#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2q7i h ILE 672 N 0.00 0.93 -0.14 0.52 1.08 -2.06 -1.43 117.51 116.41 2q7i h ILE 672 Ca 0.00 -0.08 0.00 0.00 -0.39 0.00 0.00 64.86 64.39 2q7i h ILE 672 Cb 0.00 0.66 -0.01 0.00 -3.07 0.00 0.00 36.82 34.41 2q7i h ILE 672 CO 0.00 0.04 0.09 0.15 -0.69 0.00 0.00 178.15 177.75 2q7i h PHE 673 N 0.24 0.19 -0.21 1.37 3.57 -2.04 -1.59 116.94 118.47 2q7i h PHE 673 Ca 0.13 0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.53 2q7i h PHE 673 Cb 0.09 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.76 2q7i h PHE 673 CO -0.13 0.14 -0.33 -0.07 -2.23 0.00 0.00 178.31 175.69 2q7i h LEU 674 N 0.18 0.45 -0.50 0.59 3.38 -1.98 -1.94 115.31 115.50 2q7i h LEU 674 Ca 0.05 -0.17 0.09 0.00 0.09 0.00 0.00 57.88 57.94 2q7i h LEU 674 Cb 0.00 -0.12 -0.07 0.00 0.09 0.00 0.00 40.66 40.55 2q7i h LEU 674 CO -0.01 0.76 0.08 0.78 0.09 0.00 0.00 178.44 180.13 2q7i h ASN 675 N 0.38 -0.05 -0.11 -0.43 2.35 -0.81 -1.60 115.58 115.32 2q7i h ASN 675 Ca 0.05 0.10 -0.01 0.00 -0.55 0.00 0.00 56.30 55.88 2q7i h ASN 675 Cb 0.76 0.14 -0.00 0.00 0.05 0.00 0.00 38.32 39.27 2q7i h ASN 675 CO 0.06 0.00 0.02 0.58 -1.65 0.00 0.00 177.43 176.44 2q7i h VAL 676 N 0.21 1.21 -0.87 2.81 2.07 -0.91 -1.56 116.25 119.21 2q7i h VAL 676 Ca 0.25 -0.65 0.02 0.00 0.82 0.00 0.00 66.70 67.14 2q7i h VAL 676 Cb 0.35 1.44 -0.05 0.00 -1.52 0.00 0.00 31.29 31.52 2q7i h VAL 676 CO -0.35 0.19 0.56 -0.07 0.02 0.00 0.00 177.57 177.92 2q7i h LEU 677 N -0.05 0.95 -0.64 2.57 3.38 -1.18 -1.06 115.31 119.29 2q7i h LEU 677 Ca 0.03 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.88 2q7i h LEU 677 Cb 0.28 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 2q7i h LEU 677 CO 0.00 0.67 -0.08 -0.33 0.09 0.00 0.00 178.44 178.79 2q7i h GLU 678 N 1.12 0.98 -0.39 1.13 4.39 -1.26 -3.02 114.58 117.53 2q7i h GLU 678 Ca 0.33 -0.34 -0.08 0.00 0.34 0.00 0.00 59.36 59.62 2q7i h GLU 678 Cb -0.05 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.51 2q7i h GLU 678 CO -0.10 1.02 -0.07 0.00 -1.16 0.00 0.00 179.01 178.70 2q7i h ALA 679 N 1.01 1.15 -0.01 3.43 0.00 -0.55 -3.19 119.26 121.10 2q7i h ALA 679 Ca 0.14 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2q7i h ALA 679 Cb 0.63 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2q7i h ALA 679 CO 0.04 0.54 -0.23 0.44 0.00 0.00 0.00 179.25 180.05 2q7i n ILE 680 N -4.20 0.00 -1.87 0.00 -5.35 -0.47 -4.96 119.36 102.51 2q7i n ILE 680 Ca 0.01 -0.24 -0.42 0.00 -0.27 0.00 