#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gs6 n ALA 670 N 0.00 0.58 -1.75 4.61 0.00 -1.26 -5.09 120.51 117.60 2gs6 n ALA 670 Ca 0.00 -1.39 -0.38 0.00 0.00 0.00 0.00 53.44 51.67 2gs6 n ALA 670 Cb 0.00 0.54 0.03 0.00 0.00 0.00 0.00 19.45 20.03 2gs6 n ALA 670 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 2gs6 s MET 671 N -3.47 3.24 0.00 0.00 0.00 -1.26 -5.04 119.30 112.77 2gs6 s MET 671 Ca 0.23 2.17 0.00 0.00 0.00 0.00 0.00 55.69 58.09 2gs6 s MET 671 Cb -0.02 -2.28 0.00 0.00 0.00 0.00 0.00 34.83 32.53 2gs6 s MET 671 CO 0.15 -1.09 0.00 0.41 0.00 0.00 0.00 175.02 174.49 2gs6 n GLY 672 N 0.68 2.34 3.62 2.11 0.00 -1.26 -4.75 105.19 107.93 2gs6 n GLY 672 Ca 0.10 -2.12 -0.32 0.00 0.00 0.00 0.00 46.02 43.69 2gs6 n GLY 672 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2gs6 s GLU 673 N -0.88 2.55 0.23 1.61 0.41 -1.26 -4.61 118.70 116.75 2gs6 s GLU 673 Ca 0.00 -0.75 0.06 0.00 -0.41 0.00 0.00 54.97 53.87 2gs6 s GLU 673 Cb 0.00 -2.52 -0.03 0.00 -1.78 0.00 0.00 34.13 29.80 2gs6 s GLU 673 CO 0.00 0.59 0.24 0.00 -0.49 0.00 0.00 175.26 175.59 2gs6 s ALA 674 N -1.08 3.70 0.44 5.21 0.00 -1.26 -5.08 121.76 123.69 2gs6 s ALA 674 Ca 0.19 -1.31 -0.24 0.00 0.00 0.00 0.00 51.96 50.60 2gs6 s ALA 674 Cb -0.11 -1.46 -0.08 0.00 0.00 0.00 0.00 23.12 21.47 2gs6 s ALA 674 CO 0.10 0.31 1.24 -2.14 0.00 0.00 0.00 175.76 175.27 2gs6 s PRO 675 N -3.72 3.80 -0.59 0.00 0.02 -1.26 -4.98 135.00 128.28 2gs6 s PRO 675 Ca 0.33 1.98 -0.13 0.00 0.02 0.00 0.00 61.00 63.20 2gs6 s PRO 675 Cb -0.09 -2.56 0.15 0.00 0.02 0.00 0.00 34.50 32.02 2gs6 s PRO 675 CO 0.26 -0.57 0.51 1.21 -0.33 0.00 0.00 177.00 178.08 2gs6 s ASN 676 N -1.05 6.14 -0.35 2.53 3.84 -1.26 -4.93 114.94 119.87 2gs6 s ASN 676 Ca 0.61 -2.06 0.02 0.00 0.21 0.00 0.00 52.86 51.64 2gs6 s ASN 676 Cb -0.34 -2.14 0.43 0.00 -0.55 0.00 0.00 41.25 38.65 2gs6 s ASN 676 CO 0.42 -0.74 1.72 0.00 -2.79 0.00 0.00 177.10 175.72 2gs6 n GLN 677 N 4.82 1.93 -1.96 0.43 6.02 -1.26 -4.96 117.38 122.41 2gs6 n GLN 677 Ca -0.06 -2.13 -0.37 0.00 -0.01 0.00 0.00 57.00 54.44 2gs6 n GLN 677 Cb 0.41 -1.83 0.04 0.00 1.02 0.00 0.00 30.24 29.88 2gs6 n GLN 677 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2gs6 s ALA 678 N -2.37 2.61 -0.17 -1.58 0.00 -1.26 -4.99 121.76 114.00 2gs6 s ALA 678 Ca 0.41 1.10 -0.08 0.00 0.00 0.00 0.00 51.96 53.39 2gs6 s ALA 678 Cb 0.34 -3.48 -0.04 0.00 0.00 0.00 0.00 23.12 19.93 2gs6 s ALA 678 CO 0.06 -1.22 0.09 -0.51 0.00 0.00 0.00 175.76 174.18 2gs6 s LEU 679 N -3.91 4.00 -0.42 0.00 1.02 -1.26 -5.06 118.68 113.05 2gs6 s LEU 679 Ca 0.76 0.19 -0.09 0.00 0.02 0.00 0.00 54.13 55.01 2gs6 s LEU 679 Cb -0.33 -2.00 0.08 0.00 0.02 0.00 0.00 46.19 43.96 2gs6 s LEU 679 CO 0.37 0.23 0.25 -0.22 0.02 0.00 0.00 176.35 177.00 2gs6 s LEU 680 N 0.03 5.15 -0.01 1.79 0.20 -1.26 -4.94 118.68 119.64 2gs6 s LEU 680 Ca 0.07 -1.54 -0.30 0.00 0.69 0.00 0.00 54.13 53.05 2gs6 s LEU 680 Cb -0.12 -1.97 -0.03 0.00 -0.43 0.00 0.00 46.19 43.64 2gs6 s LEU 680 CO 0.00 -0.54 1.04 -0.13 -0.29 0.00 0.00 176.35 176.44 2gs6 s ARG 681 N 1.40 4.50 -0.31 1.98 3.00 -1.26 -4.99 118.95 123.27 2gs6 s ARG 681 Ca 0.03 1.50 -0.07 0.00 0.00 0.00 0.00 55.73 57.19 2gs6 s ARG 681 Cb -0.23 -3.45 0.02 0.00 0.00 0.00 0.00 34.95 31.28 2gs6 s ARG 681 CO 0.02 -0.15 0.10 0.42 0.00 0.00 0.00 175.30 175.68 2gs6 s ILE 682 N 1.22 3.98 0.07 1.52 1.01 -1.26 -1.16 121.20 126.59 2gs6 s ILE 682 Ca 0.53 -0.80 -0.13 0.00 0.00 0.00 0.00 60.65 60.24 2gs6 s ILE 682 Cb -0.23 -3.11 -0.06 0.00 0.01 0.00 0.00 42.46 39.07 2gs6 s ILE 682 CO 0.27 -0.00 0.46 -0.76 0.00 0.00 0.00 174.94 174.90 2gs6 s LEU 683 N 1.48 4.40 -0.11 2.97 1.02 0.29 -4.94 118.68 123.80 2gs6 s LEU 683 Ca 0.02 0.97 -0.29 0.00 0.02 0.00 0.00 54.13 54.84 2gs6 s LEU 683 Cb -0.18 -2.93 -0.03 0.00 0.02 0.00 0.00 46.19 43.07 2gs6 s LEU 683 CO 0.03 0.21 1.41 -0.54 0.02 0.00 0.00 176.35 177.47 2gs6 s LYS 684 N -1.60 4.22 0.55 1.70 -0.14 -1.26 -4.57 119.74 118.64 2gs6 s LYS 684 Ca 0.31 1.87 0.26 0.00 -1.36 0.00 0.00 55.97 57.05 2gs6 s LYS 684 Cb -0.16 -3.81 1.45 0.00 -1.68 0.00 0.00 37.83 33.63 2gs6 s LYS 684 CO 0.17 -0.73 2.01 1.49 -0.76 0.00 0.00 175.35 177.53 2gs6 h GLU 685 N 8.59 0.00 -0.48 1.68 4.81 -1.97 0.23 114.58 127.45 2gs6 h GLU 685 Ca -0.32 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.91 2gs6 h GLU 685 Cb 1.14 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.52 2gs6 h GLU 685 CO 0.95 0.00 0.00 0.25 -0.73 0.00 0.00 179.01 179.48 2gs6 n THR 686 N -4.20 0.00 0.36 0.32 -2.24 -1.26 -2.98 114.28 104.28 2gs6 n THR 686 Ca 0.08 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.92 2gs6 n THR 686 Cb 0.55 -0.25 0.08 0.00 -2.10 0.00 0.00 70.33 68.61 2gs6 n THR 686 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2gs6 n GLU 687 N -0.25 1.20 -4.07 -0.78 1.02 0.07 -5.00 120.64 112.83 2gs6 n GLU 687 Ca 0.00 -1.44 -0.23 0.00 -0.02 0.00 0.00 57.16 55.48 2gs6 n GLU 687 Cb 0.12 -1.25 -0.06 0.00 -0.02 0.00 0.00 31.44 30.23 2gs6 n GLU 687 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 2gs6 s PHE 688 N -1.03 2.74 -0.37 -0.32 0.40 -1.16 -0.18 117.98 118.06 2gs6 s PHE 688 Ca 0.17 -0.36 0.13 0.00 -0.60 0.00 0.00 56.93 56.27 2gs6 s PHE 688 Cb 0.11 -1.64 0.38 0.00 0.51 0.00 0.00 43.02 42.38 2gs6 s PHE 688 CO 0.16 0.33 0.87 1.63 0.70 0.00 0.00 175.22 178.91 2gs6 n LYS 689 N -1.17 1.03 -0.62 0.44 5.02 -0.91 -4.94 118.16 117.01 2gs6 n LYS 689 Ca -0.03 -3.08 -0.05 0.00 -2.02 0.00 0.00 58.31 53.13 2gs6 n LYS 689 Cb 0.61 -1.41 -0.05 0.00 -0.02 0.00 0.00 35.03 34.16 2gs6 n LYS 689 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2gs6 n LYS 690 N 0.15 0.00 -0.15 1.97 5.02 -1.26 -4.24 118.16 119.65 2gs6 n LYS 690 Ca 0.17 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.46 2gs6 n LYS 690 Cb 0.72 -0.50 0.27 0.00 -0.02 0.00 0.00 35.03 35.49 2gs6 n LYS 690 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 2gs6 h ILE 691 N 3.52 1.19 -1.17 -0.18 1.08 -0.20 -3.47 117.51 118.27 2gs6 h ILE 691 Ca 0.01 -0.46 0.23 0.00 -0.39 0.00 0.00 64.86 64.24 2gs6 h ILE 691 Cb 0.53 0.35 -0.25 0.00 -3.07 0.00 0.00 36.82 34.38 2gs6 h ILE 691 CO 0.65 0.21 0.88 -1.59 -0.69 0.00 0.00 178.15 177.61 2gs6 s LYS 692 N -5.59 0.16 0.53 2.37 -2.85 -1.00 -5.00 119.74 108.36 2gs6 s LYS 692 Ca -0.10 0.02 -0.21 0.00 -1.00 0.00 0.00 55.97 54.68 2gs6 s LYS 692 Cb 0.17 0.08 -0.05 0.00 -2.06 0.00 0.00 37.83 35.96 2gs6 s LYS 692 CO 0.78 -0.05 1.23 0.08 0.10 0.00 0.00 175.35 177.49 2gs6 s VAL 693 N -1.24 2.67 -0.05 1.79 1.01 -1.26 0.11 120.40 123.43 2gs6 s VAL 693 Ca 0.08 0.47 0.07 0.00 0.00 0.00 0.00 61.98 62.60 2gs6 s VAL 693 Cb -0.01 -3.22 -0.10 0.00 0.00 0.00 0.00 36.38 33.05 2gs6 s VAL 693 CO -0.06 -0.03 0.07 -0.11 0.00 0.00 0.00 175.10 174.97 2gs6 n LEU 694 N -0.99 0.00 0.00 3.92 7.94 0.22 -4.75 117.00 123.34 2gs6 n LEU 694 Ca 0.10 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.00 2gs6 n LEU 694 Cb 0.48 0.12 0.00 0.00 0.53 0.00 0.00 43.42 44.54 2gs6 n LEU 694 CO 0.48 0.12 0.00 0.61 -1.11 0.00 0.00 177.39 177.49 2gs6 n GLY 695 N 2.40 2.76 3.47 -3.96 0.00 -0.69 -4.99 105.19 104.17 2gs6 n GLY 695 Ca -0.08 -0.56 -0.11 0.00 0.00 0.00 0.00 46.02 45.27 2gs6 n GLY 695 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2gs6 s SER 696 N 0.00 -0.40 0.00 1.61 1.04 -1.26 0.13 113.70 114.82 2gs6 s SER 696 Ca 0.00 -0.24 0.00 0.00 0.48 0.00 0.00 55.95 56.19 2gs6 s SER 696 Cb 0.00 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.70 2gs6 s SER 696 CO 0.00 -1.00 0.00 0.61 0.98 0.00 0.00 173.24 173.83 2gs6 n GLY 697 N -0.35 -1.27 2.74 7.32 0.00 -1.04 -4.99 105.19 107.61 2gs6 n GLY 697 Ca -0.14 0.49 -0.38 0.00 0.00 0.00 0.00 46.02 45.98 2gs6 n GLY 697 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gs6 n ALA 698 N 0.00 5.62 0.00 4.61 0.00 -1.26 -4.15 120.51 125.33 2gs6 n ALA 698 Ca 0.00 -4.67 0.00 0.00 0.00 0.00 0.00 53.44 48.77 2gs6 n ALA 698 Cb 0.00 -1.92 0.00 0.00 0.00 0.00 0.00 19.45 17.53 2gs6 n ALA 698 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 2gs6 n PHE 699 N 0.17 0.00 0.00 0.00 -0.00 -1.26 -5.14 117.46 111.23 2gs6 n PHE 699 Ca 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.85 2gs6 n PHE 699 Cb 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.78 2gs6 n PHE 699 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2gs6 n GLY 700 N 0.00 0.25 3.29 4.97 0.00 -1.26 -4.47 105.19 107.98 2gs6 n GLY 700 Ca 0.00 -1.84 -0.27 0.00 0.00 0.00 0.00 46.02 43.91 2gs6 n GLY 700 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2gs6 s THR 701 N 0.00 1.85 -0.23 2.61 2.01 -1.26 -2.49 115.64 118.13 2gs6 s THR 701 Ca 0.00 -1.37 0.01 0.00 0.31 0.00 0.00 61.69 60.64 2gs6 s THR 701 Cb 0.00 -1.62 0.06 0.00 0.01 0.00 0.00 72.50 70.95 2gs6 s THR 701 CO 0.00 0.18 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.36 2gs6 s VAL 702 N -0.90 1.50 0.50 3.82 1.01 0.12 -1.22 120.40 125.23 2gs6 s VAL 702 Ca 0.09 -1.15 0.07 0.00 0.00 0.00 0.00 61.98 61.00 2gs6 s VAL 702 Cb -0.09 -1.74 0.04 0.00 0.00 0.00 0.00 36.38 34.59 2gs6 s VAL 702 CO 0.03 -0.06 0.69 -0.31 0.00 0.00 0.00 175.10 175.45 2gs6 s TYR 703 N 1.42 2.30 -0.06 5.22 1.51 0.08 0.71 117.35 128.53 2gs6 s TYR 703 Ca -0.05 -0.45 0.05 0.00 -1.01 0.00 0.00 57.07 55.61 2gs6 s TYR 703 Cb -0.18 -2.40 -0.01 0.00 -0.11 0.00 0.00 41.96 39.26 2gs6 s TYR 703 CO -0.07 -0.78 -0.22 0.21 -1.11 0.00 0.00 175.55 173.59 2gs6 s LYS 704 N -4.54 2.38 0.16 -0.62 2.20 0.12 -1.82 119.74 117.61 2gs6 s LYS 704 Ca 0.58 -0.80 -0.07 0.00 -0.36 0.00 0.00 55.97 55.32 2gs6 s LYS 704 Cb -0.08 -1.98 0.03 0.00 -1.51 0.00 0.00 37.83 34.28 2gs6 s LYS 704 CO 0.36 0.30 0.38 0.41 -0.36 0.00 0.00 175.35 176.44 2gs6 n GLY 705 N 3.12 1.42 3.49 5.54 0.00 -0.54 0.59 105.19 118.81 2gs6 n GLY 705 Ca -0.18 -1.10 -0.30 0.00 0.00 0.00 0.00 46.02 44.44 2gs6 n GLY 705 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2gs6 s LEU 706 N 0.00 2.73 -0.18 0.99 1.43 -1.26 0.47 118.68 122.86 2gs6 s LEU 706 Ca 0.08 -0.48 -0.02 0.00 -1.03 0.00 0.00 54.13 52.68 2gs6 s LEU 706 Cb -0.02 -1.58 -0.01 0.00 0.03 0.00 0.00 46.19 44.61 2gs6 s LEU 706 CO 0.05 0.21 -0.08 0.86 0.23 0.00 0.00 176.35 177.61 2gs6 s TRP 707 N -1.07 2.90 -0.62 0.29 -0.00 0.66 -2.15 118.94 118.96 2gs6 s TRP 707 Ca 0.17 -0.81 0.05 0.00 -0.00 0.00 0.00 56.10 55.52 2gs6 s TRP 707 Cb -0.11 -1.99 0.19 0.00 -0.00 0.00 0.00 33.47 31.57 2gs6 s TRP 707 CO 0.09 -0.39 0.52 -0.89 -0.00 0.00 0.00 176.95 176.28 2gs6 n ILE 708 N 4.21 1.10 -1.67 5.86 5.41 0.75 -0.99 119.36 134.03 2gs6 n ILE 708 Ca -0.18 -4.62 -0.50 0.00 1.00 0.00 0.00 62.75 58.45 2gs6 n ILE 708 Cb 0.52 -2.06 -0.05 0.00 -0.71 0.00 0.00 39.64 37.34 2gs6 n ILE 708 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 2gs6 n PRO 709 N 1.87 1.79 -1.55 0.38 -0.02 -1.26 -4.83 135.00 131.38 2gs6 n PRO 709 Ca 0.24 0.65 -0.47 0.00 -2.02 0.00 0.00 63.50 61.90 2gs6 n PRO 709 Cb 0.40 -2.41 -0.03 0.00 -0.02 0.00 0.00 33.50 31.44 2gs6 n PRO 709 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2gs6 n GLU 710 N 4.83 1.02 0.00 -0.52 1.02 -1.26 -3.87 120.64 121.86 2gs6 n GLU 710 Ca 0.21 0.36 0.00 0.00 -0.02 0.00 0.00 57.16 57.71 2gs6 n GLU 710 Cb 0.24 -1.71 0.00 0.00 -0.02 0.00 0.00 31.44 29.95 2gs6 n GLU 710 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2gs6 n GLY 711 N 1.62 1.15 2.13 0.62 0.00 -1.26 -5.00 105.19 104.45 2gs6 n GLY 711 Ca 0.13 -0.69 -0.33 0.00 0.00 0.00 0.00 46.02 45.13 2gs6 n GLY 711 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2gs6 n GLU 712 N 0.00 0.00 -2.37 1.61 0.28 -1.25 -4.76 120.64 114.15 2gs6 n GLU 712 Ca 0.00 0.00 -0.43 0.00 -0.16 0.00 0.00 57.16 56.57 2gs6 n GLU 712 Cb 0.00 -0.75 0.00 0.00 1.43 0.00 0.00 31.44 32.12 2gs6 n GLU 712 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 2gs6 n LYS 713 N 0.75 3.33 -4.14 3.44 4.76 -1.26 -4.75 118.16 120.29 2gs6 n LYS 713 Ca 0.12 -3.35 -0.18 0.00 -2.87 0.00 0.00 58.31 52.02 2gs6 n LYS 713 Cb 0.11 -3.11 -0.16 0.00 -1.84 0.00 0.00 35.03 30.03 2gs6 n LYS 713 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2gs6 s VAL 714 N 1.83 0.44 -0.24 -0.18 1.01 -1.26 -4.83 120.40 117.17 2gs6 s VAL 714 Ca 0.44 -0.13 0.02 0.00 0.00 0.00 0.00 61.98 62.32 2gs6 s VAL 714 Cb 0.07 -0.45 0.05 0.00 0.00 0.00 0.00 36.38 36.05 2gs6 s VAL 714 CO -0.01 0.18 -0.13 -0.54 0.00 0.00 0.00 175.10 174.60 2gs6 s LYS 715 N 0.58 2.47 -0.23 2.72 1.02 -0.71 -4.18 119.74 121.39 2gs6 s LYS 715 Ca -0.07 -1.20 -0.07 0.00 0.02 0.00 0.00 55.97 54.65 2gs6 s LYS 715 Cb -0.10 -2.81 -0.03 0.00 -0.52 0.00 0.00 37.83 34.36 2gs6 s LYS 715 CO -0.00 -0.47 0.06 0.42 -0.92 0.00 0.00 175.35 174.44 2gs6 s ILE 716 N 1.16 4.34 0.05 2.17 -1.09 -0.16 -0.87 121.20 126.79 2gs6 s ILE 716 Ca -0.05 -0.17 -0.31 0.00 -2.23 0.00 0.00 60.65 57.90 2gs6 s ILE 716 Cb -0.18 -3.01 -0.07 0.00 -1.58 0.00 0.00 42.46 37.62 2gs6 s ILE 716 CO -0.07 0.36 1.51 -2.84 -1.23 0.00 0.00 174.94 172.67 2gs6 s PRO 717 N 1.37 4.25 0.21 2.79 0.02 -1.26 -0.24 135.00 142.14 2gs6 s PRO 717 Ca 0.05 2.14 -0.00 0.00 0.02 0.00 0.00 61.00 63.21 2gs6 s PRO 717 Cb -0.15 -3.53 -0.04 0.00 0.02 0.00 0.00 34.50 30.80 2gs6 s PRO 717 CO 0.03 -0.63 0.10 0.14 -0.33 0.00 0.00 177.00 176.32 2gs6 s VAL 718 N 2.32 0.24 -0.11 3.83 -7.23 0.18 -2.68 120.40 116.95 2gs6 s VAL 718 Ca 0.68 -1.99 0.03 0.00 -1.81 0.00 0.00 61.98 58.89 2gs6 s VAL 718 Cb -0.36 -2.48 -0.01 0.00 0.56 0.00 0.00 36.38 34.09 2gs6 s VAL 718 CO 0.29 -0.07 -0.21 0.00 -0.31 0.00 0.00 175.10 174.81 2gs6 s ALA 719 N -3.98 2.32 -0.23 1.32 0.00 0.42 -1.47 121.76 120.13 2gs6 s ALA 719 Ca 0.36 -0.95 -0.03 0.00 0.00 0.00 0.00 51.96 51.34 2gs6 s ALA 719 Cb 0.07 -0.93 0.00 0.00 0.00 0.00 0.00 23.12 22.26 2gs6 s ALA 719 CO 0.11 0.28 -0.04 0.42 0.00 0.00 0.00 175.76 176.53 2gs6 s ILE 720 N 0.32 3.26 -0.35 0.00 1.01 -0.76 -1.73 121.20 122.95 2gs6 s ILE 720 Ca -0.16 -0.66 -0.12 0.00 0.00 0.00 0.00 60.65 59.71 2gs6 s ILE 720 Cb -0.17 -2.54 0.01 0.00 0.01 0.00 0.00 42.46 39.76 2gs6 s ILE 720 CO 0.08 0.34 0.21 -0.75 0.00 0.00 0.00 174.94 174.82 2gs6 s LYS 721 N 1.44 3.15 -0.45 2.79 2.20 -0.53 -0.74 119.74 127.61 2gs6 s LYS 721 Ca 0.04 -0.86 0.04 0.00 -0.36 0.00 0.00 55.97 54.83 2gs6 s LYS 721 Cb -0.15 -3.74 0.66 0.00 -1.51 0.00 0.00 37.83 33.09 2gs6 s LYS 721 CO -0.03 -0.57 1.91 -1.91 -0.36 0.00 0.00 175.35 174.39 2gs6 n GLU 722 N 5.04 2.24 -1.68 4.03 2.13 -0.36 -1.66 120.64 130.39 2gs6 n GLU 722 Ca -0.12 -2.98 -0.45 0.00 0.66 0.00 0.00 57.16 54.26 2gs6 n GLU 722 Cb 0.48 -2.17 -0.04 0.00 0.27 0.00 0.00 31.44 29.98 2gs6 n GLU 722 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 2gs6 n LEU 723 N -1.13 3.25 -1.04 4.31 7.94 -1.26 -4.64 117.00 124.43 2gs6 n LEU 723 Ca 0.59 1.09 0.04 0.00 -1.11 0.00 0.00 56.01 56.62 2gs6 n LEU 723 Cb 1.66 -1.45 0.13 0.00 0.53 0.00 0.00 43.42 44.29 2gs6 n LEU 723 CO 0.60 -0.23 0.23 1.07 -1.11 0.00 0.00 177.39 177.95 2gs6 n THR 727 N 3.33 1.33 -2.10 1.96 5.66 -1.26 -4.79 114.28 118.40 2gs6 n THR 727 Ca 0.16 -2.38 -0.29 0.00 -3.05 0.00 0.00 64.05 58.49 2gs6 n THR 727 Cb 0.30 0.26 0.04 0.00 -1.55 0.00 0.00 70.33 69.38 2gs6 n THR 727 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 2gs6 s SER 728 N -2.77 5.46 0.34 1.09 1.04 -1.26 -4.95 113.70 112.66 2gs6 s SER 728 Ca 0.37 0.93 0.02 0.00 0.48 0.00 0.00 55.95 57.75 2gs6 s SER 728 Cb 0.38 -1.80 0.62 0.00 0.10 0.00 0.00 66.02 65.32 2gs6 s SER 728 CO -0.11 -1.25 1.97 -0.65 0.98 0.00 0.00 173.24 174.18 2gs6 h PRO 729 N -0.47 0.76 -0.24 4.02 0.11 -2.02 -2.81 132.00 131.35 2gs6 h PRO 729 Ca -0.45 -0.08 -0.00 0.00 0.11 0.00 0.00 66.00 65.58 2gs6 h PRO 729 Cb 1.26 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 2gs6 h PRO 729 CO 0.62 0.56 0.15 -0.22 -0.21 0.00 0.00 178.00 178.90 2gs6 h LYS 730 N 0.76 0.32 0.22 1.05 3.64 -1.98 -0.03 116.57 120.55 2gs6 h LYS 730 Ca 0.20 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 2gs6 h LYS 730 Cb 0.03 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.77 2gs6 h LYS 730 CO -0.03 0.25 -0.21 0.00 -2.27 0.00 0.00 179.45 177.18 2gs6 h ALA 731 N 1.05 -0.44 -0.06 5.00 0.00 -1.89 -1.56 119.26 121.36 2gs6 h ALA 731 Ca 0.09 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 54.96 2gs6 h ALA 731 Cb 0.01 0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 2gs6 h ALA 731 CO -0.02 -0.77 -0.10 -0.91 0.00 0.00 0.00 179.25 177.45 2gs6 h ASN 732 N -0.46 -0.30 -0.34 0.00 -0.26 -1.36 0.32 115.58 113.17 2gs6 h ASN 732 Ca -0.00 0.05 0.10 0.00 -0.56 0.00 0.00 56.30 55.89 2gs6 h ASN 732 Cb 0.43 0.14 -0.01 0.00 -1.06 0.00 0.00 38.32 37.81 2gs6 h ASN 732 CO -0.04 -0.14 0.29 0.50 -1.06 0.00 0.00 177.43 176.97 2gs6 h LYS 733 N -0.14 0.00 0.17 0.81 3.11 -0.86 -1.40 116.57 118.26 2gs6 h LYS 733 Ca 0.06 0.00 -0.34 0.00 -2.81 0.00 0.00 60.65 57.55 2gs6 h LYS 733 Cb 0.23 0.00 0.01 0.00 -1.00 0.00 0.00 32.23 31.46 2gs6 h LYS 733 CO -0.14 0.00 -1.72 0.93 -2.81 0.00 0.00 179.45 175.70 2gs6 h GLU 734 N 0.00 0.36 0.00 1.90 5.08 -0.20 -3.02 114.58 118.71 2gs6 h GLU 734 Ca 0.16 -0.62 -0.04 0.00 -1.00 0.00 0.00 59.36 57.86 2gs6 h GLU 734 Cb 0.73 0.23 -0.01 0.00 0.50 0.00 0.00 28.75 30.21 2gs6 h GLU 734 CO -0.00 1.27 -0.18 0.97 -1.00 0.00 0.00 179.01 180.07 2gs6 h ILE 735 N 0.10 0.43 0.06 3.13 2.10 -0.54 -2.66 117.51 120.14 2gs6 h ILE 735 Ca -0.33 -1.05 -0.26 0.00 1.08 0.00 0.00 64.86 64.30 2gs6 h ILE 735 Cb 2.09 1.76 0.01 0.00 -1.09 0.00 0.00 36.82 39.59 2gs6 h ILE 735 CO 0.17 0.18 -1.10 -0.07 -1.08 0.00 0.00 178.15 176.25 2gs6 h LEU 736 N 0.00 0.63 -1.49 2.19 -0.00 -1.38 -2.15 115.31 113.11 2gs6 h LEU 736 Ca -0.00 -0.56 -0.01 0.00 -0.00 0.00 0.00 57.88 57.31 2gs6 h LEU 736 Cb 0.75 -0.20 -0.02 0.00 -0.00 0.00 0.00 40.66 41.19 2gs6 h LEU 736 CO 0.02 1.38 0.25 0.44 -0.00 0.00 0.00 178.44 180.54 2gs6 h ASP 737 N 0.22 0.52 0.03 -0.43 3.32 -1.37 -0.62 116.42 118.10 2gs6 h ASP 737 Ca -0.13 -0.03 -0.00 0.00 0.02 0.00 0.00 57.03 56.89 2gs6 h ASP 737 Cb 1.77 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 41.19 2gs6 h ASP 737 CO 0.20 0.42 -0.01 -0.08 -1.72 0.00 0.00 179.24 178.04 2gs6 h GLU 738 N 0.60 -0.04 -0.32 3.56 4.81 -1.37 -2.83 114.58 118.99 2gs6 h GLU 738 Ca 0.16 0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.44 2gs6 h GLU 738 Cb -0.00 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.37 2gs6 h GLU 738 CO -0.03 0.39 0.22 0.00 -0.73 0.00 0.00 179.01 178.86 2gs6 h ALA 739 N 0.47 2.04 -0.13 2.92 0.00 -0.93 -0.44 119.26 123.19 2gs6 h ALA 739 Ca -0.00 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.90 2gs6 h ALA 739 Cb 0.45 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2gs6 h ALA 739 CO 0.01 -0.10 0.06 -0.92 0.00 0.00 0.00 179.25 178.30 2gs6 h TYR 740 N 0.21 0.12 0.37 0.00 5.03 -0.94 0.12 116.97 121.87 2gs6 h TYR 740 Ca 0.14 0.01 -0.02 0.00 2.58 0.00 0.00 58.73 61.44 2gs6 h TYR 740 Cb 0.30 -0.03 0.00 0.00 1.55 0.00 0.00 36.73 38.55 2gs6 h TYR 740 CO -0.00 0.07 -0.18 0.28 -1.32 0.00 0.00 178.16 177.01 2gs6 h VAL 741 N 0.14 0.61 -0.82 1.81 2.07 -0.91 -2.77 116.25 116.38 2gs6 h VAL 741 Ca 0.05 -0.43 0.12 0.00 0.82 0.00 0.00 66.70 67.26 2gs6 h VAL 741 Cb 0.01 0.82 -0.08 0.00 -1.52 0.00 0.00 31.29 30.51 2gs6 h VAL 741 CO -0.03 0.08 0.43 0.24 0.02 0.00 0.00 177.57 178.31 2gs6 h MET 742 N -0.75 0.66 0.00 1.57 2.86 -1.07 0.36 114.93 118.56 2gs6 h MET 742 Ca -0.05 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.55 2gs6 h MET 742 Cb 0.51 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 32.02 2gs6 h MET 742 CO 0.08 0.44 0.00 0.00 1.06 0.00 0.00 176.91 178.49 2gs6 h ALA 743 N 1.50 1.00 -0.02 6.32 0.00 -0.73 -2.70 119.26 124.63 2gs6 h ALA 743 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.33 2gs6 h ALA 743 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2gs6 h ALA 743 CO -0.30 0.00 -0.13 0.43 0.00 0.00 0.00 179.25 179.24 2gs6 n SER 744 N -2.41 1.97 -4.29 0.00 7.64 0.12 -4.56 113.62 112.10 2gs6 n SER 744 Ca 0.01 -1.54 -0.27 0.00 1.01 0.00 0.00 58.87 58.07 2gs6 n SER 744 Cb 0.17 0.11 -0.14 0.00 -1.01 0.00 0.00 64.21 63.34 2gs6 n SER 744 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 2gs6 s VAL 745 N -2.18 1.87 -0.24 0.44 -7.23 -1.02 -5.04 120.40 107.00 2gs6 s VAL 745 Ca 0.29 -1.30 -0.03 0.00 -1.81 0.00 0.00 61.98 59.13 2gs6 s VAL 745 Cb 0.20 -1.62 0.11 0.00 0.56 0.00 0.00 36.38 35.63 2gs6 s VAL 745 CO 0.40 0.26 0.24 -0.62 -0.31 0.00 0.00 175.10 175.07 2gs6 s ASP 746 N -1.24 1.70 -0.12 4.85 2.15 -1.26 -4.89 116.67 117.85 2gs6 s ASP 746 Ca 0.09 -0.52 -0.29 0.00 0.43 0.00 0.00 52.55 52.26 2gs6 s ASP 746 Cb -0.09 0.36 0.07 0.00 -0.30 0.00 0.00 42.92 42.96 2gs6 s ASP 746 CO 0.02 -0.36 0.70 0.21 -0.17 0.00 0.00 175.17 175.57 2gs6 s ASN 747 N 2.32 -0.68 0.58 -0.34 3.84 -1.26 -5.04 114.94 114.36 2gs6 s ASN 747 Ca 0.08 0.92 0.28 0.00 0.21 0.00 0.00 52.86 54.35 2gs6 s ASN 747 Cb -0.15 0.80 1.52 0.00 -0.55 0.00 0.00 41.25 42.86 2gs6 s ASN 747 CO -0.22 -0.50 1.97 -0.65 -2.79 0.00 0.00 177.10 174.91 2gs6 h PRO 748 N 3.56 0.00 -0.34 0.43 0.11 -1.99 -2.12 132.00 131.65 2gs6 h PRO 748 Ca -0.27 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.82 2gs6 h PRO 748 Cb 1.15 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 2gs6 h PRO 748 CO 0.29 0.00 0.01 0.72 -0.21 0.00 0.00 178.00 178.81 2gs6 