0.50 0.09 0.11 0.00 0.00 0.00 0.00 54.91 54.61 3gop h ALA 896 Cb 1.27 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.08 3gop h ALA 896 CO 0.61 -0.15 0.29 0.66 0.00 0.00 0.00 179.25 180.66 3gop h SER 897 N 0.50 0.00 1.28 0.00 4.64 -2.03 -1.31 113.55 116.62 3gop h SER 897 Ca 0.39 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.63 3gop h SER 897 Cb 0.52 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.60 3gop h SER 897 CO -0.35 0.00 -0.75 -0.33 -0.87 0.00 0.00 176.83 174.53 3gop h GLU 898 N 0.00 0.00 -0.63 4.77 5.08 -1.64 -3.40 114.58 118.77 3gop h GLU 898 Ca 0.18 0.00 0.12 0.00 -1.00 0.00 0.00 59.36 58.66 3gop h GLU 898 Cb 0.77 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.93 3gop h GLU 898 CO -0.00 0.23 0.16 0.82 -1.00 0.00 0.00 179.01 179.22 3gop h ILE 899 N 0.00 0.65 -0.44 3.13 5.03 -1.07 -1.99 117.51 122.81 3gop h ILE 899 Ca -0.04 -0.10 0.09 0.00 -0.12 0.00 0.00 64.86 64.68 3gop h ILE 899 Cb 1.27 0.32 -0.09 0.00 -3.03 0.00 0.00 36.82 35.30 3gop h ILE 899 CO 0.03 0.05 -0.12 -1.28 -0.68 0.00 0.00 178.15 176.15 3gop h SER 900 N 0.30 -0.45 -0.18 1.72 0.87 -1.77 -1.69 113.55 112.35 3gop h SER 900 Ca 0.33 0.14 -0.01 0.00 -1.23 0.00 0.00 61.79 61.02 3gop h SER 900 Cb 0.49 0.29 -0.01 0.00 -0.44 0.00 0.00 62.40 62.73 3gop h SER 900 CO -0.40 -0.16 0.07 0.28 -0.53 0.00 0.00 176.83 176.09 3gop h SER 901 N -0.02 0.25 -1.01 6.23 0.02 -1.65 -2.49 113.55 114.90 3gop h SER 901 Ca 0.21 -0.17 0.18 0.00 -0.84 0.00 0.00 61.79 61.17 3gop h SER 901 Cb 0.34 -0.07 -0.10 0.00 0.14 0.00 0.00 62.40 62.71 3gop h SER 901 CO -0.47 0.36 0.62 0.40 -1.14 0.00 0.00 176.83 176.60 3gop h ILE 902 N 0.13 0.74 -0.64 3.27 2.04 -1.35 -1.33 117.51 120.37 3gop h ILE 902 Ca 0.06 -0.28 -0.08 0.00 1.00 0.00 0.00 64.86 65.56 3gop h ILE 902 Cb 0.18 -0.13 -0.02 0.00 -0.74 0.00 0.00 36.82 36.11 3gop h ILE 902 CO -0.00 0.15 0.08 -0.07 0.00 0.00 0.00 178.15 178.30 3gop h LEU 903 N 0.80 1.04 -0.73 1.44 4.07 -0.99 -2.02 115.31 118.92 3gop h LEU 903 Ca 0.57 -0.27 -0.11 0.00 0.08 0.00 0.00 57.88 58.14 3gop h LEU 903 Cb 0.84 -0.28 -0.02 0.00 1.08 0.00 0.00 40.66 42.29 3gop h LEU 903 CO -0.37 1.05 -0.54 -0.33 -1.08 0.00 0.00 178.44 177.18 3gop h GLU 904 N 0.99 0.00 -0.01 1.13 5.08 -0.85 -1.56 114.58 119.36 3gop h GLU 904 Ca 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 3gop h GLU 904 Cb 0.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.72 3gop h GLU 904 CO 0.02 0.54 0.00 1.63 -1.00 0.00 0.00 179.01 180.19 3gop n LYS 905 N -3.61 1.27 -0.69 2.33 5.02 -0.61 -4.94 118.16 116.92 3gop n LYS 905 Ca -0.00 -0.40 0.00 0.00 -2.02 0.00 0.00 58.31 55.89 3gop n LYS 905 Cb 0.60 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 34.12 3gop n LYS 905 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3gop n GLY 906 N 1.07 0.60 3.79 0.72 0.00 -0.59 -5.05 105.19 105.73 3gop n GLY 906 Ca 0.22 -0.50 -0.36 0.00 