#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hx6 n ALA 646 N 0.00 6.24 -2.91 3.55 0.00 -1.26 -4.77 120.51 121.36 3hx6 n ALA 646 Ca 0.00 -4.39 -0.34 0.00 0.00 0.00 0.00 53.44 48.71 3hx6 n ALA 646 Cb 0.00 -2.51 -0.11 0.00 0.00 0.00 0.00 19.45 16.83 3hx6 n ALA 646 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 3hx6 s THR 647 N -2.50 4.24 -0.49 0.00 -1.32 -1.26 -0.59 115.64 113.72 3hx6 s THR 647 Ca 0.44 -0.23 -0.04 0.00 -1.21 0.00 0.00 61.69 60.65 3hx6 s THR 647 Cb 0.17 -2.88 0.13 0.00 -1.51 0.00 0.00 72.50 68.40 3hx6 s THR 647 CO -0.08 0.48 0.30 -0.69 -2.21 0.00 0.00 174.62 172.42 3hx6 s VAL 648 N 0.38 3.58 0.00 5.08 1.01 0.94 -4.98 120.40 126.42 3hx6 s VAL 648 Ca -0.01 -2.30 0.00 0.00 0.00 0.00 0.00 61.98 59.67 3hx6 s VAL 648 Cb -0.13 -3.40 0.00 0.00 0.00 0.00 0.00 36.38 32.85 3hx6 s VAL 648 CO 0.02 -0.76 0.00 0.61 0.00 0.00 0.00 175.10 174.96 3hx6 n GLY 649 N 4.30 0.61 3.97 4.51 0.00 -1.26 -2.31 105.19 115.01 3hx6 n GLY 649 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 3hx6 n GLY 649 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hx6 s LYS 650 N 1.09 1.41 0.44 1.61 1.02 -1.26 -4.72 119.74 119.32 3hx6 s LYS 650 Ca 0.00 -0.87 -0.24 0.00 0.02 0.00 0.00 55.97 54.88 3hx6 s LYS 650 Cb 0.00 -2.19 -0.10 0.00 -0.52 0.00 0.00 37.83 35.03 3hx6 s LYS 650 CO 0.00 -1.71 1.09 0.00 -0.92 0.00 0.00 175.35 173.81 3hx6 n ALA 651 N -3.10 0.54 0.15 5.17 0.00 -1.26 -4.89 120.51 117.12 3hx6 n ALA 651 Ca 0.15 0.22 0.02 0.00 0.00 0.00 0.00 53.44 53.83 3hx6 n ALA 651 Cb 0.60 -2.14 0.19 0.00 0.00 0.00 0.00 19.45 18.10 3hx6 n ALA 651 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 3hx6 h GLN 652 N 1.62 0.00 -6.17 0.00 4.15 -1.97 -3.46 115.11 109.28 3hx6 h GLN 652 Ca -0.46 0.00 -0.55 0.00 0.77 0.00 0.00 58.65 58.42 3hx6 h GLN 652 Cb 1.33 0.00 -0.08 0.00 0.21 0.00 0.00 27.48 28.93 3hx6 h GLN 652 CO 0.57 0.54 -0.59 0.71 -1.93 0.00 0.00 178.83 178.13 3hx6 s TYR 653 N -3.42 2.76 0.11 3.99 2.02 -1.26 -5.06 117.35 116.49 3hx6 s TYR 653 Ca 0.00 -0.26 -0.26 0.00 -0.37 0.00 0.00 57.07 56.18 3hx6 s TYR 653 Cb 0.11 -1.37 -0.07 0.00 -0.40 0.00 0.00 41.96 40.23 3hx6 s TYR 653 CO 0.73 0.51 0.81 -0.51 -1.57 0.00 0.00 175.55 175.52 3hx6 s LEU 654 N -3.75 4.53 0.24 -1.29 1.43 -1.26 -4.93 118.68 113.63 3hx6 s LEU 654 Ca 0.34 1.60 -0.05 0.00 -1.03 0.00 0.00 54.13 54.99 3hx6 s LEU 654 Cb -0.05 -3.33 0.41 0.00 0.03 0.00 0.00 46.19 43.25 3hx6 s LEU 654 CO 0.21 0.09 1.75 0.74 0.23 0.00 0.00 176.35 179.37 3hx6 h THR 655 N 3.74 0.72 0.00 5.49 2.02 -1.99 -1.19 112.91 121.70 3hx6 h THR 655 Ca -0.45 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 66.56 3hx6 h THR 655 Cb 1.21 0.19 0.00 0.00 -1.74 0.00 0.00 68.15 67.80 3hx6 h THR 655 CO 0.69 0.09 0.00 0.10 0.37 0.00 0.00 175.52 176.77 3hx6 h TYR 656 N 0.49 0.00 0.01 3.16 -0.00 -2.00 0.65 116.97 119.28 3hx6 h TYR 656 Ca 0.39 0.00 -0.34 0.00 -0.00 0.00 0.00 58.73 58.78 3hx6 h TYR 656 Cb 0.53 0.00 -0.06 0.00 -0.00 0.00 0.00 36.73 37.21 3hx6 h TYR 656 CO -0.15 0.00 -2.05 1.28 -0.00 0.00 0.00 178.16 177.25 3hx6 n LEU 657 N -2.82 0.90 0.05 0.10 4.77 -0.52 -4.46 117.00 115.02 3hx6 n LEU 657 Ca -0.01 0.20 -0.23 0.00 -0.03 0.00 0.00 56.01 55.94 3hx6 n LEU 657 Cb 0.14 0.08 -0.15 0.00 -2.33 0.00 0.00 43.42 41.16 3hx6 n LEU 657 CO 0.20 0.52 -0.62 0.00 -1.33 0.00 0.00 177.39 176.16 3hx6 h ALA 658 N 0.83 0.24 -0.60 -1.18 0.00 -0.86 -3.40 119.26 114.28 3hx6 h ALA 658 Ca -0.42 -1.22 0.10 0.00 0.00 0.00 0.00 54.91 53.38 3hx6 h ALA 658 Cb 2.09 0.54 -0.08 0.00 0.00 0.00 0.00 17.79 20.34 3hx6 h ALA 658 CO 0.05 1.10 0.18 0.37 0.00 0.00 0.00 179.25 180.95 3hx6 h GLN 659 N 0.08 0.32 0.00 0.00 5.75 -1.12 -1.30 115.11 118.84 3hx6 h GLN 659 Ca -0.37 -0.02 -0.00 0.00 -0.15 0.00 0.00 58.65 58.11 3hx6 h GLN 659 Cb 2.07 -0.07 -0.00 0.00 1.07 0.00 0.00 27.48 30.55 3hx6 h GLN 659 CO 0.15 0.21 -0.01 -1.35 -2.65 0.00 0.00 178.83 175.18 3hx6 h PRO 660 N 0.33 0.00 -0.18 -2.39 0.11 -1.78 -1.99 132.00 126.10 3hx6 h PRO 660 Ca 0.31 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 66.27 3hx6 h PRO 660 Cb 0.43 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.54 3hx6 h PRO 660 CO -0.36 0.01 -0.54 0.82 -0.21 0.00 0.00 178.00 177.72 3hx6 h ILE 661 N 0.00 1.32 -2.74 4.15 2.04 -1.44 -3.38 117.51 117.47 3hx6 h ILE 661 Ca -0.00 -1.79 -0.61 0.00 1.00 0.00 0.00 64.86 63.47 3hx6 h ILE 661 Cb 0.04 1.77 -0.40 0.00 -0.74 0.00 0.00 36.82 37.49 3hx6 h ILE 661 CO 0.00 0.55 -0.78 -1.61 0.00 0.00 0.00 178.15 176.32 3hx6 s GLU 662 N -4.00 1.61 0.57 2.37 0.41 -0.75 -4.96 118.70 113.95 3hx6 s GLU 662 Ca -0.07 -2.62 0.27 0.00 -0.41 0.00 0.00 54.97 52.14 3hx6 s GLU 662 Cb 0.11 -2.37 1.57 0.00 -1.78 0.00 0.00 34.13 31.66 3hx6 s GLU 662 CO 0.83 -1.32 2.08 -1.00 -0.49 0.00 0.00 175.26 175.37 3hx6 h PRO 663 N 5.66 0.00 0.00 0.39 0.13 -1.74 0.13 132.00 136.58 3hx6 h PRO 663 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 3hx6 h PRO 663 Cb 0.85 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.98 3hx6 h PRO 663 CO 0.53 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.17 3hx6 n SER 664 N -3.98 0.00 -4.65 1.44 3.41 -1.26 -4.82 113.62 103.76 3hx6 n SER 664 Ca 0.03 -1.34 -0.31 0.00 -0.26 0.00 0.00 58.87 56.99 3hx6 n SER 664 Cb 0.36 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.22 3hx6 n SER 664 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3hx6 s GLY 665 N -1.61 2.85 -0.39 5.00 0.00 0.45 -4.94 107.32 108.68 3hx6 s GLY 665 Ca 0.26 -0.91 0.01 0.00 0.00 0.00 0.00 44.72 44.08 3hx6 s GLY 665 CO 0.20 -2.12 0.19 0.21 0.00 0.00 0.00 173.10 171.58 3hx6 s ASN 666 N -3.80 3.67 0.38 1.64 3.84 -1.26 -4.97 114.94 114.45 3hx6 s ASN 666 Ca 0.15 -2.26 0.17 0.00 0.21 0.00 0.00 52.86 51.13 3hx6 s ASN 666 Cb 0.04 -0.89 0.75 0.00 -0.55 0.00 0.00 41.25 40.59 3hx6 s ASN 666 CO 0.08 -0.32 1.79 0.22 -2.79 0.00 0.00 177.10 176.07 3hx6 h TYR 667 N 7.19 0.00 -0.11 0.43 3.20 -1.93 -3.00 116.97 122.75 3hx6 h TYR 667 Ca -0.04 0.00 0.02 0.00 3.14 0.00 0.00 58.73 61.85 3hx6 h TYR 667 Cb 0.96 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 39.21 3hx6 h TYR 667 CO 0.44 0.37 -0.02 1.03 -1.64 0.00 0.00 178.16 178.34 3hx6 h SER 668 N 0.00 -0.08 -0.37 -2.11 0.87 -1.93 0.36 113.55 110.28 3hx6 h SER 668 Ca -0.00 0.03 -0.08 0.00 -1.23 0.00 0.00 61.79 60.50 3hx6 h SER 668 Cb 0.79 0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 62.79 3hx6 h SER 668 CO 0.05 -0.03 -0.06 0.71 -0.53 0.00 0.00 176.83 176.98 3hx6 h THR 669 N 0.01 1.25 -0.08 2.23 1.35 -1.98 -1.38 112.91 114.31 3hx6 h THR 669 Ca 0.05 -1.09 -0.00 0.00 -0.55 0.00 0.00 66.41 64.82 3hx6 h THR 669 Cb 0.08 0.96 -0.00 0.00 -1.73 0.00 0.00 68.15 67.45 3hx6 h THR 669 CO -0.11 0.38 0.04 0.15 -0.25 0.00 0.00 175.52 175.73 3hx6 h PHE 670 N 0.73 0.12 -0.43 4.73 3.57 -1.26 -1.78 116.94 122.61 3hx6 h PHE 670 Ca 0.13 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.63 3hx6 h PHE 670 Cb 0.52 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.21 3hx6 h PHE 670 CO 0.03 0.18 0.28 0.00 -2.23 0.00 0.00 178.31 176.56 3hx6 h ALA 671 N 0.93 0.55 -0.32 2.41 0.00 -0.11 -2.43 119.26 120.28 3hx6 h ALA 671 Ca 0.03 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.93 3hx6 h ALA 671 Cb 0.10 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 3hx6 h ALA 671 CO -0.00 0.02 0.10 0.93 0.00 0.00 0.00 179.25 180.30 3hx6 h GLU 672 N 0.58 0.23 -0.04 0.00 4.39 -1.14 -1.37 114.58 117.23 3hx6 h GLU 672 Ca 0.16 -0.01 0.01 0.00 0.34 0.00 0.00 59.36 59.86 3hx6 h GLU 672 Cb -0.04 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 28.56 3hx6 h GLU 672 CO -0.03 0.15 0.05 0.00 -1.16 0.00 0.00 179.01 178.02 3hx6 h ALA 673 N 1.21 1.61 0.00 3.43 0.00 -1.01 -1.49 119.26 123.01 3hx6 h ALA 673 Ca 0.15 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3hx6 h ALA 673 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3hx6 h ALA 673 CO -0.16 -0.07 -0.66 1.04 0.00 0.00 0.00 179.25 179.39 3hx6 n GLN 674 N -3.86 0.14 0.24 0.00 1.13 -0.58 -3.83 117.38 110.61 3hx6 n GLN 674 Ca -0.02 0.02 0.09 0.00 -1.94 0.00 0.00 57.00 55.16 3hx6 n GLN 674 Cb 0.14 -1.57 0.66 0.00 0.11 0.00 0.00 30.24 29.58 3hx6 n GLN 674 CO 0.00 0.00 0.00 0.87 -1.44 0.00 0.00 177.06 176.49 3hx6 h LYS 675 N 0.00 0.00 -0.27 -1.09 1.57 -0.61 -0.88 116.57 115.29 3hx6 h LYS 675 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3hx6 h LYS 675 Cb 0.61 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.92 3hx6 h LYS 675 CO 0.00 0.00 0.00 -2.37 -0.57 0.00 0.00 179.45 176.51 3hx6 n THR 676 N -4.48 0.42 -2.13 -0.16 5.66 -1.25 -4.98 114.28 107.36 3hx6 n THR 676 Ca -0.02 -0.71 -0.41 0.00 -3.05 0.00 0.00 64.05 59.86 3hx6 n THR 676 Cb 0.13 1.03 -0.03 0.00 -1.55 0.00 0.00 70.33 69.92 3hx6 n THR 676 CO 0.00 0.00 0.00 -0.60 -3.05 0.00 0.00 175.07 171.42 3hx6 s ARG 677 N -1.37 4.35 -0.26 1.09 3.52 -0.33 -4.93 118.95 121.01 3hx6 s ARG 677 Ca 0.31 2.17 -0.29 0.00 -0.13 0.00 0.00 55.73 57.79 3hx6 s ARG 677 Cb 0.18 -3.14 -0.03 0.00 -1.56 0.00 0.00 34.95 30.41 3hx6 s ARG 677 CO 0.26 -0.28 1.71 0.00 -0.81 0.00 0.00 175.30 176.17 3hx6 s ALA 678 N -0.22 3.12 0.24 6.12 0.00 -1.26 -4.87 121.76 124.88 3hx6 s ALA 678 Ca 0.56 0.42 -0.31 0.00 0.00 0.00 0.00 51.96 52.62 3hx6 s ALA 678 Cb -0.39 -3.92 -0.13 0.00 0.00 0.00 0.00 23.12 18.68 3hx6 s ALA 678 CO 0.43 -2.22 1.40 -2.30 0.00 0.00 0.00 175.76 173.08 3hx6 n PRO 679 N 7.98 2.03 -4.07 0.00 -0.02 -1.26 -4.86 135.00 134.79 3hx6 n PRO 679 Ca 0.21 0.72 -0.13 0.00 -2.02 0.00 0.00 63.50 62.27 3hx6 n PRO 679 Cb 0.46 -2.38 -0.13 0.00 -0.02 0.00 0.00 33.50 31.43 3hx6 n PRO 679 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3hx6 s ARG 680 N -0.46 0.42 -0.11 -0.52 1.81 -0.98 -3.56 118.95 115.56 3hx6 s ARG 680 Ca 0.68 -0.47 0.03 0.00 -1.72 0.00 0.00 55.73 54.24 3hx6 s ARG 680 Cb -0.65 -0.26 -0.00 0.00 -0.45 0.00 0.00 34.95 33.58 3hx6 s ARG 680 CO 0.50 0.06 -0.21 0.08 -0.68 0.00 0.00 175.30 175.05 3hx6 s VAL 681 N -0.83 2.34 -0.20 3.52 1.01 0.62 -0.04 120.40 126.81 3hx6 s VAL 681 Ca -0.06 -0.92 -0.03 0.00 0.00 0.00 0.00 61.98 60.97 3hx6 s VAL 681 Cb -0.06 -1.92 -0.01 0.00 0.00 0.00 0.00 36.38 34.39 3hx6 s VAL 681 CO 0.00 0.55 -0.05 -0.31 0.00 0.00 0.00 175.10 175.29 3hx6 s TYR 682 N 0.35 2.95 -0.16 5.22 1.51 0.24 0.11 117.35 127.56 3hx6 s TYR 682 Ca -0.17 -0.82 -0.02 0.00 -1.01 0.00 0.00 57.07 55.05 3hx6 s TYR 682 Cb -0.17 -2.06 -0.02 0.00 -0.11 0.00 0.00 41.96 39.60 3hx6 s TYR 682 CO 0.08 -0.45 -0.07 0.08 -1.11 0.00 0.00 175.55 174.08 3hx6 s VAL 683 N 1.22 3.48 -0.18 0.71 1.01 -0.22 -4.44 120.40 121.99 3hx6 s VAL 683 Ca 0.03 -0.50 -0.29 0.00 0.00 0.00 0.00 61.98 61.22 3hx6 s VAL 683 Cb -0.14 -2.52 -0.02 0.00 0.00 0.00 0.00 36.38 33.70 3hx6 s VAL 683 CO -0.01 0.49 1.37 -0.83 0.00 0.00 0.00 175.10 176.11 3hx6 s GLY 684 N 0.61 1.54 0.00 4.51 0.00 -1.26 -2.20 107.32 110.52 3hx6 s GLY 684 Ca -0.04 0.47 0.00 0.00 0.00 0.00 0.00 44.72 45.15 3hx6 s GLY 684 CO 0.03 2.65 0.00 0.00 0.00 0.00 0.00 173.10 175.77 3hx6 n ALA 685 N 7.04 0.00 -1.52 3.20 0.00 0.15 -4.00 120.51 125.37 3hx6 n ALA 685 Ca 0.15 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.32 3hx6 n ALA 685 Cb 0.45 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.76 3hx6 n ALA 685 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3hx6 n ASN 686 N -0.96 0.38 -1.01 0.00 2.85 -1.26 -4.15 115.26 111.11 3hx6 n ASN 686 Ca 0.00 -0.59 0.00 0.00 -0.11 0.00 0.00 54.58 53.88 3hx6 n ASN 686 Cb 0.00 -1.08 0.00 0.00 1.24 0.00 0.00 39.78 39.94 3hx6 n ASN 686 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 3hx6 n ASP 687 N 11.66 -2.51 0.00 1.20 8.00 -1.23 -3.15 116.55 130.52 3hx6 n ASP 687 Ca 0.57 0.31 0.00 0.00 0.71 0.00 0.00 54.79 56.39 3hx6 n ASP 687 Cb 0.25 -0.50 0.00 0.00 -0.02 0.00 0.00 41.12 40.85 3hx6 n ASP 687 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hx6 n GLY 688 N 1.49 2.64 3.61 0.44 0.00 -0.95 -4.38 105.19 108.05 3hx6 n GLY 688 Ca 0.00 -0.67 -0.47 0.00 0.00 0.00 0.00 46.02 44.88 3hx6 n GLY 688 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3hx6 n MET 689 N 0.00 1.51 -3.96 1.61 2.81 -1.19 -4.61 117.12 113.29 3hx6 n MET 689 Ca 0.00 0.54 -0.24 0.00 -1.81 0.00 0.00 57.70 56.19 3hx6 n MET 689 Cb 0.00 -2.09 -0.17 0.00 -0.71 0.00 0.00 33.22 30.25 3hx6 n MET 689 CO 0.00 0.00 0.00 -1.17 1.51 0.00 0.00 175.97 176.31 3hx6 s LEU 690 N 0.43 1.04 -0.06 4.03 1.98 -0.74 0.30 118.68 125.66 3hx6 s LEU 690 Ca 0.71 -0.19 0.05 0.00 -2.89 0.00 0.00 54.13 51.80 3hx6 s LEU 690 Cb -0.77 -0.63 -0.01 0.00 0.66 0.00 0.00 46.19 45.44 3hx6 s LEU 690 CO 0.51 -0.12 -0.22 -1.00 -1.89 0.00 0.00 176.35 173.63 3hx6 s HIS 691 N 1.57 2.51 -0.14 5.38 3.76 -0.93 0.89 115.29 128.33 3hx6 s HIS 691 Ca 0.00 -0.59 -0.03 0.00 -0.15 0.00 0.00 55.06 54.30 3hx6 s HIS 691 Cb -0.13 -1.62 -0.03 0.00 1.11 0.00 0.00 32.58 31.91 3hx6 s HIS 691 CO -0.05 -0.13 -0.05 0.20 -0.85 0.00 0.00 174.74 173.87 3hx6 s GLY 692 N -0.26 1.71 0.28 -2.22 0.00 0.12 -1.06 107.32 105.89 3hx6 s GLY 692 Ca -0.00 -0.83 0.11 0.00 0.00 0.00 0.00 44.72 43.99 3hx6 s GLY 692 CO 0.03 -0.17 -0.17 -1.36 0.00 0.00 0.00 173.10 171.43 3hx6 s PHE 693 N 0.17 2.20 0.66 1.90 0.08 0.12 -1.34 117.98 121.77 3hx6 s PHE 693 Ca -0.02 -0.41 -0.02 0.00 0.12 0.00 0.00 56.93 56.60 3hx6 s PHE 693 Cb -0.14 -1.03 0.08 0.00 -0.57 0.00 0.00 43.02 41.36 3hx6 s PHE 693 CO 0.03 0.62 0.92 0.34 -0.10 0.00 0.00 175.22 177.04 3hx6 s ASP 694 N -3.49 4.77 0.66 1.36 -1.08 -1.03 -0.28 116.67 117.57 3hx6 s ASP 694 Ca 0.29 -0.02 0.27 0.00 -0.52 0.00 0.00 52.55 52.58 3hx6 s ASP 694 Cb -0.03 -0.61 1.47 0.00 -1.46 0.00 0.00 42.92 42.29 3hx6 s ASP 694 CO 0.14 -1.55 1.83 0.00 0.52 0.00 0.00 175.17 176.10 3hx6 h THR 695 N -0.35 0.03 -2.67 1.71 1.03 -1.94 -2.52 112.91 108.19 3hx6 h THR 695 Ca -0.41 0.00 -0.65 0.00 -0.01 0.00 0.00 66.41 65.34 3hx6 h THR 695 Cb 1.29 0.60 -0.39 0.00 -1.07 0.00 0.00 68.15 68.58 3hx6 h THR 695 CO 0.49 0.00 -0.29 0.47 -0.01 0.00 0.00 175.52 176.18 3hx6 n ASP 696 N -2.92 4.12 -1.44 0.00 8.00 -1.26 -4.96 116.55 118.09 3hx6 n ASP 696 Ca -0.01 -3.34 0.00 0.00 0.71 0.00 0.00 54.79 52.15 3hx6 n ASP 696 Cb 0.47 -0.85 0.00 0.00 -0.02 0.00 0.00 41.12 40.72 3hx6 n ASP 696 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hx6 n GLY 697 N 1.39 0.00 3.25 0.44 0.00 -0.95 -4.84 105.19 104.47 3hx6 n GLY 697 Ca 0.26 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.95 3hx6 n GLY 697 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3hx6 s ASN 698 N -1.89 3.53 -0.50 1.61 0.01 -1.26 -4.88 114.94 111.57 3hx6 s ASN 698 Ca 0.00 -0.49 -0.33 0.00 -0.71 0.00 0.00 52.86 51.33 3hx6 s ASN 698 Cb 0.00 -1.53 -0.13 0.00 0.41 0.00 0.00 41.25 40.00 3hx6 s ASN 698 CO 0.00 0.09 2.33 -0.62 -1.51 0.00 0.00 177.10 177.39 3hx6 n GLU 699 N 3.99 0.85 -0.04 -0.60 -0.58 -1.26 -2.48 120.64 120.51 3hx6 n GLU 699 Ca -0.19 0.17 -0.06 0.00 -0.42 0.00 0.00 57.16 56.66 3hx6 n GLU 699 Cb 0.52 -2.47 -0.05 0.00 -0.57 0.00 0.00 31.44 28.87 3hx6 n GLU 699 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 3hx6 n THR 700 N 7.41 0.52 -3.90 2.62 -1.04 -0.45 -4.98 114.28 114.45 3hx6 n THR 700 Ca 0.45 -0.24 -0.09 0.00 -2.04 0.00 0.00 64.05 62.13 3hx6 n THR 700 Cb 0.25 -0.82 -0.06 0.00 -1.82 0.00 0.00 70.33 67.88 3hx6 n THR 700 CO 0.00 0.00 0.00 0.12 -0.64 0.00 0.00 175.07 174.55 3hx6 s PHE 701 N -2.18 0.27 -0.28 -1.42 2.19 -0.57 -4.97 117.98 111.01 3hx6 s PHE 701 Ca -0.10 -0.63 -0.18 0.00 0.33 0.00 0.00 56.93 56.35 3hx6 s PHE 701 Cb 0.03 0.02 0.10 0.00 -1.31 0.00 0.00 43.02 41.85 3hx6 s PHE 701 CO 0.24 -0.72 0.78 0.00 1.83 0.00 0.00 175.22 177.34 3hx6 s ALA 702 N -3.93 -1.96 -0.09 11.12 0.00 -1.26 0.10 121.76 125.75 3hx6 s ALA 702 Ca 0.14 2.30 0.04 0.00 0.00 0.00 0.00 51.96 54.43 3hx6 s ALA 702 Cb 0.03 -1.46 -0.01 0.00 0.00 0.00 0.00 23.12 21.68 3hx6 s ALA 702 CO -0.02 -0.36 -0.21 0.12 0.00 0.00 0.00 175.76 175.28 3hx6 s PHE 703 N 1.33 2.58 -0.29 0.00 2.19 0.26 -4.99 117.98 119.06 3hx6 s PHE 703 Ca -0.08 -0.77 0.03 0.00 0.33 0.00 0.00 56.93 56.44 3hx6 s PHE 703 Cb -0.05 -1.69 0.08 0.00 -1.31 0.00 0.00 43.02 40.05 3hx6 s PHE 703 CO -0.15 -0.25 -0.03 0.42 1.83 0.00 0.00 175.22 177.04 3hx6 s ILE 704 N 0.06 2.03 0.61 3.12 1.01 -1.26 -1.80 121.20 124.97 3hx6 s ILE 704 Ca -0.09 -1.83 -0.19 0.00 0.00 0.00 0.00 60.65 58.54 3hx6 s ILE 704 Cb -0.15 -2.32 -0.03 0.00 0.01 0.00 0.00 42.46 39.97 3hx6 s ILE 704 CO 0.06 -0.30 1.30 -2.16 0.00 0.00 0.00 174.94 173.84 3hx6 s PRO 705 N 1.10 2.80 0.54 2.79 0.04 -1.26 -4.86 135.00 136.16 3hx6 s PRO 705 Ca 0.00 2.08 0.35 0.00 0.04 0.00 0.00 61.00 63.48 3hx6 s PRO 