n HIS 749 N -3.87 1.20 -4.99 0.65 8.25 -1.26 -4.81 115.22 110.38 2gs6 n HIS 749 Ca 0.07 -0.90 -0.29 0.00 -0.26 0.00 0.00 57.72 56.34 2gs6 n HIS 749 Cb 0.56 -0.37 -0.17 0.00 1.12 0.00 0.00 29.99 31.14 2gs6 n HIS 749 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2gs6 s VAL 750 N -2.85 1.70 0.25 1.59 1.01 -0.80 0.09 120.40 121.39 2gs6 s VAL 750 Ca 0.45 -0.83 -0.31 0.00 0.00 0.00 0.00 61.98 61.29 2gs6 s VAL 750 Cb 0.36 -1.48 -0.13 0.00 0.00 0.00 0.00 36.38 35.14 2gs6 s VAL 750 CO 0.10 0.48 1.49 0.00 0.00 0.00 0.00 175.10 177.17 2gs6 s ARG 752 N -0.26 4.12 -0.17 0.00 1.70 -1.26 -5.00 118.95 118.08 2gs6 s ARG 752 Ca 0.68 0.58 -0.14 0.00 -0.47 0.00 0.00 55.73 56.38 2gs6 s ARG 752 Cb -0.60 -3.26 -0.05 0.00 -0.57 0.00 0.00 34.95 30.47 2gs6 s ARG 752 CO 0.48 0.58 0.29 -1.17 -1.08 0.00 0.00 175.30 174.39 2gs6 s LEU 753 N -0.80 4.23 -0.01 -1.89 2.96 -1.26 -2.62 118.68 119.29 2gs6 s LEU 753 Ca 0.27 0.49 0.16 0.00 -0.22 0.00 0.00 54.13 54.83 2gs6 s LEU 753 Cb -0.18 -2.37 -0.19 0.00 0.50 0.00 0.00 46.19 43.96 2gs6 s LEU 753 CO 0.16 0.09 0.66 0.18 -1.32 0.00 0.00 176.35 176.11 2gs6 n LEU 754 N 3.64 0.69 0.00 -0.68 4.77 0.28 -4.93 117.00 120.78 2gs6 n LEU 754 Ca -0.12 0.31 0.00 0.00 -0.03 0.00 0.00 56.01 56.18 2gs6 n LEU 754 Cb 0.52 0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.76 2gs6 n LEU 754 CO 0.40 0.25 0.00 0.61 -1.33 0.00 0.00 177.39 177.31 2gs6 n GLY 755 N 1.48 -0.78 3.30 -0.72 0.00 -1.15 -4.64 105.19 102.67 2gs6 n GLY 755 Ca -0.14 -1.46 -0.16 0.00 0.00 0.00 0.00 46.02 44.25 2gs6 n GLY 755 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2gs6 s ILE 756 N -2.52 1.12 -0.14 -0.61 -4.36 -0.31 -0.99 121.20 113.39 2gs6 s ILE 756 Ca 0.00 -2.05 0.01 0.00 -0.26 0.00 0.00 60.65 58.35 2gs6 s ILE 756 Cb 0.00 -2.12 0.02 0.00 1.25 0.00 0.00 42.46 41.61 2gs6 s ILE 756 CO 0.00 -0.52 -0.16 0.00 0.24 0.00 0.00 174.94 174.51 2gs6 s LEU 758 N 1.28 5.18 0.40 0.00 1.43 -1.26 -1.96 118.68 123.75 2gs6 s LEU 758 Ca 0.01 -2.63 0.04 0.00 -1.03 0.00 0.00 54.13 50.52 2gs6 s LEU 758 Cb -0.14 -2.38 -0.04 0.00 0.03 0.00 0.00 46.19 43.66 2gs6 s LEU 758 CO -0.08 -0.85 0.07 0.42 0.23 0.00 0.00 176.35 176.15 2gs6 s THR 759 N 1.84 1.02 0.00 5.49 -4.23 -1.26 -4.98 115.64 113.51 2gs6 s THR 759 Ca 0.37 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.88 2gs6 s THR 759 Cb -0.04 -2.51 0.00 0.00 1.34 0.00 0.00 72.50 71.29 2gs6 s THR 759 CO -0.05 0.00 0.00 -1.20 -0.54 0.00 0.00 174.62 172.83 2gs6 n SER 760 N -1.08 0.00 -3.96 3.99 7.64 -1.26 -3.50 113.62 115.45 2gs6 n SER 760 Ca -0.07 0.00 -0.17 0.00 1.01 0.00 0.00 58.87 59.63 2gs6 n SER 760 Cb 0.66 0.00 -0.15 0.00 -1.01 0.00 0.00 64.21 63.71 2gs6 n SER 760 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2gs6 s THR 761 N -1.96 0.51 0.09 0.44 -1.32 -1.26 -5.01 115.64 107.14 2gs6 s THR 761 Ca 0.00 -0.24 -0.34 0.00 -1.21 0.00 0.00 61.69 59.90 2gs6 s THR 761 Cb 0.00 -0.46 -0.13 0.00 -1.51 0.00 0.00 72.50 70.40 2gs6 s THR 761 CO 0.00 0.16 1.67 0.52 -2.21 0.00 0.00 174.62 174.76 2gs6 n VAL 762 N 3.17 0.17 -4.25 5.08 0.31 -1.23 -4.90 118.33 116.69 2gs6 n VAL 762 Ca -0.16 -0.03 -0.34 0.00 -0.01 0.00 0.00 64.34 63.80 2gs6 n VAL 762 Cb 0.56 -1.66 -0.12 0.00 -0.91 0.00 0.00 33.84 31.71 2gs6 n VAL 762 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 2gs6 s GLN 763 N 1.83 3.69 -0.08 5.55 -0.21 -0.83 -4.23 119.66 125.39 2gs6 s GLN 763 Ca 0.83 -0.50 -0.19 0.00 0.02 0.00 0.00 55.36 55.52 2gs6 s GLN 763 Cb -0.67 -3.00 -0.05 0.00 1.00 0.00 0.00 33.01 30.30 2gs6 s GLN 763 CO 0.41 0.17 0.52 -0.51 -2.12 0.00 0.00 175.29 173.76 2gs6 s LEU 764 N 0.56 4.33 -0.20 2.90 1.43 -0.66 -1.06 118.68 125.98 2gs6 s LEU 764 Ca -0.02 0.93 -0.03 0.00 -1.03 0.00 0.00 54.13 53.99 2gs6 s LEU 764 Cb -0.14 -2.77 -0.01 0.00 0.03 0.00 0.00 46.19 43.30 2gs6 s LEU 764 CO 0.02 0.04 -0.06 -0.63 0.23 0.00 0.00 176.35 175.96 2gs6 s ILE 765 N 0.31 3.36 0.21 -0.59 1.09 -0.16 -1.45 121.20 123.95 2gs6 s ILE 765 Ca 0.28 -0.51 0.02 0.00 -1.10 0.00 0.00 60.65 59.34 2gs6 s ILE 765 Cb -0.16 -2.50 -0.05 0.00 -1.06 0.00 0.00 42.46 38.69 2gs6 s ILE 765 CO 0.13 0.45 0.01 0.42 -0.10 0.00 0.00 174.94 175.85 2gs6 s THR 766 N 1.20 0.79 0.24 2.92 -4.23 -0.71 -0.55 115.64 115.30 2gs6 s THR 766 Ca 0.02 -2.00 -0.30 0.00 -1.18 0.00 0.00 61.69 58.23 2gs6 s THR 766 Cb -0.14 -2.28 -0.11 0.00 1.34 0.00 0.00 72.50 71.31 2gs6 s THR 766 CO -0.01 -0.34 1.54 -1.58 -0.54 0.00 0.00 174.62 173.68 2gs6 s GLN 767 N -3.91 4.20 0.03 3.99 0.74 -1.08 -0.43 119.66 123.20 2gs6 s GLN 767 Ca 0.28 2.43 -0.30 0.00 0.05 0.00 0.00 55.36 57.81 2gs6 s GLN 767 Cb 0.06 -3.09 -0.05 0.00 1.10 0.00 0.00 33.01 31.03 2gs6 s GLN 767 CO 0.07 -0.55 1.22 -1.17 -0.55 0.00 0.00 175.29 174.31 2gs6 s LEU 768 N 0.01 4.35 -0.65 3.68 2.96 -1.09 -4.56 118.68 123.38 2gs6 s LEU 768 Ca 0.64 1.99 -0.06 0.00 -0.22 0.00 0.00 54.13 56.47 2gs6 s LEU 768 Cb -0.45 -3.57 0.17 0.00 0.50 0.00 0.00 46.19 42.84 2gs6 s LEU 768 CO 0.41 -0.52 0.50 -0.04 -1.32 0.00 0.00 176.35 175.38 2gs6 s MET 769 N 1.44 2.78 0.51 1.98 -1.94 -1.26 -4.93 119.30 117.88 2gs6 s MET 769 Ca 0.59 -2.39 0.40 0.00 -1.71 0.00 0.00 55.69 52.58 2gs6 s MET 769 Cb -0.29 -3.92 1.59 0.00 2.01 0.00 0.00 34.83 34.22 2gs6 s MET 769 CO 0.27 -1.20 1.64 -1.35 -0.01 0.00 0.00 175.02 174.37 2gs6 h PRO 770 N 7.43 0.04 -0.61 2.03 0.11 -1.79 -1.46 132.00 137.75 2gs6 h PRO 770 Ca -0.02 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.09 2gs6 h PRO 770 Cb 0.99 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.09 2gs6 h PRO 770 CO 0.74 0.02 0.00 1.19 -0.21 0.00 0.00 178.00 179.75 2gs6 n PHE 771 N -4.25 1.22 -4.65 0.65 3.01 -1.07 -5.08 117.46 107.29 2gs6 n PHE 771 Ca 0.38 -0.59 0.00 0.00 1.01 0.00 0.00 57.45 58.25 2gs6 n PHE 771 Cb 1.65 -0.17 0.00 0.00 -0.01 0.00 0.00 39.48 40.96 2gs6 n PHE 771 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2gs6 n GLY 772 N 1.08 -0.04 3.76 1.37 0.00 -0.55 -4.67 105.19 106.14 2gs6 n GLY 772 Ca 0.24 -1.01 -0.39 0.00 0.00 0.00 0.00 46.02 44.85 2gs6 n GLY 772 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gs6 h LEU 774 N 3.61 0.78 -0.16 0.00 5.85 -0.04 -1.80 115.31 123.55 2gs6 h LEU 774 Ca -0.46 0.09 0.05 0.00 0.84 0.00 0.00 57.88 58.40 2gs6 h LEU 774 Cb 1.20 -0.05 -0.06 0.00 0.37 0.00 0.00 40.66 42.12 2gs6 h LEU 774 CO 0.66 0.30 -0.23 0.25 -0.34 0.00 0.00 178.44 179.09 2gs6 h LEU 775 N 0.78 -0.72 -1.02 2.25 5.85 -1.77 0.04 115.31 120.72 2gs6 h LEU 775 Ca 0.55 0.12 -0.07 0.00 0.84 0.00 0.00 57.88 59.33 2gs6 h LEU 775 Cb 0.81 0.33 -0.02 0.00 0.37 0.00 0.00 40.66 42.14 2gs6 h LEU 775 CO -0.36 -0.28 -0.02 0.44 -0.34 0.00 0.00 178.44 177.88 2gs6 h ASP 776 N -0.27 0.64 -0.58 1.25 3.45 -1.73 -2.44 116.42 116.73 2gs6 h ASP 776 Ca 0.11 -0.15 -0.09 0.00 0.43 0.00 0.00 57.03 57.34 2gs6 h ASP 776 Cb 0.44 -0.17 -0.02 0.00 -0.56 0.00 0.00 39.33 39.02 2gs6 h ASP 776 CO -0.32 0.73 0.04 0.22 -1.57 0.00 0.00 179.24 178.33 2gs6 h TYR 777 N 0.63 1.11 0.00 4.55 5.03 -0.49 -0.12 116.97 127.68 2gs6 h TYR 777 Ca 0.13 -0.17 -0.17 0.00 2.58 0.00 0.00 58.73 61.10 2gs6 h TYR 777 Cb 0.43 -0.30 -0.02 0.00 1.55 0.00 0.00 36.73 38.39 2gs6 h TYR 777 CO 0.02 0.97 -0.79 -0.39 -1.32 0.00 0.00 178.16 176.64 2gs6 h VAL 778 N 0.95 1.44 -0.30 1.81 -1.51 -0.91 -2.41 116.25 115.31 2gs6 h VAL 778 Ca 0.18 -2.84 -0.16 0.00 -1.23 0.00 0.00 66.70 62.65 2gs6 h VAL 778 Cb 0.50 2.59 -0.01 0.00 -2.13 0.00 0.00 31.29 32.24 2gs6 h VAL 778 CO 0.02 0.78 -0.44 0.03 -1.23 0.00 0.00 177.57 176.73 2gs6 h ARG 779 N 0.00 0.78 0.00 5.19 3.08 -1.20 -1.61 114.38 120.62 2gs6 h ARG 779 Ca -0.01 -0.43 0.00 0.00 0.07 0.00 0.00 59.98 59.61 2gs6 h ARG 779 Cb 1.52 0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.60 2gs6 h ARG 779 CO 0.10 1.06 0.00 1.49 -1.07 0.00 0.00 179.97 181.56 2gs6 h GLU 780 N 0.63 0.00 -0.32 0.04 4.81 -0.97 -3.31 114.58 115.46 2gs6 h GLU 780 Ca 0.04 0.00 -0.25 0.00 -0.13 0.00 0.00 59.36 59.02 2gs6 h GLU 780 Cb 1.01 0.00 -0.31 0.00 0.63 0.00 0.00 28.75 30.08 2gs6 h GLU 780 CO 0.10 0.00 -0.87 0.72 -0.73 0.00 0.00 179.01 178.22 2gs6 n HIS 781 N -3.08 1.08 -0.33 0.92 8.25 -0.91 -4.88 115.22 116.27 2gs6 n HIS 781 Ca 0.02 -1.64 0.00 0.00 -0.26 0.00 0.00 57.72 55.85 2gs6 n HIS 781 Cb 0.43 -0.25 0.07 0.00 1.12 0.00 0.00 29.99 31.36 2gs6 n HIS 781 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 2gs6 h LYS 782 N 1.75 -0.03 -0.27 -0.41 1.57 -1.39 0.30 116.57 118.08 2gs6 h LYS 782 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2gs6 h LYS 782 Cb 1.42 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.74 2gs6 h LYS 782 CO 0.28 -0.02 0.00 -0.25 -0.57 0.00 0.00 179.45 178.89 2gs6 n ASP 783 N -5.51 0.27 0.00 0.86 8.00 -1.26 -2.70 116.55 116.22 2gs6 n ASP 783 Ca 0.11 -0.92 0.00 0.00 0.71 0.00 0.00 54.79 54.69 2gs6 n ASP 783 Cb 0.42 -0.14 0.00 0.00 -0.02 0.00 0.00 41.12 41.38 2gs6 n ASP 783 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2gs6 n ASN 784 N -0.04 0.00 -4.57 -2.24 3.02 0.10 -4.96 115.26 106.57 2gs6 n ASN 784 Ca 0.00 -1.00 -0.43 0.00 -0.03 0.00 0.00 54.58 53.12 2gs6 n ASN 784 Cb 0.07 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.20 2gs6 n ASN 784 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2gs6 s ILE 785 N 0.00 4.53 0.56 2.41 -1.09 -1.07 -4.11 121.20 122.43 2gs6 s ILE 785 Ca 0.00 0.81 -0.01 0.00 -2.23 0.00 0.00 60.65 59.22 2gs6 s ILE 785 Cb 0.00 -4.38 0.03 0.00 -1.58 0.00 0.00 42.46 36.52 2gs6 s ILE 785 CO 0.00 -0.73 0.81 -0.83 -1.23 0.00 0.00 174.94 172.96 2gs6 s GLY 786 N 2.14 1.71 0.31 6.18 0.00 -1.26 -4.97 107.32 111.43 2gs6 s GLY 786 Ca 0.36 -1.11 -0.00 0.00 0.00 0.00 0.00 44.72 43.97 2gs6 s GLY 786 CO 0.24 -0.83 1.91 1.48 0.00 0.00 0.00 173.10 175.90 2gs6 h SER 787 N -0.00 0.78 -0.42 1.64 4.64 -1.91 -2.66 113.55 115.61 2gs6 h SER 787 Ca -0.44 -0.08 0.01 0.00 -0.47 0.00 0.00 61.79 60.81 2gs6 h SER 787 Cb 1.28 -0.20 -0.03 0.00 -0.31 0.00 0.00 62.40 63.15 2gs6 h SER 787 CO 0.56 0.67 0.26 -0.61 -0.87 0.00 0.00 176.83 176.83 2gs6 h GLN 788 N 0.86 0.51 -0.08 4.77 5.75 -1.94 -1.06 115.11 123.92 2gs6 h GLN 788 Ca 0.21 -0.03 -0.01 0.00 -0.15 0.00 0.00 58.65 58.68 2gs6 h GLN 788 Cb 0.10 -0.11 -0.00 0.00 1.07 0.00 0.00 27.48 28.53 2gs6 h GLN 788 CO -0.03 0.34 0.03 1.88 -2.65 0.00 0.00 178.83 178.40 2gs6 h TYR 789 N 0.52 0.12 0.34 3.99 0.05 -1.90 -2.44 116.97 117.67 2gs6 h TYR 789 Ca 0.16 -0.01 -0.00 0.00 0.05 0.00 0.00 58.73 58.93 2gs6 h TYR 789 Cb -0.02 -0.04 -0.03 0.00 1.01 0.00 0.00 36.73 37.65 2gs6 h TYR 789 CO -0.06 0.27 -0.49 -0.07 -1.05 0.00 0.00 178.16 176.75 2gs6 h LEU 790 N -0.05 -1.39 -0.85 3.88 3.38 -1.25 -0.28 115.31 