0.00 0.00 0.00 46.02 45.38 3gop n GLY 906 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3gop s GLU 907 N -1.01 4.44 0.24 1.61 2.12 -0.78 -5.03 118.70 120.28 3gop s GLU 907 Ca 0.00 1.31 0.01 0.00 0.36 0.00 0.00 54.97 56.65 3gop s GLU 907 Cb 0.00 -2.62 -0.04 0.00 0.26 0.00 0.00 34.13 31.73 3gop s GLU 907 CO 0.00 0.14 0.19 1.03 -0.54 0.00 0.00 175.26 176.08 3gop s ARG 908 N -2.38 1.37 0.39 4.30 1.81 -1.26 -4.37 118.95 118.82 3gop s ARG 908 Ca 0.54 -1.72 -0.27 0.00 -1.72 0.00 0.00 55.73 52.56 3gop s ARG 908 Cb -0.17 0.29 -0.10 0.00 -0.45 0.00 0.00 34.95 34.53 3gop s ARG 908 CO 0.22 -0.47 1.40 -0.51 -0.68 0.00 0.00 175.30 175.26 3gop s LEU 909 N -3.21 4.26 0.60 2.53 1.43 -1.26 -4.94 118.68 118.09 3gop s LEU 909 Ca 0.39 2.87 -0.16 0.00 -1.03 0.00 0.00 54.13 56.20 3gop s LEU 909 Cb 0.05 -3.78 -0.03 0.00 0.03 0.00 0.00 46.19 42.46 3gop s LEU 909 CO 0.16 -0.89 1.07 -2.16 0.23 0.00 0.00 176.35 174.76 3gop s PRO 910 N -2.17 3.21 -0.08 1.29 0.04 -1.26 -4.96 135.00 131.07 3gop s PRO 910 Ca 0.55 1.27 -0.32 0.00 0.04 0.00 0.00 61.00 62.54 3gop s PRO 910 Cb -0.43 -2.01 -0.10 0.00 0.04 0.00 0.00 34.50 32.00 3gop s PRO 910 CO 0.57 -0.91 1.98 0.94 0.04 0.00 0.00 177.00 179.61 3gop n GLN 911 N -2.07 2.34 -2.10 4.56 7.27 -1.26 -4.96 117.38 121.15 3gop n GLN 911 Ca 0.09 0.83 -0.41 0.00 0.07 0.00 0.00 57.00 57.58 3gop n GLN 911 Cb 0.53 -2.84 -0.02 0.00 2.41 0.00 0.00 30.24 30.31 3gop n GLN 911 CO 0.00 0.00 0.00 -2.14 0.07 0.00 0.00 177.06 174.99 3gop s PRO 912 N 4.64 4.33 0.45 3.69 0.02 -1.26 -4.93 135.00 141.95 3gop s PRO 912 Ca 0.94 2.20 0.24 0.00 0.02 0.00 0.00 61.00 64.40 3gop s PRO 912 Cb -0.57 -3.13 1.26 0.00 0.02 0.00 0.00 34.50 32.08 3gop s PRO 912 CO 0.46 -0.31 1.81 -1.35 -0.33 0.00 0.00 177.00 177.28 3gop h PRO 913 N 4.80 0.24 -0.00 5.54 0.11 -1.93 0.58 132.00 141.34 3gop h PRO 913 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3gop h PRO 913 Cb 1.22 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3gop h PRO 913 CO 0.75 0.16 -0.07 0.44 -0.21 0.00 0.00 178.00 179.07 3gop n ILE 914 N -4.45 0.00 -3.33 4.15 -5.35 -1.26 -4.85 119.36 104.26 3gop n ILE 914 Ca 0.23 -0.01 -0.39 0.00 -0.27 0.00 0.00 62.75 62.31 3gop n ILE 914 Cb 0.94 -0.35 -0.08 0.00 -1.74 0.00 0.00 39.64 38.42 3gop n ILE 914 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3gop s THR 916 N 1.87 2.16 0.34 0.00 -4.23 -1.00 -4.81 115.64 109.97 3gop s THR 916 Ca 0.19 0.05 0.38 0.00 -1.18 0.00 0.00 61.69 61.13 3gop s THR 916 Cb -0.15 -2.13 0.40 0.00 1.34 0.00 0.00 72.50 71.95 3gop s THR 916 CO 0.09 -0.07 2.15 -0.29 -0.54 0.00 0.00 174.62 175.96 3gop h ILE 917 N -1.99 0.00 -0.20 2.99 2.10 -1.97 -2.06 117.51 116.39 3gop h ILE 917 Ca -0.48 -0.17 -0.05 0.00 1.08 0.00 0.00 64.86 65.25 3gop h ILE 917 Cb 1.28 1.10 -0.01 0.00 -1.09 0.00 0.00 36.82 38.10 3gop h ILE 917 CO 0.45 0.00 -0.08 0.44 -1.08 0.00 0.00 178.15 177.88 