0.00 62.75 61.83 2q7i n ILE 680 Cb 0.32 0.82 -0.03 0.00 -1.74 0.00 0.00 39.64 39.01 2q7i n ILE 680 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 2q7i s GLU 681 N -2.32 4.18 0.61 6.28 2.56 -1.15 -4.77 118.70 124.10 2q7i s GLU 681 Ca 0.26 2.40 -0.18 0.00 0.00 0.00 0.00 54.97 57.44 2q7i s GLU 681 Cb 0.19 -3.74 -0.04 0.00 2.00 0.00 0.00 34.13 32.55 2q7i s GLU 681 CO 0.46 -0.80 1.09 -2.30 -0.56 0.00 0.00 175.26 173.16 2q7i n PRO 682 N 6.13 1.01 0.00 4.30 -0.02 -1.26 -5.04 135.00 140.12 2q7i n PRO 682 Ca 0.17 0.39 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 2q7i n PRO 682 Cb 0.41 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.58 2q7i n PRO 682 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2q7i n GLY 683 N 1.14 0.76 3.74 -1.23 0.00 -1.26 -5.04 105.19 103.29 2q7i n GLY 683 Ca 0.14 -1.65 -0.41 0.00 0.00 0.00 0.00 46.02 44.10 2q7i n GLY 683 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2q7i s VAL 684 N 0.73 3.81 -0.12 1.61 1.01 -1.26 -5.05 120.40 121.13 2q7i s VAL 684 Ca 0.00 1.57 0.01 0.00 0.00 0.00 0.00 61.98 63.56 2q7i s VAL 684 Cb 0.00 -4.00 0.02 0.00 0.00 0.00 0.00 36.38 32.39 2q7i s VAL 684 CO 0.00 0.28 -0.14 -0.69 0.00 0.00 0.00 175.10 174.54 2q7i s VAL 685 N -0.29 1.48 0.19 2.92 1.01 -1.26 -5.13 120.40 119.33 2q7i s VAL 685 Ca 0.49 -0.62 -0.06 0.00 0.00 0.00 0.00 61.98 61.80 2q7i s VAL 685 Cb -0.30 -1.37 -0.06 0.00 0.00 0.00 0.00 36.38 34.65 2q7i s VAL 685 CO 0.36 0.44 0.45 0.00 0.00 0.00 0.00 175.10 176.34 2q7i h ALA 687 N 2.50 0.69 -0.16 0.00 0.00 -1.91 -3.46 119.26 116.92 2q7i h ALA 687 Ca -0.47 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.12 2q7i h ALA 687 Cb 1.17 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 2q7i h ALA 687 CO 0.70 0.32 -0.05 0.41 0.00 0.00 0.00 179.25 180.63 2q7i n GLY 688 N 1.22 0.53 3.74 0.00 0.00 -1.26 -4.43 105.19 104.98 2q7i n GLY 688 Ca -0.01 -0.93 -0.41 0.00 0.00 0.00 0.00 46.02 44.67 2q7i n GLY 688 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2q7i s HIS 689 N -2.10 3.35 -0.70 1.61 5.04 -1.26 -4.97 115.29 116.26 2q7i s HIS 689 Ca 0.00 1.35 -0.24 0.00 -1.54 0.00 0.00 55.06 54.62 2q7i s HIS 689 Cb 0.00 -3.50 0.05 0.00 0.04 0.00 0.00 32.58 29.17 2q7i s HIS 689 CO 0.00 -1.48 1.10 0.34 -2.34 0.00 0.00 174.74 172.37 2q7i s ASP 690 N 0.18 6.17 0.00 9.88 -1.08 -1.26 -4.88 116.67 125.68 2q7i s ASP 690 Ca 0.54 -0.77 0.21 0.00 -0.52 0.00 0.00 52.55 52.01 2q7i s ASP 690 Cb -0.34 -2.48 1.05 0.00 -1.46 0.00 0.00 42.92 