118.74 2gs6 h LEU 790 Ca 0.03 0.13 0.09 0.00 0.09 0.00 0.00 57.88 58.21 2gs6 h LEU 790 Cb 0.20 0.48 -0.07 0.00 0.09 0.00 0.00 40.66 41.36 2gs6 h LEU 790 CO -0.00 -0.61 0.51 -0.07 0.09 0.00 0.00 178.44 178.36 2gs6 h LEU 791 N -0.88 0.75 -0.96 1.67 3.38 -1.24 -0.97 115.31 117.06 2gs6 h LEU 791 Ca -0.03 0.04 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 2gs6 h LEU 791 Cb 0.81 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 2gs6 h LEU 791 CO -0.15 0.44 -0.35 0.78 0.09 0.00 0.00 178.44 179.26 2gs6 h ASN 792 N 0.87 0.33 -0.65 -0.43 4.21 -1.19 -0.82 115.58 117.91 2gs6 h ASN 792 Ca 0.40 -0.13 -0.03 0.00 1.21 0.00 0.00 56.30 57.76 2gs6 h ASN 792 Cb 0.31 -0.09 -0.03 0.00 -1.12 0.00 0.00 38.32 37.39 2gs6 h ASN 792 CO -0.22 0.66 0.31 -0.50 -1.29 0.00 0.00 177.43 176.39 2gs6 h TRP 793 N 0.28 0.94 -0.77 1.19 6.55 0.11 0.24 115.95 124.49 2gs6 h TRP 793 Ca 0.03 -0.05 0.04 0.00 0.95 0.00 0.00 58.89 59.86 2gs6 h TRP 793 Cb 0.75 -0.29 -0.05 0.00 -0.86 0.00 0.00 29.16 28.71 2gs6 h TRP 793 CO 0.02 0.71 0.48 0.00 -1.05 0.00 0.00 178.44 178.60 2gs6 h VAL 795 N 0.92 1.19 -0.46 0.00 2.07 -0.49 -1.95 116.25 117.52 2gs6 h VAL 795 Ca 0.31 -0.56 0.05 0.00 0.82 0.00 0.00 66.70 67.33 2gs6 h VAL 795 Cb 0.05 1.55 -0.05 0.00 -1.52 0.00 0.00 31.29 31.32 2gs6 h VAL 795 CO -0.13 0.15 0.20 1.56 0.02 0.00 0.00 177.57 179.37 2gs6 h GLN 796 N -0.21 0.39 -0.77 1.57 4.20 -0.03 -0.17 115.11 120.09 2gs6 h GLN 796 Ca 0.00 -0.02 -0.04 0.00 0.06 0.00 0.00 58.65 58.65 2gs6 h GLN 796 Cb 0.24 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.89 2gs6 h GLN 796 CO 0.00 0.26 0.32 0.82 -0.67 0.00 0.00 178.83 179.56 2gs6 h ILE 797 N 0.40 1.26 -0.77 2.54 2.04 -0.62 -1.13 117.51 121.23 2gs6 h ILE 797 Ca 0.21 -0.80 -0.03 0.00 1.00 0.00 0.00 64.86 65.24 2gs6 h ILE 797 Cb 0.16 0.33 -0.03 0.00 -0.74 0.00 0.00 36.82 36.54 2gs6 h ILE 797 CO -0.18 0.33 0.35 0.00 0.00 0.00 0.00 178.15 178.65 2gs6 h ALA 798 N 1.16 1.00 -0.47 1.87 0.00 -0.64 -0.62 119.26 121.57 2gs6 h ALA 798 Ca 0.26 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2gs6 h ALA 798 Cb 0.20 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 2gs6 h ALA 798 CO -0.02 0.58 0.25 0.87 0.00 0.00 0.00 179.25 180.93 2gs6 h LYS 799 N 1.10 0.66 0.28 0.00 1.57 -0.60 0.39 116.57 119.96 2gs6 h LYS 799 Ca 0.26 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 2gs6 h LYS 799 Cb 0.15 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 2gs6 h LYS 799 CO -0.03 0.53 -0.27 0.78 -0.57 0.00 0.00 179.45 179.89 2gs6 h GLY 800 N 0.62 -0.61 1.01 3.86 0.00 -0.72 -0.34 103.07 106.89 2gs6 h GLY 800 Ca 0.16 0.31 -0.01 0.00 0.00 0.00 0.00 47.33 47.79 2gs6 h GLY 800 CO -0.03 -0.24 0.49 -0.33 0.00 0.00 0.00 176.54 176.43 2gs6 h MET 801 N -0.57 1.14 -0.78 4.80 2.86 -0.90 -0.27 114.93 121.20 2gs6 h MET 801 Ca -0.01 -0.11 0.06 0.00 -2.06 0.00 0.00 59.70 57.57 2gs6 h MET 801 Cb 0.52 -0.24 -0.06 0.00 0.06 0.00 0.00 31.60 31.89 2gs6 h MET 801 CO -0.05 0.82 0.47 -0.97 1.06 0.00 0.00 176.91 178.24 2gs6 h ASN 802 N 1.15 0.74 0.22 1.22 -1.24 0.08 0.18 115.58 117.93 2gs6 h ASN 802 Ca 0.30 0.02 -0.00 0.00 0.71 0.00 0.00 56.30 57.32 2gs6 h ASN 802 Cb -0.02 -0.14 -0.01 0.00 0.73 0.00 0.00 38.32 38.88 2gs6 h ASN 802 CO -0.05 0.48 -0.16 0.22 -1.29 0.00 0.00 177.43 176.63 2gs6 h TYR 803 N 0.88 -0.41 -0.96 0.67 3.20 -0.16 -2.04 116.97 118.14 2gs6 h TYR 803 Ca 0.34 -0.00 0.20 0.00 3.14 0.00 0.00 58.73 62.41 2gs6 h TYR 803 Cb 0.15 0.15 -0.09 0.00 1.54 0.00 0.00 36.73 38.49 2gs6 h TYR 803 CO -0.05 -0.25 0.61 -0.07 -1.64 0.00 0.00 178.16 176.77 2gs6 h LEU 804 N -0.38 0.59 -1.01 2.82 3.38 0.22 0.11 115.31 121.03 2gs6 h LEU 804 Ca -0.01 0.07 -0.09 0.00 0.09 0.00 0.00 57.88 57.93 2gs6 h LEU 804 Cb 0.33 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 2gs6 h LEU 804 CO -0.00 0.22 -0.27 -0.08 0.09 0.00 0.00 178.44 178.40 2gs6 h GLU 805 N 0.58 0.38 -0.39 1.13 4.81 -0.02 -1.00 114.58 120.06 2gs6 h GLU 805 Ca 0.52 -0.14 -0.05 0.00 -0.13 0.00 0.00 59.36 59.56 2gs6 h GLU 805 Cb 1.06 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.40 2gs6 h GLU 805 CO -0.27 0.62 0.06 -0.44 -0.73 0.00 0.00 179.01 178.26 2gs6 h ASP 806 N 0.33 0.63 0.15 1.04 3.45 -0.27 -0.05 116.42 121.70 2gs6 h ASP 806 Ca 0.05 -0.26 0.00 0.00 0.43 0.00 0.00 57.03 57.25 2gs6 h ASP 806 Cb 0.66 -0.17 0.00 0.00 -0.56 0.00 0.00 39.33 39.26 2gs6 h ASP 806 CO 0.05 0.73 0.00 0.54 -1.57 0.00 0.00 179.24 178.99 2gs6 n ARG 807 N -4.53 0.11 -3.17 3.56 5.12 -0.89 -4.81 116.66 112.05 2gs6 n ARG 807 Ca -0.01 0.22 -0.15 0.00 -1.93 0.00 0.00 57.85 55.98 2gs6 n ARG 807 Cb 0.23 -1.50 0.07 0.00 -1.16 0.00 0.00 32.46 30.10 2gs6 n ARG 807 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 2gs6 n ARG 808 N -1.29 -5.40 -4.87 5.56 1.74 -0.03 -4.85 116.66 107.51 2gs6 n ARG 808 Ca 0.04 0.65 -0.31 0.00 -0.77 0.00 0.00 57.85 57.46 2gs6 n ARG 808 Cb 0.06 -5.09 -0.17 0.00 -1.02 0.00 0.00 32.46 26.25 2gs6 n ARG 808 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 2gs6 s LEU 809 N -5.49 1.99 -0.33 0.55 0.20 -0.41 -1.21 118.68 113.97 2gs6 s LEU 809 Ca 0.14 -0.52 -0.12 0.00 0.69 0.00 0.00 54.13 54.31 2gs6 s LEU 809 Cb -0.06 -1.31 -0.02 0.00 -0.43 0.00 0.00 46.19 44.37 2gs6 s LEU 809 CO 0.56 0.10 0.23 -0.69 -0.29 0.00 0.00 176.35 176.26 2gs6 s VAL 810 N 0.62 5.22 0.18 1.68 1.01 -0.15 -4.27 120.40 124.69 2gs6 s VAL 810 Ca -0.13 -0.19 -0.09 0.00 0.00 0.00 0.00 61.98 61.58 2gs6 s VAL 810 Cb -0.17 -3.66 0.05 0.00 0.00 0.00 0.00 36.38 32.61 2gs6 s VAL 810 CO 0.04 0.03 1.62 -0.74 0.00 0.00 0.00 175.10 176.05 2gs6 h HIS 811 N 8.46 1.13 0.00 5.22 2.76 -1.91 -1.47 115.15 129.34 2gs6 h HIS 811 Ca -0.32 -0.22 0.00 0.00 -2.20 0.00 0.00 60.37 57.63 2gs6 h HIS 811 Cb 1.16 -0.29 0.00 0.00 1.55 0.00 0.00 27.41 29.83 2gs6 h HIS 811 CO 0.67 1.03 0.00 0.54 -1.30 0.00 0.00 177.93 178.88 2gs6 n ARG 812 N -4.16 -0.33 -2.20 5.26 1.74 -1.26 -3.18 116.66 112.53 2gs6 n ARG 812 Ca 0.02 0.08 -0.01 0.00 -0.77 0.00 0.00 57.85 57.17 2gs6 n ARG 812 Cb 0.38 -4.40 0.05 0.00 -1.02 0.00 0.00 32.46 27.47 2gs6 n ARG 812 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2gs6 n ASP 813 N -0.17 0.04 -4.73 0.55 2.03 -1.26 -4.93 116.55 108.08 2gs6 n ASP 813 Ca 0.00 -2.08 -0.42 0.00 0.52 0.00 0.00 54.79 52.82 2gs6 n ASP 813 Cb 0.08 0.06 -0.03 0.00 -0.72 0.00 0.00 41.12 40.52 2gs6 n ASP 813 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 2gs6 s LEU 814 N -2.51 4.40 -0.17 -2.67 2.96 -1.26 -4.80 118.68 114.64 2gs6 s LEU 814 Ca 0.18 2.34 -0.32 0.00 -0.22 0.00 0.00 54.13 56.10 2gs6 s LEU 814 Cb 0.32 -3.60 0.14 0.00 0.50 0.00 0.00 46.19 43.54 2gs6 s LEU 814 CO -0.09 -0.54 1.13 0.00 -1.32 0.00 0.00 176.35 175.54 2gs6 s ALA 815 N 0.43 -2.01 0.38 5.97 0.00 -1.26 -4.74 121.76 120.53 2gs6 s ALA 815 Ca 0.59 1.55 0.16 0.00 0.00 0.00 0.00 51.96 54.25 2gs6 s ALA 815 Cb -0.36 -0.38 1.05 0.00 0.00 0.00 0.00 23.12 23.43 2gs6 s ALA 815 CO 0.35 -0.49 1.77 0.00 0.00 0.00 0.00 175.76 177.39 2gs6 h ALA 816 N 2.13 2.13 0.00 0.00 0.00 -1.91 0.45 119.26 122.07 2gs6 h ALA 816 Ca -0.13 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2gs6 h ALA 816 Cb 1.18 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2gs6 h ALA 816 CO 0.26 -0.54 0.00 0.07 0.00 0.00 0.00 179.25 179.04 2gs6 h ARG 817 N 0.45 0.00 -0.75 0.00 0.11 -1.95 -2.66 114.38 109.58 2gs6 h ARG 817 Ca 0.59 0.00 -0.45 0.00 0.10 0.00 0.00 59.98 60.23 2gs6 h ARG 817 Cb 1.41 0.00 -0.25 0.00 1.11 0.00 0.00 29.97 32.24 2gs6 h ARG 817 CO -0.32 0.00 0.28 0.09 0.10 0.00 0.00 179.97 180.12 2gs6 n ASN 818 N -2.99 4.34 -3.90 0.08 3.02 0.16 -4.81 115.26 111.16 2gs6 n ASN 818 Ca -0.01 -3.73 -0.26 0.00 -0.03 0.00 0.00 54.58 50.55 2gs6 n ASN 818 Cb 0.20 -0.75 -0.17 0.00 -0.61 0.00 0.00 39.78 38.45 2gs6 n ASN 818 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2gs6 s VAL 819 N -3.79 0.96 0.25 2.41 1.01 -1.02 -1.41 120.40 118.81 2gs6 s VAL 819 Ca 0.54 -0.26 0.01 0.00 0.00 0.00 0.00 61.98 62.27 2gs6 s VAL 819 Cb 0.45 -0.98 -0.04 0.00 0.00 0.00 0.00 36.38 35.82 2gs6 s VAL 819 CO 0.03 0.35 0.43 -0.76 0.00 0.00 0.00 175.10 175.16 2gs6 s LEU 820 N 1.65 4.19 -0.34 3.92 1.43 0.46 0.47 118.68 130.45 2gs6 s LEU 820 Ca 0.03 0.35 -0.03 0.00 -1.03 0.00 0.00 54.13 53.46 2gs6 s LEU 820 Cb -0.13 -3.15 0.07 0.00 0.03 0.00 0.00 46.19 43.01 2gs6 s LEU 820 CO -0.07 -0.12 0.08 -0.69 0.23 0.00 0.00 176.35 175.78 2gs6 s VAL 821 N -2.01 3.17 0.08 -1.59 1.01 0.25 -1.60 120.40 119.72 2gs6 s VAL 821 Ca 0.38 -1.59 -0.14 0.00 0.00 0.00 0.00 61.98 60.63 2gs6 s VAL 821 Cb -0.10 -2.95 -0.19 0.00 0.00 0.00 0.00 36.38 33.14 2gs6 s VAL 821 CO 0.31 -0.31 1.24 0.50 0.00 0.00 0.00 175.10 176.84 2gs6 h LYS 822 N 8.03 0.73 -3.22 2.72 3.64 -1.50 -2.83 116.57 124.14 2gs6 h LYS 822 Ca -0.18 -0.67 -0.01 0.00 -1.27 0.00 0.00 60.65 58.51 2gs6 h LYS 822 Cb 1.06 0.16 -0.10 0.00 -0.41 0.00 0.00 32.23 32.94 2gs6 h LYS 822 CO 0.59 1.27 0.08 0.95 -2.27 0.00 0.00 179.45 180.08 2gs6 s THR 823 N -3.55 0.02 0.65 1.00 -4.23 -1.02 -4.50 115.64 104.01 2gs6 s THR 823 Ca -0.10 -0.65 0.42 0.00 -1.18 0.00 0.00 61.69 60.18 2gs6 s THR 823 Cb 0.07 -1.50 0.43 0.00 1.34 0.00 0.00 72.50 72.84 2gs6 s THR 823 CO 0.90 -0.09 2.35 -0.65 -0.54 0.00 0.00 174.62 176.60 2gs6 h PRO 824 N 2.14 0.00 -0.01 3.99 0.11 -1.91 -0.67 132.00 135.66 2gs6 h PRO 824 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 2gs6 h PRO 824 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 2gs6 h PRO 824 CO 0.36 0.00 -0.51 1.04 -0.21 0.00 0.00 178.00 178.68 2gs6 n GLN 825 N -3.21 0.62 -3.56 1.05 3.00 -1.26 -4.86 117.38 109.17 2gs6 n GLN 825 Ca -0.03 -0.45 -0.18 0.00 -0.01 0.00 0.00 57.00 56.33 2gs6 n GLN 825 Cb 0.07 -1.49 -0.14 0.00 0.00 0.00 0.00 30.24 28.68 2gs6 n GLN 825 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.06 175.48 2gs6 s HIS 826 N -2.69 -0.21 0.31 1.08 5.04 -0.26 -5.03 115.29 113.54 2gs6 s HIS 826 Ca 0.17 0.29 0.10 0.00 -1.54 0.00 0.00 55.06 54.08 2gs6 s HIS 826 Cb 0.18 -0.36 -0.05 0.00 0.04 0.00 0.00 32.58 32.39 2gs6 s HIS 826 CO 0.64 -0.50 -0.06 0.14 -2.34 0.00 0.00 174.74 172.62 2gs6 s VAL 827 N 2.30 2.70 0.01 0.89 -7.23 -1.26 -1.25 120.40 116.57 2gs6 s VAL 827 Ca 0.05 -2.10 -0.09 0.00 -1.81 0.00 0.00 61.98 58.03 2gs6 s VAL 827 Cb -0.15 -2.66 0.01 0.00 0.56 0.00 0.00 36.38 34.13 2gs6 s VAL 827 CO -0.10 -0.28 0.19 -0.54 -0.31 0.00 0.00 175.10 174.05 2gs6 s LYS 828 N -3.64 0.60 0.21 4.82 1.02 -0.62 -4.63 119.74 117.49 2gs6 s LYS 828 Ca 0.33 -0.46 -0.22 0.00 0.02 0.00 0.00 55.97 55.64 2gs6 s LYS 828 Cb -0.02 0.25 -0.08 0.00 -0.52 0.00 0.00 37.83 37.46 2gs6 s LYS 828 CO 0.18 -0.16 0.75 