3gop h ASP 918 N 0.00 0.41 -0.17 2.19 5.19 -1.90 0.14 116.42 122.29 3gop h ASP 918 Ca 0.00 -0.39 -0.06 0.00 -0.62 0.00 0.00 57.03 55.96 3gop h ASP 918 Cb 0.17 -0.11 -0.00 0.00 0.18 0.00 0.00 39.33 39.57 3gop h ASP 918 CO 0.00 0.71 -0.13 0.58 -3.12 0.00 0.00 179.24 177.29 3gop h VAL 919 N 0.11 1.33 -0.05 -1.35 2.07 -1.72 -3.13 116.25 113.51 3gop h VAL 919 Ca 0.05 -1.24 -0.04 0.00 0.82 0.00 0.00 66.70 66.29 3gop h VAL 919 Cb 0.55 1.77 -0.01 0.00 -1.52 0.00 0.00 31.29 32.09 3gop h VAL 919 CO 0.03 0.37 -0.15 0.22 0.02 0.00 0.00 177.57 178.06 3gop h TYR 920 N 0.04 0.07 -0.38 1.57 3.20 -1.27 -1.23 116.97 118.97 3gop h TYR 920 Ca 0.03 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.85 3gop h TYR 920 Cb 0.64 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.87 3gop h TYR 920 CO 0.08 0.22 0.03 1.98 -1.64 0.00 0.00 178.16 178.82 3gop h MET 921 N 0.07 0.59 -0.11 1.82 4.05 -0.65 -1.83 114.93 118.87 3gop h MET 921 Ca 0.01 -0.13 -0.01 0.00 -0.28 0.00 0.00 59.70 59.29 3gop h MET 921 Cb 0.30 -0.09 -0.00 0.00 -0.80 0.00 0.00 31.60 31.01 3gop h MET 921 CO 0.02 0.60 0.01 0.82 0.23 0.00 0.00 176.91 178.59 3gop h ILE 922 N 0.57 1.23 -0.36 1.77 2.04 -1.24 -2.32 117.51 119.20 3gop h ILE 922 Ca 0.12 -0.72 0.08 0.00 1.00 0.00 0.00 64.86 65.34 3gop h ILE 922 Cb 0.32 1.50 -0.08 0.00 -0.74 0.00 0.00 36.82 37.82 3gop h ILE 922 CO 0.01 0.21 -0.17 0.24 0.00 0.00 0.00 178.15 178.43 3gop h MET 923 N -0.05 -0.11 -0.66 2.37 2.86 -1.37 -2.39 114.93 115.58 3gop h MET 923 Ca 0.03 0.01 0.06 0.00 -2.06 0.00 0.00 59.70 57.75 3gop h MET 923 Cb 0.31 0.02 -0.06 0.00 0.06 0.00 0.00 31.60 31.94 3gop h MET 923 CO 0.00 -0.07 0.36 0.28 1.06 0.00 0.00 176.91 178.54 3gop h VAL 924 N -0.11 0.94 0.00 -2.22 2.07 -1.30 -0.91 116.25 114.72 3gop h VAL 924 Ca 0.18 -0.22 -0.01 0.00 0.82 0.00 0.00 66.70 67.47 3gop h VAL 924 Cb 0.39 0.23 -0.00 0.00 -1.52 0.00 0.00 31.29 30.39 3gop h VAL 924 CO -0.44 0.12 -0.06 0.11 0.02 0.00 0.00 177.57 177.32 3gop h LYS 925 N 0.65 0.00 0.00 1.57 1.57 -0.93 0.12 116.57 119.56 3gop h LYS 925 Ca 0.30 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.08 3gop h LYS 925 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.53 3gop h LYS 925 CO -0.20 0.06 0.00 0.00 -0.57 0.00 0.00 179.45 178.74 3gop n TRP 927 N -1.71 0.67 -2.04 0.00 8.01 0.42 -3.66 117.44 119.14 3gop n TRP 927 Ca 0.04 -1.30 -0.37 0.00 -1.31 0.00 0.00 57.50 54.55 3gop n TRP 927 Cb 0.22 -0.35 0.02 0.00 -2.01 0.00 0.00 31.31 29.19 3gop n TRP 927 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.69 175.04 3gop s MET 928 N -3.08 3.41 0.22 -0.99 -1.94 -1.02 -4.92 119.30 110.99 3gop s MET 928 Ca 0.41 1.96 -0.06 0.00 -1.71 0.00 0.00 55.69 56.29 3gop s MET 928 Cb 0.36 -2.28 0.20 0.00 2.01 0.00 0.00 34.83 35.11 3gop s MET 928 CO 0.01 -0.89 1.72 0.82 -0.01 0.00 0.00 175.02 176.67 3gop h ILE 929 N 1.57 1.26 -3.53 2.53 2.04 -1.94 -3.40 117.51 