705 Cb -0.19 -1.99 1.53 0.00 0.04 0.00 0.00 34.50 33.89 3hx6 s PRO 705 CO -0.08 -1.41 1.82 0.77 0.04 0.00 0.00 177.00 178.14 3hx6 h SER 706 N 0.88 0.00 -0.68 6.66 0.02 -2.00 0.24 113.55 118.68 3hx6 h SER 706 Ca -0.51 0.00 0.04 0.00 -0.84 0.00 0.00 61.79 60.48 3hx6 h SER 706 Cb 1.32 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.81 3hx6 h SER 706 CO 0.55 0.00 0.41 0.00 -1.14 0.00 0.00 176.83 176.65 3hx6 h ALA 707 N 1.43 0.89 -0.10 3.77 0.00 -1.98 0.17 119.26 123.44 3hx6 h ALA 707 Ca 0.52 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.42 3hx6 h ALA 707 Cb 2.11 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 19.71 3hx6 h ALA 707 CO -0.01 0.15 0.06 0.28 0.00 0.00 0.00 179.25 179.74 3hx6 h VAL 708 N 0.79 1.05 0.00 0.00 2.07 -0.85 -2.07 116.25 117.24 3hx6 h VAL 708 Ca 0.28 -0.12 -0.03 0.00 0.82 0.00 0.00 66.70 67.65 3hx6 h VAL 708 Cb 0.07 0.95 -0.00 0.00 -1.52 0.00 0.00 31.29 30.78 3hx6 h VAL 708 CO -0.13 0.04 -0.16 -0.26 0.02 0.00 0.00 177.57 177.09 3hx6 h PHE 709 N 0.11 0.00 0.00 1.57 0.04 -1.46 0.64 116.94 117.84 3hx6 h PHE 709 Ca 0.04 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.81 3hx6 h PHE 709 Cb 0.02 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.17 3hx6 h PHE 709 CO -0.06 0.16 0.00 1.49 -0.60 0.00 0.00 178.31 179.30 3hx6 h GLU 710 N 0.00 0.00 -0.45 1.51 4.57 -0.23 -3.52 114.58 116.46 3hx6 h GLU 710 Ca -0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 3hx6 h GLU 710 Cb 0.32 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.91 3hx6 h GLU 710 CO 0.02 0.00 0.00 1.63 -1.18 0.00 0.00 179.01 179.48 3hx6 n LYS 711 N -2.47 0.00 -0.06 1.92 5.02 0.21 -5.09 118.16 117.69 3hx6 n LYS 711 Ca -0.01 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.25 3hx6 n LYS 711 Cb 0.10 -0.08 -0.02 0.00 -0.02 0.00 0.00 35.03 35.01 3hx6 n LYS 711 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 3hx6 h GLY 723 N 0.53 0.00 1.07 0.72 0.00 -2.03 -3.52 103.07 99.83 3hx6 h GLY 723 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.17 3hx6 h GLY 723 CO 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 176.54 176.10 3hx6 h ALA 724 N -0.93 0.44 -0.47 3.60 0.00 -1.97 -2.70 119.26 117.24 3hx6 h ALA 724 Ca -0.01 -0.47 -0.04 0.00 0.00 0.00 0.00 54.91 54.39 3hx6 h ALA 724 Cb 0.25 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3hx6 h ALA 724 CO -0.01 0.58 0.14 1.25 0.00 0.00 0.00 179.25 181.21 3hx6 h HIS 725 N 0.57 0.69 -0.01 0.00 -0.00 -1.97 -2.01 115.15 112.42 3hx6 h HIS 725 Ca 0.03 -0.04 -0.11 0.00 -0.00 0.00 0.00 60.37 60.24 3hx6 h HIS 725 Cb 1.04 -0.21 -0.01 0.00 -0.00 0.00 0.00 27.41 28.23 3hx6 h HIS 725 CO 0.08 0.57 -0.51 1.96 -0.00 0.00 0.00 177.93 180.03 3hx6 h GLN 726 N 0.67 0.02 -0.12 5.26 4.20 -1.94 -1.56 115.11 121.65 3hx6 h GLN 726 Ca 0.16 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.85 3hx6 h GLN 726 Cb 0.21 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.98 3hx6 h GLN 726 CO -0.01 0.52 0.05 0.35 -0.67 0.00 0.00 178.83 179.08 3hx6 h PHE 727 N 0.02 0.17 -0.15 2.96 -0.00 -1.03 0.22 116.94 119.12 3hx6 h PHE 727 Ca -0.00 -0.01 -0.07 0.00 -0.00 0.00 0.00 57.97 57.89 3hx6 h PHE 727 Cb 0.90 -0.05 -0.00 0.00 -0.00 0.00 0.00 35.95 36.80 3hx6 h PHE 727 CO 0.00 0.24 -0.16 -0.92 -0.00 0.00 0.00 178.31 177.47 3hx6 h TYR 728 N 0.05 0.46 -0.18 0.41 5.03 -1.47 -3.21 116.97 118.06 3hx6 h TYR 728 Ca 0.04 -0.14 -0.07 0.00 2.58 0.00 0.00 58.73 61.14 3hx6 h TYR 728 Cb 0.14 -0.10 -0.01 0.00 1.55 0.00 0.00 36.73 38.31 3hx6 h TYR 728 CO -0.02 0.77 -0.22 0.28 -1.32 0.00 0.00 178.16 177.65 3hx6 h VAL 729 N 0.01 1.23 0.66 1.81 2.07 -1.26 -3.21 116.25 117.57 3hx6 h VAL 729 Ca 0.02 -1.08 -0.03 0.00 0.82 0.00 0.00 66.70 66.43 3hx6 h VAL 729 Cb 0.70 1.34 -0.00 0.00 -1.52 0.00 0.00 31.29 31.81 3hx6 h VAL 729 CO 0.04 0.34 -0.40 0.44 0.02 0.00 0.00 177.57 178.01 3hx6 h ASP 730 N 0.29 -0.99 -0.44 0.57 5.19 -0.58 -3.40 116.42 117.05 3hx6 h ASP 730 Ca 0.05 0.05 0.00 0.00 -0.62 0.00 0.00 57.03 56.51 3hx6 h ASP 730 Cb 0.55 0.29 0.00 0.00 0.18 0.00 0.00 39.33 40.35 3hx6 h ASP 730 CO 0.04 -0.62 0.00 0.61 -3.12 0.00 0.00 179.24 176.14 3hx6 n GLY 731 N -1.54 0.50 0.00 2.75 0.00 -1.21 -3.58 105.19 102.11 3hx6 n GLY 731 Ca -0.13 -1.66 0.00 0.00 0.00 0.00 0.00 46.02 44.23 3hx6 n GLY 731 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3hx6 n SER 732 N 0.47 0.00 -4.55 1.61 2.88 -1.26 -4.70 113.62 108.07 3hx6 n SER 732 Ca 0.00 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.23 3hx6 n SER 732 Cb 0.00 0.00 0.19 0.00 -0.75 0.00 0.00 64.21 63.65 3hx6 n SER 732 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3hx6 n PRO 733 N 0.00 -1.07 -4.36 -1.46 -0.04 -1.26 -4.94 135.00 121.87 3hx6 n PRO 733 Ca 0.00 -0.26 -0.34 0.00 -0.04 0.00 0.00 63.50 62.86 3hx6 n PRO 733 Cb 0.00 -2.20 -0.13 0.00 -0.04 0.00 0.00 33.50 31.13 3hx6 n PRO 733 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3hx6 s VAL 734 N -2.51 3.71 0.05 0.52 1.01 -0.70 -4.37 120.40 118.11 3hx6 s VAL 734 Ca 0.65 -0.41 0.07 0.00 0.00 0.00 0.00 61.98 62.28 3hx6 s VAL 734 Cb -0.23 -2.63 -0.03 0.00 0.00 0.00 0.00 36.38 33.49 3hx6 s VAL 734 CO 0.62 0.48 -0.15 0.68 0.00 0.00 0.00 175.10 176.73 3hx6 s VAL 735 N 0.58 2.99 -0.00 2.92 -7.23 -1.26 -0.11 120.40 118.29 3hx6 s VAL 735 Ca -0.03 -1.15 -0.29 0.00 -1.81 0.00 0.00 61.98 58.70 3hx6 s VAL 735 Cb -0.15 -2.29 0.10 0.00 0.56 0.00 0.00 36.38 34.61 3hx6 s VAL 735 CO 0.03 0.31 0.88 0.00 -0.31 0.00 0.00 175.10 176.00 3hx6 s ALA 736 N -0.98 -1.82 -0.06 1.32 0.00 -0.65 -4.99 121.76 114.59 3hx6 s ALA 736 Ca 0.16 1.01 -0.18 0.00 0.00 0.00 0.00 51.96 52.95 3hx6 s ALA 736 Cb -0.11 0.40 -0.05 0.00 0.00 0.00 0.00 23.12 23.37 3hx6 s ALA 736 CO 0.07 -0.68 0.49 -0.51 0.00 0.00 0.00 175.76 175.13 3hx6 s ASP 737 N -2.45 6.79 0.09 0.00 1.01 -1.26 0.09 116.67 120.94 3hx6 s ASP 737 Ca 0.05 0.94 0.01 0.00 0.71 0.00 0.00 52.55 54.26 3hx6 s ASP 737 Cb -0.01 -2.30 -0.04 0.00 1.01 0.00 0.00 42.92 41.58 3hx6 s ASP 737 CO -0.09 0.10 -0.05 0.00 0.21 0.00 0.00 175.17 175.35 3hx6 s ALA 738 N 0.01 0.85 -0.15 5.23 0.00 0.62 -4.94 121.76 123.38 3hx6 s ALA 738 Ca 0.27 -1.32 0.00 0.00 0.00 0.00 0.00 51.96 50.91 3hx6 s ALA 738 Cb -0.16 0.23 -0.01 0.00 0.00 0.00 0.00 23.12 23.18 3hx6 s ALA 738 CO 0.13 -0.29 -0.14 0.12 0.00 0.00 0.00 175.76 175.58 3hx6 s PHE 739 N -3.73 2.79 -0.06 0.00 2.19 -1.26 -0.60 117.98 117.31 3hx6 s PHE 739 Ca 0.11 -0.90 -0.30 0.00 0.33 0.00 0.00 56.93 56.18 3hx6 s PHE 739 Cb 0.06 -1.88 0.11 0.00 -1.31 0.00 0.00 43.02 40.01 3hx6 s PHE 739 CO -0.06 -0.38 0.97 -0.59 1.83 0.00 0.00 175.22 176.98 3hx6 s PHE 740 N 0.66 -0.30 -1.63 10.12 -0.12 -0.59 -4.26 117.98 121.86 3hx6 s PHE 740 Ca -0.07 0.23 0.00 0.00 -0.05 0.00 0.00 56.93 57.04 3hx6 s PHE 740 Cb -0.16 0.52 0.00 0.00 -0.63 0.00 0.00 43.02 42.76 3hx6 s PHE 740 CO 0.02 -0.45 0.00 0.41 -0.05 0.00 0.00 175.22 175.15 3hx6 n GLY 741 N -0.11 0.98 2.34 1.99 0.00 -1.26 -1.82 105.19 107.32 3hx6 n GLY 741 Ca -0.07 -0.23 -0.07 0.00 0.00 0.00 0.00 46.02 45.65 3hx6 n GLY 741 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hx6 n GLY 742 N -0.98 0.88 3.32 -0.02 0.00 -1.26 -4.99 105.19 102.14 3hx6 n GLY 742 Ca -0.17 -0.41 -0.09 0.00 0.00 0.00 0.00 46.02 45.34 3hx6 n GLY 742 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hx6 s ALA 743 N -2.12 -0.23 0.14 4.61 0.00 -0.76 -4.83 121.76 118.57 3hx6 s ALA 743 Ca 0.00 -0.68 -0.21 0.00 0.00 0.00 0.00 51.96 51.07 3hx6 s ALA 743 Cb 0.00 0.74 -0.07 0.00 0.00 0.00 0.00 23.12 23.79 3hx6 s ALA 743 CO 0.00 -0.62 0.67 -1.58 0.00 0.00 0.00 175.76 174.23 3hx6 s TRP 744 N -3.91 3.81 0.06 0.00 0.52 -1.26 -1.53 118.94 116.62 3hx6 s TRP 744 Ca 0.12 1.42 -0.02 0.00 0.02 0.00 0.00 56.10 57.64 3hx6 s TRP 744 Cb 0.03 -2.62 -0.03 0.00 -1.15 0.00 0.00 33.47 29.70 3hx6 s TRP 744 CO -0.04 0.51 0.01 -1.01 0.02 0.00 0.00 176.95 176.44 3hx6 s HIS 745 N -1.21 0.47 -0.24 -1.98 3.76 0.24 -4.98 115.29 111.35 3hx6 s HIS 745 Ca 0.34 -0.99 -0.07 0.00 -0.15 0.00 0.00 55.06 54.19 3hx6 s HIS 745 Cb -0.20 -0.34 -0.03 0.00 1.11 0.00 0.00 32.58 33.13 3hx6 s HIS 745 CO 0.22 -0.42 0.04 0.99 -0.85 0.00 0.00 174.74 174.73 3hx6 s THR 746 N -3.92 4.13 0.26 1.30 2.01 -1.26 -0.28 115.64 117.89 3hx6 s THR 746 Ca 0.07 -0.24 0.08 0.00 0.31 0.00 0.00 61.69 61.92 3hx6 s THR 746 Cb 0.07 -2.92 -0.04 0.00 0.01 0.00 0.00 72.50 69.63 3hx6 s THR 746 CO -0.10 0.36 0.10 0.54 -0.69 0.00 0.00 174.62 174.84 3hx6 s VAL 747 N 1.50 3.98 -0.10 3.82 0.11 0.11 -0.60 120.40 129.23 3hx6 s VAL 747 Ca 0.06 -1.64 -0.00 0.00 -2.93 0.00 0.00 61.98 57.46 3hx6 s VAL 747 Cb -0.15 -3.14 0.02 0.00 -1.53 0.00 0.00 36.38 31.58 3hx6 s VAL 747 CO 0.02 -0.36 -0.06 -0.22 -3.33 0.00 0.00 175.10 171.16 3hx6 s LEU 748 N -3.76 1.04 -0.23 2.54 0.20 0.16 -1.63 118.68 116.99 3hx6 s LEU 748 Ca 0.32 -0.23 -0.08 0.00 0.69 0.00 0.00 54.13 54.82 3hx6 s LEU 748 Cb -0.07 -0.71 -0.04 0.00 -0.43 0.00 0.00 46.19 44.94 3hx6 s LEU 748 CO 0.23 -0.13 0.10 -0.63 -0.29 0.00 0.00 176.35 175.63 3hx6 s ILE 749 N 1.70 4.80 0.33 6.68 1.09 0.85 -0.25 121.20 136.40 3hx6 s ILE 749 Ca 0.03 -0.01 0.09 0.00 -1.10 0.00 0.00 60.65 59.66 3hx6 s ILE 749 Cb -0.13 -3.22 -0.05 0.00 -1.06 0.00 0.00 42.46 37.99 3hx6 s ILE 749 CO -0.06 0.36 -0.02 -0.83 -0.10 0.00 0.00 174.94 174.29 3hx6 s GLY 750 N 1.15 2.06 0.04 6.18 0.00 0.81 -1.72 107.32 115.83 3hx6 s GLY 750 Ca 0.05 -1.96 0.04 0.00 0.00 0.00 0.00 44.72 42.85 3hx6 s GLY 750 CO 0.04 -1.92 -0.11 -1.35 0.00 0.00 0.00 173.10 169.76 3hx6 s SER 751 N -3.68 1.27 0.46 1.64 1.04 -1.26 -1.39 113.70 111.78 3hx6 s SER 751 Ca 0.34 -0.45 0.31 0.00 0.48 0.00 0.00 55.95 56.63 3hx6 s SER 751 Cb -0.00 -0.05 1.35 0.00 0.10 0.00 0.00 66.02 67.41 3hx6 s SER 751 CO 0.19 -0.05 1.92 -0.07 0.98 0.00 0.00 173.24 176.21 3hx6 h LEU 752 N 4.88 0.00 0.00 2.42 3.38 -1.51 -3.21 115.31 121.27 3hx6 h LEU 752 Ca -0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.61 3hx6 h LEU 752 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 3hx6 h LEU 752 CO 0.43 0.00 0.00 0.54 0.09 0.00 0.00 178.44 179.50 3hx6 n ARG 753 N -2.79 0.00 0.05 1.13 5.12 -1.26 -1.33 116.66 117.58 3hx6 n ARG 753 Ca 0.01 0.00 0.13 0.00 -1.93 0.00 0.00 57.85 56.06 3hx6 n ARG 753 Cb 0.25 0.00 0.52 0.00 -1.16 0.00 0.00 32.46 32.06 3hx6 n ARG 753 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3hx6 n ALA 754 N 11.76 2.26 0.25 7.54 0.00 -1.26 -3.85 120.51 137.21 3hx6 n ALA 754 Ca 0.00 -0.06 -0.10 0.00 0.00 0.00 0.00 53.44 53.28 3hx6 n ALA 754 Cb 0.00 -1.46 -0.05 0.00 0.00 0.00 0.00 19.45 17.95 3hx6 n ALA 754 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3hx6 h GLY 755 N 4.62 -0.67 0.00 0.00 0.00 -1.41 -3.49 103.07 102.13 3hx6 h GLY 755 Ca 0.00 0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.58 3hx6 h GLY 755 CO 0.00 -0.24 0.00 0.61 0.00 0.00 0.00 176.54 176.91 3hx6 n GLY 756 N -0.83 3.70 3.18 4.60 0.00 -1.23 -5.10 105.19 109.52 3hx6 n GLY 756 Ca -0.08 -1.38 -0.39 0.00 0.00 0.00 0.00 46.02 44.16 3hx6 n GLY 756 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hx6 s LYS 757 N -1.14 2.31 0.00 1.61 1.02 -1.26 -4.00 119.74 118.29 3hx6 s LYS 757 Ca 0.00 -1.80 0.00 0.00 0.02 0.00 0.00 55.97 54.19 3hx6 s LYS 757 Cb 0.00 -3.81 0.00 0.00 -0.52 0.00 0.00 37.83 33.50 3hx6 s LYS 757 CO 0.00 -1.15 0.00 0.41 -0.92 0.00 0.00 175.35 173.69 3hx6 n GLY 758 N 4.77 0.56 3.18 -3.33 0.00 -1.26 -3.72 105.19 105.40 3hx6 n GLY 758 Ca -0.06 -0.80 -0.12 0.00 0.00 0.00 0.00 46.02 45.05 3hx6 n GLY 758 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hx6 s LEU 759 N 0.00 2.50 0.06 0.99 2.01 -0.31 -1.54 118.68 122.40 3hx6 s LEU 759 Ca 0.00 -0.98 -0.10 0.00 0.01 0.00 0.00 54.13 53.05 3hx6 s LEU 759 Cb 0.00 -0.14 0.01 0.00 0.01 0.00 0.00 46.19 46.07 3hx6 s LEU 759 CO 0.00 -0.42 0.23 0.72 1.01 0.00 0.00 176.35 177.89 3hx6 s PHE 760 N -3.43 0.04 -0.04 0.29 -0.71 -0.49 0.54 117.98 114.17 3hx6 s PHE 760 Ca 0.12 -0.32 0.03 0.00 -1.04 0.00 0.00 56.93 55.72 3hx6 s PHE 760 Cb 0.04 0.00 0.01 0.00 -1.21 0.00 0.00 43.02 41.86 3hx6 s PHE 760 CO -0.03 -0.50 -0.12 0.00 -1.34 0.00 0.00 175.22 173.23 3hx6 s ALA 761 N -3.05 1.14 0.09 1.99 0.00 -0.34 -0.14 121.76 121.45 3hx6 s ALA 761 Ca -0.01 -0.43 0.10 0.00 0.00 0.00 0.00 51.96 51.61 3hx6 s ALA 761 Cb 0.01 -0.44 -0.04 0.00 0.00 0.00 0.00 23.12 22.65 3hx6 s ALA 761 CO -0.07 0.16 -0.24 -0.51 0.00 0.00 0.00 175.76 175.11 3hx6 s LEU 762 N 0.32 2.39 -0.50 0.00 1.43 0.66 -0.65 118.68 122.33 3hx6 s LEU 762 Ca -0.07 -0.62 -0.19 0.00 -1.03 0.00 0.00 54.13 52.22 3hx6 s LEU 762 Cb -0.12 -1.34 0.06 0.00 0.03 0.00 0.00 46.19 44.82 3hx6 s LEU 762 CO 0.02 0.21 0.59 -0.62 0.23 0.00 0.00 176.35 176.78 3hx6 s ASP 763 N -1.75 6.21 -0.24 2.29 -1.08 0.76 -0.67 116.67 122.18 3hx6 s ASP 763 Ca 0.14 -0.95 0.13 0.00 -0.52 0.00 0.00 52.55 51.35 3hx6 s ASP 763 Cb -0.10 -2.28 0.62 0.00 -1.46 0.00 0.00 42.92 39.70 3hx6 s ASP 763 CO 0.06 -0.85 1.57 0.52 0.52 0.00 0.00 175.17 176.98 3hx6 n VAL 764 N 5.56 2.57 -0.17 1.11 0.31 0.23 -1.96 118.33 125.98 3hx6 n VAL 764 Ca -0.07 -1.90 -0.06 0.00 -0.01 0.00 0.00 64.34 62.29 3hx6 n VAL 764 Cb 0.45 -0.30 0.03 0.00 -0.91 0.00 0.00 33.84 33.11 3hx6 n VAL 764 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 3hx6 h THR 765 N 2.16 1.10 -3.48 2.52 2.02 -1.84 -3.36 112.91 112.03 3hx6 h THR 765 Ca 0.11 -0.23 -0.71 0.00 0.77 0.00 0.00 66.41 66.35 3hx6 h THR 765 Cb 1.79 0.38 -0.29 0.00 -1.74 0.00 0.00 68.15 68.28 3hx6 h THR 765 CO 0.42 0.12 -0.50 -0.62 0.37 0.00 0.00 175.52 175.32 3hx6 s ASP 766 N -5.63 5.51 0.63 4.18 -1.08 -1.26 -4.92 116.67 114.10 3hx6 s ASP 766 Ca -0.13 -1.59 0.36 0.00 -0.52 0.00 0.00 52.55 50.67 3hx6 s ASP 766 Cb 0.12 -1.94 1.95 0.00 -1.46 0.00 0.00 42.92 41.59 3hx6 s ASP 766 CO 0.74 -0.52 2.09 1.55 0.52 0.00 0.00 175.17 179.55 3hx6 h PRO 767 N 8.32 0.00 0.00 4.34 0.13 -1.90 0.99 132.00 143.88 3hx6 h PRO 767 Ca -0.21 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.92 3hx6 h PRO 767 Cb 1.07 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.20 3hx6 h PRO 767 CO 0.73 0.00 -0.83 0.00 -0.23 0.00 0.00 178.00 177.68 3hx6 h ALA 768 N 1.68 0.59 -2.02 -0.56 0.00 -1.95 -3.40 119.26 113.60 3hx6 h ALA 768 Ca 0.00 -0.01 -0.56 0.00 0.00 0.00 0.00 54.91 54.34 3hx6 h ALA 768 Cb 0.31 0.00 -0.39 0.00 0.00 0.00 0.00 17.79 17.71 3hx6 h ALA 768 CO 0.00 0.01 -1.07 -1.71 0.00 0.00 0.00 179.25 176.49 3hx6 n ASN 769 N -2.76 0.52 -4.74 0.00 5.15 0.33 -5.11 115.26 108.65 3hx6 n ASN 769 Ca 0.01 -2.77 -0.41 0.00 -0.60 0.00 0.00 54.58 50.81 3hx6 n ASN 769 Cb 0.55 -0.64 -0.04 0.00 -0.53 0.00 0.00 39.78 39.12 3hx6 n ASN 769 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3hx6 s ILE 770 N -1.35 3.84 0.17 -1.44 1.01 -1.14 -4.59 121.20 117.71 3hx6 s ILE 770 Ca 0.36 1.62 0.10 0.00 0.00 0.00 0.00 60.65 62.73 3hx6 s ILE 770 Cb 0.18 -4.04 -0.04 0.00 0.01 0.00 0.00 42.46 38.57 3hx6 s ILE 770 CO -0.10 0.30 -0.21 -0.54 0.00 0.00 0.00 174.94 174.39 3hx6 s LYS 771 N -0.52 1.38 -0.30 2.79 1.02 -0.83 -4.95 119.74 118.33 3hx6 s LYS 771 Ca 0.48 -1.45 -0.20 0.00 0.02 0.00 0.00 55.97 54.83 3hx6 s LYS 771 Cb -0.29 -1.57 -0.01 0.00 -0.52 0.00 0.00 37.83 35.44 3hx6 s LYS 771 CO 0.35 0.33 0.62 -1.17 -0.92 0.00 0.00 175.35 174.56 3hx6 s LEU 772 N -2.63 4.14 -0.13 3.17 2.96 -1.26 -0.17 118.68 124.75 3hx6 s LEU 772 Ca 0.17 0.44 -0.21 0.00 -0.22 0.00 0.00 54.13 54.32 3hx6 s LEU 772 Cb -0.07 -2.80 -0.19 0.00 0.50 0.00 0.00 46.19 43.63 3hx6 s LEU 772 CO 0.08 -0.46 0.53 -0.07 -1.32 0.00 0.00 176.35 175.11 3hx6 h LEU 773 N 9.11 0.00 -7.36 -0.68 3.38 -1.22 -3.48 115.31 115.07 3hx6 h LEU 773 Ca -0.27 -0.71 0.18 0.00 0.09 0.00 0.00 57.88 57.17 3hx6 h LEU 773 Cb 1.12 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.76 3hx6 h LEU 773 CO 0.79 0.90 0.55 -1.66 0.09 0.00 0.00 178.44 179.12 3hx6 s TRP 774 N -2.06 -0.18 -0.02 1.13 1.48 -1.16 -4.93 118.94 113.20 3hx6 s TRP 774 Ca -0.15 -0.03 0.01 0.00 -1.06 0.00 0.00 56.10 54.87 3hx6 s TRP 774 Cb -0.02 0.59 0.01 0.00 -1.16 0.00 0.00 33.47 32.89 3hx6 s TRP 774 CO 0.51 -0.63 -0.03 -1.21 -4.06 0.00 0.00 176.95 171.53 3hx6 s GLU 775 N -3.06 0.41 -0.05 3.25 2.02 -1.26 -1.19 118.70 118.81 3hx6 s GLU 775 Ca 0.10 -0.07 0.06 0.00 0.02 0.00 0.00 54.97 55.08 3hx6 s GLU 775 Cb -0.00 -0.46 -0.01 0.00 0.10 0.00 0.00 34.13 33.76 3hx6 s GLU 775 CO -0.02 -0.01 -0.23 0.42 0.02 0.00 0.00 175.26 175.44 3hx6 s ILE 776 N 0.41 1.91 0.37 -1.63 -1.09 0.19 -4.98 121.20 116.39 3hx6 s ILE 776 Ca -0.04 -0.99 0.06 0.00 -2.23 0.00 0.00 60.65 57.44 3hx6 s ILE 776 Cb -0.08 -1.62 -0.02 0.00 -1.58 0.00 0.00 42.46 39.16 3hx6 s ILE 