0.42 -0.92 0.00 0.00 175.35 175.63 2gs6 s ILE 829 N -1.84 4.48 0.00 2.17 1.01 0.11 -0.41 121.20 126.72 2gs6 s ILE 829 Ca -0.11 1.47 0.00 0.00 0.00 0.00 0.00 60.65 62.01 2gs6 s ILE 829 Cb -0.05 -3.96 0.00 0.00 0.01 0.00 0.00 42.46 38.46 2gs6 s ILE 829 CO -0.00 0.32 0.00 1.07 0.00 0.00 0.00 174.94 176.33 2gs6 n THR 830 N 1.03 0.00 -3.00 2.92 5.66 -0.50 -0.51 114.28 119.89 2gs6 n THR 830 Ca -0.03 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.85 2gs6 n THR 830 Cb 0.50 0.00 0.01 0.00 -1.55 0.00 0.00 70.33 69.29 2gs6 n THR 830 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 2gs6 n ASP 831 N -1.61 -7.30 -1.85 1.09 -0.08 -1.26 -4.84 116.55 100.71 2gs6 n ASP 831 Ca 0.00 0.58 -0.11 0.00 -1.51 0.00 0.00 54.79 53.75 2gs6 n ASP 831 Cb 0.00 -4.16 0.24 0.00 2.34 0.00 0.00 41.12 39.54 2gs6 n ASP 831 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 2gs6 n PHE 832 N 0.14 2.32 0.30 -0.67 3.72 -1.26 -4.64 117.46 117.37 2gs6 n PHE 832 Ca 0.03 -1.50 0.07 0.00 -0.05 0.00 0.00 57.45 56.01 2gs6 n PHE 832 Cb 0.41 -0.72 0.30 0.00 -0.94 0.00 0.00 39.48 38.53 2gs6 n PHE 832 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2gs6 n GLY 833 N -0.73 -0.91 0.00 1.37 0.00 -1.26 -2.53 105.19 101.13 2gs6 n GLY 833 Ca 0.45 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.50 2gs6 n GLY 833 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2gs6 n LEU 834 N -1.76 0.42 -4.54 0.99 4.77 -1.26 -4.94 117.00 110.68 2gs6 n LEU 834 Ca 0.02 -0.66 -0.36 0.00 -0.03 0.00 0.00 56.01 54.97 2gs6 n LEU 834 Cb 0.12 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.28 2gs6 n LEU 834 CO 0.11 0.11 0.30 0.00 -1.33 0.00 0.00 177.39 176.58 2gs6 n ALA 835 N -0.49 -0.81 -3.03 -1.18 0.00 -1.05 -4.75 120.51 109.21 2gs6 n ALA 835 Ca 0.00 -0.19 -0.12 0.00 0.00 0.00 0.00 53.44 53.13 2gs6 n ALA 835 Cb 0.01 -1.99 -0.13 0.00 0.00 0.00 0.00 19.45 17.35 2gs6 n ALA 835 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2gs6 s LYS 836 N -2.97 0.15 -0.38 0.00 -0.14 -0.55 -5.00 119.74 110.85 2gs6 s LYS 836 Ca 0.70 0.19 -0.13 0.00 -1.36 0.00 0.00 55.97 55.37 2gs6 s LYS 836 Cb -0.36 0.07 0.01 0.00 -1.68 0.00 0.00 37.83 35.88 2gs6 s LYS 836 CO 0.53 -0.02 0.24 -1.17 -0.76 0.00 0.00 175.35 174.18 2gs6 s LEU 837 N 0.10 4.78 0.83 3.17 0.20 -1.26 -0.98 118.68 125.52 2gs6 s LEU 837 Ca -0.00 -0.82 -0.11 0.00 0.69 0.00 0.00 54.13 53.88 2gs6 s LEU 837 Cb -0.01 -2.09 0.09 0.00 -0.43 0.00 0.00 46.19 43.74 2gs6 s LEU 837 CO 0.00 -0.37 1.09 -0.76 -0.29 0.00 0.00 176.35 176.02 2gs6 s LEU 838 N 1.64 2.51 0.67 -0.68 1.43 -0.35 -5.02 118.68 118.87 2gs6 s LEU 838 Ca 0.04 1.41 -0.10 0.00 -1.03 0.00 0.00 54.13 54.46 2gs6 s LEU 838 Cb -0.19 -3.96 0.01 0.00 0.03 0.00 0.00 46.19 42.08 2gs6 s LEU 838 CO 0.09 -2.22 1.03 -0.83 0.23 0.00 0.00 176.35 174.65 2gs6 s GLY 839 N -3.69 1.62 0.31 -3.19 0.00 -1.26 -4.92 107.32 96.19 2gs6 s GLY 839 Ca 0.62 -0.47 0.11 0.00 0.00 0.00 0.00 44.72 44.98 2gs6 s GLY 839 CO 0.55 -0.13 1.45 0.00 0.00 0.00 0.00 173.10 174.98 2gs6 n ALA 840 N -2.86 0.71 -1.36 3.20 0.00 -1.26 -1.20 120.51 117.74 2gs6 n ALA 840 Ca 0.06 0.97 0.07 0.00 0.00 0.00 0.00 53.44 54.53 2gs6 n ALA 840 Cb 0.57 -0.83 0.09 0.00 0.00 0.00 0.00 19.45 19.28 2gs6 n ALA 840 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2gs6 n GLU 841 N -5.22 0.88 -2.44 0.00 1.02 -1.26 -5.02 120.64 108.59 2gs6 n GLU 841 Ca 0.28 -2.05 -0.42 0.00 -0.02 0.00 0.00 57.16 54.96 2gs6 n GLU 841 Cb 0.95 -1.17 -0.03 0.00 -0.02 0.00 0.00 31.44 31.17 2gs6 n GLU 841 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 2gs6 s GLU 842 N -1.92 4.49 0.01 3.49 2.12 -0.34 -4.94 118.70 121.60 2gs6 s GLU 842 Ca 0.21 1.77 0.19 0.00 0.36 0.00 0.00 54.97 57.50 2gs6 s GLU 842 Cb 0.19 -3.31 -0.19 0.00 0.26 0.00 0.00 34.13 31.07 2gs6 s GLU 842 CO 0.02 -0.13 0.62 1.17 -0.54 0.00 0.00 175.26 176.40 2gs6 n LYS 843 N 3.22 0.64 -3.79 4.30 3.00 -1.26 -4.68 118.16 119.59 2gs6 n LYS 843 Ca 0.06 0.05 -0.10 0.00 -0.00 0.00 0.00 58.31 58.33 2gs6 n LYS 843 Cb 0.46 -1.68 -0.05 0.00 0.00 0.00 0.00 35.03 33.76 2gs6 n LYS 843 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.40 175.57 2gs6 s GLU 844 N -3.06 1.26 -0.14 1.64 -1.05 -1.26 -4.74 118.70 111.35 2gs6 s GLU 844 Ca -0.05 -0.93 0.01 0.00 -0.15 0.00 0.00 54.97 53.85 2gs6 s GLU 844 Cb 0.10 0.47 -0.00 0.00 -0.44 0.00 0.00 34.13 34.25 2gs6 s GLU 844 CO 0.84 -0.51 -0.18 -0.47 0.95 0.00 0.00 175.26 175.89 2gs6 s TYR 845 N -3.89 2.71 -0.43 4.83 5.04 0.03 -4.94 117.35 120.70 2gs6 s TYR 845 Ca 0.10 -1.04 -0.12 0.00 -2.44 0.00 0.00 57.07 53.57 2gs6 s TYR 845 Cb 0.01 -1.83 0.06 0.00 0.35 0.00 0.00 41.96 40.55 2gs6 s TYR 845 CO -0.04 -0.45 0.30 -1.01 -1.34 0.00 0.00 175.55 173.02 2gs6 s HIS 846 N 0.63 3.28 0.65 4.97 3.76 -1.26 -0.75 115.29 126.56 2gs6 s HIS 846 Ca -0.10 -1.13 -0.11 0.00 -0.15 0.00 0.00 55.06 53.57 2gs6 s HIS 846 Cb -0.16 -2.90 -0.02 0.00 1.11 0.00 0.00 32.58 30.61 2gs6 s HIS 846 CO 0.03 -0.77 1.04 0.00 -0.85 0.00 0.00 174.74 174.18 2gs6 s ALA 847 N 1.55 3.04 -0.19 -1.40 0.00 -0.49 -5.03 121.76 119.24 2gs6 s ALA 847 Ca 0.03 -0.23 0.01 0.00 0.00 0.00 0.00 51.96 51.77 2gs6 s ALA 847 Cb -0.22 -3.02 -0.12 0.00 0.00 0.00 0.00 23.12 19.76 2gs6 s ALA 847 CO 0.05 -0.85 -0.17 -0.85 0.00 0.00 0.00 175.76 173.94 2gs6 n GLU 848 N -2.82 0.46 -3.93 0.00 0.28 -1.26 -4.84 120.64 108.53 2gs6 n GLU 848 Ca 0.06 0.11 0.05 0.00 -0.16 0.00 0.00 57.16 57.22 2gs6 n GLU 848 Cb 0.55 -1.37 0.01 0.00 1.43 0.00 0.00 31.44 32.07 2gs6 n GLU 848 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 2gs6 s GLY 849 N -5.78 -0.28 0.00 -1.84 0.00 -1.26 -5.11 107.32 93.04 2gs6 s GLY 849 Ca -0.25 0.34 0.00 0.00 0.00 0.00 0.00 44.72 44.81 2gs6 s GLY 849 CO 0.43 5.39 0.00 0.61 0.00 0.00 0.00 173.10 179.53 2gs6 n GLY 850 N -0.87 2.43 3.72 0.20 0.00 -1.26 -5.02 105.19 104.39 2gs6 n GLY 850 Ca 0.03 -2.02 -0.42 0.00 0.00 0.00 0.00 46.02 43.61 2gs6 n GLY 850 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2gs6 s LYS 851 N -2.50 4.21 -0.03 1.61 3.01 -1.26 -5.02 119.74 119.77 2gs6 s LYS 851 Ca 0.00 2.37 -0.04 0.00 -1.01 0.00 0.00 55.97 57.30 2gs6 s LYS 851 Cb 0.00 -3.15 0.01 0.00 -1.01 0.00 0.00 37.83 33.68 2gs6 s LYS 851 CO 0.00 -0.61 0.10 0.14 0.51 0.00 0.00 175.35 175.48 2gs6 s VAL 852 N 1.14 0.01 -0.77 3.17 -7.23 -1.26 -5.09 120.40 110.37 2gs6 s VAL 852 Ca 0.70 -0.09 -0.25 0.00 -1.81 0.00 0.00 61.98 60.53 2gs6 s VAL 852 Cb -0.44 -0.17 -0.06 0.00 0.56 0.00 0.00 36.38 36.27 2gs6 s VAL 852 CO 0.31 -0.05 2.07 -2.16 -0.31 0.00 0.00 175.10 174.96 2gs6 s PRO 853 N -0.12 2.33 0.16 4.82 0.04 -1.26 -4.88 135.00 136.09 2gs6 s PRO 853 Ca -0.02 0.26 -0.17 0.00 0.04 0.00 0.00 61.00 61.11 2gs6 s PRO 853 Cb -0.02 -4.80 0.09 0.00 0.04 0.00 0.00 34.50 29.82 2gs6 s PRO 853 CO 0.00 -3.43 1.67 0.82 0.04 0.00 0.00 177.00 176.10 2gs6 h ILE 854 N 7.30 0.60 0.00 0.56 1.08 -1.95 -2.69 117.51 122.41 2gs6 h ILE 854 Ca -0.04 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.43 2gs6 h ILE 854 Cb 1.07 0.60 0.00 0.00 -3.07 0.00 0.00 36.82 35.42 2gs6 h ILE 854 CO 1.17 0.00 0.00 0.29 -0.69 0.00 0.00 178.15 178.92 2gs6 n LYS 855 N -5.31 0.01 0.00 2.37 5.02 -1.26 -1.36 118.16 117.62 2gs6 n LYS 855 Ca 0.02 0.43 0.05 0.00 -2.02 0.00 0.00 58.31 56.79 2gs6 n LYS 855 Cb 0.22 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 33.72 2gs6 n LYS 855 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 2gs6 n TRP 856 N -1.46 0.00 -3.65 2.13 8.01 -1.02 -5.00 117.44 116.44 2gs6 n TRP 856 Ca 0.01 0.00 -0.28 0.00 -1.31 0.00 0.00 57.50 55.92 2gs6 n TRP 856 Cb 0.02 0.00 -0.03 0.00 -2.01 0.00 0.00 31.31 29.29 2gs6 n TRP 856 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 2gs6 s MET 857 N -1.37 3.54 0.59 -0.99 0.23 -0.47 -3.73 119.30 117.11 2gs6 s MET 857 Ca 0.08 -0.28 -0.17 0.00 -1.03 0.00 0.00 55.69 54.29 2gs6 s MET 857 Cb 0.08 -2.82 -0.04 0.00 -1.53 0.00 0.00 34.83 30.52 2gs6 s MET 857 CO 0.25 0.39 1.09 0.00 -2.03 0.00 0.00 175.02 174.72 2gs6 s ALA 858 N -1.87 2.66 0.26 3.16 0.00 -1.26 -4.86 121.76 119.85 2gs6 s ALA 858 Ca 0.39 0.56 -0.02 0.00 0.00 0.00 0.00 51.96 52.89 2gs6 s ALA 858 Cb -0.11 -3.29 0.52 0.00 0.00 0.00 0.00 23.12 20.24 2gs6 s ALA 858 CO 0.29 -0.89 1.74 1.25 0.00 0.00 0.00 175.76 178.15 2gs6 h LEU 859 N 0.60 0.38 -0.34 0.00 5.85 -1.94 -0.48 115.31 119.38 2gs6 h LEU 859 Ca -0.48 0.11 0.06 0.00 0.84 0.00 0.00 57.88 58.41 2gs6 h LEU 859 Cb 1.24 0.06 -0.05 0.00 0.37 0.00 0.00 40.66 42.28 2gs6 h LEU 859 CO 0.56 0.14 0.01 -0.33 -0.34 0.00 0.00 178.44 178.49 2gs6 h GLU 860 N 0.51 0.11 -0.65 1.25 5.08 -1.90 -0.15 114.58 118.83 2gs6 h GLU 860 Ca 0.45 -0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.83 2gs6 h GLU 860 Cb 0.69 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.87 2gs6 h GLU 860 CO -0.40 0.07 0.40 0.77 -1.00 0.00 0.00 179.01 178.85 2gs6 h SER 861 N 0.11 0.66 -0.05 1.42 0.02 -1.12 0.29 113.55 114.89 2gs6 h SER 861 Ca 0.17 -0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.11 2gs6 h SER 861 Cb 0.22 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 62.61 2gs6 h SER 861 CO -0.26 0.46 0.00 0.40 -1.14 0.00 0.00 176.83 176.29 2gs6 h ILE 862 N 0.79 1.23 -0.09 3.27 2.04 -0.76 0.14 117.51 124.14 2gs6 h ILE 862 Ca 0.26 -0.71 -0.24 0.00 1.00 0.00 0.00 64.86 65.17 2gs6 h ILE 862 Cb 0.01 1.62 0.01 0.00 -0.74 0.00 0.00 36.82 37.73 2gs6 h ILE 862 CO -0.10 0.19 -0.88 -0.07 0.00 0.00 0.00 178.15 177.29 2gs6 h LEU 863 N -0.19 0.89 -1.75 1.44 3.38 -0.85 -3.39 115.31 114.84 2gs6 h LEU 863 Ca 0.01 -0.64 0.00 0.00 0.09 0.00 0.00 57.88 57.35 2gs6 h LEU 863 Cb 0.31 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.79 2gs6 h LEU 863 CO 0.00 1.43 0.00 1.41 0.09 0.00 0.00 178.44 181.38 2gs6 n HIS 864 N -3.89 0.00 -2.49 1.13 8.25 0.10 -5.00 115.22 113.32 2gs6 n HIS 864 Ca -0.09 -0.21 -0.20 0.00 -0.26 0.00 0.00 57.72 56.97 2gs6 n HIS 864 Cb 0.80 -0.02 -0.00 0.00 1.12 0.00 0.00 29.99 31.89 2gs6 n HIS 864 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2gs6 n ARG 865 N -0.21 -2.15 -3.65 -0.41 1.74 0.04 -4.83 116.66 107.19 2gs6 n ARG 865 Ca 0.00 0.93 -0.36 0.00 -0.77 0.00 0.00 57.85 57.65 2gs6 n ARG 865 Cb 0.16 -5.54 -0.07 0.00 -1.02 0.00 0.00 32.46 25.99 2gs6 n ARG 865 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2gs6 s ILE 866 N -3.01 5.35 -0.05 0.55 1.01 -1.25 -1.40 121.20 122.41 2gs6 s ILE 866 Ca 0.06 0.40 0.04 0.00 0.00 0.00 0.00 60.65 61.14 2gs6 s ILE 866 Cb -0.02 -3.55 0.00 0.00 0.01 0.00 0.00 42.46 38.90 2gs6 s ILE 866 CO 0.07 0.45 -0.15 -0.31 0.00 0.00 0.00 174.94 175.00 2gs6 s TYR 867 N 0.12 1.59 0.32 3.97 2.02 0.07 -3.34 117.35 