116.03 3gop h ILE 929 Ca -0.50 -1.03 -0.57 0.00 1.00 0.00 0.00 64.86 63.75 3gop h ILE 929 Cb 1.27 0.73 -0.08 0.00 -0.74 0.00 0.00 36.82 38.01 3gop h ILE 929 CO 0.58 0.38 0.80 -0.62 0.00 0.00 0.00 178.15 179.29 3gop s ASP 930 N -6.56 6.73 0.47 1.72 3.68 -1.26 -4.87 116.67 116.58 3gop s ASP 930 Ca -0.11 0.65 0.22 0.00 2.13 0.00 0.00 52.55 55.44 3gop s ASP 930 Cb 0.14 -2.52 1.23 0.00 -1.45 0.00 0.00 42.92 40.33 3gop s ASP 930 CO 0.84 -1.03 1.91 0.00 0.13 0.00 0.00 175.17 177.02 3gop h ALA 931 N 8.68 2.39 0.00 3.66 0.00 -1.95 0.56 119.26 132.60 3gop h ALA 931 Ca -0.22 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3gop h ALA 931 Cb 1.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.86 3gop h ALA 931 CO 1.06 -0.61 0.00 -0.44 0.00 0.00 0.00 179.25 179.25 3gop h ASP 932 N 0.23 0.00 0.16 0.00 3.32 -1.95 -2.80 116.42 115.38 3gop h ASP 932 Ca 0.38 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.39 3gop h ASP 932 Cb 1.16 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.70 3gop h ASP 932 CO -0.08 0.00 -0.18 0.28 -1.72 0.00 0.00 179.24 177.54 3gop h SER 933 N 0.00 0.03 -4.15 6.45 0.02 -0.24 -3.45 113.55 112.20 3gop h SER 933 Ca 0.00 -0.01 -0.51 0.00 -0.84 0.00 0.00 61.79 60.43 3gop h SER 933 Cb 0.87 -0.01 0.10 0.00 0.14 0.00 0.00 62.40 63.50 3gop h SER 933 CO 0.00 0.22 0.40 -0.13 -1.14 0.00 0.00 176.83 176.18 3gop s ARG 934 N -4.65 2.93 1.01 3.45 0.52 -1.06 -4.97 118.95 116.18 3gop s ARG 934 Ca -0.04 1.53 -0.13 0.00 -0.52 0.00 0.00 55.73 56.57 3gop s ARG 934 Cb 0.16 -1.96 0.20 0.00 0.52 0.00 0.00 34.95 33.87 3gop s ARG 934 CO 0.70 -1.17 1.09 -1.25 0.02 0.00 0.00 175.30 174.69 3gop s PRO 935 N -3.76 0.33 0.19 3.54 0.04 -1.26 -5.03 135.00 129.04 3gop s PRO 935 Ca 0.70 0.47 0.05 0.00 0.04 0.00 0.00 61.00 62.26 3gop s PRO 935 Cb -0.23 -1.73 -0.04 0.00 0.04 0.00 0.00 34.50 32.54 3gop s PRO 935 CO 0.37 -2.79 0.23 0.15 0.04 0.00 0.00 177.00 175.00 3gop s LYS 936 N -4.98 3.17 0.25 4.56 -0.14 -1.26 -4.96 119.74 116.37 3gop s LYS 936 Ca 0.66 -0.81 -0.03 0.00 -1.36 0.00 0.00 55.97 54.43 3gop s LYS 936 Cb -0.18 -2.77 0.43 0.00 -1.68 0.00 0.00 37.83 33.63 3gop s LYS 936 CO 0.58 0.47 1.80 0.74 -0.76 0.00 0.00 175.35 178.17 3gop h PHE 937 N 1.92 0.83 -0.74 3.18 0.05 -1.94 0.66 116.94 120.89 3gop h PHE 937 Ca -0.49 0.03 0.11 0.00 3.82 0.00 0.00 57.97 61.44 3gop h PHE 937 Cb 1.21 -0.25 -0.05 0.00 2.00 0.00 0.00 35.95 38.87 3gop h PHE 937 CO 0.54 0.30 0.49 0.00 -0.18 0.00 0.00 178.31 179.45 3gop h ARG 938 N 0.74 0.56 -0.09 1.51 3.08 -1.95 -0.49 114.38 117.73 3gop h ARG 938 Ca 0.41 -0.03 -0.23 0.00 0.07 0.00 0.00 59.98 60.20 3gop h ARG 938 Cb 0.44 -0.13 0.01 0.00 0.08 0.00 0.00 29.97 30.37 3gop h ARG 938 CO -0.28 0.37 -0.85 0.93 -1.07 0.00 0.00 179.97 179.07 3gop h GLU 939 N 0.57 0.66 -0.10 0.04 5.08 -1.41 -3.22 114.58 116.20 3gop h GLU 939 Ca 0.35 -0.59 -0.09 0.00 -1.00 0.00 0.00 59.36 