776 CO -0.01 0.54 0.21 0.61 -1.23 0.00 0.00 174.94 175.06 3hx6 n GLY 777 N 2.97 3.08 0.37 6.18 0.00 -1.26 -1.16 105.19 115.36 3hx6 n GLY 777 Ca -0.17 -2.00 0.19 0.00 0.00 0.00 0.00 46.02 44.03 3hx6 n GLY 777 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3hx6 h VAL 778 N 1.87 0.50 -0.59 1.61 2.07 -1.70 0.24 116.25 120.26 3hx6 h VAL 778 Ca -0.27 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.20 3hx6 h VAL 778 Cb 1.20 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 31.68 3hx6 h VAL 778 CO 0.42 0.00 0.16 0.44 0.02 0.00 0.00 177.57 178.61 3hx6 h ASP 779 N 0.00 0.83 0.19 0.57 3.45 -1.95 -2.19 116.42 117.34 3hx6 h ASP 779 Ca 0.16 -0.15 -0.35 0.00 0.43 0.00 0.00 57.03 57.13 3hx6 h ASP 779 Cb 0.83 -0.22 0.01 0.00 -0.56 0.00 0.00 39.33 39.40 3hx6 h ASP 779 CO -0.00 0.80 -1.74 1.56 -1.57 0.00 0.00 179.24 178.29 3hx6 h GLN 780 N 0.86 0.41 -3.47 3.56 7.50 -1.05 -3.43 115.11 119.50 3hx6 h GLN 780 Ca 0.19 -0.70 -0.60 0.00 0.50 0.00 0.00 58.65 58.04 3hx6 h GLN 780 Cb 0.29 0.26 -0.40 0.00 0.05 0.00 0.00 27.48 27.68 3hx6 h GLN 780 CO -0.00 1.34 -0.75 -2.00 -1.50 0.00 0.00 178.83 175.92 3hx6 s GLU 781 N -2.58 1.00 0.36 1.46 2.56 0.37 -4.92 118.70 116.95 3hx6 s GLU 781 Ca -0.16 -1.50 0.11 0.00 0.00 0.00 0.00 54.97 53.43 3hx6 s GLU 781 Cb 0.05 -2.24 0.89 0.00 2.00 0.00 0.00 34.13 34.83 3hx6 s GLU 781 CO 0.86 -1.05 1.84 -1.00 -0.56 0.00 0.00 175.26 175.35 3hx6 h PRO 782 N 7.54 0.60 -0.51 4.30 0.13 -1.65 -1.20 132.00 141.20 3hx6 h PRO 782 Ca -0.08 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.02 3hx6 h PRO 782 Cb 0.98 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 31.98 3hx6 h PRO 782 CO 0.48 0.39 0.00 -0.25 -0.23 0.00 0.00 178.00 178.39 3hx6 n ASP 783 N -4.59 2.04 -4.70 1.44 8.00 -1.26 -4.33 116.55 113.15 3hx6 n ASP 783 Ca 0.20 -2.14 -0.42 0.00 0.71 0.00 0.00 54.79 53.13 3hx6 n ASP 783 Cb 0.58 -0.34 -0.03 0.00 -0.02 0.00 0.00 41.12 41.31 3hx6 n ASP 783 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3hx6 s LEU 784 N -1.02 4.31 0.00 0.64 2.96 -0.45 -4.76 118.68 120.36 3hx6 s LEU 784 Ca 0.20 1.89 0.00 0.00 -0.22 0.00 0.00 54.13 56.00 3hx6 s LEU 784 Cb 0.12 -3.57 0.00 0.00 0.50 0.00 0.00 46.19 43.25 3hx6 s LEU 784 CO 0.10 -0.54 0.00 0.61 -1.32 0.00 0.00 176.35 175.20 3hx6 n GLY 785 N 3.32 3.56 3.67 7.98 0.00 0.18 -4.39 105.19 119.51 3hx6 n GLY 785 Ca 0.10 -2.15 -0.42 0.00 0.00 0.00 0.00 46.02 43.55 3hx6 n GLY 785 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hx6 s TYR 786 N 0.12 1.76 -1.41 1.61 2.02 0.09 -4.29 117.35 117.24 3hx6 s TYR 786 Ca 0.00 -0.17 -0.10 0.00 -0.37 0.00 0.00 57.07 56.43 3hx6 s TYR 786 Cb 0.00 -4.16 -0.07 0.00 -0.40 0.00 0.00 41.96 37.33 3hx6 s TYR 786 CO 0.00 -4.99 2.65 0.43 -1.57 0.00 0.00 175.55 172.07 3hx6 n SER 787 N 6.66 7.15 0.09 2.29 7.64 -1.25 -2.10 113.62 134.09 3hx6 n SER 787 Ca 0.18 -2.54 -0.11 0.00 1.01 0.00 0.00 58.87 57.42 3hx6 n SER 787 Cb 0.40 -1.44 -0.08 0.00 -1.01 0.00 0.00 64.21 62.08 3hx6 n SER 787 CO 0.00 0.00 0.00 -0.26 -3.01 0.00 0.00 175.04 171.77 3hx6 h PHE 788 N 5.52 0.29 -3.37 1.43 0.04 -1.89 -3.38 116.94 115.58 3hx6 h PHE 788 Ca 0.74 -0.19 -0.57 0.00 2.80 0.00 0.00 57.97 60.75 3hx6 h PHE 788 Cb 0.30 -0.02 0.12 0.00 2.20 0.00 0.00 35.95 38.55 3hx6 h PHE 788 CO 1.84 1.09 0.44 -2.30 -0.60 0.00 0.00 178.31 178.78 3hx6 n PRO 789 N -3.54 1.88 -3.05 1.51 -0.02 -1.26 -4.94 135.00 125.58 3hx6 n PRO 789 Ca -0.04 0.67 -0.41 0.00 -2.02 0.00 0.00 63.50 61.70 3hx6 n PRO 789 Cb 0.91 -2.30 -0.06 0.00 -0.02 0.00 0.00 33.50 32.04 3hx6 n PRO 789 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3hx6 s LYS 790 N -2.06 4.15 0.62 -0.52 2.20 -1.26 -4.87 119.74 117.99 3hx6 s LYS 790 Ca 0.60 0.67 -0.13 0.00 -0.36 0.00 0.00 55.97 56.75 3hx6 s LYS 790 Cb -0.54 -3.63 -0.03 0.00 -1.51 0.00 0.00 37.83 32.11 3hx6 s LYS 790 CO 0.59 -0.41 1.03 -1.25 -0.36 0.00 0.00 175.35 174.96 3hx6 s PRO 791 N 2.48 3.42 -0.05 4.03 0.04 -1.26 -4.17 135.00 139.49 3hx6 s PRO 791 Ca 0.29 0.94 0.06 0.00 0.04 0.00 0.00 61.00 62.33 3hx6 s PRO 791 Cb -0.16 -2.06 -0.02 0.00 0.04 0.00 0.00 34.50 32.31 3hx6 s PRO 791 CO 0.09 -0.71 -0.24 0.99 0.04 0.00 0.00 177.00 177.17 3hx6 s THR 792 N -2.89 2.21 -0.25 1.26 2.01 0.56 -4.95 115.64 113.60 3hx6 s THR 792 Ca 0.58 -1.03 -0.12 0.00 0.31 0.00 0.00 61.69 61.44 3hx6 s THR 792 Cb -0.13 -1.80 -0.05 0.00 0.01 0.00 0.00 72.50 70.54 3hx6 s THR 792 CO 0.46 0.57 0.24 -0.69 -0.69 0.00 0.00 174.62 174.51 3hx6 s VAL 793 N -0.38 5.30 0.13 3.82 1.01 -1.26 -0.35 120.40 128.67 3hx6 s VAL 793 Ca 0.03 0.32 -0.12 0.00 0.00 0.00 0.00 61.98 62.21 3hx6 s VAL 793 Cb -0.12 -3.57 0.01 0.00 0.00 0.00 0.00 36.38 32.70 3hx6 s VAL 793 CO 0.02 0.28 0.31 0.00 0.00 0.00 0.00 175.10 175.71 3hx6 s ALA 794 N 1.40 -0.46 -0.09 5.51 0.00 -0.38 -4.97 121.76 122.76 3hx6 s ALA 794 Ca 0.10 -0.47 -0.18 0.00 0.00 0.00 0.00 51.96 51.42 3hx6 s ALA 794 Cb -0.15 0.68 -0.05 0.00 0.00 0.00 0.00 23.12 23.61 3hx6 s ALA 794 CO 0.07 -0.62 0.47 0.50 0.00 0.00 0.00 175.76 176.19 3hx6 s ARG 795 N -3.87 4.26 0.34 0.00 6.06 -1.26 -0.07 118.95 124.41 3hx6 s ARG 795 Ca 0.08 0.46 0.09 0.00 -2.50 0.00 0.00 55.73 53.86 3hx6 s ARG 795 Cb 0.03 -3.39 -0.05 0.00 0.06 0.00 0.00 34.95 31.60 3hx6 s ARG 795 CO -0.08 0.28 0.02 -0.51 -2.50 0.00 0.00 175.30 172.52 3hx6 s LEU 796 N 0.22 3.02 0.00 -0.88 1.43 -0.27 -0.33 118.68 121.87 3hx6 s LEU 796 Ca 0.26 -0.95 0.11 0.00 -1.03 0.00 0.00 54.13 52.52 3hx6 s LEU 796 Cb -0.16 -1.41 0.62 0.00 0.03 0.00 0.00 46.19 45.28 3hx6 s LEU 796 CO 0.11 -0.23 1.17 1.41 0.23 0.00 0.00 176.35 179.05 3hx6 n HIS 797 N -0.97 0.00 1.47 0.29 8.25 -1.26 -1.50 115.22 121.50 3hx6 n HIS 797 Ca -0.04 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.52 3hx6 n HIS 797 Cb 0.62 -0.13 0.44 0.00 1.12 0.00 0.00 29.99 32.04 3hx6 n HIS 797 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 3hx6 n ASN 798 N -1.13 1.16 0.00 0.41 6.94 -1.26 -1.56 115.26 119.83 3hx6 n ASN 798 Ca 0.07 -1.61 0.00 0.00 -0.02 0.00 0.00 54.58 53.02 3hx6 n ASN 798 Cb 0.06 -0.07 0.00 0.00 -2.36 0.00 0.00 39.78 37.41 3hx6 n ASN 798 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3hx6 n GLY 799 N 1.03 0.76 3.24 4.83 0.00 -0.56 -2.90 105.19 111.59 3hx6 n GLY 799 Ca 0.16 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.04 3hx6 n GLY 799 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hx6 s LYS 800 N -0.48 1.16 0.32 1.61 1.02 -1.23 -4.95 119.74 117.18 3hx6 s LYS 800 Ca 0.00 -1.58 -0.16 0.00 0.02 0.00 0.00 55.97 54.25 3hx6 s LYS 800 Cb 0.00 -0.16 -0.09 0.00 -0.52 0.00 0.00 37.83 37.06 3hx6 s LYS 800 CO 0.00 -0.20 0.76 -1.58 -0.92 0.00 0.00 175.35 173.41 3hx6 s TRP 801 N -3.77 3.41 0.16 3.18 0.52 -1.26 -1.12 118.94 120.06 3hx6 s TRP 801 Ca 0.28 1.29 -0.10 0.00 0.02 0.00 0.00 56.10 57.60 3hx6 s TRP 801 Cb 0.07 -2.59 -0.00 0.00 -1.15 0.00 0.00 33.47 29.79 3hx6 s TRP 801 CO 0.06 0.10 0.30 0.00 0.02 0.00 0.00 176.95 177.43 3hx6 s ALA 802 N -1.94 -0.13 -0.30 0.98 0.00 0.90 -1.86 121.76 119.41 3hx6 s ALA 802 Ca 0.53 -0.78 -0.10 0.00 0.00 0.00 0.00 51.96 51.61 3hx6 s ALA 802 Cb -0.11 0.81 -0.02 0.00 0.00 0.00 0.00 23.12 23.80 3hx6 s ALA 802 CO 0.17 -0.64 0.17 0.08 0.00 0.00 0.00 175.76 175.54 3hx6 s VAL 803 N -3.94 4.93 -0.18 0.00 1.01 0.15 -1.25 120.40 121.11 3hx6 s VAL 803 Ca 0.15 -0.17 -0.04 0.00 0.00 0.00 0.00 61.98 61.92 3hx6 s VAL 803 Cb 0.03 -3.44 -0.02 0.00 0.00 0.00 0.00 36.38 32.95 3hx6 s VAL 803 CO -0.02 0.14 -0.03 -0.69 0.00 0.00 0.00 175.10 174.50 3hx6 s VAL 804 N 1.68 3.77 0.29 2.92 1.01 0.53 -0.31 120.40 130.29 3hx6 s VAL 804 Ca 0.06 -0.39 -0.16 0.00 0.00 0.00 0.00 61.98 61.50 3hx6 s VAL 804 Cb -0.17 -2.68 0.02 0.00 0.00 0.00 0.00 36.38 33.55 3hx6 s VAL 804 CO 0.08 0.46 0.63 0.28 0.00 0.00 0.00 175.10 176.55 3hx6 s THR 805 N 0.74 0.00 0.35 3.92 -1.32 -0.61 -0.32 115.64 118.40 3hx6 s THR 805 Ca -0.01 -1.19 -0.15 0.00 -1.21 0.00 0.00 61.69 59.12 3hx6 s THR 805 Cb -0.14 -2.26 -0.09 0.00 -1.51 0.00 0.00 72.50 68.49 3hx6 s THR 805 CO 0.02 0.00 0.77 -0.83 -2.21 0.00 0.00 174.62 172.37 3hx6 s GLY 806 N -3.00 2.30 0.25 6.08 0.00 -1.23 -0.52 107.32 111.19 3hx6 s GLY 806 Ca 0.17 0.07 0.19 0.00 0.00 0.00 0.00 44.72 45.15 3hx6 s GLY 806 CO 0.09 0.29 1.58 1.16 0.00 0.00 0.00 173.10 176.22 3hx6 n ASN 807 N -0.52 0.49 0.00 1.64 6.94 -0.29 -4.81 115.26 118.71 3hx6 n ASN 807 Ca 0.04 0.69 0.00 0.00 -0.02 0.00 0.00 54.58 55.29 3hx6 n ASN 807 Cb 0.53 -0.77 0.00 0.00 -2.36 0.00 0.00 39.78 37.18 3hx6 n ASN 807 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3hx6 n GLY 808 N -0.97 -1.95 3.61 4.83 0.00 -1.10 0.47 105.19 110.07 3hx6 n GLY 808 Ca -0.00 -1.91 -0.27 0.00 0.00 0.00 0.00 46.02 43.83 3hx6 n GLY 808 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hx6 s TYR 809 N -0.08 2.73 -1.38 1.61 2.02 -0.89 -3.64 117.35 117.71 3hx6 s TYR 809 Ca 0.00 -0.18 -0.02 0.00 -0.37 0.00 0.00 57.07 56.50 3hx6 s TYR 809 Cb 0.00 -1.34 -0.00 0.00 -0.40 0.00 0.00 41.96 40.22 3hx6 s TYR 809 CO 0.00 0.50 0.45 -1.13 -1.57 0.00 0.00 175.55 173.80 3hx6 n SER 810 N 0.07 -0.68 -4.88 2.29 3.41 -1.26 -0.74 113.62 111.84 3hx6 n SER 810 Ca -0.11 -1.01 -0.31 0.00 -0.26 0.00 0.00 58.87 57.19 3hx6 n SER 810 Cb 0.55 -3.09 0.03 0.00 -0.26 0.00 0.00 64.21 61.44 3hx6 n SER 810 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3hx6 s SER 811 N -4.31 5.91 0.01 4.04 1.04 -1.26 -4.62 113.70 114.50 3hx6 s SER 811 Ca 0.04 1.30 -0.01 0.00 0.48 0.00 0.00 55.95 57.75 3hx6 s SER 811 Cb -0.01 -2.24 -0.00 0.00 0.10 0.00 0.00 66.02 63.86 3hx6 s SER 811 CO 0.89 -1.06 0.16 0.80 0.98 0.00 0.00 173.24 175.00 3hx6 n MET 812 N -2.86 -0.02 -0.89 4.02 0.00 -1.26 0.97 117.12 117.08 3hx6 n MET 812 Ca 0.06 0.16 -0.05 0.00 -0.00 0.00 0.00 57.70 57.86 3hx6 n MET 812 Cb 0.55 -0.23 0.25 0.00 0.00 0.00 0.00 33.22 33.79 3hx6 n MET 812 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 3hx6 n ASN 813 N -2.75 3.92 -2.55 6.12 3.02 -1.26 -4.95 115.26 116.81 3hx6 n ASN 813 Ca 0.00 -3.38 -0.11 0.00 -0.03 0.00 0.00 54.58 51.06 3hx6 n ASN 813 Cb 0.01 -0.70 -0.00 0.00 -0.61 0.00 0.00 39.78 38.48 3hx6 n ASN 813 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3hx6 n ASP 814 N -0.61 -3.22 -4.92 6.41 8.00 0.27 -4.91 116.55 117.57 3hx6 n ASP 814 Ca 0.38 0.20 -0.26 0.00 0.71 0.00 0.00 54.79 55.82 3hx6 n ASP 814 Cb 1.25 -2.77 0.03 0.00 -0.02 0.00 0.00 41.12 39.62 3hx6 n ASP 814 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3hx6 s LYS 815 N -5.12 2.88 -0.10 -1.24 1.02 -1.25 -0.78 119.74 115.15 3hx6 s LYS 815 Ca 0.04 -0.05 0.04 0.00 0.02 0.00 0.00 55.97 56.02 3hx6 s LYS 815 Cb -0.02 -2.28 -0.00 0.00 -0.52 0.00 0.00 37.83 35.01 3hx6 s LYS 815 CO 0.05 -0.71 -0.24 0.00 -0.92 0.00 0.00 175.35 173.53 3hx6 s ALA 816 N -2.98 2.15 0.02 5.17 0.00 -1.26 -3.88 121.76 120.97 3hx6 s ALA 816 Ca 0.54 -0.96 -0.23 0.00 0.00 0.00 0.00 51.96 51.30 3hx6 s ALA 816 Cb -0.11 -0.79 0.05 0.00 0.00 0.00 0.00 23.12 22.27 3hx6 s ALA 816 CO 0.45 0.30 0.53 0.00 0.00 0.00 0.00 175.76 177.03 3hx6 s ALA 817 N 0.31 -1.35 -0.06 0.00 0.00 -1.26 -0.38 121.76 119.02 3hx6 s ALA 817 Ca -0.18 0.72 -0.20 0.00 0.00 0.00 0.00 51.96 52.30 3hx6 s ALA 817 Cb -0.18 0.25 -0.04 0.00 0.00 0.00 0.00 23.12 23.15 3hx6 s ALA 817 CO 0.08 -0.44 0.58 -1.17 0.00 0.00 0.00 175.76 174.82 3hx6 s LEU 818 N -1.71 4.34 -0.20 0.00 2.96 0.37 -1.14 118.68 123.31 3hx6 s LEU 818 Ca -0.08 1.05 -0.05 0.00 -0.22 0.00 0.00 54.13 54.83 3hx6 s LEU 818 Cb -0.01 -2.89 -0.03 0.00 0.50 0.00 0.00 46.19 43.77 3hx6 s LEU 818 CO 0.02 0.01 0.01 -0.76 -1.32 0.00 0.00 176.35 174.31 3hx6 s LEU 819 N 0.34 3.31 -0.34 -0.68 1.43 0.32 -0.79 118.68 122.27 3hx6 s LEU 819 Ca 0.31 -0.18 -0.04 0.00 -1.03 0.00 0.00 54.13 53.20 3hx6 s LEU 819 Cb -0.17 -1.84 0.06 0.00 0.03 0.00 0.00 46.19 44.27 3hx6 s LEU 819 CO 0.15 0.07 0.09 -0.63 0.23 0.00 0.00 176.35 176.25 3hx6 s ILE 820 N 0.99 3.31 -0.22 -0.59 1.01 -0.03 -1.57 121.20 124.11 3hx6 s ILE 820 Ca 0.02 -1.48 -0.06 0.00 0.00 0.00 0.00 60.65 59.13 3hx6 s ILE 820 Cb -0.14 -2.99 -0.03 0.00 0.01 0.00 0.00 42.46 39.31 3hx6 s ILE 820 CO 0.02 -0.28 0.04 -0.63 0.00 0.00 0.00 174.94 174.09 3hx6 s ILE 821 N 1.27 4.22 0.16 2.92 1.01 0.57 -0.37 121.20 130.98 3hx6 s ILE 821 Ca -0.01 -0.22 -0.32 0.00 0.00 0.00 0.00 60.65 60.10 3hx6 s ILE 821 Cb -0.21 -2.93 -0.12 0.00 0.01 0.00 0.00 42.46 39.21 3hx6 s ILE 821 CO -0.01 0.40 1.74 -0.67 0.00 0.00 0.00 174.94 176.40 3hx6 n ASP 822 N 4.39 3.82 -0.07 3.58 2.03 0.27 0.32 116.55 130.89 3hx6 n ASP 822 Ca -0.17 1.04 -0.08 0.00 0.52 0.00 0.00 54.79 56.10 3hx6 n ASP 822 Cb 0.52 -1.53 -0.01 0.00 -0.72 0.00 0.00 41.12 39.38 3hx6 n ASP 822 CO 0.00 0.00 0.00 -0.03 -1.92 0.00 0.00 177.20 175.25 3hx6 h MET 823 N 7.31 0.28 -0.10 -0.67 1.85 -1.69 0.30 114.93 122.22 3hx6 h MET 823 Ca -0.45 -0.02 -0.17 0.00 -0.61 0.00 0.00 59.70 58.45 3hx6 h MET 823 Cb 1.22 -0.06 0.01 0.00 0.43 0.00 0.00 31.60 33.20 3hx6 h MET 823 CO 0.94 0.19 -0.61 1.49 -0.40 0.00 0.00 176.91 178.52 3hx6 h GLU 824 N 0.29 0.59 0.01 0.39 4.81 -1.90 -3.38 114.58 115.39 3hx6 h GLU 824 Ca 0.11 -0.50 -0.32 0.00 -0.13 0.00 0.00 59.36 58.53 3hx6 h GLU 824 Cb 0.03 0.11 -0.05 0.00 0.63 0.00 0.00 28.75 29.47 3hx6 h GLU 824 CO -0.08 1.12 -1.92 2.41 -0.73 0.00 0.00 179.01 179.81 3hx6 n THR 825 N -4.14 1.57 -0.86 0.32 -1.04 -1.22 -4.86 114.28 104.04 3hx6 n THR 825 Ca -0.08 -0.79 0.00 0.00 -2.04 0.00 0.00 64.05 61.13 3hx6 n THR 825 Cb 0.66 -0.97 0.00 0.00 -1.82 0.00 0.00 70.33 68.20 3hx6 n THR 825 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3hx6 n GLY 826 N 1.66 0.70 3.79 3.41 0.00 0.11 -4.88 105.19 109.97 3hx6 n GLY 826 Ca -0.23 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.44 3hx6 n GLY 826 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hx6 s ALA 827 N -2.63 2.98 -0.68 4.61 0.00 -1.26 -4.69 121.76 120.09 3hx6 s ALA 827 Ca 0.00 0.69 -0.27 0.00 0.00 0.00 0.00 51.96 52.37 3hx6 s ALA 827 Cb 0.00 -3.28 0.03 0.00 0.00 0.00 0.00 23.12 19.87 3hx6 s ALA 827 CO 0.00 -0.31 1.29 0.42 0.00 0.00 0.00 175.76 177.16 3hx6 s ILE 828 N -1.78 3.80 0.10 0.00 -1.09 -1.26 -0.56 121.20 120.40 3hx6 s ILE 828 Ca 0.63 0.57 -0.15 0.00 -2.23 0.00 0.00 60.65 59.46 3hx6 s ILE 828 Cb -0.20 -4.79 -0.07 0.00 -1.58 0.00 0.00 42.46 35.81 3hx6 s ILE 828 CO 0.25 -1.62 1.45 0.74 -1.23 0.00 0.00 174.94 174.52 3hx6 h THR 829 N 6.12 1.30 -2.30 2.92 2.02 -1.06 -3.46 112.91 118.45 3hx6 h THR 829 Ca -0.27 -1.36 -0.07 0.00 0.77 0.00 0.00 66.41 65.48 3hx6 h THR 829 Cb 1.06 1.50 -0.21 0.00 -1.74 0.00 0.00 68.15 68.76 3hx6 h THR 829 CO 1.24 0.44 0.02 -0.13 0.37 0.00 0.00 175.52 177.46 3hx6 s ARG 830 N -4.49 0.81 -0.24 6.66 1.81 -1.07 -4.97 118.95 117.46 3hx6 s ARG 830 Ca -0.13 0.50 0.01 0.00 -1.72 0.00 0.00 55.73 54.40 3hx6 s ARG 830 Cb 0.09 0.39 0.06 0.00 -0.45 0.00 0.00 34.95 35.04 3hx6 s ARG 830 CO 0.82 -0.18 -0.04 0.21 -0.68 0.00 0.00 175.30 175.43 3hx6 s LYS 831 N -0.41 1.59 -0.58 3.54 2.20 -1.26 -0.85 119.74 123.97 3hx6 s LYS 831 Ca -0.06 -1.04 -0.18 0.00 -0.36 0.00 0.00 55.97 54.33 3hx6 s LYS 831 Cb -0.03 -2.60 0.12 0.00 -1.51 0.00 0.00 37.83 33.80 3hx6 s LYS 831 CO 0.04 -0.63 0.63 -0.51 -0.36 0.00 0.00 175.35 174.53 3hx6 s LEU 832 N 1.37 5.71 0.34 5.43 1.02 0.03 -4.90 118.68 127.69 3hx6 s LEU 832 Ca -0.04 -1.60 -0.27 0.00 0.02 0.00 0.00 54.13 52.24 3hx6 s LEU 832 Cb -0.19 -2.27 -0.09 0.00 0.02 0.00 0.00 46.19 43.66 3hx6 s LEU 832 CO -0.07 -1.01 1.05 -0.70 0.02 0.00 0.00 176.35 175.64 3hx6 s GLU 833 N 2.24 4.42 -0.03 1.70 2.12 -1.26 -0.48 118.70 127.40 3hx6 s GLU 833 Ca 0.09 1.61 0.06 0.00 0.36 0.00 0.00 54.97 57.08 3hx6 s GLU 833 Cb -0.26 -2.85 -0.02 0.00 0.26 0.00 0.00 34.13 31.26 3hx6 s GLU 833 CO 0.05 0.06 -0.20 0.08 -0.54 0.00 0.00 175.26 174.70 3hx6 s VAL 834 N -1.44 2.53 -0.49 3.70 1.01 0.49 -4.89 120.40 121.31 3hx6 s VAL 834 Ca 0.51 -0.93 -0.12 0.00 0.00 0.00 0.00 61.98 61.44 3hx6 s VAL 834 Cb -0.26 -1.93 0.12 0.00 0.00 0.00 0.00 36.38 34.30 3hx6 s VAL 834 CO 0.33 0.59 0.41 -0.89 0.00 0.00 0.00 175.10 175.53 3hx6 s THR 835 N -0.66 4.70 0.00 3.92 2.01 -1.26 -4.36 115.64 119.99 3hx6 s THR 835 Ca 0.11 -1.58 0.00 0.00 0.31 0.00 0.00 61.69 60.53 3hx6 s THR 835 Cb -0.10 -4.02 0.00 0.00 0.01 0.00 0.00 72.50 68.39 3hx6 s THR 835 CO -0.00 -0.77 0.00 0.61 -0.69 0.00 0.00 174.62 173.76 3hx6 n GLY 836 N 5.07 1.78 3.74 4.40 0.00 -1.26 -5.00 105.19 113.92 3hx6 n GLY 836 Ca -0.11 -1.75 -0.40 0.00 0.00 0.00 0.00 46.02 43.76 3hx6 n GLY 836 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hx6 s ARG 837 N 4.11 4.49 0.55 1.61 0.52 -1.26 -5.04 118.95 123.93 3hx6 s ARG 837 Ca 0.00 1.05 -0.21 