122.09 2gs6 s TYR 867 Ca 0.14 -0.47 0.02 0.00 -0.37 0.00 0.00 57.07 56.39 2gs6 s TYR 867 Cb -0.12 -1.09 -0.02 0.00 -0.40 0.00 0.00 41.96 40.33 2gs6 s TYR 867 CO 0.03 -0.18 0.35 0.95 -1.57 0.00 0.00 175.55 175.12 2gs6 s THR 868 N 0.15 0.00 0.30 -0.71 -4.23 -1.26 -0.79 115.64 109.11 2gs6 s THR 868 Ca -0.06 -1.83 0.01 0.00 -1.18 0.00 0.00 61.69 58.64 2gs6 s THR 868 Cb -0.12 -2.55 0.15 0.00 1.34 0.00 0.00 72.50 71.32 2gs6 s THR 868 CO 0.02 0.00 1.84 0.45 -0.54 0.00 0.00 174.62 176.39 2gs6 h HIS 869 N 2.17 0.70 -0.21 3.99 3.86 -1.93 -1.90 115.15 121.84 2gs6 h HIS 869 Ca -0.27 -0.07 -0.06 0.00 -1.16 0.00 0.00 60.37 58.81 2gs6 h HIS 869 Cb 1.24 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 29.49 2gs6 h HIS 869 CO 1.48 0.64 -0.13 1.96 0.86 0.00 0.00 177.93 182.74 2gs6 h GLN 870 N 0.65 0.34 0.00 2.45 1.08 -1.94 -0.26 115.11 117.44 2gs6 h GLN 870 Ca 0.14 -0.09 -0.06 0.00 -1.45 0.00 0.00 58.65 57.19 2gs6 h GLN 870 Cb 0.33 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.71 2gs6 h GLN 870 CO 0.01 0.48 -0.30 0.66 -0.95 0.00 0.00 178.83 178.73 2gs6 h SER 871 N 0.32 0.00 0.38 1.46 4.64 -1.74 -1.46 113.55 117.15 2gs6 h SER 871 Ca 0.06 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.28 2gs6 h SER 871 Cb 0.42 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.50 2gs6 h SER 871 CO 0.02 0.30 -0.47 0.44 -0.87 0.00 0.00 176.83 176.25 2gs6 h ASP 872 N 0.00 0.12 -0.55 4.97 3.45 -0.55 -2.43 116.42 121.43 2gs6 h ASP 872 Ca -0.00 -0.06 -0.06 0.00 0.43 0.00 0.00 57.03 57.34 2gs6 h ASP 872 Cb 0.95 -0.03 -0.03 0.00 -0.56 0.00 0.00 39.33 39.66 2gs6 h ASP 872 CO 0.04 0.58 0.12 0.58 -1.57 0.00 0.00 179.24 178.99 2gs6 h VAL 873 N 0.10 1.24 -0.53 -1.35 2.07 -0.08 0.40 116.25 118.10 2gs6 h VAL 873 Ca 0.00 -0.92 -0.02 0.00 0.82 0.00 0.00 66.70 66.58 2gs6 h VAL 873 Cb 0.87 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 31.28 2gs6 h VAL 873 CO 0.07 0.34 0.24 -0.25 0.02 0.00 0.00 177.57 177.99 2gs6 h TRP 874 N 0.89 0.77 -0.29 1.57 2.91 -1.06 -1.19 115.95 119.55 2gs6 h TRP 874 Ca 0.19 -0.04 -0.03 0.00 1.13 0.00 0.00 58.89 60.13 2gs6 h TRP 874 Cb 0.36 -0.24 -0.02 0.00 -0.51 0.00 0.00 29.16 28.76 2gs6 h TRP 874 CO 0.02 0.61 0.04 0.77 -1.03 0.00 0.00 178.44 178.85 2gs6 h SER 875 N 0.71 0.38 -0.71 2.65 0.02 -0.94 -1.43 113.55 114.23 2gs6 h SER 875 Ca 0.18 -0.05 -0.05 0.00 -0.84 0.00 0.00 61.79 61.02 2gs6 h SER 875 Cb 0.14 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 62.55 2gs6 h SER 875 CO -0.02 0.42 0.24 0.22 -1.14 0.00 0.00 176.83 176.55 2gs6 h TYR 876 N 0.41 1.14 -0.55 3.45 5.03 0.03 -0.80 116.97 125.69 2gs6 h TYR 876 Ca 0.10 -0.10 0.01 0.00 2.58 0.00 0.00 58.73 61.32 2gs6 h TYR 876 Cb 0.21 -0.33 -0.03 0.00 1.55 0.00 0.00 36.73 38.13 2gs6 h TYR 876 CO 0.01 0.89 0.35 0.78 -1.32 0.00 0.00 178.16 178.87 2gs6 h GLY 877 N 1.10 0.78 1.40 1.82 0.00 -0.17 -1.10 103.07 106.90 2gs6 h GLY 877 Ca 0.24 -0.27 -0.10 0.00 0.00 0.00 0.00 47.33 47.20 2gs6 h GLY 877 CO -0.01 0.25 -0.16 -2.08 0.00 0.00 0.00 176.54 174.54 2gs6 h VAL 878 N 0.71 1.26 -0.47 4.60 2.07 -1.06 -1.56 116.25 121.79 2gs6 h VAL 878 Ca 0.21 -1.22 -0.01 0.00 0.82 0.00 0.00 66.70 66.50 2gs6 h VAL 878 Cb -0.04 1.15 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 2gs6 h VAL 878 CO -0.06 0.41 0.24 0.74 0.02 0.00 0.00 177.57 178.91 2gs6 h THR 879 N 0.63 1.18 -0.38 2.57 2.02 -0.61 0.28 112.91 118.60 2gs6 h THR 879 Ca 0.10 -0.49 -0.00 0.00 0.77 0.00 0.00 66.41 66.79 2gs6 h THR 879 Cb 0.63 0.64 -0.02 0.00 -1.74 0.00 0.00 68.15 67.67 2gs6 h THR 879 CO 0.04 0.19 0.24 0.58 0.37 0.00 0.00 175.52 176.94 2gs6 h VAL 880 N 0.62 1.12 -0.37 3.16 2.07 -0.98 -1.59 116.25 120.27 2gs6 h VAL 880 Ca 0.16 -0.26 0.05 0.00 0.82 0.00 0.00 66.70 67.48 2gs6 h VAL 880 Cb 0.09 0.60 -0.05 0.00 -1.52 0.00 0.00 31.29 30.42 2gs6 h VAL 880 CO -0.02 0.12 0.10 -0.25 0.02 0.00 0.00 177.57 177.53 2gs6 h TRP 881 N 0.50 0.17 -0.58 1.57 7.01 -0.83 0.45 115.95 124.23 2gs6 h TRP 881 Ca 0.14 0.02 0.09 0.00 2.11 0.00 0.00 58.89 61.25 2gs6 h TRP 881 Cb -0.02 -0.02 -0.07 0.00 -2.10 0.00 0.00 29.16 26.95 2gs6 h TRP 881 CO -0.04 0.05 0.19 0.93 -2.79 0.00 0.00 178.44 176.78 2gs6 h GLU 882 N 0.23 0.35 -0.32 2.65 5.08 -0.48 0.11 114.58 122.19 2gs6 h GLU 882 Ca 0.17 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.48 2gs6 h GLU 882 Cb 0.18 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 2gs6 h GLU 882 CO -0.21 0.23 0.08 -0.07 -1.00 0.00 0.00 179.01 178.04 2gs6 h LEU 883 N 0.36 0.48 -1.66 1.33 3.38 -0.21 0.24 115.31 119.23 2gs6 h LEU 883 Ca 0.30 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 2gs6 h LEU 883 Cb 0.38 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 2gs6 h LEU 883 CO -0.32 0.59 -0.16 0.24 0.09 0.00 0.00 178.44 178.88 2gs6 h MET 884 N 0.36 0.00 -0.62 1.13 2.86 0.64 -1.53 114.93 117.77 2gs6 h MET 884 Ca 0.10 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.74 2gs6 h MET 884 Cb 0.29 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.95 2gs6 h MET 884 CO 0.00 0.16 0.00 0.25 1.06 0.00 0.00 176.91 178.38 2gs6 n THR 885 N -3.57 1.37 -2.36 2.22 -2.24 0.30 -4.74 114.28 105.27 2gs6 n THR 885 Ca -0.01 -0.89 -0.16 0.00 -2.27 0.00 0.00 64.05 60.71 2gs6 n THR 885 Cb 0.30 0.05 -0.01 0.00 -2.10 0.00 0.00 70.33 68.57 2gs6 n THR 885 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 2gs6 n PHE 886 N 0.84 -1.16 0.00 4.78 3.72 -0.58 -2.90 117.46 122.16 2gs6 n PHE 886 Ca 0.20 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.60 2gs6 n PHE 886 Cb 0.70 -3.29 0.00 0.00 -0.94 0.00 0.00 39.48 35.95 2gs6 n PHE 886 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2gs6 n GLY 887 N -0.86 1.20 3.76 1.37 0.00 0.83 -3.96 105.19 107.53 2gs6 n GLY 887 Ca -0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.51 2gs6 n GLY 887 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2gs6 s SER 888 N -2.00 4.63 -0.13 1.61 0.01 -1.14 -4.99 113.70 111.69 2gs6 s SER 888 Ca 0.00 1.92 -0.21 0.00 1.31 0.00 0.00 55.95 58.97 2gs6 s SER 888 Cb 0.00 -2.54 -0.03 0.00 0.21 0.00 0.00 66.02 63.66 2gs6 s SER 888 CO 0.00 -1.95 0.61 -0.54 0.41 0.00 0.00 173.24 171.77 2gs6 s LYS 889 N -4.58 4.33 0.30 12.44 1.02 -1.26 -4.77 119.74 127.22 2gs6 s LYS 889 Ca 0.64 0.66 -0.30 0.00 0.02 0.00 0.00 55.97 56.99 2gs6 s LYS 889 Cb -0.19 -3.49 -0.11 0.00 -0.52 0.00 0.00 37.83 33.51 2gs6 s LYS 889 CO 0.51 -0.02 1.60 -2.14 -0.92 0.00 0.00 175.35 174.38 2gs6 s PRO 890 N 1.17 4.11 -1.50 -1.68 0.02 -1.26 -1.91 135.00 133.94 2gs6 s PRO 890 Ca 0.31 2.61 -0.15 0.00 0.02 0.00 0.00 61.00 63.78 2gs6 s PRO 890 Cb -0.16 -3.01 0.13 0.00 0.02 0.00 0.00 34.50 31.47 2gs6 s PRO 890 CO 0.13 -0.65 0.65 0.66 -0.33 0.00 0.00 177.00 177.47 2gs6 n TYR 891 N 2.03 -1.75 -1.48 6.54 4.01 -1.26 -4.77 117.16 120.49 2gs6 n TYR 891 Ca 0.08 0.65 -0.50 0.00 -0.16 0.00 0.00 57.90 57.97 2gs6 n TYR 891 Cb 0.37 -2.82 -0.04 0.00 -0.31 0.00 0.00 39.34 36.54 2gs6 n TYR 891 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 2gs6 n ASP 892 N -2.47 -0.21 0.00 7.72 2.03 -0.80 -1.18 116.55 121.63 2gs6 n ASP 892 Ca 0.05 1.14 0.00 0.00 0.52 0.00 0.00 54.79 56.50 2gs6 n ASP 892 Cb 0.50 -1.03 0.00 0.00 -0.72 0.00 0.00 41.12 39.87 2gs6 n ASP 892 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2gs6 n GLY 893 N 1.80 1.40 3.71 0.27 0.00 -1.26 -4.98 105.19 106.12 2gs6 n GLY 893 Ca 0.17 -0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 2gs6 n GLY 893 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2gs6 s ILE 894 N -0.17 2.81 0.34 -0.61 -1.09 -0.32 -4.95 121.20 117.20 2gs6 s ILE 894 Ca 0.00 0.47 -0.29 0.00 -2.23 0.00 0.00 60.65 58.61 2gs6 s ILE 894 Cb 0.00 -3.30 -0.11 0.00 -1.58 0.00 0.00 42.46 37.47 2gs6 s ILE 894 CO 0.00 0.02 1.46 -2.84 -1.23 0.00 0.00 174.94 172.35 2gs6 s PRO 895 N 1.76 4.19 0.36 2.79 0.02 -1.26 -4.90 135.00 137.96 2gs6 s PRO 895 Ca 0.72 2.46 0.11 0.00 0.02 0.00 0.00 61.00 64.31 2gs6 s PRO 895 Cb -0.42 -3.02 0.90 0.00 0.02 0.00 0.00 34.50 31.98 2gs6 s PRO 895 CO 0.32 -0.46 1.81 0.00 -0.33 0.00 0.00 177.00 178.34 2gs6 h ALA 896 N 3.64 1.93 0.00 -1.55 0.00 -1.97 0.54 119.26 121.86 2gs6 h ALA 896 Ca -0.49 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2gs6 h ALA 896 Cb 1.23 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2gs6 h ALA 896 CO 0.69 -0.26 0.00 0.66 0.00 0.00 0.00 179.25 180.33 2gs6 h SER 897 N 0.60 0.00 0.51 0.00 4.64 -2.03 -2.81 113.55 114.47 2gs6 h SER 897 Ca 0.53 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.77 2gs6 h SER 897 Cb 1.04 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.11 2gs6 h SER 897 CO -0.28 0.00 -1.56 -0.62 -0.87 0.00 0.00 176.83 173.50 2gs6 n GLU 898 N -2.37 0.63 -0.26 4.77 1.02 0.17 -4.47 120.64 120.14 2gs6 n GLU 898 Ca 0.01 0.04 0.02 0.00 -0.02 0.00 0.00 57.16 57.20 2gs6 n GLU 898 Cb 0.20 -1.70 0.09 0.00 -0.02 0.00 0.00 31.44 30.01 2gs6 n GLU 898 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 2gs6 h ILE 899 N 0.00 0.26 -0.99 -3.67 1.08 -1.41 0.14 117.51 112.92 2gs6 h ILE 899 Ca -0.10 -0.00 0.15 0.00 -0.39 0.00 0.00 64.86 64.52 2gs6 h ILE 899 Cb 1.28 0.25 -0.09 0.00 -3.07 0.00 0.00 36.82 35.19 2gs6 h ILE 899 CO 0.01 0.00 0.61 -1.28 -0.69 0.00 0.00 178.15 176.81 2gs6 h SER 900 N 0.00 0.85 0.69 1.72 0.87 -1.78 -1.79 113.55 114.11 2gs6 h SER 900 Ca 0.36 0.07 -0.03 0.00 -1.23 0.00 0.00 61.79 60.96 2gs6 h SER 900 Cb 0.56 -0.09 0.01 0.00 -0.44 0.00 0.00 62.40 62.43 2gs6 h SER 900 CO -0.76 0.40 -0.33 0.28 -0.53 0.00 0.00 176.83 175.88 2gs6 h SER 901 N 0.89 -0.79 -0.62 6.23 0.02 -1.25 -2.35 113.55 115.68 2gs6 h SER 901 Ca 0.53 -0.00 0.10 0.00 -0.84 0.00 0.00 61.79 61.58 2gs6 h SER 901 Cb 0.65 0.20 -0.11 0.00 0.14 0.00 0.00 62.40 63.28 2gs6 h SER 901 CO -0.31 -0.44 -0.38 0.40 -1.14 0.00 0.00 176.83 174.95 2gs6 h ILE 902 N -1.15 0.12 -0.13 3.27 2.04 -1.17 -0.15 117.51 120.34 2gs6 h ILE 902 Ca -0.09 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.80 2gs6 h ILE 902 Cb 0.74 0.12 -0.04 0.00 -0.74 0.00 0.00 36.82 36.90 2gs6 h ILE 902 CO 0.16 0.00 -0.10 -0.07 0.00 0.00 0.00 178.15 178.14 2gs6 h LEU 903 N -0.18 -0.30 -1.02 1.44 3.38 -1.36 -1.55 115.31 115.71 2gs6 h LEU 903 Ca 0.22 0.07 0.12 0.00 0.09 0.00 0.00 57.88 58.38 2gs6 h LEU 903 Cb 0.56 0.16 -0.08 0.00 0.09 0.00 0.00 40.66 41.38 2gs6 h LEU 903 CO -0.71 -0.13 0.63 -0.33 0.09 0.00 0.00 178.44 177.99 2gs6 h GLU 904 N -0.10 0.95 0.00 1.13 5.08 -0.73 0.32 114.58 121.23 2gs6 h GLU 904 Ca 0.08 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2gs6 h GLU 904 Cb 0.22 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.26 2gs6 h GLU 904 CO -0.20 