39.69 2q7i s ASP 690 CO 0.38 -1.61 1.67 0.59 0.52 0.00 0.00 175.17 176.71 2q7i n ASN 691 N 8.43 0.00 0.12 -0.34 3.02 -1.26 -2.73 115.26 122.50 2q7i n ASN 691 Ca -0.01 0.01 0.02 0.00 -0.03 0.00 0.00 54.58 54.57 2q7i n ASN 691 Cb 0.47 -0.29 0.00 0.00 -0.61 0.00 0.00 39.78 39.35 2q7i n ASN 691 CO 0.00 0.00 0.00 0.78 -2.62 0.00 0.00 177.26 175.42 2q7i h ASN 692 N 0.00 0.00 -3.95 6.41 2.35 -2.01 -3.45 115.58 114.92 2q7i h ASN 692 Ca 0.00 0.00 -0.50 0.00 -0.55 0.00 0.00 56.30 55.25 2q7i h ASN 692 Cb 0.20 0.00 0.04 0.00 0.05 0.00 0.00 38.32 38.61 2q7i h ASN 692 CO 0.00 0.53 0.46 0.00 -1.65 0.00 0.00 177.43 176.77 2q7i s GLN 693 N -2.95 4.09 0.65 0.81 -2.07 -1.11 -4.99 119.66 114.09 2q7i s GLN 693 Ca 0.03 1.70 -0.18 0.00 -1.82 0.00 0.00 55.36 55.08 2q7i s GLN 693 Cb 0.08 -2.61 -0.01 0.00 -1.09 0.00 0.00 33.01 29.38 2q7i s GLN 693 CO 0.76 -0.25 1.27 -1.25 -1.32 0.00 0.00 175.29 174.50 2q7i s PRO 694 N -2.39 2.58 0.28 9.60 0.04 -1.26 -4.92 135.00 138.93 2q7i s PRO 694 Ca 0.58 1.99 -0.30 0.00 0.04 0.00 0.00 61.00 63.31 2q7i s PRO 694 Cb -0.27 -1.86 -0.10 0.00 0.04 0.00 0.00 34.50 32.31 2q7i s PRO 694 CO 0.34 -1.56 1.46 -0.51 0.04 0.00 0.00 177.00 176.77 2q7i s ASP 695 N -1.49 6.59 0.02 6.66 1.01 -1.26 -4.97 116.67 123.22 2q7i s ASP 695 Ca 0.81 2.76 -0.11 0.00 0.71 0.00 0.00 52.55 56.71 2q7i s ASP 695 Cb -0.35 -2.63 0.01 0.00 1.01 0.00 0.00 42.92 40.96 2q7i s ASP 695 CO 0.39 -0.74 0.24 -0.94 0.21 0.00 0.00 175.17 174.33 2q7i s SER 696 N 0.26 -0.05 0.16 0.27 1.04 -1.26 -5.05 113.70 109.07 2q7i s SER 696 Ca 0.58 -0.21 -0.18 0.00 0.48 0.00 0.00 55.95 56.63 2q7i s SER 696 Cb -0.43 0.30 0.07 0.00 0.10 0.00 0.00 66.02 66.06 2q7i s SER 696 CO 0.47 -0.52 1.66 0.15 0.98 0.00 0.00 173.24 175.98 2q7i h PHE 697 N 3.61 -0.27 -0.55 5.02 3.57 -1.95 -0.65 116.94 125.72 2q7i h PHE 697 Ca -0.31 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.23 2q7i h PHE 697 Cb 1.19 0.18 -0.03 0.00 2.79 0.00 0.00 35.95 40.08 2q7i h PHE 697 CO 0.51 -0.19 0.36 0.00 -2.23 0.00 0.00 178.31 176.76 2q7i h ALA 698 N 1.28 0.70 -0.26 2.41 0.00 -1.87 -1.21 119.26 120.31 2q7i h ALA 698 Ca 0.17 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.92 2q7i h ALA 698 Cb 0.31 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 2q7i h ALA 698 CO -0.39 0.15 -0.32 0.00 0.00 0.00 0.00 179.25 178.68 2q7i h ALA 699 N 1.19 0.39 -0.38 0.00 0.00 -1.81 -1.36 119.26 117.29 2q7i h ALA 699 Ca 0.20 -0.42 -0.06 0.00 0.00 0.00 0.00 54.91 54.64 2q7i h ALA 