0.00 -0.52 0.00 0.00 55.73 56.05 3hx6 s ARG 837 Cb 0.00 -3.38 -0.05 0.00 0.52 0.00 0.00 34.95 32.04 3hx6 s ARG 837 CO 0.00 0.25 1.26 2.41 0.02 0.00 0.00 175.30 179.24 3hx6 n THR 838 N 2.96 3.78 0.00 0.02 -1.04 -1.26 -2.69 114.28 116.05 3hx6 n THR 838 Ca -0.02 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.49 3hx6 n THR 838 Cb 0.50 -1.53 0.00 0.00 -1.82 0.00 0.00 70.33 67.48 3hx6 n THR 838 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3hx6 n GLY 839 N 0.89 0.53 3.61 3.41 0.00 -1.26 -4.91 105.19 107.46 3hx6 n GLY 839 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 3hx6 n GLY 839 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hx6 s VAL 840 N -1.04 5.08 0.25 1.61 1.01 -1.10 -5.02 120.40 121.19 3hx6 s VAL 840 Ca 0.00 0.81 -0.30 0.00 0.00 0.00 0.00 61.98 62.49 3hx6 s VAL 840 Cb 0.00 -3.82 -0.14 0.00 0.00 0.00 0.00 36.38 32.41 3hx6 s VAL 840 CO 0.00 0.07 1.12 -2.65 0.00 0.00 0.00 175.10 173.65 3hx6 n PRO 841 N 5.53 1.41 -4.26 2.72 -0.02 -1.26 -4.79 135.00 134.33 3hx6 n PRO 841 Ca -0.05 0.50 -0.15 0.00 -2.02 0.00 0.00 63.50 61.78 3hx6 n PRO 841 Cb 0.50 -1.95 -0.10 0.00 -0.02 0.00 0.00 33.50 31.93 3hx6 n PRO 841 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 3hx6 s ASN 842 N -0.26 0.87 0.00 2.55 2.47 0.04 -4.65 114.94 115.96 3hx6 s ASN 842 Ca 0.64 -1.49 0.00 0.00 0.42 0.00 0.00 52.86 52.44 3hx6 s ASN 842 Cb -0.74 0.38 0.00 0.00 -1.45 0.00 0.00 41.25 39.44 3hx6 s ASN 842 CO 0.56 -0.87 0.00 0.61 -3.72 0.00 0.00 177.10 173.68 3hx6 n GLY 843 N -0.43 1.45 3.76 1.21 0.00 -1.25 -3.93 105.19 106.01 3hx6 n GLY 843 Ca 0.02 0.05 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 3hx6 n GLY 843 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hx6 s LEU 844 N 0.00 4.55 0.00 0.99 2.96 -1.24 -1.90 118.68 124.05 3hx6 s LEU 844 Ca 0.00 1.61 0.00 0.00 -0.22 0.00 0.00 54.13 55.52 3hx6 s LEU 844 Cb 0.00 -3.30 0.00 0.00 0.50 0.00 0.00 46.19 43.39 3hx6 s LEU 844 CO 0.00 0.14 0.00 -1.20 -1.32 0.00 0.00 176.35 173.97 3hx6 n SER 845 N 1.98 0.00 -4.68 3.68 7.64 0.92 -2.72 113.62 120.44 3hx6 n SER 845 Ca -0.04 -0.77 -0.48 0.00 1.01 0.00 0.00 58.87 58.59 3hx6 n SER 845 Cb 0.49 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.64 3hx6 n SER 845 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 3hx6 n SER 846 N -2.31 3.42 -4.91 6.43 7.64 -1.23 -3.51 113.62 119.15 3hx6 n SER 846 Ca 0.00 0.99 -0.27 0.00 1.01 0.00 0.00 58.87 60.60 3hx6 n SER 846 Cb 0.00 -1.39 0.01 0.00 -1.01 0.00 0.00 64.21 61.82 3hx6 n SER 846 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 3hx6 s PRO 847 N 3.51 3.36 -0.13 1.43 0.04 -1.26 -3.89 135.00 138.06 3hx6 s PRO 847 Ca 0.90 0.14 0.01 0.00 0.04 0.00 0.00 61.00 62.09 3hx6 s PRO 847 Cb -0.68 -2.35 0.02 0.00 0.04 0.00 0.00 34.50 31.54 3hx6 s PRO 847 CO 0.49 -0.35 -0.14 0.50 0.04 0.00 0.00 177.00 177.53 3hx6 s ARG 848 N -4.81 2.24 0.09 4.56 6.06 0.22 -4.80 118.95 122.51 3hx6 s ARG 848 Ca 0.49 -0.55 -0.14 0.00 -2.50 0.00 0.00 55.73 53.04 3hx6 s ARG 848 Cb -0.10 -2.00 -0.06 0.00 0.06 0.00 0.00 34.95 32.85 3hx6 s ARG 848 CO 0.45 -0.16 0.49 -0.51 -2.50 0.00 0.00 175.30 173.06 3hx6 s LEU 849 N 1.28 4.39 -0.09 -0.88 1.02 -1.26 0.01 118.68 123.15 3hx6 s LEU 849 Ca 0.00 1.01 0.02 0.00 0.02 0.00 0.00 54.13 55.18 3hx6 s LEU 849 Cb -0.14 -3.03 -0.02 0.00 0.02 0.00 0.00 46.19 43.03 3hx6 s LEU 849 CO -0.07 0.18 -0.16 0.00 0.02 0.00 0.00 176.35 176.32 3hx6 s ALA 850 N -1.34 2.53 -0.43 4.21 0.00 0.12 -4.96 121.76 121.89 3hx6 s ALA 850 Ca 0.33 -0.95 0.04 0.00 0.00 0.00 0.00 51.96 51.38 3hx6 s ALA 850 Cb -0.16 -1.03 0.12 0.00 0.00 0.00 0.00 23.12 22.05 3hx6 s ALA 850 CO 0.18 0.37 0.16 0.34 0.00 0.00 0.00 175.76 176.81 3hx6 s ASP 851 N -0.05 4.49 0.00 0.00 2.15 -1.26 0.11 116.67 122.10 3hx6 s ASP 851 Ca -0.04 -2.57 0.30 0.00 0.43 0.00 0.00 52.55 50.67 3hx6 s ASP 851 Cb -0.14 -1.59 1.50 0.00 -0.30 0.00 0.00 42.92 42.39 3hx6 s ASP 851 CO 0.04 -0.31 2.00 0.59 -0.17 0.00 0.00 175.17 177.33 3hx6 n ASN 852 N 3.70 0.54 -0.27 -0.34 3.02 -1.26 -3.50 115.26 117.15 3hx6 n ASN 852 Ca 0.04 -1.04 0.06 0.00 -0.03 0.00 0.00 54.58 53.62 3hx6 n ASN 852 Cb 0.37 -0.02 0.09 0.00 -0.61 0.00 0.00 39.78 39.61 3hx6 n ASN 852 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 3hx6 n ASN 853 N -0.65 1.46 -4.03 6.41 6.94 -1.26 -5.04 115.26 119.10 3hx6 n ASN 853 Ca 0.20 -2.70 -0.42 0.00 -0.02 0.00 0.00 54.58 51.64 3hx6 n ASN 853 Cb 0.22 -0.35 0.02 0.00 -2.36 0.00 0.00 39.78 37.31 3hx6 n ASN 853 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 3hx6 n SER 854 N -0.88 -3.82 0.00 0.53 7.64 -1.23 -4.87 113.62 111.00 3hx6 n SER 854 Ca 0.10 -1.18 0.00 0.00 1.01 0.00 0.00 58.87 58.80 3hx6 n SER 854 Cb 0.67 -1.45 0.00 0.00 -1.01 0.00 0.00 64.21 62.42 3hx6 n SER 854 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 3hx6 n ASP 855 N -1.92 1.54 0.00 6.43 5.75 -1.26 -5.00 116.55 122.09 3hx6 n ASP 855 Ca -0.12 -1.67 0.00 0.00 -0.01 0.00 0.00 54.79 52.99 3hx6 n ASP 855 Cb 0.53 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.62 3hx6 n ASP 855 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3hx6 n GLY 856 N -0.34 0.68 3.23 6.12 0.00 -1.26 -4.61 105.19 109.02 3hx6 n GLY 856 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 3hx6 n GLY 856 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hx6 s VAL 857 N -2.59 2.92 0.40 1.61 1.01 -1.26 -4.27 120.40 118.23 3hx6 s VAL 857 Ca 0.00 -0.76 -0.27 0.00 0.00 0.00 0.00 61.98 60.96 3hx6 s VAL 857 Cb 0.00 -2.36 -0.10 0.00 0.00 0.00 0.00 36.38 33.92 3hx6 s VAL 857 CO 0.00 0.38 1.44 0.00 0.00 0.00 0.00 175.10 176.93 3hx6 n ALA 858 N 4.72 2.13 -0.04 5.51 0.00 0.55 -4.72 120.51 128.66 3hx6 n ALA 858 Ca -0.18 0.31 -0.06 0.00 0.00 0.00 0.00 53.44 53.51 3hx6 n ALA 858 Cb 0.49 -2.39 -0.05 0.00 0.00 0.00 0.00 19.45 17.50 3hx6 n ALA 858 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3hx6 n ASP 859 N 0.25 3.20 -4.19 0.00 8.00 0.12 -4.35 116.55 119.57 3hx6 n ASP 859 Ca 0.03 -0.03 -0.11 0.00 0.71 0.00 0.00 54.79 55.39 3hx6 n ASP 859 Cb 0.40 0.17 -0.10 0.00 -0.02 0.00 0.00 41.12 41.56 3hx6 n ASP 859 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3hx6 s TYR 860 N -2.19 1.02 -0.01 1.24 2.02 -1.01 -0.01 117.35 118.42 3hx6 s TYR 860 Ca -0.10 -1.19 0.00 0.00 -0.37 0.00 0.00 57.07 55.42 3hx6 s TYR 860 Cb 0.03 -0.57 0.01 0.00 -0.40 0.00 0.00 41.96 41.03 3hx6 s TYR 860 CO 0.26 -0.44 -0.01 0.00 -1.57 0.00 0.00 175.55 173.79 3hx6 s ALA 861 N -3.94 0.14 -0.03 3.71 0.00 -0.85 0.13 121.76 120.93 3hx6 s ALA 861 Ca 0.26 0.02 0.07 0.00 0.00 0.00 0.00 51.96 52.31 3hx6 s ALA 861 Cb 0.07 -0.10 -0.02 0.00 0.00 0.00 0.00 23.12 23.08 3hx6 s ALA 861 CO 0.04 -0.00 -0.25 0.71 0.00 0.00 0.00 175.76 176.26 3hx6 s TYR 862 N 0.25 2.28 -0.19 0.00 1.51 0.10 -0.08 117.35 121.23 3hx6 s TYR 862 Ca -0.02 -0.49 -0.22 0.00 -1.01 0.00 0.00 57.07 55.33 3hx6 s TYR 862 Cb -0.04 -1.47 0.06 0.00 -0.11 0.00 0.00 41.96 40.39 3hx6 s TYR 862 CO -0.01 -0.08 0.59 0.00 -1.11 0.00 0.00 175.55 174.94 3hx6 s ALA 863 N -0.48 -1.48 0.44 3.71 0.00 -0.19 0.70 121.76 124.46 3hx6 s ALA 863 Ca 0.06 1.55 0.03 0.00 0.00 0.00 0.00 51.96 53.61 3hx6 s ALA 863 Cb -0.11 -0.78 0.01 0.00 0.00 0.00 0.00 23.12 22.24 3hx6 s ALA 863 CO 0.00 -0.29 0.62 0.20 0.00 0.00 0.00 175.76 176.29 3hx6 s GLY 864 N -0.00 1.69 0.29 0.00 0.00 -1.26 -0.16 107.32 107.88 3hx6 s GLY 864 Ca -0.02 -1.31 0.04 0.00 0.00 0.00 0.00 44.72 43.42 3hx6 s GLY 864 CO 0.02 -1.14 0.03 0.51 0.00 0.00 0.00 173.10 172.52 3hx6 s ASP 865 N -4.27 2.23 0.66 1.64 3.84 -0.54 -0.06 116.67 120.18 3hx6 s ASP 865 Ca 0.50 -1.32 0.36 0.00 -0.00 0.00 0.00 52.55 52.10 3hx6 s ASP 865 Cb -0.10 -0.06 1.97 0.00 -1.38 0.00 0.00 42.92 43.35 3hx6 s ASP 865 CO 0.35 -0.56 2.12 -0.07 -0.00 0.00 0.00 175.17 177.02 3hx6 h LEU 866 N 2.23 0.00 -0.75 2.11 3.38 -1.58 0.59 115.31 121.28 3hx6 h LEU 866 Ca -0.40 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.57 3hx6 h LEU 866 Cb 1.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.99 3hx6 h LEU 866 CO 0.68 0.00 0.00 0.00 0.09 0.00 0.00 178.44 179.21 3hx6 n GLN 867 N -3.02 1.51 -0.68 1.13 6.02 -1.26 -3.93 117.38 117.15 3hx6 n GLN 867 Ca -0.02 -0.75 0.00 0.00 -0.01 0.00 0.00 57.00 56.22 3hx6 n GLN 867 Cb 0.25 -1.46 0.00 0.00 1.02 0.00 0.00 30.24 30.05 3hx6 n GLN 867 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3hx6 n GLY 868 N 1.11 0.73 3.77 1.08 0.00 0.17 -4.47 105.19 107.58 3hx6 n GLY 868 Ca 0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 3hx6 n GLY 868 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3hx6 s ASN 869 N -2.38 7.26 -0.36 1.61 0.01 -1.26 0.61 114.94 120.43 3hx6 s ASN 869 Ca 0.00 1.50 -0.09 0.00 -0.71 0.00 0.00 52.86 53.56 3hx6 s ASN 869 Cb 0.00 -2.46 0.04 0.00 0.41 0.00 0.00 41.25 39.24 3hx6 s ASN 869 CO 0.00 0.15 0.17 -0.22 -1.51 0.00 0.00 177.10 175.69 3hx6 s LEU 870 N -0.74 4.60 0.18 0.60 1.98 0.13 -1.47 118.68 123.96 3hx6 s LEU 870 Ca 0.35 -1.11 -0.01 0.00 -2.89 0.00 0.00 54.13 50.48 3hx6 s LEU 870 Cb -0.21 -1.95 -0.04 0.00 0.66 0.00 0.00 46.19 44.64 3hx6 s LEU 870 CO 0.24 -0.38 0.36 0.26 -1.89 0.00 0.00 176.35 174.94 3hx6 s TRP 871 N 1.48 3.49 0.04 5.38 0.52 0.78 0.11 118.94 130.72 3hx6 s TRP 871 Ca 0.00 0.32 0.06 0.00 0.02 0.00 0.00 56.10 56.51 3hx6 s TRP 871 Cb -0.20 -1.83 -0.02 0.00 -1.15 0.00 0.00 33.47 30.27 3hx6 s TRP 871 CO 0.05 0.42 -0.18 0.50 0.02 0.00 0.00 176.95 177.76 3hx6 s ARG 872 N -3.19 1.17 -0.04 4.98 3.52 -1.26 -1.02 118.95 123.10 3hx6 s ARG 872 Ca 0.38 -0.85 0.04 0.00 -0.13 0.00 0.00 55.73 55.16 3hx6 s ARG 872 Cb -0.11 -1.23 -0.00 0.00 -1.56 0.00 0.00 34.95 32.04 3hx6 s ARG 872 CO 0.28 0.31 -0.15 -0.06 -0.81 0.00 0.00 175.30 174.87 3hx6 s PHE 873 N -0.82 1.58 -0.23 5.12 0.08 0.89 -0.90 117.98 123.69 3hx6 s PHE 873 Ca 0.05 -0.47 -0.24 0.00 0.12 0.00 0.00 56.93 56.39 3hx6 s PHE 873 Cb -0.08 -1.08 -0.01 0.00 -0.57 0.00 0.00 43.02 41.27 3hx6 s PHE 873 CO 0.02 -0.18 0.79 -0.51 -0.10 0.00 0.00 175.22 175.24 3hx6 s ASP 874 N 0.15 6.80 -0.39 1.36 -0.00 0.12 -2.00 116.67 122.71 3hx6 s ASP 874 Ca -0.05 1.00 0.06 0.00 -0.00 0.00 0.00 52.55 53.55 3hx6 s ASP 874 Cb -0.12 -2.42 0.51 0.00 -0.00 0.00 0.00 42.92 40.89 3hx6 s ASP 874 CO 0.02 -0.47 1.59 0.18 -0.00 0.00 0.00 175.17 176.49 3hx6 n LEU 875 N 5.85 5.36 -4.36 1.23 4.77 0.99 -1.96 117.00 128.88 3hx6 n LEU 875 Ca 0.04 -4.04 -0.19 0.00 -0.03 0.00 0.00 56.01 51.80 3hx6 n LEU 875 Cb 0.48 -0.68 -0.10 0.00 -2.33 0.00 0.00 43.42 40.79 3hx6 n LEU 875 CO 0.47 1.44 -0.36 0.27 -1.33 0.00 0.00 177.39 177.87 3hx6 s ILE 876 N -3.81 1.37 0.86 -0.08 -4.36 -1.24 -4.42 121.20 109.50 3hx6 s ILE 876 Ca 0.52 -2.09 -0.11 0.00 -0.26 0.00 0.00 60.65 58.70 3hx6 s ILE 876 Cb 0.44 -2.31 0.11 0.00 1.25 0.00 0.00 42.46 41.95 3hx6 s ILE 876 CO 0.02 -0.38 1.17 0.00 0.24 0.00 0.00 174.94 175.98 3hx6 s ALA 877 N -3.20 1.68 0.07 2.27 0.00 -1.26 -4.45 121.76 116.87 3hx6 s ALA 877 Ca 0.27 0.67 -0.16 0.00 0.00 0.00 0.00 51.96 52.74 3hx6 s ALA 877 Cb 0.04 -3.45 -0.17 0.00 0.00 0.00 0.00 23.12 19.54 3hx6 s ALA 877 CO 0.09 -2.49 1.27 0.78 0.00 0.00 0.00 175.76 175.41 3hx6 h GLY 878 N -1.41 0.70 -7.54 0.00 0.00 -1.92 -3.37 103.07 89.52 3hx6 h GLY 878 Ca -0.44 -0.97 -0.69 0.00 0.00 0.00 0.00 47.33 45.23 3hx6 h GLY 878 CO 0.44 0.86 1.24 0.54 0.00 0.00 0.00 176.54 179.62 3hx6 s LYS 879 N -3.75 3.81 0.17 4.80 1.02 -1.26 -5.00 119.74 119.53 3hx6 s LYS 879 Ca -0.12 -1.99 -0.08 0.00 0.02 0.00 0.00 55.97 53.80 3hx6 s LYS 879 Cb 0.07 -5.09 -0.06 0.00 -0.52 0.00 0.00 37.83 32.23 3hx6 s LYS 879 CO 0.86 -1.88 0.46 0.08 -0.92 0.00 0.00 175.35 173.95 3hx6 s VAL 880 N 2.75 5.05 -0.54 3.17 1.01 -1.26 -5.06 120.40 125.52 3hx6 s VAL 880 Ca 0.40 0.30 -0.17 0.00 0.00 0.00 0.00 61.98 62.51 3hx6 s VAL 880 Cb -0.03 -3.63 0.10 0.00 0.00 0.00 0.00 36.38 32.83 3hx6 s VAL 880 CO -0.04 0.03 0.56 0.20 0.00 0.00 0.00 175.10 175.85 3hx6 s ASN 881 N -2.28 6.18 0.56 3.32 -0.87 -1.26 -4.94 114.94 115.65 3hx6 s ASN 881 Ca 0.42 -1.50 0.34 0.00 -1.57 0.00 0.00 52.86 50.55 3hx6 s ASN 881 Cb -0.12 -2.24 1.15 0.00 -0.02 0.00 0.00 41.25 40.02 3hx6 s ASN 881 CO 0.22 -0.91 1.33 0.00 -2.57 0.00 0.00 177.10 175.17 3hx6 n GLN 882 N 5.70 0.01 0.16 -0.60 6.02 -1.26 0.11 117.38 127.51 3hx6 n GLN 882 Ca -0.11 1.00 0.07 0.00 -0.01 0.00 0.00 57.00 57.94 3hx6 n GLN 882 Cb 0.42 -2.41 0.07 0.00 1.02 0.00 0.00 30.24 29.33 3hx6 n GLN 882 CO 0.00 0.00 0.00 0.38 -1.01 0.00 0.00 177.06 176.43 3hx6 h ASP 883 N 0.00 0.00 -0.64 1.08 3.04 -1.97 -3.39 116.42 114.54 3hx6 h ASP 883 Ca 0.62 0.00 -0.32 0.00 -3.24 0.00 0.00 57.03 54.09 3hx6 h ASP 883 Cb 3.10 0.00 -0.22 0.00 -1.04 0.00 0.00 39.33 41.17 3hx6 h ASP 883 CO -0.01 0.27 -0.69 -0.67 -2.04 0.00 0.00 179.24 176.10 3hx6 n ASP 884 N -3.09 -1.63 -0.07 4.15 4.64 0.31 -5.01 116.55 115.85 3hx6 n ASP 884 Ca 0.01 -3.30 0.16 0.00 -1.38 0.00 0.00 54.79 50.29 3hx6 n ASP 884 Cb 0.65 1.08 0.57 0.00 -1.04 0.00 0.00 41.12 42.39 3hx6 n ASP 884 CO 0.00 0.00 0.00 1.55 -0.82 0.00 0.00 177.20 177.93 3hx6 h PRO 885 N 3.50 0.24 -0.60 -0.67 0.13 -1.25 -1.42 132.00 131.94 3hx6 h PRO 885 Ca -0.06 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 3hx6 h PRO 885 Cb 1.02 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.09 3hx6 h PRO 885 CO 0.31 0.16 0.00 1.19 -0.23 0.00 0.00 178.00 179.43 3hx6 n PHE 886 N -4.44 0.98 -1.66 1.56 0.99 -1.26 -4.73 117.46 108.89 3hx6 n PHE 886 Ca 0.11 -0.43 -0.38 0.00 -0.00 0.00 0.00 57.45 56.75 3hx6 n PHE 886 Cb 0.51 -0.11 0.05 0.00 -1.00 0.00 0.00 39.48 38.93 3hx6 n PHE 886 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 3hx6 n SER 887 N 1.00 1.52 -0.74 4.37 2.88 -0.53 -4.92 113.62 117.19 3hx6 n SER 887 Ca 0.20 0.88 0.12 0.00 -1.33 0.00 0.00 58.87 58.74 3hx6 n SER 887 Cb 0.61 -1.46 0.19 0.00 -0.75 0.00 0.00 64.21 62.80 3hx6 n SER 887 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3hx6 n ARG 888 N -0.99 1.92 -0.31 -1.46 1.74 -1.26 -4.57 116.66 111.73 3hx6 n ARG 888 Ca 0.13 -1.49 0.13 0.00 -0.77 0.00 0.00 57.85 55.85 3hx6 n ARG 888 Cb 0.46 -1.47 0.31 0.00 -1.02 0.00 0.00 32.46 30.74 3hx6 n ARG 888 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3hx6 h ALA 889 N 4.44 1.47 -0.61 7.54 0.00 -1.97 -1.09 119.26 129.04 3hx6 h ALA 889 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3hx6 h ALA 889 Cb 0.83 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.74 3hx6 h ALA 889 CO 0.00 -0.32 0.00 0.09 0.00 0.00 0.00 179.25 179.02 3hx6 n ASN 890 N -5.01 5.29 -4.76 0.00 3.02 -1.26 -5.00 115.26 107.54 3hx6 n ASN 890 Ca 0.22 -2.71 -0.39 0.00 -0.03 0.00 0.00 54.58 51.67 3hx6 n ASN 890 Cb 0.65 -0.64 0.01 0.00 -0.61 0.00 0.00 39.78 39.20 3hx6 n ASN 890 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 3hx6 s ASP 891 N -0.86 5.92 0.00 6.41 1.11 -0.41 -4.74 116.67 124.09 3hx6 s ASP 891 Ca 0.53 2.82 0.00 0.00 0.18 0.00 0.00 52.55 56.08 3hx6 s ASP 891 Cb 0.38 -2.65 0.00 0.00 1.07 0.00 0.00 42.92 41.72 3hx6 s ASP 891 CO 0.20 -1.14 0.00 0.61 1.18 0.00 0.00 175.17 176.03 3hx6 n GLY 892 N 0.61 0.71 0.38 0.21 0.00 -0.60 -4.81 105.19 101.69 3hx6 n GLY 892 Ca 0.05 -1.19 0.20 0.00 0.00 0.00 0.00 46.02 45.08 3hx6 n GLY 892 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hx6 h PRO 893 N 0.00 0.00 0.00 1.61 0.13 -1.84 -1.21 132.00 130.69 3hx6 h PRO 893 Ca 0.00 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.11 3hx6 h PRO 893 Cb 0.00 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.13 3hx6 h PRO 893 CO 0.00 0.00 -0.07 0.00 -0.23 0.00 0.00 178.00 177.70 3hx6 h ALA 894 N 1.59 1.29 0.00 -0.56 0.00 -1.91 -2.78 119.26 116.89 3hx6 h ALA 894 Ca 0.18 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 3hx6 h ALA 894 Cb 0.95 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 3hx6 h ALA 894 CO -0.00 0.09 -0.53 0.28 0.00 0.00 0.00 179.25 179.09 3hx6 h VAL 895 N 0.00 1.15 -0.96 0.00 2.07 -1.49 -3.29 116.25 113.73 3hx6 h VAL 895 Ca -0.00 -1.98 0.12 0.00 0.82 0.00 0.00 66.70 65.65 3hx6 h VAL 895 Cb 0.23 2.14 -0.08 0.00 -1.52 0.00 0.00 31.29 32.07 3hx6 h VAL 895 CO 0.01 0.52 0.61 0.00 0.02 0.00 0.00 177.57 178.73 3hx6 h ALA 896 N 1.47 1.60 0.00 1.67 0.00 -1.65 -0.95 119.26 121.39 3hx6 h ALA 896 Ca -0.01 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3hx6 h ALA 896 Cb 1.10 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 3hx6 h ALA 896 CO 0.07 0.17 -0.11 0.66 0.00 0.00 0.00 179.25 180.04 3hx6 h SER 897 N 0.93 0.00 0.79 0.00 4.64 -1.76 -2.34 113.55 115.81 3hx6 h SER 897 Ca 0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.79 3hx6 h SER 897 Cb 0.50 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 