58.02 3gop h GLU 939 Cb 0.57 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 3gop h GLU 939 CO -0.12 1.20 -0.36 -0.07 -1.00 0.00 0.00 179.01 178.66 3gop h LEU 940 N 0.43 0.21 -0.27 1.33 3.38 0.06 -0.42 115.31 120.04 3gop h LEU 940 Ca -0.07 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 3gop h LEU 940 Cb 1.47 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 42.15 3gop h LEU 940 CO 0.16 0.56 0.09 0.40 0.09 0.00 0.00 178.44 179.75 3gop h ILE 941 N 0.18 1.19 -0.11 1.22 2.04 -1.15 -1.74 117.51 119.14 3gop h ILE 941 Ca 0.02 -0.59 -0.02 0.00 1.00 0.00 0.00 64.86 65.27 3gop h ILE 941 Cb 0.73 1.08 -0.00 0.00 -0.74 0.00 0.00 36.82 37.88 3gop h ILE 941 CO 0.06 0.20 -0.01 0.40 0.00 0.00 0.00 178.15 178.79 3gop h ILE 942 N 0.27 1.27 -0.37 -0.67 2.04 -1.41 -0.80 117.51 117.85 3gop h ILE 942 Ca 0.09 -0.89 0.05 0.00 1.00 0.00 0.00 64.86 65.10 3gop h ILE 942 Cb 0.22 1.64 -0.04 0.00 -0.74 0.00 0.00 36.82 37.90 3gop h ILE 942 CO -0.00 0.26 0.12 -0.33 0.00 0.00 0.00 178.15 178.19 3gop h GLU 943 N -0.09 0.26 0.00 2.37 4.39 -1.02 -2.11 114.58 118.39 3gop h GLU 943 Ca 0.03 -0.02 -0.09 0.00 0.34 0.00 0.00 59.36 59.62 3gop h GLU 943 Cb 0.40 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.98 3gop h GLU 943 CO 0.01 0.17 -0.43 0.74 -1.16 0.00 0.00 179.01 178.34 3gop h PHE 944 N 0.27 0.00 -0.57 4.33 0.04 -1.26 -2.87 116.94 116.88 3gop h PHE 944 Ca 0.17 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.93 3gop h PHE 944 Cb 0.16 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.28 3gop h PHE 944 CO -0.15 0.43 0.31 0.77 -0.60 0.00 0.00 178.31 179.07 3gop h SER 945 N 0.00 0.72 -0.63 2.17 0.02 -0.80 0.20 113.55 115.22 3gop h SER 945 Ca -0.00 -0.09 -0.07 0.00 -0.84 0.00 0.00 61.79 60.78 3gop h SER 945 Cb 1.28 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 63.61 3gop h SER 945 CO 0.06 0.60 0.11 0.50 -1.14 0.00 0.00 176.83 176.96 3gop h LYS 946 N 0.77 1.05 -0.60 3.45 3.64 -1.18 -1.60 116.57 122.10 3gop h LYS 946 Ca 0.20 -0.28 -0.06 0.00 -1.27 0.00 0.00 60.65 59.25 3gop h LYS 946 Cb 0.05 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.72 3gop h LYS 946 CO -0.03 0.97 0.15 0.52 -2.27 0.00 0.00 179.45 178.79 3gop h MET 947 N 0.96 0.95 0.00 1.90 2.86 -1.31 -2.73 114.93 117.56 3gop h MET 947 Ca 0.19 -0.23 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 3gop h MET 947 Cb 0.43 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 31.96 3gop h MET 947 CO 0.01 0.87 0.00 0.00 1.06 0.00 0.00 176.91 178.85 3gop h ALA 948 N 1.04 1.00 0.00 6.32 0.00 0.02 -1.14 119.26 126.50 3gop h ALA 948 Ca 0.19 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 3gop h ALA 948 Cb 0.34 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3gop h ALA 948 CO 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 179.25 178.88 3gop h ARG 949 N 0.00 0.00 -1.90 0.00 3.08 -0.99 -3.35 114.38 111.22 