699 Cb -0.07 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2q7i h ALA 699 CO -0.04 0.43 0.01 -0.07 0.00 0.00 0.00 179.25 179.58 2q7i h LEU 700 N 0.40 0.64 -0.32 0.00 3.38 -1.00 -2.07 115.31 116.33 2q7i h LEU 700 Ca 0.03 -0.30 -0.20 0.00 0.09 0.00 0.00 57.88 57.50 2q7i h LEU 700 Cb 0.90 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.48 2q7i h LEU 700 CO 0.08 0.79 -0.75 -0.07 0.09 0.00 0.00 178.44 178.57 2q7i h LEU 701 N 0.48 0.64 -1.02 1.67 -0.00 -1.26 -0.83 115.31 114.99 2q7i h LEU 701 Ca 0.11 -0.42 -0.01 0.00 -0.00 0.00 0.00 57.88 57.56 2q7i h LEU 701 Cb 0.45 -0.19 -0.04 0.00 -0.00 0.00 0.00 40.66 40.88 2q7i h LEU 701 CO 0.02 1.18 0.53 0.28 -0.00 0.00 0.00 178.44 180.45 2q7i h SER 702 N 0.36 1.07 -0.33 -0.43 0.02 -1.22 -0.87 113.55 112.16 2q7i h SER 702 Ca -0.04 -0.07 -0.17 0.00 -0.84 0.00 0.00 61.79 60.67 2q7i h SER 702 Cb 1.34 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 63.61 2q7i h SER 702 CO 0.14 0.82 -0.46 0.28 -1.14 0.00 0.00 176.83 176.47 2q7i h SER 703 N 1.23 0.98 -0.89 3.07 0.02 -1.19 -1.59 113.55 115.18 2q7i h SER 703 Ca 0.32 -0.48 -0.00 0.00 -0.84 0.00 0.00 61.79 60.78 2q7i h SER 703 Cb -0.05 -0.28 -0.04 0.00 0.14 0.00 0.00 62.40 62.17 2q7i h SER 703 CO -0.06 1.28 0.54 -0.07 -1.14 0.00 0.00 176.83 177.38 2q7i h LEU 704 N 0.72 1.07 -0.46 5.07 3.38 -0.90 -0.56 115.31 123.62 2q7i h LEU 704 Ca 0.04 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 2q7i h LEU 704 Cb 1.06 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.52 2q7i h LEU 704 CO 0.11 0.82 0.15 0.78 0.09 0.00 0.00 178.44 180.39 2q7i h ASN 705 N 1.22 0.67 -0.70 -0.43 2.35 -0.98 -0.37 115.58 117.34 2q7i h ASN 705 Ca 0.32 -0.20 -0.06 0.00 -0.55 0.00 0.00 56.30 55.81 2q7i h ASN 705 Cb -0.05 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.11 2q7i h ASN 705 CO -0.06 0.69 0.22 -0.08 -1.65 0.00 0.00 177.43 176.55 2q7i h GLU 706 N 0.61 1.10 -0.59 0.81 4.57 -1.08 -1.58 114.58 118.43 2q7i h GLU 706 Ca 0.15 -0.23 -0.00 0.00 -1.18 0.00 0.00 59.36 58.09 2q7i h GLU 706 Cb 0.26 -0.16 -0.03 0.00 -0.16 0.00 0.00 28.75 28.66 2q7i h GLU 706 CO -0.01 0.94 0.35 1.25 -1.18 0.00 0.00 179.01 180.37 2q7i h LEU 707 N 1.06 0.72 -0.52 1.64 5.85 -0.82 -1.02 115.31 122.21 2q7i h LEU 707 Ca 0.23 -0.06 0.04 0.00 0.84 0.00 0.00 57.88 58.93 2q7i h LEU 707 Cb 0.30 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.11 2q7i h LEU 707 CO -0.01 0.57 0.27 1.23 -0.34 0.00 0.00 178.44 180.16 2q7i h GLY 708 N 0.80 0.72 0.92 3.75 