0.63 0.00 1.63 -1.00 0.00 0.00 179.01 180.07 2gs6 n LYS 905 N -4.62 0.07 0.00 2.33 5.02 -0.16 -4.85 118.16 115.95 2gs6 n LYS 905 Ca 0.19 0.42 0.00 0.00 -2.02 0.00 0.00 58.31 56.90 2gs6 n LYS 905 Cb 0.37 -1.67 0.00 0.00 -0.02 0.00 0.00 35.03 33.70 2gs6 n LYS 905 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2gs6 n GLY 906 N -0.58 0.57 3.76 0.72 0.00 0.11 -5.08 105.19 104.70 2gs6 n GLY 906 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 2gs6 n GLY 906 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2gs6 s GLU 907 N -0.88 2.85 0.26 1.61 2.12 -1.00 -4.97 118.70 118.69 2gs6 s GLU 907 Ca 0.00 1.58 -0.03 0.00 0.36 0.00 0.00 54.97 56.88 2gs6 s GLU 907 Cb 0.00 -1.94 -0.02 0.00 0.26 0.00 0.00 34.13 32.43 2gs6 s GLU 907 CO 0.00 -1.24 0.31 1.03 -0.54 0.00 0.00 175.26 174.82 2gs6 s ARG 908 N -3.73 1.53 0.57 4.30 1.81 -1.26 -4.25 118.95 117.92 2gs6 s ARG 908 Ca 0.71 -1.64 -0.21 0.00 -1.72 0.00 0.00 55.73 52.88 2gs6 s ARG 908 Cb -0.24 0.36 -0.04 0.00 -0.45 0.00 0.00 34.95 34.58 2gs6 s ARG 908 CO 0.37 -0.58 1.31 -0.51 -0.68 0.00 0.00 175.30 175.21 2gs6 s LEU 909 N -3.18 3.77 0.77 2.53 1.43 -1.26 -4.99 118.68 117.75 2gs6 s LEU 909 Ca 0.34 2.65 -0.11 0.00 -1.03 0.00 0.00 54.13 55.98 2gs6 s LEU 909 Cb 0.03 -4.39 0.05 0.00 0.03 0.00 0.00 46.19 41.91 2gs6 s LEU 909 CO 0.16 -1.63 1.09 -2.16 0.23 0.00 0.00 176.35 174.04 2gs6 s PRO 910 N -3.06 2.28 -0.15 1.29 0.04 -1.26 -4.98 135.00 129.16 2gs6 s PRO 910 Ca 0.74 1.18 -0.29 0.00 0.04 0.00 0.00 61.00 62.67 2gs6 s PRO 910 Cb -0.38 -1.90 -0.02 0.00 0.04 0.00 0.00 34.50 32.24 2gs6 s PRO 910 CO 0.43 -1.63 1.36 -1.14 0.04 0.00 0.00 177.00 176.06 2gs6 s GLN 911 N -4.86 4.19 0.16 4.56 0.74 -1.26 -4.97 119.66 118.22 2gs6 s GLN 911 Ca 0.61 1.76 -0.31 0.00 0.05 0.00 0.00 55.36 57.47 2gs6 s GLN 911 Cb -0.17 -3.83 -0.10 0.00 1.10 0.00 0.00 33.01 30.01 2gs6 s GLN 911 CO 0.55 -0.78 1.54 -2.14 -0.55 0.00 0.00 175.29 173.91 2gs6 s PRO 912 N 3.70 4.23 0.25 1.67 0.02 -1.26 -4.90 135.00 138.71 2gs6 s PRO 912 Ca 0.59 2.33 0.05 0.00 0.02 0.00 0.00 61.00 64.00 2gs6 s PRO 912 Cb -0.24 -3.16 0.71 0.00 0.02 0.00 0.00 34.50 31.83 2gs6 s PRO 912 CO 0.19 -0.58 1.21 -2.30 -0.33 0.00 0.00 177.00 175.19 2gs6 n PRO 913 N 3.92 -0.06 0.00 5.54 -0.02 -1.26 0.90 135.00 144.02 2gs6 n PRO 913 Ca 0.13 1.13 0.15 0.00 -2.02 0.00 0.00 63.50 62.89 2gs6 n PRO 913 Cb 0.39 -1.86 0.76 0.00 -0.02 0.00 0.00 33.50 32.77 2gs6 n PRO 913 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 2gs6 n ILE 914 N -4.99 0.00 -3.23 4.25 -5.35 -1.26 -4.88 119.36 103.90 2gs6 n ILE 914 Ca 0.21 -0.01 -0.39 0.00 -0.27 0.00 0.00 62.75 62.30 2gs6 n ILE 914 Cb 0.70 -0.45 -0.06 0.00 -1.74 0.00 0.00 39.64 38.09 2gs6 n ILE 914 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2gs6 s THR 916 N -1.12 3.03 0.51 0.00 -4.23 -0.95 -4.88 115.64 108.00 2gs6 s THR 916 Ca 0.30 -0.21 0.30 0.00 -1.18 0.00 0.00 61.69 60.91 2gs6 s THR 916 Cb -0.20 -3.23 0.34 0.00 1.34 0.00 0.00 72.50 70.75 2gs6 s THR 916 CO 0.20 -0.23 2.18 -0.29 -0.54 0.00 0.00 174.62 175.94 2gs6 h ILE 917 N -0.28 0.49 0.37 2.99 2.10 -1.97 -2.43 117.51 118.78 2gs6 h ILE 917 Ca -0.45 -0.25 -0.02 0.00 1.08 0.00 0.00 64.86 65.23 2gs6 h ILE 917 Cb 1.28 1.16 0.00 0.00 -1.09 0.00 0.00 36.82 38.18 2gs6 h ILE 917 CO 0.59 0.05 -0.18 0.44 -1.08 0.00 0.00 178.15 177.98 2gs6 h ASP 918 N 0.00 -0.42 -0.15 2.19 5.19 -1.92 -0.23 116.42 121.09 2gs6 h ASP 918 Ca -0.00 -0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.38 2gs6 h ASP 918 Cb 0.16 0.11 -0.00 0.00 0.18 0.00 0.00 39.33 39.77 2gs6 h ASP 918 CO 0.01 -0.28 -0.02 0.58 -3.12 0.00 0.00 179.24 176.41 2gs6 h VAL 919 N -0.52 1.27 -0.84 -1.35 2.07 -1.75 -3.00 116.25 112.13 2gs6 h VAL 919 Ca -0.05 -0.92 0.10 0.00 0.82 0.00 0.00 66.70 66.65 2gs6 h VAL 919 Cb 0.39 1.59 -0.06 0.00 -1.52 0.00 0.00 31.29 31.70 2gs6 h VAL 919 CO 0.08 0.27 0.55 0.22 0.02 0.00 0.00 177.57 178.71 2gs6 h TYR 920 N -0.01 0.86 -0.70 1.57 -0.00 -1.44 -1.12 116.97 116.13 2gs6 h TYR 920 Ca 0.04 0.02 0.03 0.00 -0.00 0.00 0.00 58.73 58.82 2gs6 h TYR 920 Cb 0.42 -0.28 -0.04 0.00 -0.00 0.00 0.00 36.73 36.83 2gs6 h TYR 920 CO 0.04 0.39 0.44 1.98 -0.00 0.00 0.00 178.16 181.02 2gs6 h MET 921 N 0.80 0.84 -0.41 1.82 4.05 -0.92 0.22 114.93 121.32 2gs6 h MET 921 Ca 0.39 -0.05 -0.02 0.00 -0.28 0.00 0.00 59.70 59.74 2gs6 h MET 921 Cb 0.45 -0.19 -0.02 0.00 -0.80 0.00 0.00 31.60 31.04 2gs6 h MET 921 CO -0.16 0.55 0.19 0.82 0.23 0.00 0.00 176.91 178.54 2gs6 h ILE 922 N 0.86 1.19 -0.09 1.77 2.04 -1.09 -0.82 117.51 121.36 2gs6 h ILE 922 Ca 0.28 -0.55 0.01 0.00 1.00 0.00 0.00 64.86 65.60 2gs6 h ILE 922 Cb 0.02 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 36.87 2gs6 h ILE 922 CO -0.11 0.20 0.02 0.24 0.00 0.00 0.00 178.15 178.51 2gs6 h MET 923 N 0.53 0.06 -0.64 2.37 2.86 -0.97 -2.55 114.93 116.59 2gs6 h MET 923 Ca 0.14 -0.00 0.07 0.00 -2.06 0.00 0.00 59.70 57.84 2gs6 h MET 923 Cb 0.15 -0.01 -0.06 0.00 0.06 0.00 0.00 31.60 31.74 2gs6 h MET 923 CO -0.02 0.04 0.33 0.28 1.06 0.00 0.00 176.91 178.60 2gs6 h VAL 924 N 0.06 0.92 -0.12 -2.22 2.07 -0.71 0.19 116.25 116.44 2gs6 h VAL 924 Ca 0.04 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.36 2gs6 h VAL 924 Cb 0.03 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.06 2gs6 h VAL 924 CO -0.05 0.11 0.08 0.11 0.02 0.00 0.00 177.57 177.84 2gs6 h LYS 925 N 0.60 0.16 0.00 1.57 1.57 -0.92 0.18 116.57 119.73 2gs6 h LYS 925 Ca 0.30 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.07 2gs6 h LYS 925 Cb 0.24 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.51 2gs6 h LYS 925 CO -0.21 0.11 0.00 0.00 -0.57 0.00 0.00 179.45 178.77 2gs6 n TRP 927 N -2.77 1.47 -2.26 0.00 8.01 0.64 -3.88 117.44 118.64 2gs6 n TRP 927 Ca 0.01 -1.21 -0.35 0.00 -1.31 0.00 0.00 57.50 54.64 2gs6 n TRP 927 Cb 0.24 -0.49 0.00 0.00 -2.01 0.00 0.00 31.31 29.05 2gs6 n TRP 927 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.69 175.04 2gs6 s MET 928 N -3.02 3.38 0.22 -0.99 -1.94 -1.13 -4.93 119.30 110.89 2gs6 s MET 928 Ca 0.47 1.56 -0.06 0.00 -1.71 0.00 0.00 55.69 55.95 2gs6 s MET 928 Cb 0.39 -2.01 0.19 0.00 2.01 0.00 0.00 34.83 35.41 2gs6 s MET 928 CO 0.07 -0.82 1.72 0.82 -0.01 0.00 0.00 175.02 176.81 2gs6 h ILE 929 N 1.16 1.26 -2.31 2.53 5.03 -1.94 -3.39 117.51 119.84 2gs6 h ILE 929 Ca -0.50 -1.01 -0.59 0.00 -0.12 0.00 0.00 64.86 62.64 2gs6 h ILE 929 Cb 1.25 0.69 -0.11 0.00 -3.03 0.00 0.00 36.82 35.62 2gs6 h ILE 929 CO 0.57 0.38 0.91 -0.62 -0.68 0.00 0.00 178.15 178.71 2gs6 s ASP 930 N -6.54 6.25 0.23 1.72 3.68 -1.26 -4.90 116.67 115.85 2gs6 s ASP 930 Ca -0.11 -0.90 -0.13 0.00 2.13 0.00 0.00 52.55 53.53 2gs6 s ASP 930 Cb 0.15 -2.50 0.30 0.00 -1.45 0.00 0.00 42.92 39.42 2gs6 s ASP 930 CO 0.84 -1.59 1.47 0.00 0.13 0.00 0.00 175.17 176.01 2gs6 n ALA 931 N 8.49 0.01 0.23 3.66 0.00 -1.26 0.63 120.51 132.26 2gs6 n ALA 931 Ca 0.06 0.98 0.05 0.00 0.00 0.00 0.00 53.44 54.53 2gs6 n ALA 931 Cb 0.48 -0.49 0.23 0.00 0.00 0.00 0.00 19.45 19.67 2gs6 n ALA 931 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2gs6 n ASP 932 N -5.44 0.15 0.03 0.00 10.43 -1.26 -1.48 116.55 118.98 2gs6 n ASP 932 Ca 0.12 0.55 -0.09 0.00 2.57 0.00 0.00 54.79 57.94 2gs6 n ASP 932 Cb 0.41 -0.58 -0.13 0.00 1.84 0.00 0.00 41.12 42.66 2gs6 n ASP 932 CO 0.00 0.00 0.00 0.28 -1.07 0.00 0.00 177.20 176.41 2gs6 h SER 933 N 0.00 0.05 -4.26 -2.24 0.02 -0.19 -3.46 113.55 103.47 2gs6 h SER 933 Ca 0.00 -0.07 -0.52 0.00 -0.84 0.00 0.00 61.79 60.36 2gs6 h SER 933 Cb 0.12 -0.02 0.19 0.00 0.14 0.00 0.00 62.40 62.84 2gs6 h SER 933 CO 0.00 1.05 0.25 -0.13 -1.14 0.00 0.00 176.83 176.87 2gs6 s ARG 934 N -2.66 1.15 0.83 3.45 0.52 -0.55 -4.97 118.95 116.71 2gs6 s ARG 934 Ca -0.02 1.61 -0.12 0.00 -0.52 0.00 0.00 55.73 56.68 2gs6 s ARG 934 Cb 0.09 -1.74 0.09 0.00 0.52 0.00 0.00 34.95 33.91 2gs6 s ARG 934 CO 0.83 -2.55 1.10 -1.25 0.02 0.00 0.00 175.30 173.45 2gs6 s PRO 935 N -4.52 1.85 0.20 3.54 0.04 -1.26 -5.03 135.00 129.81 2gs6 s PRO 935 Ca 0.68 0.59 -0.05 0.00 0.04 0.00 0.00 61.00 62.27 2gs6 s PRO 935 Cb -0.24 -1.89 -0.06 0.00 0.04 0.00 0.00 34.50 32.35 2gs6 s PRO 935 CO 0.56 -1.78 0.45 0.15 0.04 0.00 0.00 177.00 176.43 2gs6 s LYS 936 N -5.16 3.64 0.23 4.56 -0.14 -1.26 -4.95 119.74 116.67 2gs6 s LYS 936 Ca 0.62 -0.04 -0.06 0.00 -1.36 0.00 0.00 55.97 55.12 2gs6 s LYS 936 Cb -0.15 -2.76 0.32 0.00 -1.68 0.00 0.00 37.83 33.56 2gs6 s LYS 936 CO 0.54 0.37 1.83 0.74 -0.76 0.00 0.00 175.35 178.07 2gs6 h PHE 937 N 2.37 0.86 -0.95 3.18 0.04 -1.96 -0.03 116.94 120.44 2gs6 h PHE 937 Ca -0.47 0.03 0.11 0.00 2.80 0.00 0.00 57.97 60.44 2gs6 h PHE 937 Cb 1.18 -0.27 -0.07 0.00 2.20 0.00 0.00 35.95 38.98 2gs6 h PHE 937 CO 0.59 0.41 0.61 0.07 -0.60 0.00 0.00 178.31 179.39 2gs6 h ARG 938 N 0.83 0.90 -0.27 1.51 0.11 -1.94 0.16 114.38 115.68 2gs6 h ARG 938 Ca 0.36 -0.05 -0.12 0.00 0.10 0.00 0.00 59.98 60.27 2gs6 h ARG 938 Cb 0.23 -0.20 -0.00 0.00 1.11 0.00 0.00 29.97 31.10 2gs6 h ARG 938 CO -0.20 0.59 -0.29 0.93 0.10 0.00 0.00 179.97 181.11 2gs6 h GLU 939 N 0.93 0.67 -0.50 0.08 5.08 -1.57 -2.80 114.58 116.46 2gs6 h GLU 939 Ca 0.46 -0.36 0.07 0.00 -1.00 0.00 0.00 59.36 58.53 2gs6 h GLU 939 Cb 0.47 0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.68 2gs6 h GLU 939 CO -0.22 0.97 0.16 -0.07 -1.00 0.00 0.00 179.01 178.86 2gs6 h LEU 940 N 0.40 0.15 -0.43 1.33 4.07 0.48 0.27 115.31 121.56 2gs6 h LEU 940 Ca 0.04 0.07 0.06 0.00 0.08 0.00 0.00 57.88 58.13 2gs6 h LEU 940 Cb 0.86 0.06 -0.05 0.00 1.08 0.00 0.00 40.66 42.61 2gs6 h LEU 940 CO 0.07 0.11 0.13 0.40 -1.08 0.00 0.00 178.44 178.07 2gs6 h ILE 941 N 0.33 0.83 0.17 1.22 2.04 -0.69 -1.72 117.51 119.69 2gs6 h ILE 941 Ca 0.24 -0.10 -0.01 0.00 1.00 0.00 0.00 64.86 66.00 2gs6 h ILE 941 Cb 0.28 0.52 0.00 0.00 -0.74 0.00 0.00 36.82 36.88 2gs6 h ILE 941 CO -0.26 0.05 -0.08 0.40 0.00 0.00 0.00 178.15 178.26 2gs6 h ILE 942 N 0.28 0.85 -0.05 -0.67 2.04 -1.04 -1.56 117.51 117.37 2gs6 h ILE 942 Ca 0.21 -0.05 0.04 0.00 1.00 0.00 0.00 64.86 66.05 2gs6 h ILE 942 Cb 0.22 0.88 -0.05 0.00 -0.74 0.00 0.00 36.82 37.14 2gs6 h ILE 942 CO -0.23 0.01 -0.25 -0.33 0.00 0.00 0.00 178.15 177.35 2gs6 h GLU 943 N -0.25 -0.35 0.00 2.37 4.39 -0.65 -2.12 114.58 117.98 2gs6 h GLU 943 Ca -0.02 0.02 -0.07 0.00 0.34 0.00 0.00 59.36 59.63 2gs6 h GLU 943 Cb 0.19 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.91 2gs6 h GLU 943 CO 0.04 -0.23 -0.35 0.74 -1.16 0.00 0.00 179.01 178.05 2gs6 h PHE 944 N -0.36 0.00 0.19 4.33 0.04 -1.35 -2.59 116.94 117.20 2gs6 h PHE 944 Ca 0.08 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.84 2gs6 h PHE 