3hx6 h SER 897 CO -0.23 0.11 -0.24 -1.54 -0.87 0.00 0.00 176.83 174.05 3hx6 n SER 898 N -3.51 0.27 -4.73 4.97 3.41 -0.37 -4.86 113.62 108.80 3hx6 n SER 898 Ca -0.01 0.16 -0.42 0.00 -0.26 0.00 0.00 58.87 58.33 3hx6 n SER 898 Cb 0.25 -0.16 -0.01 0.00 -0.26 0.00 0.00 64.21 64.04 3hx6 n SER 898 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3hx6 n PHE 899 N -1.55 2.59 -3.79 7.33 0.99 -0.88 -4.66 117.46 117.49 3hx6 n PHE 899 Ca 0.06 0.47 -0.07 0.00 -0.00 0.00 0.00 57.45 57.91 3hx6 n PHE 899 Cb 0.34 -2.48 -0.02 0.00 -1.00 0.00 0.00 39.48 36.32 3hx6 n PHE 899 CO 0.00 0.00 0.00 -0.98 -0.00 0.00 0.00 176.76 175.78 3hx6 s ARG 900 N -1.65 1.62 0.11 -1.08 1.70 -0.83 -5.00 118.95 113.82 3hx6 s ARG 900 Ca 0.57 -0.87 -0.30 0.00 -0.47 0.00 0.00 55.73 54.66 3hx6 s ARG 900 Cb -0.53 0.57 -0.06 0.00 -0.57 0.00 0.00 34.95 34.36 3hx6 s ARG 900 CO 0.60 -0.74 1.07 0.08 -1.08 0.00 0.00 175.30 175.23 3hx6 s VAL 901 N -3.79 4.21 1.00 4.99 1.01 -1.26 0.11 120.40 126.66 3hx6 s VAL 901 Ca 0.10 1.75 -0.15 0.00 0.00 0.00 0.00 61.98 63.68 3hx6 s VAL 901 Cb -0.05 -4.12 0.19 0.00 0.00 0.00 0.00 36.38 32.41 3hx6 s VAL 901 CO 0.04 0.23 1.18 -0.44 0.00 0.00 0.00 175.10 176.11 3hx6 s SER 902 N 0.37 2.74 -1.38 3.32 0.01 -0.08 -4.12 113.70 114.56 3hx6 s SER 902 Ca 0.51 0.68 -0.07 0.00 1.31 0.00 0.00 55.95 58.38 3hx6 s SER 902 Cb -0.27 -1.01 0.04 0.00 0.21 0.00 0.00 66.02 64.99 3hx6 s SER 902 CO 0.31 -3.00 0.52 0.49 0.41 0.00 0.00 173.24 171.97 3hx6 n PHE 903 N -4.02 -1.85 -2.28 2.43 0.99 -0.77 -1.63 117.46 110.32 3hx6 n PHE 903 Ca 0.11 0.47 -0.19 0.00 -0.00 0.00 0.00 57.45 57.83 3hx6 n PHE 903 Cb 0.59 -3.57 -0.02 0.00 -1.00 0.00 0.00 39.48 35.48 3hx6 n PHE 903 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3hx6 n GLY 904 N -1.30 -0.15 0.78 1.37 0.00 -0.97 -1.84 105.19 103.08 3hx6 n GLY 904 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 3hx6 n GLY 904 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hx6 n GLY 905 N -0.89 0.69 3.86 -0.02 0.00 -0.65 -5.04 105.19 103.14 3hx6 n GLY 905 Ca -0.23 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.43 3hx6 n GLY 905 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hx6 s GLN 906 N -0.72 3.73 0.69 1.61 -1.52 -0.77 -4.71 119.66 117.97 3hx6 s GLN 906 Ca 0.00 0.17 -0.12 0.00 -1.95 0.00 0.00 55.36 53.46 3hx6 s GLN 906 Cb 0.00 -3.15 0.01 0.00 -0.22 0.00 0.00 33.01 29.65 3hx6 s GLN 906 CO 0.00 0.68 1.08 -1.25 -0.25 0.00 0.00 175.29 175.55 3hx6 s PRO 907 N -1.31 2.81 0.24 2.91 0.04 -1.26 -4.57 135.00 133.86 3hx6 s PRO 907 Ca 0.24 1.14 -0.04 0.00 0.04 0.00 0.00 61.00 62.37 3hx6 s PRO 907 Cb -0.15 -1.97 0.27 0.00 0.04 0.00 0.00 34.50 32.70 3hx6 s PRO 907 CO 0.12 -1.21 1.78 1.25 0.04 0.00 0.00 177.00 178.98 3hx6 h LEU 908 N -0.46 0.92 -7.07 -3.56 5.85 0.39 -3.46 115.31 107.93 3hx6 h LEU 908 Ca -0.45 -0.18 -0.04 0.00 0.84 0.00 0.00 57.88 58.05 3hx6 h LEU 908 Cb 1.22 -0.24 -0.15 0.00 0.37 0.00 0.00 40.66 41.86 3hx6 h LEU 908 CO 0.55 0.89 0.15 -0.47 -0.34 0.00 0.00 178.44 179.22 3hx6 s TYR 909 N -5.28 -0.53 -0.22 1.25 6.14 -1.16 -4.75 117.35 112.81 3hx6 s TYR 909 Ca -0.11 0.54 0.01 0.00 0.64 0.00 0.00 57.07 58.15 3hx6 s TYR 909 Cb 0.15 0.46 0.05 0.00 0.42 0.00 0.00 41.96 43.04 3hx6 s TYR 909 CO 0.82 -0.73 -0.07 -1.12 0.64 0.00 0.00 175.55 175.09 3hx6 s SER 910 N -2.18 3.66 -0.13 4.32 0.01 -1.26 0.17 113.70 118.30 3hx6 s SER 910 Ca -0.03 -1.07 -0.29 0.00 1.31 0.00 0.00 55.95 55.86 3hx6 s SER 910 Cb -0.01 -1.17 -0.01 0.00 0.21 0.00 0.00 66.02 65.04 3hx6 s SER 910 CO -0.05 -0.21 1.09 0.00 0.41 0.00 0.00 173.24 174.49 3hx6 s ALA 911 N 1.41 3.52 0.03 1.44 0.00 0.20 -4.96 121.76 123.41 3hx6 s ALA 911 Ca -0.04 0.41 0.04 0.00 0.00 0.00 0.00 51.96 52.36 3hx6 s ALA 911 Cb -0.18 -3.50 -0.02 0.00 0.00 0.00 0.00 23.12 19.42 3hx6 s ALA 911 CO -0.07 -0.81 -0.12 0.14 0.00 0.00 0.00 175.76 174.91 3hx6 s VAL 912 N 2.49 0.95 1.19 0.00 -7.23 -1.26 -0.82 120.40 115.72 3hx6 s VAL 912 Ca 0.50 -0.88 -0.20 0.00 -1.81 0.00 0.00 61.98 59.59 3hx6 s VAL 912 Cb -0.20 -0.87 0.29 0.00 0.56 0.00 0.00 36.38 36.17 3hx6 s VAL 912 CO 0.16 -0.01 1.14 1.51 -0.31 0.00 0.00 175.10 177.59 3hx6 s ASP 913 N -1.00 1.01 0.51 4.85 1.47 0.20 -4.79 116.67 118.91 3hx6 s ASP 913 Ca 0.00 0.52 0.34 0.00 1.18 0.00 0.00 52.55 54.60 3hx6 s ASP 913 Cb -0.07 -0.68 1.87 0.00 -0.34 0.00 0.00 42.92 43.70 3hx6 s ASP 913 CO 0.01 -4.06 2.05 -1.28 0.68 0.00 0.00 175.17 172.57 3hx6 h SER 914 N -2.54 0.00 -0.43 2.11 0.87 -1.89 -0.10 113.55 111.58 3hx6 h SER 914 Ca -0.44 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.12 3hx6 h SER 914 Cb 1.28 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.24 3hx6 h SER 914 CO 0.32 0.00 0.00 0.00 -0.53 0.00 0.00 176.83 176.62 3hx6 n ALA 915 N -1.94 2.42 -0.55 6.23 0.00 -1.26 -4.96 120.51 120.44 3hx6 n ALA 915 Ca -0.02 -1.03 0.00 0.00 0.00 0.00 0.00 53.44 52.39 3hx6 n ALA 915 Cb 0.05 -0.89 0.00 0.00 0.00 0.00 0.00 19.45 18.62 3hx6 n ALA 915 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hx6 n GLY 916 N 1.53 0.75 3.80 0.00 0.00 -0.05 -5.06 105.19 106.17 3hx6 n GLY 916 Ca 0.20 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.84 3hx6 n GLY 916 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hx6 s ALA 917 N -2.64 3.59 0.32 4.61 0.00 -1.26 -4.73 121.76 121.65 3hx6 s ALA 917 Ca 0.00 -0.04 -0.29 0.00 0.00 0.00 0.00 51.96 51.63 3hx6 s ALA 917 Cb 0.00 -2.59 -0.12 0.00 0.00 0.00 0.00 23.12 20.40 3hx6 s ALA 917 CO 0.00 0.35 1.38 0.00 0.00 0.00 0.00 175.76 177.49 3hx6 n ALA 918 N 2.06 1.56 -3.70 0.00 0.00 -1.26 0.58 120.51 119.75 3hx6 n ALA 918 Ca -0.10 0.37 -0.35 0.00 0.00 0.00 0.00 53.44 53.36 3hx6 n ALA 918 Cb 0.51 -2.31 -0.14 0.00 0.00 0.00 0.00 19.45 17.51 3hx6 n ALA 918 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3hx6 s GLN 919 N -1.45 2.68 0.53 0.00 -0.21 0.00 -4.77 119.66 116.45 3hx6 s GLN 919 Ca 0.59 -1.09 -0.21 0.00 0.02 0.00 0.00 55.36 54.66 3hx6 s GLN 919 Cb -0.56 -3.05 -0.06 0.00 1.00 0.00 0.00 33.01 30.34 3hx6 s GLN 919 CO 0.58 -0.48 1.19 0.00 -2.12 0.00 0.00 175.29 174.46 3hx6 n ALA 920 N 4.65 0.94 -4.06 6.09 0.00 -1.25 -3.37 120.51 123.51 3hx6 n ALA 920 Ca -0.15 0.12 -0.33 0.00 0.00 0.00 0.00 53.44 53.08 3hx6 n ALA 920 Cb 0.46 -2.24 -0.15 0.00 0.00 0.00 0.00 19.45 17.51 3hx6 n ALA 920 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3hx6 s ILE 921 N -1.34 2.19 -0.16 0.00 1.01 -1.03 0.05 121.20 121.92 3hx6 s ILE 921 Ca 0.71 -1.20 0.00 0.00 0.00 0.00 0.00 60.65 60.16 3hx6 s ILE 921 Cb -0.45 -2.07 -0.10 0.00 0.01 0.00 0.00 42.46 39.85 3hx6 s ILE 921 CO 0.50 0.30 -0.15 0.41 0.00 0.00 0.00 174.94 176.01 3hx6 n THR 922 N 4.56 0.91 -1.98 2.92 -1.04 -1.12 -3.98 114.28 114.55 3hx6 n THR 922 Ca -0.18 -0.34 -0.32 0.00 -2.04 0.00 0.00 64.05 61.17 3hx6 n THR 922 Cb 0.47 -1.11 0.01 0.00 -1.82 0.00 0.00 70.33 67.88 3hx6 n THR 922 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3hx6 s ALA 923 N -2.32 2.88 0.51 2.41 0.00 -1.26 -3.52 121.76 120.46 3hx6 s ALA 923 Ca -0.21 0.16 -0.20 0.00 0.00 0.00 0.00 51.96 51.71 3hx6 s ALA 923 Cb 0.06 -3.16 -0.07 0.00 0.00 0.00 0.00 23.12 19.95 3hx6 s ALA 923 CO 0.36 -0.74 1.07 0.00 0.00 0.00 0.00 175.76 176.45 3hx6 s ALA 924 N -2.79 2.81 0.96 0.00 0.00 -1.25 -4.68 121.76 116.80 3hx6 s ALA 924 Ca 0.59 0.68 -0.14 0.00 0.00 0.00 0.00 51.96 53.09 3hx6 s ALA 924 Cb -0.13 -3.29 0.17 0.00 0.00 0.00 0.00 23.12 19.87 3hx6 s ALA 924 CO 0.43 -0.48 1.18 -2.14 0.00 0.00 0.00 175.76 174.76 3hx6 s PRO 925 N -3.26 0.73 0.00 0.00 0.02 -1.26 -4.45 135.00 126.78 3hx6 s PRO 925 Ca 0.69 0.04 0.03 0.00 0.02 0.00 0.00 61.00 61.77 3hx6 s PRO 925 Cb -0.19 -1.81 -0.01 0.00 0.02 0.00 0.00 34.50 32.51 3hx6 s PRO 925 CO 0.23 -2.43 -0.08 -1.12 -0.33 0.00 0.00 177.00 173.27 3hx6 s SER 926 N -4.29 0.95 -0.07 2.53 0.01 0.53 -4.72 113.70 108.65 3hx6 s SER 926 Ca 0.67 -0.21 0.01 0.00 1.31 0.00 0.00 55.95 57.74 3hx6 s SER 926 Cb -0.11 -0.09 -0.03 0.00 0.21 0.00 0.00 66.02 66.01 3hx6 s SER 926 CO 0.53 0.06 -0.08 -0.76 0.41 0.00 0.00 173.24 173.40 3hx6 s LEU 927 N -0.40 3.09 -0.04 2.44 1.43 -1.26 -0.69 118.68 123.24 3hx6 s LEU 927 Ca 0.01 -0.06 -0.00 0.00 -1.03 0.00 0.00 54.13 53.05 3hx6 s LEU 927 Cb -0.04 -1.66 0.03 0.00 0.03 0.00 0.00 46.19 44.54 3hx6 s LEU 927 CO -0.00 0.36 0.01 -0.69 0.23 0.00 0.00 176.35 176.26 3hx6 s VAL 928 N -0.78 0.15 0.25 -1.59 1.01 -0.80 -4.94 120.40 113.70 3hx6 s VAL 928 Ca 0.12 0.16 -0.31 0.00 0.00 0.00 0.00 61.98 61.96 3hx6 s VAL 928 Cb -0.11 -0.29 -0.13 0.00 0.00 0.00 0.00 36.38 35.85 3hx6 s VAL 928 CO 0.01 0.17 1.42 -1.14 0.00 0.00 0.00 175.10 175.56 3hx6 n ARG 929 N 4.54 2.11 -2.01 2.72 0.63 -1.26 0.34 116.66 123.73 3hx6 n ARG 929 Ca -0.19 0.75 -0.38 0.00 -0.92 0.00 0.00 57.85 57.11 3hx6 n ARG 929 Cb 0.50 -2.42 0.01 0.00 0.45 0.00 0.00 32.46 31.01 3hx6 n ARG 929 CO 0.00 0.00 0.00 -1.58 -2.51 0.00 0.00 177.63 173.54 3hx6 s HIS 930 N -0.12 2.64 0.54 -0.14 5.65 -0.81 -4.70 115.29 118.37 3hx6 s HIS 930 Ca 0.67 1.42 0.31 0.00 0.25 0.00 0.00 55.06 57.71 3hx6 s HIS 930 Cb -0.63 -3.65 1.47 0.00 -1.18 0.00 0.00 32.58 28.59 3hx6 s HIS 930 CO 0.50 -2.24 1.90 -1.35 -0.65 0.00 0.00 174.74 172.90 3hx6 h PRO 931 N 2.11 0.00 0.00 2.88 0.11 -1.91 0.72 132.00 135.92 3hx6 h PRO 931 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3hx6 h PRO 931 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3hx6 h PRO 931 CO 0.60 0.00 0.00 2.41 -0.21 0.00 0.00 178.00 180.80 3hx6 n THR 932 N -4.21 0.20 -0.35 -1.15 -1.04 -1.26 -4.88 114.28 101.59 3hx6 n THR 932 Ca 0.17 0.02 0.00 0.00 -2.04 0.00 0.00 64.05 62.20 3hx6 n THR 932 Cb 0.90 -0.59 0.00 0.00 -1.82 0.00 0.00 70.33 68.82 3hx6 n THR 932 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 3hx6 n ARG 933 N -1.55 0.00 -3.35 -2.82 1.74 0.25 -4.97 116.66 105.96 3hx6 n ARG 933 Ca 0.06 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.74 3hx6 n ARG 933 Cb 0.32 -2.52 -0.09 0.00 -1.02 0.00 0.00 32.46 29.15 3hx6 n ARG 933 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 3hx6 s LYS 934 N -0.11 3.62 0.67 5.56 2.20 -1.26 -4.87 119.74 125.55 3hx6 s LYS 934 Ca 0.00 -0.30 0.00 0.00 -0.36 0.00 0.00 55.97 55.31 3hx6 s LYS 934 Cb 0.00 -3.79 0.00 0.00 -1.51 0.00 0.00 37.83 32.53 3hx6 s LYS 934 CO 0.00 -0.54 0.00 0.41 -0.36 0.00 0.00 175.35 174.86 3hx6 n GLY 935 N 4.88 -2.12 3.15 5.54 0.00 -1.26 -4.61 105.19 110.77 3hx6 n GLY 935 Ca -0.08 -1.45 -0.15 0.00 0.00 0.00 0.00 46.02 44.35 3hx6 n GLY 935 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hx6 s TYR 936 N -0.40 1.00 -0.32 1.61 1.51 -0.06 -1.91 117.35 118.77 3hx6 s TYR 936 Ca 0.00 -0.60 -0.18 0.00 -1.01 0.00 0.00 57.07 55.28 3hx6 s TYR 936 Cb 0.00 -0.56 -0.01 0.00 -0.11 0.00 0.00 41.96 41.28 3hx6 s TYR 936 CO 0.00 -0.02 0.51 0.42 -1.11 0.00 0.00 175.55 175.36 3hx6 s ILE 937 N -2.08 5.03 -0.48 2.71 1.01 0.15 -0.40 121.20 127.16 3hx6 s ILE 937 Ca 0.01 0.54 -0.20 0.00 0.00 0.00 0.00 60.65 61.00 3hx6 s ILE 937 Cb -0.05 -3.91 0.04 0.00 0.01 0.00 0.00 42.46 38.55 3hx6 s ILE 937 CO 0.00 -0.11 0.62 -0.69 0.00 0.00 0.00 174.94 174.77 3hx6 s VAL 938 N 2.37 4.86 -0.21 2.92 1.01 0.16 -1.90 120.40 129.61 3hx6 s VAL 938 Ca 0.20 -0.23 -0.12 0.00 0.00 0.00 0.00 61.98 61.82 3hx6 s VAL 938 Cb -0.15 -4.25 -0.05 0.00 0.00 0.00 0.00 36.38 31.93 3hx6 s VAL 938 CO 0.12 -0.70 0.23 -0.63 0.00 0.00 0.00 175.10 174.11 3hx6 s ILE 939 N 2.70 5.32 -0.04 2.22 1.01 0.13 -0.80 121.20 131.75 3hx6 s ILE 939 Ca 0.18 0.36 -0.10 0.00 0.00 0.00 0.00 60.65 61.09 3hx6 s ILE 939 Cb -0.17 -3.57 0.02 0.00 0.01 0.00 0.00 42.46 38.75 3hx6 s ILE 939 CO 0.15 0.35 0.22 0.72 0.00 0.00 0.00 174.94 176.38 3hx6 s PHE 940 N 0.91 -0.13 0.23 3.97 -0.71 -0.16 -0.35 117.98 121.74 3hx6 s PHE 940 Ca 0.12 0.26 0.07 0.00 -1.04 0.00 0.00 56.93 56.34 3hx6 s PHE 940 Cb -0.13 0.04 -0.04 0.00 -1.21 0.00 0.00 43.02 41.68 3hx6 s PHE 940 CO 0.04 -0.26 0.10 0.20 -1.34 0.00 0.00 175.22 173.96 3hx6 s GLY 941 N -0.81 1.58 0.05 1.99 0.00 -1.26 -0.26 107.32 108.60 3hx6 s GLY 941 Ca -0.09 -1.44 0.03 0.00 0.00 0.00 0.00 44.72 43.22 3hx6 s GLY 941 CO 0.02 -1.48 0.01 -1.59 0.00 0.00 0.00 173.10 170.07 3hx6 s THR 942 N -2.05 4.17 0.00 0.90 2.01 0.45 -4.43 115.64 116.68 3hx6 s THR 942 Ca 0.31 -0.78 0.00 0.00 0.31 0.00 0.00 61.69 61.53 3hx6 s THR 942 Cb -0.08 -2.93 0.00 0.00 0.01 0.00 0.00 72.50 69.50 3hx6 s THR 942 CO 0.22 0.23 0.00 0.61 -0.69 0.00 0.00 174.62 175.00 3hx6 n GLY 943 N 0.91 3.37 3.45 4.40 0.00 0.11 -1.11 105.19 116.32 3hx6 n GLY 943 Ca -0.12 -1.55 -0.16 0.00 0.00 0.00 0.00 46.02 44.19 3hx6 n GLY 943 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hx6 s LYS 944 N -2.25 0.89 -0.05 1.61 -2.85 -1.26 -2.79 119.74 113.04 3hx6 s LYS 944 Ca 0.00 0.27 0.14 0.00 -1.00 0.00 0.00 55.97 55.38 3hx6 s LYS 944 Cb 0.00 0.42 0.25 0.00 -2.06 0.00 0.00 37.83 36.44 3hx6 s LYS 944 CO 0.00 -0.24 1.12 0.98 0.10 0.00 0.00 175.35 177.31 3hx6 n TYR 945 N 1.39 -0.08 0.48 1.78 -0.00 -1.26 -4.89 117.16 114.58 3hx6 n TYR 945 Ca -0.19 -0.74 0.11 0.00 -0.00 0.00 0.00 57.90 57.08 3hx6 n TYR 945 Cb 0.56 0.27 -0.14 0.00 -0.00 0.00 0.00 39.34 40.04 3hx6 n TYR 945 CO 0.00 0.00 0.00 1.97 -0.00 0.00 0.00 176.86 178.83 3hx6 n PHE 946 N 0.02 0.02 -3.98 2.98 1.16 -1.26 -4.73 117.46 111.67 3hx6 n PHE 946 Ca -0.11 0.00 -0.31 0.00 -1.87 0.00 0.00 57.45 55.17 3hx6 n PHE 946 Cb 0.91 -0.27 -0.05 0.00 -1.61 0.00 0.00 39.48 38.45 3hx6 n PHE 946 CO 0.00 0.00 0.00 -1.21 -1.87 0.00 0.00 176.76 173.68 3hx6 s GLU 947 N -3.27 3.22 0.32 3.97 2.02 -1.26 -5.01 118.70 118.69 3hx6 s GLU 947 Ca -0.00 -0.51 0.06 0.00 0.02 0.00 0.00 54.97 54.54 3hx6 s GLU 947 Cb 0.15 -2.93 0.74 0.00 0.10 0.00 0.00 34.13 32.19 3hx6 s GLU 947 CO 0.89 0.61 1.82 -0.91 0.02 0.00 0.00 175.26 177.69 3hx6 h ASN 948 N 3.36 0.76 0.30 -0.19 4.21 -2.02 0.15 115.58 122.16 3hx6 h ASN 948 Ca -0.46 0.06 -0.02 0.00 1.21 0.00 0.00 56.30 57.09 3hx6 h ASN 948 Cb 1.17 -0.08 -0.00 0.00 -1.12 0.00 0.00 38.32 38.28 3hx6 h ASN 948 CO 0.70 0.34 -0.08 0.00 -1.29 0.00 0.00 177.43 177.10 3hx6 h ALA 949 N 1.60 1.29 0.00 -0.83 0.00 -1.97 -2.11 119.26 117.24 3hx6 h ALA 949 Ca 0.52 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.35 3hx6 h ALA 949 Cb 0.77 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.55 3hx6 h ALA 949 CO -0.29 0.10 0.00 -0.44 0.00 0.00 0.00 179.25 178.62 3hx6 h ASP 950 N 0.00 0.00 0.02 0.00 3.32 -1.03 -2.42 116.42 116.32 3hx6 h ASP 950 Ca -0.00 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 3hx6 h ASP 950 Cb 0.25 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.80 3hx6 h ASP 950 CO 0.01 0.00 -0.00 0.00 -1.72 0.00 0.00 179.24 177.53 3hx6 h ALA 951 N 2.08 1.31 -2.72 3.45 0.00 -1.47 -3.41 119.26 118.51 3hx6 h ALA 951 Ca 0.00 -0.00 -0.58 0.00 0.00 0.00 0.00 54.91 54.33 3hx6 h ALA 951 Cb 0.36 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.10 3hx6 h ALA 951 CO 0.00 0.01 -0.06 1.03 0.00 0.00 0.00 179.25 180.23 3hx6 s ARG 952 N -4.42 4.20 0.19 0.00 1.81 -0.91 -4.26 118.95 115.55 3hx6 s ARG 952 Ca -0.05 0.68 -0.30 0.00 -1.72 0.00 0.00 55.73 54.34 3hx6 s ARG 952 Cb 0.14 -3.28 -0.08 0.00 -0.45 0.00 0.00 34.95 31.28 3hx6 s ARG 952 CO 0.50 0.55 1.25 0.00 -0.68 0.00 0.00 175.30 176.92 3hx6 s ALA 953 N -0.76 3.48 -0.72 2.13 0.00 -1.26 -4.97 121.76 119.65 3hx6 s ALA 953 Ca 0.29 1.02 -0.16 0.00 0.00 0.00 0.00 51.96 53.11 3hx6 s ALA 953 Cb -0.19 -3.45 0.16 0.00 0.00 0.00 0.00 23.12 19.65 3hx6 s ALA 953 CO 0.17 -0.46 0.73 0.34 0.00 0.00 0.00 175.76 176.55 3hx6 s ASP 954 N 0.28 6.49 -0.02 0.00 2.15 -1.26 -4.88 116.67 119.43 3hx6 s ASP 954 Ca 0.55 -2.15 0.09 0.00 0.43 0.00 0.00 52.55 51.48 3hx6 s ASP 954 Cb -0.34 -2.25 0.31 0.00 -0.30 0.00 0.00 42.92 40.34 3hx6 s ASP 954 CO 0.37 -0.81 1.21 0.35 -0.17 0.00 0.00 175.17 176.12 3hx6 n THR 955 N 4.78 0.62 0.11 1.71 -2.24 -1.26 -3.76 114.28 114.23 3hx6 n THR 955 Ca 0.04 -0.49 0.02 0.00 -2.27 0.00 0.00 64.05 61.35 3hx6 n THR 955 Cb 0.45 0.09 -0.01 0.00 -2.10 0.00 0.00 70.33 68.76 3hx6 n THR 955 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3hx6 h SER 956 N 1.93 0.00 -5.34 3.42 4.64 -1.91 -3.45 113.55 112.85 3hx6 h SER 956 Ca 0.00 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.19 3hx6 h SER 956 Cb 0.60 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 62.57 3hx6 h SER 956 CO 0.05 0.52 -0.36 0.00 -0.87 0.00 0.00 176.83 176.17 3hx6 s ARG 957 N -2.95 1.23 -0.16 4.77 1.70 -1.26 -5.09 118.95 117.19 3hx6 s ARG 957 Ca 0.02 -1.31 -0.07 0.00 -0.47 0.00 0.00 55.73 53.90 3hx6 s ARG 957 Cb 0.08 0.37 -0.04 0.00 -0.57 0.00 0.00 34.95 34.78 3hx6 s