3gop h ARG 949 Ca 0.00 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.53 3gop h ARG 949 Cb 0.29 0.00 -0.38 0.00 0.08 0.00 0.00 29.97 29.96 3gop h ARG 949 CO 0.00 0.37 -1.11 -3.47 -1.07 0.00 0.00 179.97 174.69 3gop n ASP 950 N -3.38 0.23 -0.31 7.04 2.03 -0.53 -5.05 116.55 116.58 3gop n ASP 950 Ca 0.01 -2.83 -0.04 0.00 0.52 0.00 0.00 54.79 52.44 3gop n ASP 950 Cb 0.56 -0.51 0.08 0.00 -0.72 0.00 0.00 41.12 40.54 3gop n ASP 950 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3gop h PRO 951 N 3.67 1.18 0.00 -0.67 0.13 -1.43 -2.47 132.00 132.40 3gop h PRO 951 Ca 0.07 -0.14 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 3gop h PRO 951 Cb 0.92 -0.23 0.00 0.00 0.13 0.00 0.00 31.00 31.82 3gop h PRO 951 CO 0.46 0.87 0.00 1.96 -0.23 0.00 0.00 178.00 181.06 3gop h GLN 952 N 1.18 0.00 0.00 0.86 4.20 -1.87 -0.54 115.11 118.94 3gop h GLN 952 Ca 0.30 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.98 3gop h GLN 952 Cb 0.03 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.80 3gop h GLN 952 CO -0.05 0.00 -0.20 -0.09 -0.67 0.00 0.00 178.83 177.82 3gop h ARG 953 N 0.00 0.00 0.00 1.46 2.43 -1.80 -3.38 114.38 113.09 3gop h ARG 953 Ca 0.00 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.14 3gop h ARG 953 Cb 0.18 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.72 3gop h ARG 953 CO 0.00 0.11 -1.30 0.66 -1.51 0.00 0.00 179.97 177.93 3gop n TYR 954 N -3.09 0.00 -4.59 2.20 4.01 -0.69 -4.92 117.16 110.08 3gop n TYR 954 Ca 0.03 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.47 3gop n TYR 954 Cb 0.58 -0.18 -0.17 0.00 -0.31 0.00 0.00 39.34 39.27 3gop n TYR 954 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3gop s LEU 955 N -3.73 1.90 -0.40 7.72 1.43 -0.30 -2.38 118.68 122.92 3gop s LEU 955 Ca -0.02 -0.50 -0.14 0.00 -1.03 0.00 0.00 54.13 52.43 3gop s LEU 955 Cb 0.03 -1.25 0.02 0.00 0.03 0.00 0.00 46.19 45.02 3gop s LEU 955 CO 0.24 0.05 0.29 -0.69 0.23 0.00 0.00 176.35 176.46 3gop s VAL 956 N 0.87 5.15 -0.10 -1.59 1.01 -0.23 -4.41 120.40 121.10 3gop s VAL 956 Ca -0.08 -0.69 0.02 0.00 0.00 0.00 0.00 61.98 61.23 3gop s VAL 956 Cb -0.15 -3.87 0.01 0.00 0.00 0.00 0.00 36.38 32.37 3gop s VAL 956 CO -0.01 -0.30 -0.17 -0.63 0.00 0.00 0.00 175.10 173.99 3gop s ILE 957 N 1.66 1.60 0.19 2.22 1.01 -1.26 -4.44 121.20 122.17 3gop s ILE 957 Ca 0.05 -0.72 -0.30 0.00 0.00 0.00 0.00 60.65 59.67 3gop s ILE 957 Cb -0.19 -1.43 -0.09 0.00 0.01 0.00 0.00 42.46 40.76 3gop s ILE 957 CO 0.09 0.46 1.36 -1.10 0.00 0.00 0.00 174.94 175.75 3gop s GLN 958 N 0.80 4.34 0.00 2.79 1.11 -1.26 -1.00 119.66 126.45 3gop s GLN 958 Ca -0.10 2.11 0.00 0.00 0.01 0.00 0.00 55.36 57.38 3gop s GLN 958 Cb -0.16 -3.19 0.00 0.00 -1.01 0.00 0.00 33.01 28.65 3gop s GLN 958 CO 0.01 -0.34 0.00 0.41 0.01 0.00 0.00 175.29 175.38 3gop n GLY 959 N 2.65 0.98 3.68 3.09 0.00 -1.26 -5.00 105.19 109.33 3gop n GLY 959 