944 Cb 0.47 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.62 2gs6 h PHE 944 CO -0.31 0.35 -0.09 0.77 -0.60 0.00 0.00 178.31 178.43 2gs6 h SER 945 N 0.00 -0.22 -0.36 2.17 0.02 -0.82 -0.04 113.55 114.30 2gs6 h SER 945 Ca -0.00 -0.10 0.07 0.00 -0.84 0.00 0.00 61.79 60.92 2gs6 h SER 945 Cb 0.74 0.06 -0.07 0.00 0.14 0.00 0.00 62.40 63.27 2gs6 h SER 945 CO 0.05 -0.04 -0.07 0.11 -1.14 0.00 0.00 176.83 175.74 2gs6 h LYS 946 N -0.40 0.02 -0.13 3.45 1.57 -1.29 -1.02 116.57 118.77 2gs6 h LYS 946 Ca -0.03 -0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 2gs6 h LYS 946 Cb 0.31 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 2gs6 h LYS 946 CO 0.04 0.01 -0.02 0.52 -0.57 0.00 0.00 179.45 179.43 2gs6 h MET 947 N 0.02 0.18 0.00 3.15 2.86 -1.29 -1.61 114.93 118.24 2gs6 h MET 947 Ca 0.17 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.79 2gs6 h MET 947 Cb 0.26 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 31.88 2gs6 h MET 947 CO -0.35 0.23 -0.00 0.00 1.06 0.00 0.00 176.91 177.85 2gs6 h ALA 948 N 1.80 1.01 0.00 6.32 0.00 0.38 -1.65 119.26 127.12 2gs6 h ALA 948 Ca 0.04 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2gs6 h ALA 948 Cb 0.17 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2gs6 h ALA 948 CO 0.01 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.80 2gs6 n ARG 949 N -3.10 0.06 -2.86 0.00 1.74 -0.61 -3.95 116.66 107.95 2gs6 n ARG 949 Ca -0.01 0.13 -0.12 0.00 -0.77 0.00 0.00 57.85 57.08 2gs6 n ARG 949 Cb 0.18 -1.58 0.05 0.00 -1.02 0.00 0.00 32.46 30.10 2gs6 n ARG 949 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2gs6 n ASP 950 N -1.68 -1.51 -0.36 0.55 4.64 -0.66 -5.06 116.55 112.48 2gs6 n ASP 950 Ca 0.06 -3.48 -0.11 0.00 -1.38 0.00 0.00 54.79 49.87 2gs6 n ASP 950 Cb 0.31 1.22 -0.10 0.00 -1.04 0.00 0.00 41.12 41.50 2gs6 n ASP 950 CO 0.00 0.00 0.00 -0.65 -0.82 0.00 0.00 177.20 175.73 2gs6 h PRO 951 N 3.09 -0.07 0.00 -0.67 0.11 -1.59 -1.69 132.00 131.19 2gs6 h PRO 951 Ca -0.05 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.07 2gs6 h PRO 951 Cb 1.06 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.18 2gs6 h PRO 951 CO 0.25 -0.05 0.01 1.04 -0.21 0.00 0.00 178.00 179.04 2gs6 n GLN 952 N -5.22 0.00 0.07 1.05 6.02 -1.26 -0.95 117.38 117.09 2gs6 n GLN 952 Ca 0.01 0.45 0.12 0.00 -0.01 0.00 0.00 57.00 57.58 2gs6 n GLN 952 Cb 0.27 -1.51 0.27 0.00 1.02 0.00 0.00 30.24 30.29 2gs6 n GLN 952 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 2gs6 n ARG 953 N -1.45 0.25 -0.00 -1.09 0.63 -0.63 -4.19 116.66 110.17 2gs6 n ARG 953 Ca 0.00 0.12 0.00 0.00 -0.92 0.00 0.00 57.85 57.05 2gs6 n ARG 953 Cb 0.01 -1.71 -0.01 0.00 0.45 0.00 0.00 32.46 31.21 2gs6 n ARG 953 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 2gs6 n TYR 954 N -2.10 0.00 -3.95 -0.14 4.02 -0.12 -4.94 117.16 109.92 2gs6 n TYR 954 Ca 0.04 0.00 -0.29 0.00 -0.01 0.00 0.00 57.90 57.65 2gs6 n TYR 954 Cb 0.43 -0.02 -0.17 0.00 -0.02 0.00 0.00 39.34 39.56 2gs6 n TYR 954 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 2gs6 s LEU 955 N -3.34 1.54 -0.88 7.72 1.43 -0.82 -2.23 118.68 122.11 2gs6 s LEU 955 Ca -0.00 -0.49 -0.13 0.00 -1.03 0.00 0.00 54.13 52.47 2gs6 s LEU 955 Cb 0.00 -1.01 0.22 0.00 0.03 0.00 0.00 46.19 45.44 2gs6 s LEU 955 CO 0.03 -0.11 0.85 -0.69 0.23 0.00 0.00 176.35 176.66 2gs6 s VAL 956 N 1.59 5.62 -0.18 -1.59 1.01 -0.04 -4.31 120.40 122.51 2gs6 s VAL 956 Ca 0.04 -2.58 -0.06 0.00 0.00 0.00 0.00 61.98 59.37 2gs6 s VAL 956 Cb -0.13 -4.51 -0.04 0.00 0.00 0.00 0.00 36.38 31.69 2gs6 s VAL 956 CO -0.09 -1.09 0.04 -0.63 0.00 0.00 0.00 175.10 173.33 2gs6 s ILE 957 N 0.09 4.55 0.26 2.22 1.01 -1.26 -4.60 121.20 123.46 2gs6 s ILE 957 Ca 0.21 -0.12 -0.30 0.00 0.00 0.00 0.00 60.65 60.44 2gs6 s ILE 957 Cb -0.10 -3.04 -0.10 0.00 0.01 0.00 0.00 42.46 39.23 2gs6 s ILE 957 CO -0.09 0.46 1.48 -1.58 0.00 0.00 0.00 174.94 175.21 2gs6 s GLN 958 N 0.41 4.23 -1.84 2.79 0.74 -1.26 -2.12 119.66 122.61 2gs6 s GLN 958 Ca 0.01 2.36 0.00 0.00 0.05 0.00 0.00 55.36 57.79 2gs6 s GLN 958 Cb -0.13 -3.09 0.00 0.00 1.10 0.00 0.00 33.01 30.89 2gs6 s GLN 958 CO 0.01 -0.47 0.00 0.41 -0.55 0.00 0.00 175.29 174.69 2gs6 n GLY 959 N 2.23 1.46 0.29 2.59 0.00 -1.26 -4.85 105.19 105.65 2gs6 n GLY 959 Ca 0.07 -0.16 0.19 0.00 0.00 0.00 0.00 46.02 46.12 2gs6 n GLY 959 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2gs6 h ASP 960 N 0.00 0.00 0.68 1.61 3.58 -1.82 -2.73 116.42 117.74 2gs6 h ASP 960 Ca -0.37 0.00 -0.14 0.00 0.42 0.00 0.00 57.03 56.94 2gs6 h ASP 960 Cb 1.18 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.21 2gs6 h ASP 960 CO 0.53 0.00 -0.65 -0.08 -2.88 0.00 0.00 179.24 176.16 2gs6 h GLU 961 N 0.00 0.00 -0.28 0.28 4.57 -1.89 -3.28 114.58 113.98 2gs6 h GLU 961 Ca 0.00 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.16 2gs6 h GLU 961 Cb 0.20 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.78 2gs6 h GLU 961 CO 0.00 0.65 0.00 0.54 -1.18 0.00 0.00 179.01 179.03 2gs6 n ARG 962 N -3.73 2.90 -3.29 1.92 5.12 -1.03 -4.99 116.66 113.55 2gs6 n ARG 962 Ca -0.01 -2.88 -0.39 0.00 -1.93 0.00 0.00 57.85 52.64 2gs6 n ARG 962 Cb 0.65 -1.86 -0.07 0.00 -1.16 0.00 0.00 32.46 30.02 2gs6 n ARG 962 CO 0.00 0.00 0.00 -1.64 -1.93 0.00 0.00 177.63 174.06 2gs6 s MET 963 N -2.87 4.21 0.06 5.56 -1.94 -1.22 -5.06 119.30 118.03 2gs6 s MET 963 Ca 0.43 0.36 0.02 0.00 -1.71 0.00 0.00 55.69 54.79 2gs6 s MET 963 Cb 0.35 -3.54 -0.03 0.00 2.01 0.00 0.00 34.83 33.63 2gs6 s MET 963 CO 0.08 -0.07 -0.07 -1.58 -0.01 0.00 0.00 175.02 173.37 2gs6 s HIS 964 N 1.40 0.68 -0.06 -0.03 2.46 -1.26 -4.76 115.29 113.71 2gs6 s HIS 964 Ca 0.23 -0.65 0.03 0.00 0.47 0.00 0.00 55.06 55.14 2gs6 s HIS 964 Cb -0.15 -0.41 0.01 0.00 -0.13 0.00 0.00 32.58 31.89 2gs6 s HIS 964 CO 0.09 -0.13 -0.15 -0.51 -2.47 0.00 0.00 174.74 171.57 2gs6 s LEU 965 N -2.05 1.80 0.00 8.88 1.43 -1.26 -4.92 118.68 122.56 2gs6 s LEU 965 Ca -0.04 -0.36 0.00 0.00 -1.03 0.00 0.00 54.13 52.71 2gs6 s LEU 965 Cb -0.05 -0.96 0.00 0.00 0.03 0.00 0.00 46.19 45.21 2gs6 s LEU 965 CO -0.02 0.09 0.00 -2.65 0.23 0.00 0.00 176.35 174.00 2gs6 n PRO 966 N 3.58 1.37 -3.55 1.29 -0.02 -1.26 -4.95 135.00 131.46 2gs6 n PRO 966 Ca -0.21 0.00 -0.11 0.00 -2.02 0.00 0.00 63.50 61.16 2gs6 n PRO 966 Cb 0.52 0.00 -0.02 0.00 -0.02 0.00 0.00 33.50 33.98 2gs6 n PRO 966 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2gs6 s SER 967 N -2.25 -0.45 0.12 2.55 0.15 -1.26 -4.61 113.70 107.95 2gs6 s SER 967 Ca 0.00 -0.19 -0.13 0.00 0.70 0.00 0.00 55.95 56.33 2gs6 s SER 967 Cb 0.00 0.60 -0.05 0.00 -1.71 0.00 0.00 66.02 64.87 2gs6 s SER 967 CO 0.00 -1.03 1.48 1.05 1.20 0.00 0.00 173.24 175.95 2gs6 h GLU 981 N 2.06 0.80 -3.12 5.44 4.11 -1.97 -3.52 114.58 118.37 2gs6 h GLU 981 Ca -0.31 -0.37 -0.49 0.00 0.07 0.00 0.00 59.36 58.26 2gs6 h GLU 981 Cb 1.29 -0.01 -0.41 0.00 0.50 0.00 0.00 28.75 30.12 2gs6 h GLU 981 CO 0.36 0.99 -0.76 -0.51 0.07 0.00 0.00 179.01 179.17 2gs6 s ASP 982 N -6.55 2.81 -0.54 3.06 1.01 -1.26 -5.09 116.67 110.12 2gs6 s ASP 982 Ca -0.12 -0.86 -0.32 0.00 0.71 0.00 0.00 52.55 51.96 2gs6 s ASP 982 Cb 0.10 -0.37 -0.13 0.00 1.01 0.00 0.00 42.92 43.53 2gs6 s ASP 982 CO 0.84 -0.36 2.36 0.23 0.21 0.00 0.00 175.17 178.44 2gs6 n MET 983 N 5.20 0.78 0.03 8.23 2.81 -1.26 -4.30 117.12 128.62 2gs6 n MET 983 Ca -0.07 0.14 0.00 0.00 -1.81 0.00 0.00 57.70 55.96 2gs6 n MET 983 Cb 0.47 -2.44 0.00 0.00 -0.71 0.00 0.00 33.22 30.53 2gs6 n MET 983 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 2gs6 n ASP 984 N 11.39 -0.62 -0.84 7.83 8.00 -1.26 -4.92 116.55 136.13 2gs6 n ASP 984 Ca 0.46 0.13 0.09 0.00 0.71 0.00 0.00 54.79 56.18 2gs6 n ASP 984 Cb 0.25 1.00 0.25 0.00 -0.02 0.00 0.00 41.12 42.60 2gs6 n ASP 984 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2gs6 n ASP 985 N -2.63 3.77 -4.71 -2.24 8.00 -1.26 -5.00 116.55 112.49 2gs6 n ASP 985 Ca 0.00 -3.04 -0.42 0.00 0.71 0.00 0.00 54.79 52.04 2gs6 n ASP 985 Cb 0.00 -0.54 -0.03 0.00 -0.02 0.00 0.00 41.12 40.53 2gs6 n ASP 985 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2gs6 s VAL 986 N -2.84 3.80 -0.05 2.53 1.01 -1.26 -1.74 120.40 121.85 2gs6 s VAL 986 Ca 0.42 1.26 0.01 0.00 0.00 0.00 0.00 61.98 63.67 2gs6 s VAL 986 Cb 0.34 -3.81 0.02 0.00 0.00 0.00 0.00 36.38 32.93 2gs6 s VAL 986 CO 0.08 0.07 -0.06 -0.69 0.00 0.00 0.00 175.10 174.50 2gs6 s VAL 987 N 1.47 0.67 0.56 2.92 1.01 -0.05 -4.90 120.40 122.07 2gs6 s VAL 987 Ca 0.61 -0.20 -0.19 0.00 0.00 0.00 0.00 61.98 62.20 2gs6 s VAL 987 Cb -0.31 -0.67 -0.05 0.00 0.00 0.00 0.00 36.38 35.35 2gs6 s VAL 987 CO 0.28 0.25 1.17 -0.62 0.00 0.00 0.00 175.10 176.18 2gs6 s ASP 988 N 0.87 5.55 0.48 3.32 2.15 -1.26 -4.18 116.67 123.60 2gs6 s ASP 988 Ca -0.12 2.28 0.22 0.00 0.43 0.00 0.00 52.55 55.36 2gs6 s ASP 988 Cb -0.15 -2.59 1.25 0.00 -0.30 0.00 0.00 42.92 41.13 2gs6 s ASP 988 CO 0.01 -1.34 1.92 0.00 -0.17 0.00 0.00 175.17 175.59 2gs6 h ALA 989 N 1.15 2.40 0.00 3.66 0.00 -1.92 0.85 119.26 125.40 2gs6 h ALA 989 Ca -0.50 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2gs6 h ALA 989 Cb 1.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2gs6 h ALA 989 CO 0.56 -0.61 0.00 -0.25 0.00 0.00 0.00 179.25 178.95 2gs6 n ASP 990 N -4.41 0.00 -0.31 0.00 8.00 -1.26 -1.70 116.55 116.86 2gs6 n ASP 990 Ca 0.15 0.48 0.04 0.00 0.71 0.00 0.00 54.79 56.17 2gs6 n ASP 990 Cb 0.67 -0.49 0.04 0.00 -0.02 0.00 0.00 41.12 41.32 2gs6 n ASP 990 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2gs6 n GLU 991 N -1.49 0.30 -3.66 -1.24 4.71 0.28 -4.77 120.64 114.77 2gs6 n GLU 991 Ca 0.02 -1.03 -0.36 0.00 -0.01 0.00 0.00 57.16 55.78 2gs6 n GLU 991 Cb 0.11 -1.15 -0.07 0.00 -1.01 0.00 0.00 31.44 29.32 2gs6 n GLU 991 CO 0.00 0.00 0.00 -0.47 0.09 0.00 0.00 177.13 176.75 2gs6 s TYR 992 N -0.66 3.70 -1.19 -0.32 6.14 -0.69 -4.98 117.35 119.36 2gs6 s TYR 992 Ca 0.09 -2.89 -0.11 0.00 0.64 0.00 0.00 57.07 54.81 2gs6 s TYR 992 Cb 0.06 -3.24 0.21 0.00 0.42 0.00 0.00 41.96 39.41 2gs6 s TYR 992 CO 0.09 -0.78 1.48 1.28 0.64 0.00 0.00 175.55 178.26 2gs6 n LEU 993 N 2.79 5.74 -4.77 6.97 4.77 -1.26 -4.93 117.00 126.31 2gs6 n LEU 993 Ca 0.16 -4.70 -0.39 0.00 -0.03 0.00 0.00 56.01 51.05 2gs6 n LEU 993 Cb 0.38 -1.52 -0.03 0.00 -2.33 0.00 0.00 43.42 39.92 2gs6 n LEU 993 CO 0.35 1.11 0.82 -0.51 -1.33 0.00 0.00 177.39 177.83 2gs6 s ILE 994 N 0.24 3.28 -0.60 -0.08 1.10 -1.26 -5.24 121.20 118.64 2gs6 s ILE 994 Ca 0.38 1.12 0.00 0.00 -0.51 0.00 0.00 60.65 61.65 2gs6 s ILE 994 Cb -0.01 -3.65 0.00 0.00 0.15 0.00 0.00 42.46 38.95 2gs6 s ILE 994 CO -0.00 0.14 0.15 -2.65 -2.11 0.00 0.00 174.94 170.47