ARG 957 CO 0.77 -0.45 0.10 0.00 -1.08 0.00 0.00 175.30 174.63 3hx6 s ALA 958 N -4.02 3.61 0.82 7.88 0.00 -1.26 -4.63 121.76 124.17 3hx6 s ALA 958 Ca 0.23 -0.70 -0.12 0.00 0.00 0.00 0.00 51.96 51.37 3hx6 s ALA 958 Cb 0.03 -1.96 0.09 0.00 0.00 0.00 0.00 23.12 21.29 3hx6 s ALA 958 CO 0.05 0.35 1.16 -0.65 0.00 0.00 0.00 175.76 176.67 3hx6 s GLN 959 N -0.18 1.86 0.06 0.00 -1.52 -1.25 -4.71 119.66 113.91 3hx6 s GLN 959 Ca 0.09 0.20 -0.05 0.00 -1.95 0.00 0.00 55.36 53.65 3hx6 s GLN 959 Cb -0.12 -1.93 -0.02 0.00 -0.22 0.00 0.00 33.01 30.72 3hx6 s GLN 959 CO 0.01 -1.69 0.08 0.99 -0.25 0.00 0.00 175.29 174.43 3hx6 s THR 960 N -3.48 0.17 -0.13 -0.19 2.01 -1.26 -0.78 115.64 111.98 3hx6 s THR 960 Ca 0.62 -1.44 0.01 0.00 0.31 0.00 0.00 61.69 61.19 3hx6 s THR 960 Cb -0.12 -1.35 -0.01 0.00 0.01 0.00 0.00 72.50 71.04 3hx6 s THR 960 CO 0.50 -0.79 -0.15 -0.22 -0.69 0.00 0.00 174.62 173.27 3hx6 s LEU 961 N -2.77 2.56 0.13 4.42 2.96 0.22 -0.41 118.68 125.78 3hx6 s LEU 961 Ca 0.04 -0.40 0.10 0.00 -0.22 0.00 0.00 54.13 53.66 3hx6 s LEU 961 Cb 0.05 -1.57 -0.04 0.00 0.50 0.00 0.00 46.19 45.13 3hx6 s LEU 961 CO -0.10 0.14 -0.25 -0.31 -1.32 0.00 0.00 176.35 174.52 3hx6 s TYR 962 N 0.47 2.14 -0.29 5.38 1.51 0.64 -0.61 117.35 126.58 3hx6 s TYR 962 Ca -0.11 -0.39 0.01 0.00 -1.01 0.00 0.00 57.07 55.57 3hx6 s TYR 962 Cb -0.16 -1.15 0.09 0.00 -0.11 0.00 0.00 41.96 40.62 3hx6 s TYR 962 CO 0.05 0.31 0.05 0.20 -1.11 0.00 0.00 175.55 175.04 3hx6 s GLY 963 N -2.06 1.30 -0.14 0.71 0.00 -0.13 -0.99 107.32 106.02 3hx6 s GLY 963 Ca 0.12 -1.73 -0.02 0.00 0.00 0.00 0.00 44.72 43.09 3hx6 s GLY 963 CO 0.06 1.28 -0.07 -0.42 0.00 0.00 0.00 173.10 173.94 3hx6 s ILE 964 N 1.41 3.59 -0.37 0.90 -1.09 0.02 -0.91 121.20 124.74 3hx6 s ILE 964 Ca 0.06 -0.47 -0.29 0.00 -2.23 0.00 0.00 60.65 57.71 3hx6 s ILE 964 Cb -0.18 -2.54 0.02 0.00 -1.58 0.00 0.00 42.46 38.18 3hx6 s ILE 964 CO -0.15 0.51 1.16 0.86 -1.23 0.00 0.00 174.94 176.10 3hx6 s TRP 965 N 0.24 2.90 -0.44 3.97 -0.00 0.48 0.38 118.94 126.48 3hx6 s TRP 965 Ca -0.05 0.94 -0.15 0.00 -0.00 0.00 0.00 56.10 56.84 3hx6 s TRP 965 Cb -0.14 -4.01 0.04 0.00 -0.00 0.00 0.00 33.47 29.36 3hx6 s TRP 965 CO 0.04 -1.20 0.34 0.34 -0.00 0.00 0.00 176.95 176.47 3hx6 s ASP 966 N 2.29 6.12 0.00 5.86 -1.08 0.47 -4.93 116.67 125.40 3hx6 s ASP 966 Ca 0.49 -1.10 0.21 0.00 -0.52 0.00 0.00 52.55 51.64 3hx6 s ASP 966 Cb -0.12 -2.17 0.71 0.00 -1.46 0.00 0.00 42.92 39.88 3hx6 s ASP 966 CO 0.23 -0.54 1.53 0.00 0.52 0.00 0.00 175.17 176.91 3hx6 n GLN 967 N 5.18 1.83 -3.07 4.34 6.02 -1.26 -0.89 117.38 129.53 3hx6 n GLN 967 Ca -0.12 -1.25 -0.27 0.00 -0.01 0.00 0.00 57.00 55.36 3hx6 n GLN 967 Cb 0.45 -1.41 -0.05 0.00 1.02 0.00 0.00 30.24 30.25 3hx6 n GLN 967 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 3hx6 n GLN 968 N 0.48 3.02 -0.58 -1.09 6.02 -1.26 -4.52 117.38 119.45 3hx6 n GLN 968 Ca 0.17 -4.79 0.03 0.00 -0.01 0.00 0.00 57.00 52.39 3hx6 n GLN 968 Cb 0.37 -2.23 0.22 0.00 1.02 0.00 0.00 30.24 29.61 3hx6 n GLN 968 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 3hx6 n THR 969 N 0.06 2.37 -2.10 5.09 -2.24 -1.26 -4.65 114.28 111.55 3hx6 n THR 969 Ca 0.31 -2.39 -0.22 0.00 -2.27 0.00 0.00 64.05 59.47 3hx6 n THR 969 Cb 0.40 -0.28 0.02 0.00 -2.10 0.00 0.00 70.33 68.37 3hx6 n THR 969 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 3hx6 n LYS 970 N -0.94 3.47 -0.98 -0.78 4.81 -1.26 -4.93 118.16 117.55 3hx6 n LYS 970 Ca 0.26 -4.14 0.00 0.00 -0.87 0.00 0.00 58.31 53.57 3hx6 n LYS 970 Cb 0.92 -2.23 0.00 0.00 0.02 0.00 0.00 35.03 33.75 3hx6 n LYS 970 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3hx6 n GLY 971 N -0.69 0.69 3.72 3.14 0.00 -1.26 -4.78 105.19 106.01 3hx6 n GLY 971 Ca 0.41 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.08 3hx6 n GLY 971 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hx6 s GLU 972 N -0.12 2.19 0.26 1.61 8.01 -1.26 -4.87 118.70 124.52 3hx6 s GLU 972 Ca 0.00 1.82 -0.02 0.00 0.01 0.00 0.00 54.97 56.78 3hx6 s GLU 972 Cb 0.00 -1.83 0.49 0.00 -4.31 0.00 0.00 34.13 28.48 3hx6 s GLU 972 CO 0.00 -1.81 1.78 0.00 0.01 0.00 0.00 175.26 175.24 3hx6 h ALA 973 N -0.15 1.26 -6.31 5.21 0.00 -1.95 -3.46 119.26 113.86 3hx6 h ALA 973 Ca -0.48 0.06 -0.45 0.00 0.00 0.00 0.00 54.91 54.04 3hx6 h ALA 973 Cb 1.30 -0.07 0.07 0.00 0.00 0.00 0.00 17.79 19.10 3hx6 h ALA 973 CO 0.50 -0.01 -0.95 0.00 0.00 0.00 0.00 179.25 178.79 3hx6 n ALA 974 N -2.40 -2.54 0.68 0.00 0.00 -1.26 -4.74 120.51 110.25 3hx6 n ALA 974 Ca 0.16 -0.28 0.08 0.00 0.00 0.00 0.00 53.44 53.41 3hx6 n ALA 974 Cb 0.38 -3.91 0.40 0.00 0.00 0.00 0.00 19.45 16.31 3hx6 n ALA 974 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hx6 n GLY 975 N -1.73 -1.01 3.67 0.00 0.00 -1.26 -1.85 105.19 103.00 3hx6 n GLY 975 Ca -0.10 -0.07 -0.10 0.00 0.00 0.00 0.00 46.02 45.75 3hx6 n GLY 975 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hx6 s SER 976 N -2.84 0.19 -0.04 1.61 1.04 -1.26 -2.28 113.70 110.12 3hx6 s SER 976 Ca 0.11 -1.10 -0.20 0.00 0.48 0.00 0.00 55.95 55.25 3hx6 s SER 976 Cb 0.11 0.71 0.04 0.00 0.10 0.00 0.00 66.02 66.98 3hx6 s SER 976 CO 0.30 -1.38 0.43 0.28 0.98 0.00 0.00 173.24 173.85 3hx6 s THR 977 N -3.24 0.04 0.24 2.02 -1.32 -1.26 -4.72 115.64 107.40 3hx6 s THR 977 Ca 0.21 -0.29 -0.31 0.00 -1.21 0.00 0.00 61.69 60.09 3hx6 s THR 977 Cb -0.03 -0.73 -0.13 0.00 -1.51 0.00 0.00 72.50 70.10 3hx6 s THR 977 CO 0.13 -0.16 1.49 -2.65 -2.21 0.00 0.00 174.62 171.21 3hx6 n PRO 978 N 1.31 2.23 -2.74 7.08 -0.02 -1.26 -4.94 135.00 136.65 3hx6 n PRO 978 Ca -0.20 0.80 -0.43 0.00 -2.02 0.00 0.00 63.50 61.65 3hx6 n PRO 978 Cb 0.56 -2.50 -0.03 0.00 -0.02 0.00 0.00 33.50 31.51 3hx6 n PRO 978 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 3hx6 s ARG 979 N -0.19 4.19 0.25 -0.52 3.52 -1.26 -4.92 118.95 120.01 3hx6 s ARG 979 Ca 0.69 1.15 0.12 0.00 -0.13 0.00 0.00 55.73 57.56 3hx6 s ARG 979 Cb -0.61 -3.66 -0.05 0.00 -1.56 0.00 0.00 34.95 29.07 3hx6 s ARG 979 CO 0.47 -0.64 -0.20 -0.51 -0.81 0.00 0.00 175.30 173.62 3hx6 s LEU 980 N 3.14 2.59 0.28 -0.88 1.02 -1.26 -5.08 118.68 118.49 3hx6 s LEU 980 Ca 0.41 -0.94 -0.02 0.00 0.02 0.00 0.00 54.13 53.61 3hx6 s LEU 980 Cb -0.15 -1.18 -0.02 0.00 0.02 0.00 0.00 46.19 44.86 3hx6 s LEU 980 CO 0.08 0.07 0.34 0.42 0.02 0.00 0.00 176.35 177.27 3hx6 s THR 981 N -2.19 0.00 0.53 5.49 -4.23 -1.26 -4.67 115.64 109.32 3hx6 s THR 981 Ca 0.27 -1.77 0.26 0.00 -1.18 0.00 0.00 61.69 59.27 3hx6 s THR 981 Cb -0.06 -2.50 0.40 0.00 1.34 0.00 0.00 72.50 71.68 3hx6 s THR 981 CO 0.14 0.00 1.99 0.03 -0.54 0.00 0.00 174.62 176.23 3hx6 h ARG 982 N 2.28 0.00 -0.08 3.99 3.08 -1.94 -0.87 114.38 120.85 3hx6 h ARG 982 Ca -0.29 0.00 0.02 0.00 0.07 0.00 0.00 59.98 59.78 3hx6 h ARG 982 Cb 1.24 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.29 3hx6 h ARG 982 CO 0.42 0.00 0.07 0.78 -1.07 0.00 0.00 179.97 180.17 3hx6 h GLY 983 N 0.00 0.00 -0.78 0.04 0.00 -2.03 0.09 103.07 100.39 3hx6 h GLY 983 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.59 3hx6 h GLY 983 CO -0.00 0.00 -0.07 0.70 0.00 0.00 0.00 176.54 177.17 3hx6 n ASN 984 N -4.05 1.86 -4.68 0.19 4.13 -0.33 -4.93 115.26 107.45 3hx6 n ASN 984 Ca -0.01 -1.54 -0.26 0.00 1.68 0.00 0.00 54.58 54.45 3hx6 n ASN 984 Cb 0.18 0.05 -0.07 0.00 -1.54 0.00 0.00 39.78 38.40 3hx6 n ASN 984 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 3hx6 s LEU 985 N -2.11 3.34 -0.18 3.41 1.43 0.02 -1.12 118.68 123.48 3hx6 s LEU 985 Ca 0.32 -0.41 -0.20 0.00 -1.03 0.00 0.00 54.13 52.80 3hx6 s LEU 985 Cb 0.20 -1.97 -0.03 0.00 0.03 0.00 0.00 46.19 44.42 3hx6 s LEU 985 CO 0.37 0.07 0.60 -1.58 0.23 0.00 0.00 176.35 176.04 3hx6 s GLN 986 N -3.11 4.24 0.43 1.70 2.00 -0.30 -4.90 119.66 119.72 3hx6 s GLN 986 Ca 0.28 0.59 -0.22 0.00 -2.00 0.00 0.00 55.36 54.02 3hx6 s GLN 986 Cb -0.09 -3.55 -0.10 0.00 0.80 0.00 0.00 33.01 30.07 3hx6 s GLN 986 CO 0.19 -0.16 0.99 -1.14 -0.50 0.00 0.00 175.29 174.66 3hx6 s GLN 987 N 1.66 4.14 0.09 1.67 0.74 -1.26 -1.93 119.66 124.78 3hx6 s GLN 987 Ca 0.28 1.26 0.04 0.00 0.05 0.00 0.00 55.36 56.99 3hx6 s GLN 987 Cb -0.16 -2.27 -0.03 0.00 1.10 0.00 0.00 33.01 31.64 3hx6 s GLN 987 CO 0.11 -0.12 -0.11 -0.65 -0.55 0.00 0.00 175.29 173.97 3hx6 s GLN 988 N -2.98 0.83 0.04 1.67 -1.52 -0.26 -4.76 119.66 112.69 3hx6 s GLN 988 Ca 0.62 -1.12 -0.03 0.00 -1.95 0.00 0.00 55.36 52.88 3hx6 s GLN 988 Cb -0.14 -0.57 -0.02 0.00 -0.22 0.00 0.00 33.01 32.06 3hx6 s GLN 988 CO 0.18 0.09 0.03 0.95 -0.25 0.00 0.00 175.29 176.29 3hx6 s THR 989 N -2.24 0.17 -0.50 -0.19 -4.23 -1.26 -4.21 115.64 103.18 3hx6 s THR 989 Ca 0.04 -1.37 -0.19 0.00 -1.18 0.00 0.00 61.69 58.99 3hx6 s THR 989 Cb -0.04 -1.08 0.06 0.00 1.34 0.00 0.00 72.50 72.78 3hx6 s THR 989 CO 0.00 -0.75 0.59 -0.76 -0.54 0.00 0.00 174.62 173.16 3hx6 s LEU 990 N -2.40 5.02 0.00 4.79 1.43 -1.25 -0.18 118.68 126.09 3hx6 s LEU 990 Ca -0.01 -0.93 0.25 0.00 -1.03 0.00 0.00 54.13 52.41 3hx6 s LEU 990 Cb 0.02 -2.42 0.51 0.00 0.03 0.00 0.00 46.19 44.32 3hx6 s LEU 990 CO -0.07 -0.85 1.41 0.47 0.23 0.00 0.00 176.35 177.55 3hx6 n ASP 991 N 6.04 0.61 -3.63 2.29 8.00 -0.32 -1.79 116.55 127.75 3hx6 n ASP 991 Ca -0.07 -0.39 -0.11 0.00 0.71 0.00 0.00 54.79 54.93 3hx6 n ASP 991 Cb 0.45 0.27 -0.07 0.00 -0.02 0.00 0.00 41.12 41.75 3hx6 n ASP 991 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3hx6 s LEU 992 N -2.92 -0.57 -0.05 0.64 1.98 -1.17 -4.78 118.68 111.80 3hx6 s LEU 992 Ca 0.13 1.09 0.02 0.00 -2.89 0.00 0.00 54.13 52.48 3hx6 s LEU 992 Cb 0.18 2.11 0.01 0.00 0.66 0.00 0.00 46.19 49.15 3hx6 s LEU 992 CO 0.68 -0.19 -0.12 -1.58 -1.89 0.00 0.00 176.35 173.25 3hx6 s GLN 993 N 0.27 1.53 0.13 1.98 0.74 -1.26 -0.11 119.66 122.93 3hx6 s GLN 993 Ca 0.02 -0.40 -0.19 0.00 0.05 0.00 0.00 55.36 54.84 3hx6 s GLN 993 Cb -0.05 -1.30 0.05 0.00 1.10 0.00 0.00 33.01 32.81 3hx6 s GLN 993 CO -0.03 0.06 0.49 0.00 -0.55 0.00 0.00 175.29 175.25 3hx6 s ALA 994 N 0.53 -1.22 -0.07 1.58 0.00 -0.14 -4.98 121.76 117.47 3hx6 s ALA 994 Ca -0.11 0.23 -0.13 0.00 0.00 0.00 0.00 51.96 51.95 3hx6 s ALA 994 Cb -0.14 0.71 -0.05 0.00 0.00 0.00 0.00 23.12 23.64 3hx6 s ALA 994 CO 0.03 -0.66 0.32 -0.51 0.00 0.00 0.00 175.76 174.93 3hx6 s ASP 995 N -2.66 6.62 0.31 0.00 1.01 -1.26 0.30 116.67 120.99 3hx6 s ASP 995 Ca 0.01 0.74 -0.08 0.00 0.71 0.00 0.00 52.55 53.93 3hx6 s ASP 995 Cb 0.01 -2.19 0.01 0.00 1.01 0.00 0.00 42.92 41.75 3hx6 s ASP 995 CO -0.11 0.30 0.51 -0.55 0.21 0.00 0.00 175.17 175.52 3hx6 s SER 996 N -0.72 0.41 -0.11 0.27 0.15 0.33 -4.96 113.70 109.07 3hx6 s SER 996 Ca 0.20 -1.24 0.01 0.00 0.70 0.00 0.00 55.95 55.63 3hx6 s SER 996 Cb -0.15 0.65 0.02 0.00 -1.71 0.00 0.00 66.02 64.83 3hx6 s SER 996 CO 0.09 -1.28 -0.14 -0.89 1.20 0.00 0.00 173.24 172.23 3hx6 s THR 997 N -3.34 1.39 -0.31 6.45 2.01 -1.26 -0.63 115.64 119.95 3hx6 s THR 997 Ca 0.26 -0.57 -0.07 0.00 0.31 0.00 0.00 61.69 61.63 3hx6 s THR 997 Cb -0.01 -1.29 0.02 0.00 0.01 0.00 0.00 72.50 71.22 3hx6 s THR 997 CO 0.15 0.42 0.08 -0.36 -0.69 0.00 0.00 174.62 174.22 3hx6 s PHE 998 N 1.13 3.18 0.00 4.92 0.08 0.19 -4.90 117.98 122.58 3hx6 s PHE 998 Ca -0.04 -1.13 0.00 0.00 0.12 0.00 0.00 56.93 55.88 3hx6 s PHE 998 Cb -0.14 -2.26 0.00 0.00 -0.57 0.00 0.00 43.02 40.05 3hx6 s PHE 998 CO -0.03 -0.63 0.00 0.00 -0.10 0.00 0.00 175.22 174.46 3hx6 n ALA 999 N 4.84 0.00 -0.49 5.36 0.00 -1.26 -0.77 120.51 128.20 3hx6 n ALA 999 Ca -0.14 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.35 3hx6 n ALA 999 Cb 0.47 0.00 0.12 0.00 0.00 0.00 0.00 19.45 20.04 3hx6 n ALA 999 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3hx6 n SER 1000N 10.05 2.70 -4.45 0.00 3.41 -1.26 -4.97 113.62 119.09 3hx6 n SER 1000Ca 0.00 -2.45 -0.37 0.00 -0.26 0.00 0.00 58.87 55.80 3hx6 n SER 1000Cb 0.00 -0.27 -0.12 0.00 -0.26 0.00 0.00 64.21 63.56 3hx6 n SER 1000CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3hx6 s THR 1001N -1.79 4.36 0.16 6.66 2.01 0.05 -5.08 115.64 122.01 3hx6 s THR 1001Ca 0.22 -0.18 -0.30 0.00 0.31 0.00 0.00 61.69 61.74 3hx6 s THR 1001Cb 0.16 -3.05 -0.07 0.00 0.01 0.00 0.00 72.50 69.55 3hx6 s THR 1001CO 0.07 0.32 0.95 0.00 -0.69 0.00 0.00 174.62 175.27 3hx6 s ALA 1002N 1.62 3.28 -0.11 7.40 0.00 -1.26 -0.64 121.76 132.05 3hx6 s ALA 1002Ca 0.06 0.59 -0.19 0.00 0.00 0.00 0.00 51.96 52.42 3hx6 s ALA 1002Cb -0.15 -3.25 0.05 0.00 0.00 0.00 0.00 23.12 19.76 3hx6 s ALA 1002CO 0.04 0.06 0.48 1.03 0.00 0.00 0.00 175.76 177.37 3hx6 s ARG 1003N -0.41 0.70 -0.24 0.00 0.52 0.20 -4.96 118.95 114.76 3hx6 s ARG 1003Ca 0.45 0.36 -0.11 0.00 -0.52 0.00 0.00 55.73 55.91 3hx6 s ARG 1003Cb -0.24 0.33 -0.05 0.00 0.52 0.00 0.00 34.95 35.51 3hx6 s ARG 1003CO 0.31 -0.15 0.19 -0.08 0.02 0.00 0.00 175.30 175.58 3hx6 s THR 1004N -0.47 5.34 0.48 0.02 -1.32 -1.26 -0.51 115.64 117.91 3hx6 s THR 1004Ca -0.06 0.23 0.02 0.00 -1.21 0.00 0.00 61.69 60.67 3hx6 s THR 1004Cb -0.03 -3.53 -0.02 0.00 -1.51 0.00 0.00 72.50 67.41 3hx6 s THR 1004CO 0.04 0.32 0.04 0.27 -2.21 0.00 0.00 174.62 173.07 3hx6 s ILE 1005N 1.19 1.06 0.01 5.08 -5.25 0.15 -1.92 121.20 121.52 3hx6 s ILE 1005Ca 0.09 -2.00 0.01 0.00 -0.99 0.00 0.00 60.65 57.76 3hx6 s ILE 1005Cb -0.14 -2.26 -0.01 0.00 2.95 0.00 0.00 42.46 43.00 3hx6 s ILE 1005CO 0.06 0.00 -0.04 -0.13 -1.79 0.00 0.00 174.94 173.04 3hx6 s ARG 1006N -3.82 0.28 -0.11 0.37 0.52 -0.39 -0.97 118.95 114.83 3hx6 s ARG 1006Ca 0.12 -0.29 -0.01 0.00 -0.52 0.00 0.00 55.73 55.03 3hx6 s ARG 1006Cb 0.02 -0.17 -0.03 0.00 0.52 0.00 0.00 34.95 35.30 3hx6 s ARG 1006CO 0.07 0.04 -0.07 0.42 0.02 0.00 0.00 175.30 175.77 3hx6 s ILE 1007N -0.51 3.60 0.22 1.52 -1.09 0.84 -2.39 121.20 123.40 3hx6 s ILE 1007Ca -0.04 -0.49 0.07 0.00 -2.23 0.00 0.00 60.65 57.97 3hx6 s ILE 1007Cb -0.04 -2.52 -0.04 0.00 -1.58 0.00 0.00 42.46 38.29 3hx6 s ILE 1007CO -0.00 0.55 0.10 0.00 -1.23 0.00 0.00 174.94 174.36 3hx6 s ALA 1008N -0.16 3.42 1.03 9.38 0.00 -1.26 -1.17 121.76 132.99 3hx6 s ALA 1008Ca 0.02 -1.41 -0.12 0.00 0.00 0.00 0.00 51.96 50.44 3hx6 s ALA 1008Cb -0.13 -1.15 0.21 0.00 0.00 0.00 0.00 23.12 22.05 3hx6 s ALA 1008CO 0.03 0.35 1.08 -1.54 0.00 0.00 0.00 175.76 175.68 3hx6 s SER 1009N -3.47 2.33 -0.38 0.00 1.04 0.75 -4.35 113.70 109.62 3hx6 s SER 1009Ca 0.31 1.24 0.13 0.00 0.48 0.00 0.00 55.95 58.11 3hx6 s SER 1009Cb -0.08 -1.93 0.40 0.00 0.10 0.00 0.00 66.02 64.51 3hx6 s SER 1009CO 0.22 -3.32 0.89 1.67 0.98 0.00 0.00 173.24 173.68 3hx6 n GLN 1010N -4.31 1.57 -2.61 4.02 7.27 -1.26 -0.49 117.38 121.57 3hx6 n GLN 1010Ca 0.05 -3.62 -0.42 0.00 0.07 0.00 0.00 57.00 53.08 3hx6 n GLN 1010Cb 0.57 -1.63 -0.03 0.00 2.41 0.00 0.00 30.24 31.55 3hx6 n GLN 1010CO 0.00 0.00 0.00 -0.80 0.07 0.00 0.00 177.06 176.33 3hx6 s ASN 1011N -2.96 7.28 0.72 1.69 0.02 -1.26 -4.96 114.94 115.47 3hx6 s ASN 1011Ca 0.36 1.80 -0.11 0.00 -1.02 0.00 0.00 52.86 53.89 3hx6 s ASN 1011Cb 0.39 -2.58 0.02 0.00 0.02 0.00 0.00 41.25 39.11 3hx6 s ASN 1011CO -0.05 -0.31 1.08 -2.16 0.02 0.00 0.00 177.10 175.68 3hx6 s PRO 1012N 0.87 2.67 -0.19 -0.60 0.04 -1.26 -4.84 135.00 131.69 3hx6 s PRO 1012Ca 0.54 1.11 -0.03 0.00 0.04 0.00 0.00 61.00 62.65 3hx6 s PRO 1012Cb -0.24 -1.95 -0.01 0.00 0.04 0.00 0.00 34.50 32.33 3hx6 s PRO 1012CO 0.29 -1.32 -0.05 0.08 0.04 0.00 0.00 177.00 176.03 3hx6 s VAL 1013N -2.87 3.45 -0.59 -0.36 1.01 -1.26 -4.98 120.40 114.80 3hx6 s VAL 1013Ca 0.61 -0.49 -0.16 0.00 0.00 0.00 0.00 61.98 61.94 3hx6 s VAL 1013Cb -0.16 -2.54 0.15 0.00 0.00 0.00 0.00 36.38 33.83 3hx6 s VAL 1013CO 0.53 0.45 0.55 0.21 0.00 0.00 0.00 175.10 176.84 3hx6 s ASN 1014N 1.05 6.30 -0.03 3.32 3.04 -1.26 -4.94 114.94 122.41 3hx6 s ASN 1014Ca 0.01 -1.96 -0.22 0.00 0.04 0.00 0.00 52.86 50.73 3hx6 s ASN 1014Cb -0.15 -2.21 -0.25 0.00 -1.54 0.00 0.00 41.25 37.11 3hx6 s ASN 1014CO -0.00 -0.81 1.03 -0.50 -3.04 0.00 0.00 177.10 173.78 3hx6 h TRP 1015N 8.69 0.43 -2.91 0.43 4.06 -1.96 -1.01 115.95 123.68 3hx6 h TRP 1015Ca -0.22 -0.25 -0.44 0.00 2.06 0.00 0.00 58.89 60.04 3hx6 h TRP 1015Cb 1.09 -0.04 -0.14 0.00 -1.00 0.00 0.00 29.16 29.06 3hx6 h TRP 1015CO 0.79 1.08 -0.72 -0.51 -3.56 0.00 0.00 178.44 175.52 3hx6 s LEU 1016N -8.34 2.53 0.75 -4.49 1.02 -1.26 0.78 118.68 109.67 3hx6 s LEU 1016Ca -0.15 -1.05 -0.03 0.00 0.02 0.00 0.00 54.13 52.92 3hx6 s LEU 1016Cb 0.02 -0.63 0.13 0.00 0.02 0.00 0.00 46.19 45.74 3hx6 s LEU 1016CO 0.78 -0.22 1.04 0.20 0.02 0.00 0.00 176.35 178.18 3hx6 s ASN 1017N -3.32 4.21 0.37 2.29 -0.87 0.15 -4.79 114.94 112.98 3hx6 s ASN 1017Ca 0.23 -0.23 0.04 0.00 -1.57 0.00 0.00 52.86 51.34 3hx6 s ASN 1017Cb 0.00 -0.13 0.71 0.00 -0.02 0.00 0.00 