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 3gop n GLY 959 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3gop s ASP 960 N -2.96 6.73 0.00 1.61 3.68 -0.17 -5.06 116.67 120.50 3gop s ASP 960 Ca 0.00 2.24 0.00 0.00 2.13 0.00 0.00 52.55 56.92 3gop s ASP 960 Cb 0.00 -2.55 0.00 0.00 -1.45 0.00 0.00 42.92 38.92 3gop s ASP 960 CO 0.00 -0.82 0.00 1.21 0.13 0.00 0.00 175.17 175.69 3gop n GLU 961 N 5.93 0.00 -0.15 4.34 4.07 -1.26 -4.98 120.64 128.59 3gop n GLU 961 Ca 0.15 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.25 3gop n GLU 961 Cb 0.42 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.80 3gop n GLU 961 CO 0.00 0.00 0.00 -0.40 -0.06 0.00 0.00 177.13 176.67 3gop n ASP 970 N 0.00 -0.41 -3.58 4.31 5.75 -1.26 -5.19 116.55 116.17 3gop n ASP 970 Ca 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 54.79 54.65 3gop n ASP 970 Cb 0.00 -0.10 -0.05 0.00 -1.03 0.00 0.00 41.12 39.93 3gop n ASP 970 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 3gop s SER 971 N -0.56 0.57 0.24 -1.12 1.04 -1.26 -5.02 113.70 107.59 3gop s SER 971 Ca 0.00 -1.33 -0.07 0.00 0.48 0.00 0.00 55.95 55.03 3gop s SER 971 Cb 0.00 0.60 0.24 0.00 0.10 0.00 0.00 66.02 66.96 3gop s SER 971 CO 0.00 -1.19 1.92 0.78 0.98 0.00 0.00 173.24 175.73 3gop h ASN 972 N 2.22 1.08 -0.39 7.02 2.35 -1.96 -2.18 115.58 123.73 3gop h ASN 972 Ca -0.29 -0.03 -0.10 0.00 -0.55 0.00 0.00 56.30 55.34 3gop h ASN 972 Cb 1.24 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 39.33 3gop h ASN 972 CO 0.40 0.78 -0.14 0.15 -1.65 0.00 0.00 177.43 176.97 3gop h PHE 973 N 1.28 0.88 -0.22 1.19 3.04 -1.89 -1.62 116.94 119.60 3gop h PHE 973 Ca 0.35 -0.20 0.05 0.00 3.98 0.00 0.00 57.97 62.14 3gop h PHE 973 Cb -0.14 -0.21 -0.01 0.00 2.56 0.00 0.00 35.95 38.15 3gop h PHE 973 CO -0.01 0.93 0.16 -0.92 -2.02 0.00 0.00 178.31 176.45 3gop h TYR 974 N 0.58 0.09 0.00 0.41 -0.00 -1.47 -2.53 116.97 114.05 3gop h TYR 974 Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.82 3gop h TYR 974 Cb 0.67 -0.03 0.00 0.00 -0.00 0.00 0.00 36.73 37.37 3gop h TYR 974 CO 0.05 0.05 -1.24 0.54 -0.00 0.00 0.00 178.16 177.57 3gop n ARG 975 N -4.49 0.60 0.00 1.82 1.74 -0.84 -4.39 116.66 111.10 3gop n ARG 975 Ca 0.02 0.04 0.00 0.00 -0.77 0.00 0.00 57.85 57.14 3gop n ARG 975 Cb 0.24 -1.74 0.00 0.00 -1.02 0.00 0.00 32.46 29.93 3gop n ARG 975 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3gop n ALA 976 N -2.18 -0.26 -2.69 7.54 0.00 -0.63 -4.37 120.51 117.92 3gop n ALA 976 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.03 3gop n ALA 976 Cb 0.55 0.16 -0.05 0.00 0.00 0.00 0.00 19.45 20.11 3gop n ALA 976 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 3gop s LEU 977 N -4.01 4.23 0.00 0.00 0.05 -1.21 -5.12 118.68 112.62 3gop s LEU 977 Ca 0.00 1.07 0.00 0.00 0.05 0.00 0.00 54.13 55.25 3gop s LEU 977 Cb 0.00 -3.05 0.00 0.00 -2.05 0.00 0.00 46.19 