41.25 41.81 3hx6 s ASN 1017CO 0.07 -1.96 2.00 0.78 -2.57 0.00 0.00 177.10 175.41 3hx6 h ASN 1018N -0.68 0.59 -0.46 -1.22 2.35 -2.02 -2.33 115.58 111.81 3hx6 h ASN 1018Ca -0.38 -0.03 -0.06 0.00 -0.55 0.00 0.00 56.30 55.27 3hx6 h ASN 1018Cb 1.26 -0.15 -0.04 0.00 0.05 0.00 0.00 38.32 39.45 3hx6 h ASN 1018CO 0.41 0.47 0.08 -0.90 -1.65 0.00 0.00 177.43 175.84 3hx6 n ASP 1019N -4.42 4.23 0.00 5.81 5.75 -1.26 -4.90 116.55 121.76 3hx6 n ASP 1019Ca 0.04 -2.74 0.00 0.00 -0.01 0.00 0.00 54.79 52.08 3hx6 n ASP 1019Cb 0.09 -0.65 0.00 0.00 -1.03 0.00 0.00 41.12 39.53 3hx6 n ASP 1019CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3hx6 n GLY 1020N 0.26 1.32 3.77 6.12 0.00 -0.88 -5.02 105.19 110.76 3hx6 n GLY 1020Ca 0.23 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.85 3hx6 n GLY 1020CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3hx6 s SER 1021N -3.17 6.72 -0.07 1.61 0.15 -1.26 -4.65 113.70 113.04 3hx6 s SER 1021Ca 0.00 2.60 -0.30 0.00 0.70 0.00 0.00 55.95 58.95 3hx6 s SER 1021Cb 0.00 -2.64 -0.03 0.00 -1.71 0.00 0.00 66.02 61.64 3hx6 s SER 1021CO 0.00 -0.56 1.24 -0.89 1.20 0.00 0.00 173.24 174.23 3hx6 s THR 1022N -1.19 4.19 0.00 6.45 2.01 -1.26 0.34 115.64 126.18 3hx6 s THR 1022Ca 0.51 1.51 0.00 0.00 0.31 0.00 0.00 61.69 64.02 3hx6 s THR 1022Cb -0.38 -3.97 0.00 0.00 0.01 0.00 0.00 72.50 68.16 3hx6 s THR 1022CO 0.49 -0.02 0.00 0.29 -0.69 0.00 0.00 174.62 174.69 3hx6 n LYS 1023N 5.45 0.00 -3.22 4.92 5.02 0.23 -4.90 118.16 125.66 3hx6 n LYS 1023Ca 0.12 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 56.02 3hx6 n LYS 1023Cb 0.46 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.41 3hx6 n LYS 1023CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 3hx6 s GLN 1024N 0.14 4.28 -0.15 1.97 -0.21 -0.38 -4.96 119.66 120.34 3hx6 s GLN 1024Ca 0.00 0.78 0.18 0.00 0.02 0.00 0.00 55.36 56.33 3hx6 s GLN 1024Cb 0.00 -3.28 0.76 0.00 1.00 0.00 0.00 33.01 31.49 3hx6 s GLN 1024CO 0.00 0.53 1.68 0.43 -2.12 0.00 0.00 175.29 175.81 3hx6 n SER 1025N 2.08 5.09 0.00 5.90 7.64 -0.27 -4.36 113.62 129.69 3hx6 n SER 1025Ca -0.09 -2.57 0.00 0.00 1.01 0.00 0.00 58.87 57.22 3hx6 n SER 1025Cb 0.51 -0.62 0.00 0.00 -1.01 0.00 0.00 64.21 63.09 3hx6 n SER 1025CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3hx6 n GLY 1026N 1.04 -0.10 3.63 0.23 0.00 -1.26 -0.38 105.19 108.35 3hx6 n GLY 1026Ca 0.27 -1.07 -0.09 0.00 0.00 0.00 0.00 46.02 45.12 3hx6 n GLY 1026CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3hx6 s TRP 1027N -3.88 0.31 0.02 1.61 1.48 -0.09 -1.15 118.94 117.24 3hx6 s TRP 1027Ca 0.00 -0.69 -0.19 0.00 -1.06 0.00 0.00 56.10 54.16 3hx6 s TRP 1027Cb 0.00 0.28 0.04 0.00 -1.16 0.00 0.00 33.47 32.62 3hx6 s TRP 1027CO 0.00 -1.06 0.43 1.52 -4.06 0.00 0.00 176.95 173.78 3hx6 s TYR 1028N -3.90 -0.30 -0.10 1.66 1.13 -0.81 -0.95 117.35 114.07 3hx6 s TYR 1028Ca 0.21 0.34 -0.03 0.00 -1.41 0.00 0.00 57.07 56.18 3hx6 s TYR 1028Cb -0.02 0.22 0.05 0.00 -1.10 0.00 0.00 41.96 41.11 3hx6 s TYR 1028CO 0.09 -0.55 0.11 -1.17 -2.51 0.00 0.00 175.55 171.53 3hx6 s LEU 1029N -1.79 0.12 0.00 -3.49 2.96 0.22 -1.10 118.68 115.60 3hx6 s LEU 1029Ca -0.07 -0.08 -0.29 0.00 -0.22 0.00 0.00 54.13 53.46 3hx6 s LEU 1029Cb -0.02 -0.02 -0.03 0.00 0.50 0.00 0.00 46.19 46.62 3hx6 s LEU 1029CO 0.00 -0.28 0.94 -1.81 -1.32 0.00 0.00 176.35 173.88 3hx6 s ASP 1030N 2.20 7.33 -1.19 3.68 1.01 -1.26 -0.61 116.67 127.83 3hx6 s ASP 1030Ca 0.04 1.61 -0.22 0.00 0.71 0.00 0.00 52.55 54.69 3hx6 s ASP 1030Cb -0.13 -2.55 -0.05 0.00 1.01 0.00 0.00 42.92 41.20 3hx6 s ASP 1030CO -0.06 -0.22 1.88 -0.36 0.21 0.00 0.00 175.17 176.62 3hx6 s PHE 1031N 0.86 2.15 -0.19 4.23 0.08 0.04 -4.67 117.98 120.48 3hx6 s PHE 1031Ca 0.49 -0.05 -0.27 0.00 0.12 0.00 0.00 56.93 57.22 3hx6 s PHE 1031Cb -0.21 -4.20 0.09 0.00 -0.57 0.00 0.00 43.02 38.13 3hx6 s PHE 1031CO 0.27 -1.39 0.81 0.00 -0.10 0.00 0.00 175.22 174.81 3hx6 s MET 1032N 5.93 0.81 -0.31 0.44 0.23 -1.26 -4.42 119.30 120.72 3hx6 s MET 1032Ca 0.65 0.60 -0.11 0.00 -1.03 0.00 0.00 55.69 55.79 3hx6 s MET 1032Cb 0.00 0.39 -0.02 0.00 -1.53 0.00 0.00 34.83 33.67 3hx6 s MET 1032CO 0.11 -0.17 0.18 0.54 -2.03 0.00 0.00 175.02 173.65 3hx6 s VAL 1033N -0.30 4.93 -1.50 5.16 0.11 -1.25 -3.93 120.40 123.63 3hx6 s VAL 1033Ca -0.03 -0.21 -0.12 0.00 -2.93 0.00 0.00 61.98 58.69 3hx6 s VAL 1033Cb -0.03 -3.47 0.07 0.00 -1.53 0.00 0.00 36.38 31.42 3hx6 s VAL 1033CO 0.02 0.11 0.96 0.59 -3.33 0.00 0.00 175.10 173.45 3hx6 n ASN 1034N 5.03 -4.38 0.00 3.54 5.03 -0.74 -1.55 115.26 122.18 3hx6 n ASN 1034Ca -0.14 -0.77 0.00 0.00 0.87 0.00 0.00 54.58 54.54 3hx6 n ASN 1034Cb 0.50 -3.96 0.00 0.00 -1.02 0.00 0.00 39.78 35.30 3hx6 n ASN 1034CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3hx6 n GLY 1035N -1.70 0.41 3.66 7.41 0.00 -1.26 -4.98 105.19 108.73 3hx6 n GLY 1035Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 3hx6 n GLY 1035CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hx6 s THR 1036N -2.12 4.70 -0.32 2.61 -4.23 -0.60 -4.99 115.64 110.68 3hx6 s THR 1036Ca 0.00 1.94 -0.23 0.00 -1.18 0.00 0.00 61.69 62.21 3hx6 s THR 1036Cb 0.00 -4.28 0.00 0.00 1.34 0.00 0.00 72.50 69.56 3hx6 s THR 1036CO 0.00 -0.18 0.79 -0.76 -0.54 0.00 0.00 174.62 173.93 3hx6 s LEU 1037N 3.17 4.09 0.00 4.79 1.43 -1.26 -3.78 118.68 127.12 3hx6 s LEU 1037Ca 0.43 0.58 0.05 0.00 -1.03 0.00 0.00 54.13 54.16 3hx6 s LEU 1037Cb -0.15 -3.07 -0.01 0.00 0.03 0.00 0.00 46.19 43.00 3hx6 s LEU 1037CO 0.07 -0.65 0.43 0.29 0.23 0.00 0.00 176.35 176.72 3hx6 n LYS 1038N 6.28 2.75 -0.68 1.70 4.76 -1.26 -4.77 118.16 126.93 3hx6 n LYS 1038Ca 0.04 -0.39 0.00 0.00 -2.87 0.00 0.00 58.31 55.08 3hx6 n LYS 1038Cb 0.48 -0.91 0.00 0.00 -1.84 0.00 0.00 35.03 32.76 3hx6 n LYS 1038CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3hx6 n GLY 1039N 0.75 0.68 3.73 0.72 0.00 -1.25 -4.64 105.19 105.19 3hx6 n GLY 1039Ca 0.02 -0.64 -0.42 0.00 0.00 0.00 0.00 46.02 44.98 3hx6 n GLY 1039CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3hx6 s GLU 1040N -1.43 4.26 0.10 1.61 2.12 -1.26 -4.52 118.70 119.58 3hx6 s GLU 1040Ca 0.00 2.30 -0.11 0.00 0.36 0.00 0.00 54.97 57.52 3hx6 s GLU 1040Cb 0.00 -3.13 0.01 0.00 0.26 0.00 0.00 34.13 31.26 3hx6 s GLU 1040CO 0.00 -0.47 0.25 0.00 -0.54 0.00 0.00 175.26 174.50 3hx6 s MET 1041N 0.18 0.90 -0.26 4.30 0.23 -0.65 -3.94 119.30 120.06 3hx6 s MET 1041Ca 0.63 -0.87 -0.09 0.00 -1.03 0.00 0.00 55.69 54.32 3hx6 s MET 1041Cb -0.42 0.37 -0.04 0.00 -1.53 0.00 0.00 34.83 33.22 3hx6 s MET 1041CO 0.39 -0.30 0.12 -1.17 -2.03 0.00 0.00 175.02 172.03 3hx6 s LEU 1042N -2.80 3.74 0.00 0.18 2.96 -0.27 -0.68 118.68 121.81 3hx6 s LEU 1042Ca 0.04 -0.09 0.00 0.00 -0.22 0.00 0.00 54.13 53.86 3hx6 s LEU 1042Cb 0.04 -2.02 0.00 0.00 0.50 0.00 0.00 46.19 44.71 3hx6 s LEU 1042CO -0.11 -0.02 0.20 2.30 -1.32 0.00 0.00 176.35 177.40 3hx6 n ILE 1043N 4.85 0.00 -4.33 6.68 -0.00 -1.26 -3.70 119.36 121.60 3hx6 n ILE 1043Ca -0.15 -0.27 -0.33 0.00 -0.00 0.00 0.00 62.75 62.00 3hx6 n ILE 1043Cb 0.52 1.34 -0.09 0.00 -0.00 0.00 0.00 39.64 41.40 3hx6 n ILE 1043CO 0.00 0.00 0.00 -0.70 -0.00 0.00 0.00 176.55 175.85 3hx6 s GLU 1044N -0.14 2.78 0.65 6.28 2.56 -1.26 -4.34 118.70 125.23 3hx6 s GLU 1044Ca 0.00 -0.60 -0.18 0.00 0.00 0.00 0.00 54.97 54.20 3hx6 s GLU 1044Cb 0.00 -2.66 -0.01 0.00 2.00 0.00 0.00 34.13 33.46 3hx6 s GLU 1044CO 0.00 0.63 1.26 -0.25 -0.56 0.00 0.00 175.26 176.34 3hx6 n ASP 1045N 1.53 1.90 -4.92 -1.70 9.92 -1.26 -4.77 116.55 117.26 3hx6 n ASP 1045Ca -0.15 0.81 -0.20 0.00 -0.53 0.00 0.00 54.79 54.73 3hx6 n ASP 1045Cb 0.53 -1.54 -0.02 0.00 -0.64 0.00 0.00 41.12 39.45 3hx6 n ASP 1045CO 0.00 0.00 0.00 -0.04 0.13 0.00 0.00 177.20 177.29 3hx6 s MET 1046N -3.35 2.67 -0.18 -1.24 -1.94 -1.26 -4.74 119.30 109.26 3hx6 s MET 1046Ca 0.82 -1.40 -0.01 0.00 -1.71 0.00 0.00 55.69 53.40 3hx6 s MET 1046Cb -0.38 -2.52 0.05 0.00 2.01 0.00 0.00 34.83 33.99 3hx6 s MET 1046CO 0.41 -0.17 -0.03 0.42 -0.01 0.00 0.00 175.02 175.64 3hx6 s ILE 1047N -2.40 1.03 -0.27 2.53 1.01 0.29 -4.94 121.20 118.44 3hx6 s ILE 1047Ca 0.49 -0.70 -0.10 0.00 0.00 0.00 0.00 60.65 60.34 3hx6 s ILE 1047Cb -0.06 -1.30 -0.05 0.00 0.01 0.00 0.00 42.46 41.07 3hx6 s ILE 1047CO 0.29 0.01 0.16 0.00 0.00 0.00 0.00 174.94 175.41 3hx6 s ALA 1048N 1.65 3.45 -0.02 9.38 0.00 -1.26 0.18 121.76 135.13 3hx6 s ALA 1048Ca -0.01 -1.10 -0.01 0.00 0.00 0.00 0.00 51.96 50.84 3hx6 s ALA 1048Cb -0.16 -2.39 0.02 0.00 0.00 0.00 0.00 23.12 20.59 3hx6 s ALA 1048CO -0.07 -0.54 0.05 -1.50 0.00 0.00 0.00 175.76 173.70 3hx6 s ILE 1049N 1.73 -0.03 0.00 0.00 1.10 -0.37 -5.01 121.20 118.61 3hx6 s ILE 1049Ca 0.07 0.12 0.00 0.00 -0.51 0.00 0.00 60.65 60.33 3hx6 s ILE 1049Cb -0.16 -0.09 0.00 0.00 0.15 0.00 0.00 42.46 42.36 3hx6 s ILE 1049CO 0.09 0.05 0.00 0.61 -2.11 0.00 0.00 174.94 173.58 3hx6 n GLY 1050N 3.72 3.94 1.99 1.50 0.00 -1.26 -1.64 105.19 113.44 3hx6 n GLY 1050Ca -0.21 0.06 -0.24 0.00 0.00 0.00 0.00 46.02 45.63 3hx6 n GLY 1050CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3hx6 n GLN 1051N 14.00 2.89 -3.83 1.61 6.02 0.95 -4.98 117.38 134.04 3hx6 n GLN 1051Ca 0.00 -3.62 -0.12 0.00 -0.01 0.00 0.00 57.00 53.25 3hx6 n GLN 1051Cb 0.00 -2.19 -0.10 0.00 1.02 0.00 0.00 30.24 28.97 3hx6 n GLN 1051CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3hx6 s VAL 1052N -4.38 0.07 -0.13 5.09 0.11 -0.65 -4.37 120.40 116.13 3hx6 s VAL 1052Ca 0.55 -0.59 0.02 0.00 -2.93 0.00 0.00 61.98 59.04 3hx6 s VAL 1052Cb 0.45 -0.49 0.01 0.00 -1.53 0.00 0.00 36.38 34.82 3hx6 s VAL 1052CO 0.02 -0.32 -0.21 0.54 -3.33 0.00 0.00 175.10 171.79 3hx6 s VAL 1053N -1.29 1.99 -0.14 2.04 0.11 -0.08 -1.24 120.40 121.79 3hx6 s VAL 1053Ca -0.14 -0.94 -0.06 0.00 -2.93 0.00 0.00 61.98 57.92 3hx6 s VAL 1053Cb -0.07 -1.76 -0.04 0.00 -1.53 0.00 0.00 36.38 32.98 3hx6 s VAL 1053CO 0.02 0.54 0.07 -0.76 -3.33 0.00 0.00 175.10 171.64 3hx6 s LEU 1054N 0.82 3.91 0.10 2.54 1.43 0.13 -1.34 118.68 126.26 3hx6 s LEU 1054Ca -0.07 0.21 -0.11 0.00 -1.03 0.00 0.00 54.13 53.12 3hx6 s LEU 1054Cb -0.16 -1.95 0.01 0.00 0.03 0.00 0.00 46.19 44.12 3hx6 s LEU 1054CO -0.02 0.30 0.27 -1.48 0.23 0.00 0.00 176.35 175.65 3hx6 s LEU 1055N -0.38 1.05 -0.05 1.79 2.34 -0.36 -0.55 118.68 122.51 3hx6 s LEU 1055Ca 0.09 -0.50 0.01 0.00 0.06 0.00 0.00 54.13 53.79 3hx6 s LEU 1055Cb -0.12 1.32 0.02 0.00 -0.56 0.00 0.00 46.19 46.85 3hx6 s LEU 1055CO 0.02 -0.76 -0.05 -1.58 -1.06 0.00 0.00 176.35 172.92 3hx6 s GLN 1056N -3.71 0.91 0.33 1.48 0.74 -1.26 0.43 119.66 118.57 3hx6 s GLN 1056Ca 0.03 -0.11 0.08 0.00 0.05 0.00 0.00 55.36 55.41 3hx6 s GLN 1056Cb 0.03 -0.95 -0.03 0.00 1.10 0.00 0.00 33.01 33.16 3hx6 s GLN 1056CO -0.11 -0.12 0.26 0.95 -0.55 0.00 0.00 175.29 175.73 3hx6 s THR 1057N 1.10 3.56 -0.02 -0.34 -4.23 0.24 -4.39 115.64 111.56 3hx6 s THR 1057Ca -0.08 -1.42 0.06 0.00 -1.18 0.00 0.00 61.69 59.07 3hx6 s THR 1057Cb -0.14 -3.18 -0.01 0.00 1.34 0.00 0.00 72.50 70.51 3hx6 s THR 1057CO -0.01 -0.19 -0.20 -0.51 -0.54 0.00 0.00 174.62 173.17 3hx6 s ILE 1058N -2.30 1.56 -0.33 2.99 2.07 0.14 -1.76 121.20 123.57 3hx6 s ILE 1058Ca 0.40 -0.84 0.03 0.00 -1.41 0.00 0.00 60.65 58.83 3hx6 s ILE 1058Cb -0.06 -1.30 0.10 0.00 0.13 0.00 0.00 42.46 41.33 3hx6 s ILE 1058CO 0.26 0.44 0.04 -0.89 -1.91 0.00 0.00 174.94 172.88 3hx6 s THR 1059N -0.38 2.04 1.05 4.00 2.01 0.19 -1.64 115.64 122.91 3hx6 s THR 1059Ca 0.06 -2.12 -0.12 0.00 0.31 0.00 0.00 61.69 59.82 3hx6 s THR 1059Cb -0.08 -2.48 0.22 0.00 0.01 0.00 0.00 72.50 70.17 3hx6 s THR 1059CO -0.00 -0.55 1.07 -2.84 -0.69 0.00 0.00 174.62 171.61 3hx6 s PRO 1060N 1.03 -0.06 0.00 4.92 0.02 -1.26 -0.32 135.00 139.33 3hx6 s PRO 1060Ca 0.09 1.04 0.00 0.00 0.02 0.00 0.00 61.00 62.15 3hx6 s PRO 1060Cb -0.19 -1.64 0.00 0.00 0.02 0.00 0.00 34.50 32.69 3hx6 s PRO 1060CO -0.10 -3.21 0.00 0.27 -0.33 0.00 0.00 177.00 173.63 3hx6 n ASN 1061N -4.58 0.00 -4.23 2.53 6.94 -1.26 -4.59 115.26 110.08 3hx6 n ASN 1061Ca 0.06 0.00 -0.17 0.00 -0.02 0.00 0.00 54.58 54.45 3hx6 n ASN 1061Cb 0.54 0.00 -0.11 0.00 -2.36 0.00 0.00 39.78 37.85 3hx6 n ASN 1061CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3hx6 s ALA 1069N 0.00 1.41 -0.08 -2.53 0.00 -1.26 -5.04 121.76 114.26 3hx6 s ALA 1069Ca 0.00 -1.28 0.02 0.00 0.00 0.00 0.00 51.96 50.71 3hx6 s ALA 1069Cb 0.00 -0.05 -0.02 0.00 0.00 0.00 0.00 23.12 23.05 3hx6 s ALA 1069CO 0.00 0.06 -0.15 0.45 0.00 0.00 0.00 175.76 176.12 3hx6 s SER 1070N -2.48 3.90 -0.13 0.00 0.15 0.56 -4.59 113.70 111.11 3hx6 s SER 1070Ca 0.08 -0.29 -0.05 0.00 0.70 0.00 0.00 55.95 56.40 3hx6 s SER 1070Cb -0.04 -1.14 -0.04 0.00 -1.71 0.00 0.00 66.02 63.09 3hx6 s SER 1070CO 0.02 0.26 0.03 0.20 1.20 0.00 0.00 173.24 174.96 3hx6 s ASN 1071N -0.24 5.46 -0.12 5.45 0.02 -1.25 0.54 114.94 124.80 3hx6 s ASN 1071Ca 0.01 0.12 0.01 0.00 -1.02 0.00 0.00 52.86 51.98 3hx6 s ASN 1071Cb -0.13 -1.77 0.02 0.00 0.02 0.00 0.00 41.25 39.39 3hx6 s ASN 1071CO 0.03 0.28 -0.14 0.26 0.02 0.00 0.00 177.10 177.55 3hx6 s TRP 1072N -0.28 1.96 -0.19 2.20 0.52 -0.73 0.25 118.94 122.68 3hx6 s TRP 1072Ca 0.07 -0.99 -0.09 0.00 0.02 0.00 0.00 56.10 55.12 3hx6 s TRP 1072Cb -0.12 -1.45 -0.05 0.00 -1.15 0.00 0.00 33.47 30.71 3hx6 s TRP 1072CO 0.02 -0.54 0.11 0.99 0.02 0.00 0.00 176.95 177.55 3hx6 s THR 1073N 1.22 5.21 0.11 2.01 2.01 -0.32 -0.60 115.64 125.29 3hx6 s THR 1073Ca -0.02 0.11 0.10 0.00 0.31 0.00 0.00 61.69 62.20 3hx6 s THR 1073Cb -0.14 -3.36 -0.04 0.00 0.01 0.00 0.00 72.50 68.98 3hx6 s THR 1073CO -0.05 0.46 -0.25 -0.31 -0.69 0.00 0.00 174.62 173.78 3hx6 s TYR 1074N 0.23 2.15 -0.29 4.92 1.51 0.17 -1.33 117.35 124.72 3hx6 s TYR 1074Ca 0.07 -0.39 0.00 0.00 -1.01 0.00 0.00 57.07 55.74 3hx6 s TYR 1074Cb -0.11 -1.18 0.09 0.00 -0.11 0.00 0.00 41.96 40.64 3hx6 s TYR 1074CO -0.01 0.28 0.06 0.20 -1.11 0.00 0.00 175.55 174.97 3hx6 s GLY 1075N -1.94 1.21 0.30 0.71 0.00 0.65 -1.23 107.32 107.02 3hx6 s GLY 1075Ca 0.12 -1.65 0.11 0.00 0.00 0.00 0.00 44.72 43.30 3hx6 s GLY 1075CO 0.05 1.36 -0.13 1.08 0.00 0.00 0.00 173.10 175.46 3hx6 s LEU 1076N 1.49 2.74 -0.25 0.66 1.43 -0.45 -4.62 118.68 119.68 3hx6 s LEU 1076Ca 0.06 -1.00 -0.29 0.00 -1.03 0.00 0.00 54.13 51.87 3hx6 s LEU 1076Cb -0.18 -1.20 0.00 0.00 0.03 0.00 0.00 46.19 44.85 3hx6 s LEU 1076CO -0.17 -0.04 1.17 -0.62 0.23 0.00 0.00 176.35 176.92 3hx6 s ASP 1077N -3.57 6.91 0.49 2.29 2.15 -0.21 -0.91 116.67 123.82 3hx6 s ASP 1077Ca 0.31 1.33 0.25 0.00 0.43 0.00 0.00 52.55 54.87 3hx6 s ASP 1077Cb -0.03 -2.54 1.28 0.00 -0.30 0.00 0.00 42.92 41.33 3hx6 s ASP 1077CO 0.16 -0.85 2.01 1.55 -0.17 0.00 0.00 175.17 177.87 3hx6 h PRO 1078N 8.26 0.00 0.00 4.34 0.13 -1.89 0.74 132.00 143.58 3hx6 h PRO 1078Ca -0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 3hx6 h PRO 1078Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 3hx6 h PRO 1078CO 1.00 0.16 0.00 0.66 -0.23 0.00 0.00 178.00 179.60 3hx6 n TYR 1079N -3.66 0.00 -0.21 1.56 0.53 -1.26 -4.25 117.16 109.86 3hx6 n TYR 1079Ca -0.02 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.86 3hx6 n TYR 1079Cb 0.28 -0.40 0.00 0.00 -1.03 0.00 0.00 39.34 38.19 3hx6 n TYR 1079CO 0.00 0.00 0.00 -2.37 -1.02 0.00 0.00 176.86 173.47 3hx6 n THR 1080N -1.40 0.00 -0.89 -0.72 5.66 -1.04 -4.77 114.28 111.12 3hx6 n THR 1080Ca 0.10 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.10 3hx6 n THR 1080Cb 0.29 0.43 0.00 0.00 -1.55 0.00 0.00 70.33 69.50 3hx6 n THR 1080CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3hx6 n GLY 1081N 0.00 0.66 0.00 1.09 0.00 0.26 -4.75 105.19 102.45 3hx6 n GLY 1081Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3hx6 n GLY 1081CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hx6 n GLY 1082N -1.98 3.14 3.74 -0.02 0.00 -1.24 -4.73 105.19 104.10 3hx6 n GLY 1082Ca 0.00 -2.07 -0.41 0.00 0.00 0.00 0.00 46.02 43.54 3hx6 n GLY 1082CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3hx6 s ARG 1083N 1.33 4.31 0.68 1.61 3.52 0.35 -1.05 118.95 129.70 3hx6 s ARG 1083Ca 0.00 2.22 -0.13 0.00 -0.13 0.00 0.00 55.73 57.69 3hx6 s ARG 1083Cb 0.00 -3.13 0.01 0.00 -1.56 0.00 0.00 34.95 30.26 3hx6 s ARG 1083CO 0.00 -0.35 1.08 0.95 -0.81 0.00 0.00 175.30 176.17 3hx6 s THR 1084N -0.07 3.54 -2.31 4.11 -4.23 -1.26 -4.70 115.64 110.73 3hx6 s THR 1084Ca 0.58 0.63 0.27 0.00 -1.18 0.00 0.00 61.69 61.98 3hx6 s THR 1084Cb -0.40 -3.18 0.62 0.00 1.34 0.00 0.00 72.50 70.88 3hx6 s THR 1084CO 0.42 -0.53 1.82 -1.54 -0.54 0.00 0.00 174.62 174.26 3hx6 n SER 1085N -2.71 1.07 -4.20 3.99 3.41 -1.26 -4.58 113.62 109.35 3hx6 n SER 1085Ca 0.09 -1.41 -0.15 0.00 -0.26 0.00 0.00 58.87 57.14 