41.09 3gop s LEU 977 CO 0.00 -0.23 0.00 0.80 -0.55 0.00 0.00 176.35 176.37 3gop n MET 978 N 4.54 0.00 -1.58 1.48 0.00 -1.26 -4.73 117.12 115.56 3gop n MET 978 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 57.70 57.33 3gop n MET 978 Cb 0.50 0.00 0.07 0.00 0.00 0.00 0.00 33.22 33.79 3gop n MET 978 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50 3gop n ASP 985 N 0.00 0.97 -3.63 6.12 4.64 -1.26 -4.83 116.55 118.56 3gop n ASP 985 Ca 0.00 0.77 -0.27 0.00 -1.38 0.00 0.00 54.79 53.91 3gop n ASP 985 Cb 0.00 -1.43 -0.11 0.00 -1.04 0.00 0.00 41.12 38.54 3gop n ASP 985 CO 0.00 0.00 0.00 0.55 -0.82 0.00 0.00 177.20 176.93 3gop n VAL 986 N -2.00 0.28 -3.68 5.18 3.14 -1.26 -3.02 118.33 116.97 3gop n VAL 986 Ca 0.14 -4.19 -0.37 0.00 -2.96 0.00 0.00 64.34 56.96 3gop n VAL 986 Cb 0.48 -1.93 -0.10 0.00 -1.06 0.00 0.00 33.84 31.23 3gop n VAL 986 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 3gop s VAL 987 N -0.80 5.22 0.51 1.55 1.01 -0.28 -4.91 120.40 122.70 3gop s VAL 987 Ca 0.29 0.13 -0.22 0.00 0.00 0.00 0.00 61.98 62.19 3gop s VAL 987 Cb 0.01 -3.44 -0.07 0.00 0.00 0.00 0.00 36.38 32.87 3gop s VAL 987 CO -0.18 0.33 1.12 -0.67 0.00 0.00 0.00 175.10 175.71 3gop n ASP 988 N 4.45 1.67 -0.07 3.32 2.03 -1.26 -4.16 116.55 122.52 3gop n ASP 988 Ca -0.15 0.96 -0.10 0.00 0.52 0.00 0.00 54.79 56.02 3gop n ASP 988 Cb 0.52 -1.44 -0.03 0.00 -0.72 0.00 0.00 41.12 39.45 3gop n ASP 988 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3gop h ALA 989 N 1.29 0.33 -0.36 -1.67 0.00 -1.87 -1.70 119.26 115.27 3gop h ALA 989 Ca -0.48 -0.08 0.07 0.00 0.00 0.00 0.00 54.91 54.43 3gop h ALA 989 Cb 1.33 -0.10 -0.09 0.00 0.00 0.00 0.00 17.79 18.93 3gop h ALA 989 CO 0.56 -0.13 -0.32 -0.44 0.00 0.00 0.00 179.25 178.91 3gop h ASP 990 N 0.29 -1.07 0.21 0.00 3.32 -1.93 0.37 116.42 117.61 3gop h ASP 990 Ca 0.09 0.18 -0.06 0.00 0.02 0.00 0.00 57.03 57.26 3gop h ASP 990 Cb 0.09 0.49 -0.01 0.00 0.22 0.00 0.00 39.33 40.13 3gop h ASP 990 CO -0.01 -0.32 -0.26 -0.08 -1.72 0.00 0.00 179.24 176.84 3gop h GLU 991 N -0.27 0.09 0.18 3.56 4.22 -1.84 -3.04 114.58 117.47 3gop h GLU 991 Ca 0.16 -0.03 -0.01 0.00 0.08 0.00 0.00 59.36 59.56 3gop h GLU 991 Cb 0.54 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.78 3gop h GLU 991 CO -0.51 0.35 -0.08 -0.92 -2.18 0.00 0.00 179.01 175.67 3gop h TYR 992 N 0.08 -0.22 -2.54 0.92 -0.00 -0.33 -3.46 116.97 111.43 3gop h TYR 992 Ca 0.01 -0.01 -0.54 0.00 -0.00 0.00 0.00 58.73 58.20 3gop h TYR 992 Cb 0.52 0.07 -0.03 0.00 -0.00 0.00 0.00 36.73 37.29 3gop h TYR 992 CO 0.00 0.14 -0.47 -0.51 -0.00 0.00 0.00 178.16 177.32 3gop s LEU 993 N -9.42 4.27 0.00 2.82 1.43 0.02 -5.11 118.68 112.70 3gop s LEU 993 Ca -0.14 0.12 0.00 0.00 -1.03 0.00 0.00 54.13 53.08 3gop s LEU 993 Cb 0.02 -2.84 0.00 0.00 0.03 0.00 0.00 46.19 43.40 3gop s LEU 993 CO 0.58 0.04 0.00 2.30 0.23 0.00 0.00 176.35 179.51