3hx6 n SER 1085Cb 0.53 -0.02 -0.11 0.00 -0.26 0.00 0.00 64.21 64.35 3hx6 n SER 1085CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 3hx6 s PHE 1086N -1.96 1.17 0.11 7.33 -0.12 -1.26 -4.91 117.98 118.33 3hx6 s PHE 1086Ca 0.39 -0.66 -0.31 0.00 -0.05 0.00 0.00 56.93 56.29 3hx6 s PHE 1086Cb 0.20 -0.62 -0.08 0.00 -0.63 0.00 0.00 43.02 41.88 3hx6 s PHE 1086CO 0.32 0.04 1.49 0.99 -0.05 0.00 0.00 175.22 178.01 3hx6 s THR 1087N -2.59 3.08 -0.23 -4.49 2.01 -1.26 -4.78 115.64 107.38 3hx6 s THR 1087Ca 0.09 0.73 -0.16 0.00 0.31 0.00 0.00 61.69 62.65 3hx6 s THR 1087Cb -0.02 -3.47 -0.11 0.00 0.01 0.00 0.00 72.50 68.92 3hx6 s THR 1087CO 0.01 0.04 -0.26 0.52 -0.69 0.00 0.00 174.62 174.24 3hx6 n VAL 1088N 4.14 1.51 -3.78 3.82 0.31 -1.26 -4.44 118.33 118.63 3hx6 n VAL 1088Ca 0.13 -0.14 -0.33 0.00 -0.01 0.00 0.00 64.34 63.99 3hx6 n VAL 1088Cb 0.41 -2.08 -0.05 0.00 -0.91 0.00 0.00 33.84 31.21 3hx6 n VAL 1088CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 3hx6 s PHE 1089N -2.58 3.54 -0.89 3.52 0.08 -1.26 0.25 117.98 120.64 3hx6 s PHE 1089Ca -0.33 0.50 -0.15 0.00 0.12 0.00 0.00 56.93 57.07 3hx6 s PHE 1089Cb 0.10 -1.94 0.19 0.00 -0.57 0.00 0.00 43.02 40.79 3hx6 s PHE 1089CO 0.47 0.57 0.94 0.34 -0.10 0.00 0.00 175.22 177.43 3hx6 s ASP 1090N -2.02 6.76 0.09 1.36 2.15 -0.79 -4.78 116.67 119.45 3hx6 s ASP 1090Ca 0.32 -2.54 0.27 0.00 0.43 0.00 0.00 52.55 51.03 3hx6 s ASP 1090Cb -0.13 -2.28 0.89 0.00 -0.30 0.00 0.00 42.92 41.09 3hx6 s ASP 1090CO 0.20 -0.73 1.74 0.18 -0.17 0.00 0.00 175.17 176.39 3hx6 n LEU 1091N 4.84 0.44 -0.79 -1.34 4.77 -1.26 -3.66 117.00 120.00 3hx6 n LEU 1091Ca 0.19 0.43 0.11 0.00 -0.03 0.00 0.00 56.01 56.71 3hx6 n LEU 1091Cb 0.47 -0.36 0.30 0.00 -2.33 0.00 0.00 43.42 41.49 3hx6 n LEU 1091CO 0.41 -0.06 0.74 0.00 -1.33 0.00 0.00 177.39 177.15 3hx6 n ALA 1092N -1.64 2.47 -3.78 -1.18 0.00 -1.26 -4.74 120.51 110.38 3hx6 n ALA 1092Ca 0.06 -0.71 -0.27 0.00 0.00 0.00 0.00 53.44 52.52 3hx6 n ALA 1092Cb 0.38 -1.00 0.04 0.00 0.00 0.00 0.00 19.45 18.88 3hx6 n ALA 1092CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3hx6 n ARG 1093N 0.78 -6.05 0.07 0.00 1.74 -1.24 -4.65 116.66 107.31 3hx6 n ARG 1093Ca 0.17 0.67 0.12 0.00 -0.77 0.00 0.00 57.85 58.04 3hx6 n ARG 1093Cb 0.43 -5.55 0.28 0.00 -1.02 0.00 0.00 32.46 26.60 3hx6 n ARG 1093CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 3hx6 n GLN 1094N -4.66 0.25 0.00 5.56 1.13 -1.26 -4.90 117.38 113.49 3hx6 n GLN 1094Ca -0.04 0.12 0.00 0.00 -1.94 0.00 0.00 57.00 55.14 3hx6 n GLN 1094Cb 0.57 -1.70 0.00 0.00 0.11 0.00 0.00 30.24 29.22 3hx6 n GLN 1094CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3hx6 n GLY 1095N 1.35 1.97 3.14 1.08 0.00 -1.26 -4.98 105.19 106.49 3hx6 n GLY 1095Ca 0.04 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.97 3hx6 n GLY 1095CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3hx6 s VAL 1096N -2.35 0.14 -0.43 1.61 -7.23 -1.26 -4.93 120.40 105.95 3hx6 s VAL 1096Ca 0.00 -1.18 -0.23 0.00 -1.81 0.00 0.00 61.98 58.76 3hx6 s VAL 1096Cb 0.00 -1.06 0.02 0.00 0.56 0.00 0.00 36.38 35.90 3hx6 s VAL 1096CO 0.00 -0.65 0.80 -0.69 -0.31 0.00 0.00 175.10 174.25 3hx6 s VAL 1097N -3.01 4.65 0.35 1.32 1.01 -1.26 -4.78 120.40 118.68 3hx6 s VAL 1097Ca -0.02 0.54 0.06 0.00 0.00 0.00 0.00 61.98 62.57 3hx6 s VAL 1097Cb 0.01 -4.31 -0.03 0.00 0.00 0.00 0.00 36.38 32.05 3hx6 s VAL 1097CO -0.06 -0.67 0.22 1.51 0.00 0.00 0.00 175.10 176.09 3hx6 s ASP 1098N 2.09 2.00 0.65 3.32 1.47 -1.26 -5.03 116.67 119.91 3hx6 s ASP 1098Ca 0.31 -1.71 0.29 0.00 1.18 0.00 0.00 52.55 52.62 3hx6 s ASP 1098Cb -0.12 0.54 1.59 0.00 -0.34 0.00 0.00 42.92 44.58 3hx6 s ASP 1098CO 0.22 -1.01 1.91 0.77 0.68 0.00 0.00 175.17 177.74 3hx6 h SER 1099N 2.03 0.00 -0.01 2.11 4.64 -1.98 -0.66 113.55 119.69 3hx6 h SER 1099Ca -0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 3hx6 h SER 1099Cb 1.25 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.34 3hx6 h SER 1099CO 0.44 0.00 0.05 0.11 -0.87 0.00 0.00 176.83 176.56 3hx6 h LYS 1100N 0.00 0.00 -0.01 4.77 6.56 -1.97 -0.87 116.57 125.06 3hx6 h LYS 1100Ca 0.04 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.63 3hx6 h LYS 1100Cb 0.77 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.43 3hx6 h LYS 1100CO -0.00 0.00 -0.34 0.43 -2.06 0.00 0.00 179.45 177.48 3hx6 n SER 1101N -3.15 1.70 -4.88 0.86 7.64 -0.25 -4.15 113.62 111.38 3hx6 n SER 1101Ca -0.03 -1.32 -0.30 0.00 1.01 0.00 0.00 58.87 58.23 3hx6 n SER 1101Cb 0.12 0.30 0.05 0.00 -1.01 0.00 0.00 64.21 63.67 3hx6 n SER 1101CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 3hx6 s ASP 1102N -2.43 5.30 0.04 6.43 1.01 -0.33 -4.60 116.67 122.08 3hx6 s ASP 1102Ca 0.22 1.08 0.06 0.00 0.71 0.00 0.00 52.55 54.63 3hx6 s ASP 1102Cb 0.19 -1.84 -0.02 0.00 1.01 0.00 0.00 42.92 42.26 3hx6 s ASP 1102CO 0.52 -1.43 -0.18 -0.47 0.21 0.00 0.00 175.17 173.82 3hx6 s TYR 1103N -3.39 1.59 -0.54 4.23 6.14 -0.68 -4.95 117.35 119.75 3hx6 s TYR 1103Ca 0.59 -0.36 -0.24 0.00 0.64 0.00 0.00 57.07 57.70 3hx6 s TYR 1103Cb -0.11 -0.95 0.04 0.00 0.42 0.00 0.00 41.96 41.36 3hx6 s TYR 1103CO 0.51 0.07 0.92 0.45 0.64 0.00 0.00 175.55 178.14 3hx6 s SER 1104N -1.11 6.34 -0.37 4.32 0.15 -1.26 -0.41 113.70 121.37 3hx6 s SER 1104Ca 0.05 -0.36 -0.08 0.00 0.70 0.00 0.00 55.95 56.27 3hx6 s SER 1104Cb -0.08 -2.43 0.05 0.00 -1.71 0.00 0.00 66.02 61.85 3hx6 s SER 1104CO 0.01 -1.20 0.16 -0.47 1.20 0.00 0.00 173.24 172.95 3hx6 s TYR 1105N 3.85 3.29 -1.23 3.44 5.04 0.17 -4.49 117.35 127.42 3hx6 s TYR 1105Ca 0.30 -1.43 -0.07 0.00 -2.44 0.00 0.00 57.07 53.43 3hx6 s TYR 1105Cb -0.13 -2.51 0.01 0.00 0.35 0.00 0.00 41.96 39.68 3hx6 s TYR 1105CO 0.19 -0.76 0.93 0.09 -1.34 0.00 0.00 175.55 174.67 3hx6 n ASN 1106N 4.86 -5.81 -1.99 4.32 3.02 -1.26 -2.35 115.26 116.04 3hx6 n ASN 1106Ca -0.11 -0.43 -0.14 0.00 -0.03 0.00 0.00 54.58 53.87 3hx6 n ASN 1106Cb 0.44 -4.47 0.02 0.00 -0.61 0.00 0.00 39.78 35.16 3hx6 n ASN 1106CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3hx6 n LYS 1107N -4.28 -2.96 -3.79 3.52 5.02 -1.26 -5.02 118.16 109.38 3hx6 n LYS 1107Ca -0.01 0.60 -0.13 0.00 -2.02 0.00 0.00 58.31 56.75 3hx6 n LYS 1107Cb 0.56 -4.82 -0.14 0.00 -0.02 0.00 0.00 35.03 30.62 3hx6 n LYS 1107CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 3hx6 s GLN 1108N -5.22 0.10 -0.00 1.97 1.11 -0.99 -5.12 119.66 111.51 3hx6 s GLN 1108Ca 0.17 0.25 -0.30 0.00 0.01 0.00 0.00 55.36 55.49 3hx6 s GLN 1108Cb -0.08 -0.07 -0.05 0.00 -1.01 0.00 0.00 33.01 31.80 3hx6 s GLN 1108CO 0.22 -0.09 1.28 -0.80 0.01 0.00 0.00 175.29 175.90 3hx6 s ASN 1109N 0.63 6.98 0.02 5.90 0.02 -1.26 0.46 114.94 127.68 3hx6 s ASN 1109Ca -0.05 1.99 0.00 0.00 -1.02 0.00 0.00 52.86 53.78 3hx6 s ASN 1109Cb -0.06 -2.57 -0.02 0.00 0.02 0.00 0.00 41.25 38.62 3hx6 s ASN 1109CO -0.03 -0.61 -0.03 0.54 0.02 0.00 0.00 177.10 176.99 3hx6 s VAL 1110N 1.95 0.16 0.44 1.60 0.11 0.46 -4.91 120.40 120.20 3hx6 s VAL 1110Ca 0.60 -0.87 -0.24 0.00 -2.93 0.00 0.00 61.98 58.53 3hx6 s VAL 1110Cb -0.29 -0.29 -0.08 0.00 -1.53 0.00 0.00 36.38 34.20 3hx6 s VAL 1110CO 0.26 -0.45 1.21 0.00 -3.33 0.00 0.00 175.10 172.79 3hx6 s ALA 1111N -1.35 3.08 -0.11 1.54 0.00 -1.26 -1.68 121.76 121.97 3hx6 s ALA 1111Ca -0.14 1.05 -0.21 0.00 0.00 0.00 0.00 51.96 52.65 3hx6 s ALA 1111Cb -0.09 -3.42 -0.04 0.00 0.00 0.00 0.00 23.12 19.57 3hx6 s ALA 1111CO -0.01 -0.72 0.61 0.08 0.00 0.00 0.00 175.76 175.72 3hx6 s VAL 1112N -1.42 5.09 -0.11 0.00 1.01 -1.26 -4.84 120.40 118.87 3hx6 s VAL 1112Ca 0.61 1.23 0.16 0.00 0.00 0.00 0.00 61.98 63.98 3hx6 s VAL 1112Cb -0.32 -3.95 -0.19 0.00 0.00 0.00 0.00 36.38 31.92 3hx6 s VAL 1112CO 0.40 0.24 0.64 -1.20 0.00 0.00 0.00 175.10 175.18 3hx6 n SER 1113N 4.05 0.67 -4.04 3.32 7.64 -1.11 -4.67 113.62 119.48 3hx6 n SER 1113Ca -0.03 0.30 -0.10 0.00 1.01 0.00 0.00 58.87 60.06 3hx6 n SER 1113Cb 0.51 0.35 -0.11 0.00 -1.01 0.00 0.00 64.21 63.95 3hx6 n SER 1113CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 3hx6 s GLY 1114N -4.97 0.39 -0.12 0.23 0.00 -1.01 -0.25 107.32 101.60 3hx6 s GLY 1114Ca -0.05 -0.83 -0.13 0.00 0.00 0.00 0.00 44.72 43.71 3hx6 s GLY 1114CO 0.82 -0.91 0.36 -1.08 0.00 0.00 0.00 173.10 172.29 3hx6 s THR 1115N -2.19 0.01 0.08 0.90 -1.32 -0.44 -1.26 115.64 111.42 3hx6 s THR 1115Ca -0.07 -0.07 -0.30 0.00 -1.21 0.00 0.00 61.69 60.04 3hx6 s THR 1115Cb -0.05 -0.54 -0.06 0.00 -1.51 0.00 0.00 72.50 70.35 3hx6 s THR 1115CO -0.03 -0.04 1.13 -0.70 -2.21 0.00 0.00 174.62 172.77 3hx6 s GLU 1116N -0.04 4.50 0.24 7.08 2.12 -0.81 -1.17 118.70 130.62 3hx6 s GLU 1116Ca -0.02 1.68 0.06 0.00 0.36 0.00 0.00 54.97 57.05 3hx6 s GLU 1116Cb -0.03 -3.35 -0.03 0.00 0.26 0.00 0.00 34.13 30.98 3hx6 s GLU 1116CO 0.01 -0.12 0.25 -1.14 -0.54 0.00 0.00 175.26 173.72 3hx6 s GLN 1117N 0.66 3.11 -1.15 4.30 2.00 0.14 -4.84 119.66 123.89 3hx6 s GLN 1117Ca 0.55 -0.94 -0.18 0.00 -2.00 0.00 0.00 55.36 52.79 3hx6 s GLN 1117Cb -0.28 -2.69 -0.05 0.00 0.80 0.00 0.00 33.01 30.80 3hx6 s GLN 1117CO 0.30 0.42 2.10 1.63 -0.50 0.00 0.00 175.29 179.24 3hx6 n LYS 1118N -1.22 2.24 0.00 1.67 4.01 -1.26 -3.95 118.16 119.66 3hx6 n LYS 1118Ca -0.08 -2.25 0.00 0.00 -0.51 0.00 0.00 58.31 55.46 3hx6 n LYS 1118Cb 0.57 -3.12 0.00 0.00 -0.51 0.00 0.00 35.03 31.98 3hx6 n LYS 1118CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3hx6 n GLY 1119N 4.29 0.00 0.00 0.72 0.00 -1.26 -4.54 105.19 104.40 3hx6 n GLY 1119Ca 0.51 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.53 3hx6 n GLY 1119CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 3hx6 n LEU 1120N 0.00 0.00 0.00 0.99 -0.00 -1.26 -4.95 117.00 111.78 3hx6 n LEU 1120Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 3hx6 n LEU 1120Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 3hx6 n LEU 1120CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.00 3hx6 n GLY 1121N 0.00 4.72 0.00 1.47 0.00 -1.26 -4.94 105.19 105.18 3hx6 n GLY 1121Ca 0.00 -1.50 0.00 0.00 0.00 0.00 0.00 46.02 44.52 3hx6 n GLY 1121CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hx6 n GLY 1122N 0.00 6.50 3.42 -0.02 0.00 -1.26 -4.91 105.19 108.92 3hx6 n GLY 1122Ca 0.00 -1.92 -0.36 0.00 0.00 0.00 0.00 46.02 43.75 3hx6 n GLY 1122CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hx6 s LEU 1123N 0.00 3.29 -0.03 0.99 1.43 -1.26 -3.97 118.68 119.13 3hx6 s LEU 1123Ca 0.00 -0.24 0.02 0.00 -1.03 0.00 0.00 54.13 52.88 3hx6 s LEU 1123Cb 0.00 -1.86 0.01 0.00 0.03 0.00 0.00 46.19 44.36 3hx6 s LEU 1123CO 0.00 -0.00 -0.08 0.28 0.23 0.00 0.00 176.35 176.78 3hx6 s THR 1124N 1.42 0.73 -0.19 5.49 -1.32 -0.82 -4.99 115.64 115.96 3hx6 s THR 1124Ca 0.05 -0.31 -0.09 0.00 -1.21 0.00 0.00 61.69 60.13 3hx6 s THR 1124Cb -0.15 -0.67 -0.05 0.00 -1.51 0.00 0.00 72.50 70.12 3hx6 s THR 1124CO 0.02 0.24 0.11 -0.22 -2.21 0.00 0.00 174.62 172.56 3hx6 s LEU 1125N 0.38 4.11 0.00 9.08 1.98 -1.26 -0.36 118.68 132.61 3hx6 s LEU 1125Ca -0.06 0.21 0.04 0.00 -2.89 0.00 0.00 54.13 51.43 3hx6 s LEU 1125Cb -0.10 -2.05 -0.01 0.00 0.66 0.00 0.00 46.19 44.68 3hx6 s LEU 1125CO 0.01 0.20 0.34 -1.54 -1.89 0.00 0.00 176.35 173.47 3hx6 n SER 1126N 3.40 -0.92 -4.20 3.68 3.41 0.12 -4.99 113.62 114.13 3hx6 n SER 1126Ca -0.16 -2.98 -0.29 0.00 -0.26 0.00 0.00 58.87 55.17 3hx6 n SER 1126Cb 0.52 1.91 -0.16 0.00 -0.26 0.00 0.00 64.21 66.22 3hx6 n SER 1126CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3hx6 s THR 1127N -3.10 1.79 1.09 6.66 2.01 -1.26 0.20 115.64 123.03 3hx6 s THR 1127Ca 0.34 -0.91 -0.17 0.00 0.31 0.00 0.00 61.69 61.26 3hx6 s THR 1127Cb 0.01 -1.53 0.24 0.00 0.01 0.00 0.00 72.50 71.23 3hx6 s THR 1127CO 0.24 0.50 1.15 0.54 -0.69 0.00 0.00 174.62 176.36 3hx6 s ASN 1128N -0.01 1.89 0.55 3.53 2.20 -0.46 -4.86 114.94 117.79 3hx6 s ASN 1128Ca -0.06 0.69 0.36 0.00 -0.94 0.00 0.00 52.86 52.92 3hx6 s ASN 1128Cb -0.13 -1.01 1.83 0.00 -2.00 0.00 0.00 41.25 39.93 3hx6 s ASN 1128CO 0.04 -3.53 2.10 -0.33 -2.94 0.00 0.00 177.10 172.44 3hx6 h GLU 1129N -2.18 0.00 -0.62 3.55 5.08 -2.01 -1.20 114.58 117.20 3hx6 h GLU 1129Ca -0.47 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 3hx6 h GLU 1129Cb 1.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.55 3hx6 h GLU 1129CO 0.42 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.43 3hx6 n GLN 1130N -2.87 3.11 -1.23 2.33 0.00 -1.26 -4.93 117.38 112.52 3hx6 n GLN 1130Ca -0.01 -2.20 -0.08 0.00 0.00 0.00 0.00 57.00 54.70 3hx6 n GLN 1130Cb 0.14 -1.75 -0.03 0.00 0.00 0.00 0.00 30.24 28.59 3hx6 n GLN 1130CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3hx6 n GLY 1131N 0.95 0.98 3.79 2.61 0.00 -0.45 -5.03 105.19 108.05 3hx6 n GLY 1131Ca 0.20 -0.47 -0.32 0.00 0.00 0.00 0.00 46.02 45.43 3hx6 n GLY 1131CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3hx6 s ASN 1132N -2.73 5.69 0.32 1.61 0.01 -1.26 -4.85 114.94 113.75 3hx6 s ASN 1132Ca 0.00 0.09 -0.28 0.00 -0.71 0.00 0.00 52.86 51.96 3hx6 s ASN 1132Cb 0.00 -1.60 -0.13 0.00 0.41 0.00 0.00 41.25 39.93 3hx6 s ASN 1132CO 0.00 0.22 1.29 -2.65 -1.51 0.00 0.00 177.10 174.44 3hx6 n PRO 1133N 0.76 2.06 -3.68 -0.60 -0.02 -1.26 -1.35 135.00 130.91 3hx6 n PRO 1133Ca -0.10 0.72 -0.14 0.00 -2.02 0.00 0.00 63.50 61.97 3hx6 n PRO 1133Cb 0.52 -2.30 -0.14 0.00 -0.02 0.00 0.00 33.50 31.56 3hx6 n PRO 1133CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3hx6 s GLU 1134N -1.66 0.15 -0.24 -0.52 2.12 0.13 -1.20 118.70 117.48 3hx6 s GLU 1134Ca 0.57 0.65 -0.08 0.00 0.36 0.00 0.00 54.97 56.47 3hx6 s GLU 1134Cb -0.59 -0.10 -0.04 0.00 0.26 0.00 0.00 34.13 33.67 3hx6 s GLU 1134CO 0.60 -0.25 0.10 0.54 -0.54 0.00 0.00 175.26 175.72 3hx6 s VAL 1135N 2.03 4.78 0.06 3.70 0.11 -0.50 0.16 120.40 130.74 3hx6 s VAL 1135Ca -0.02 -0.02 0.03 0.00 -2.93 0.00 0.00 61.98 59.04 3hx6 s VAL 1135Cb -0.12 -3.22 -0.04 0.00 -1.53 0.00 0.00 36.38 31.48 3hx6 s VAL 1135CO -0.08 0.36 0.05 0.00 -3.33 0.00 0.00 175.10 172.09 3hx6 n SER 1137N 0.71 2.96 -3.10 0.00 2.88 0.86 -1.95 113.62 115.98 3hx6 n SER 1137Ca -0.10 -3.10 -0.00 0.00 -1.33 0.00 0.00 58.87 54.33 3hx6 n SER 1137Cb 0.52 -0.48 -0.00 0.00 -0.75 0.00 0.00 64.21 63.50 3hx6 n SER 1137CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 3hx6 n SER 1138N -0.33 -6.74 0.00 -3.46 7.64 -1.26 -4.17 113.62 105.30 3hx6 n SER 1138Ca 0.23 0.66 0.00 0.00 1.01 0.00 0.00 58.87 60.77 3hx6 n SER 1138Cb 0.77 -2.06 0.00 0.00 -1.01 0.00 0.00 64.21 61.91 3hx6 n SER 1138CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3hx6 n GLY 1139N 1.53 1.89 3.64 0.23 0.00 -1.26 -4.28 105.19 106.94 3hx6 n GLY 1139Ca -0.01 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.94 3hx6 n GLY 1139CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3hx6 s GLU 1140N 0.00 0.31 -0.06 1.61 2.12 -1.26 -5.05 118.70 116.37 3hx6 s GLU 1140Ca 0.00 0.35 0.03 0.00 0.36 0.00 0.00 54.97 55.70 3hx6 s GLU 1140Cb 0.00 0.15 -0.03 0.00 0.26 0.00 0.00 34.13 34.52 3hx6 s GLU 1140CO 0.00 -0.04 -0.13 0.00 -0.54 0.00 0.00 175.26 174.55 3hx6 s LEU 1142N -0.66 2.51 0.37 0.00 1.43 0.16 -4.94 118.68 117.55 3hx6 s LEU 1142Ca 0.10 -0.90 -0.28 0.00 -1.03 0.00 0.00 54.13 52.02 3hx6 s LEU 1142Cb -0.11 -1.44 -0.11 0.00 0.03 0.00 0.00 46.19 44.56 3hx6 s LEU 1142CO 0.01 -0.08 1.45 0.28 0.23 0.00 0.00 176.35 178.24 3hx6 s THR 1143N 1.26 2.16 0.19 5.49 -1.32 -1.26 -1.41 115.64 120.76 3hx6 s THR 1143Ca -0.00 0.16 0.09 0.00 -1.21 0.00 0.00 61.69 60.73 3hx6 s THR 1143Cb -0.16 -3.10 -0.04 0.00 -1.51 0.00 0.00 72.50 67.69 3hx6 s THR 1143CO -0.10 0.04 -0.17 0.68 -2.21 0.00 0.00 174.62 172.86 3hx6 s VAL 1144N -1.13 1.86 -0.40 5.08 -7.23 -0.34 -1.89 120.40 116.35 3hx6 s VAL 1144Ca 0.53 -2.10 -0.04 0.00 -1.81 0.00 0.00 61.98 58.56 3hx6 s VAL 1144Cb -0.45 -1.98 0.10 0.00 0.56 0.00 0.00 36.38 34.61 3hx6 s VAL 1144CO 0.61 -0.44 0.20 0.21 -0.31 0.00 0.00 175.10 175.37 3hx6 s ASN 1145N -3.03 5.31 0.19 4.85 2.47 0.14 -4.38 114.94 120.49 3hx6 s ASN 1145Ca 0.20 -1.86 0.12 0.00 0.42 0.00 0.00 52.86 51.74 3hx6 s ASN 1145Cb -0.04 -1.85 0.64 0.00 -1.45 0.00 0.00 41.25 38.55 3hx6 s ASN 1145CO 0.08 -0.53 1.34 -2.65 -3.72 0.00 0.00 177.10 171.62 3hx6 n PRO 1146N 4.67 0.08 0.00 0.43 -0.02 -1.26 -4.58 135.00 134.32 3hx6 n PRO 1146Ca -0.05 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 3hx6 n PRO 1146Cb 0.42 -1.79 0.00 0.00 -0.02 0.00 0.00 33.50 32.11 3hx6 n PRO 1146CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hx6 n GLY 1147N -1.37 3.39 0.00 -1.23 0.00 -1.26 -0.03 105.19 104.68 3hx6 n GLY 1147Ca -0.01 -1.91 0.00 0.00 0.00 0.00 0.00 46.02 44.10 3hx6 n GLY 1147CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27