0.00 -0.78 0.11 103.07 108.59 2q7i h GLY 708 Ca 0.21 -0.19 0.02 0.00 0.00 0.00 0.00 47.33 47.37 2q7i h GLY 708 CO -0.04 0.13 0.51 -2.09 0.00 0.00 0.00 176.54 175.05 2q7i h GLU 709 N 0.53 0.97 -0.20 4.80 4.57 -0.81 -0.13 114.58 124.31 2q7i h GLU 709 Ca 0.22 -0.06 -0.08 0.00 -1.18 0.00 0.00 59.36 58.27 2q7i h GLU 709 Cb 0.11 -0.22 -0.00 0.00 -0.16 0.00 0.00 28.75 28.48 2q7i h GLU 709 CO -0.14 0.64 -0.18 0.00 -1.18 0.00 0.00 179.01 178.16 2q7i h ARG 710 N 1.00 0.48 -0.22 1.92 3.08 -0.83 -3.12 114.38 116.68 2q7i h ARG 710 Ca 0.30 -0.24 -0.06 0.00 0.07 0.00 0.00 59.98 60.05 2q7i h ARG 710 Cb -0.03 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 2q7i h ARG 710 CO -0.10 0.81 -0.14 1.96 -1.07 0.00 0.00 179.97 181.43 2q7i h GLN 711 N 0.16 0.37 -0.96 0.04 4.20 -0.68 -2.64 115.11 115.60 2q7i h GLN 711 Ca 0.04 -0.10 0.04 0.00 0.06 0.00 0.00 58.65 58.69 2q7i h GLN 711 Cb 0.71 -0.04 -0.06 0.00 0.30 0.00 0.00 27.48 28.39 2q7i h GLN 711 CO 0.04 0.51 0.63 1.25 -0.67 0.00 0.00 178.83 180.60 2q7i h LEU 712 N 0.35 1.04 -0.45 1.46 5.85 -0.96 0.51 115.31 123.11 2q7i h LEU 712 Ca 0.07 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.80 2q7i h LEU 712 Cb 0.46 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.22 2q7i h LEU 712 CO 0.03 0.71 0.26 0.58 -0.34 0.00 0.00 178.44 179.68 2q7i h VAL 713 N 1.20 1.04 -0.47 1.05 2.07 -1.47 -0.87 116.25 118.81 2q7i h VAL 713 Ca 0.39 -0.18 -0.09 0.00 0.82 0.00 0.00 66.70 67.64 2q7i h VAL 713 Cb 0.03 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 30.25 2q7i h VAL 713 CO -0.12 0.10 -0.06 0.45 0.02 0.00 0.00 177.57 177.95 2q7i h HIS 714 N 0.53 0.90 -0.51 1.57 3.86 -1.31 -2.27 115.15 117.92 2q7i h HIS 714 Ca 0.18 -0.15 -0.08 0.00 -1.16 0.00 0.00 60.37 59.15 2q7i h HIS 714 Cb 0.01 -0.24 -0.02 0.00 1.06 0.00 0.00 27.41 28.23 2q7i h HIS 714 CO -0.07 0.86 -0.02 0.28 0.86 0.00 0.00 177.93 179.84 2q7i h VAL 715 N 0.76 1.25 -0.12 2.45 2.07 -0.52 -0.58 116.25 121.56 2q7i h VAL 715 Ca 0.13 -1.08 -0.02 0.00 0.82 0.00 0.00 66.70 66.55 2q7i h VAL 715 Cb 0.55 0.89 -0.00 0.00 -1.52 0.00 0.00 31.29 31.20 2q7i h VAL 715 CO 0.03 0.38 0.00 0.58 0.02 0.00 0.00 177.57 178.59 2q7i h VAL 716 N 0.80 1.25 -0.72 2.57 2.07 -1.01 0.38 116.25 121.59 2q7i h VAL 716 Ca 0.15 -0.79 -0.02 0.00 0.82 0.00 0.00 66.70 66.86 2q7i h VAL 716 Cb 0.51 1.54 -0.03 0.00 -1.52 0.00 0.00 31.29 31.79 2q7i h VAL 716 CO 0.03 0.23 0.38 0.11 0.02 0.00 0.00 177.57 178.33 2q7i h LYS 717 N -0.06 1.01 0.24 1.57 1.57 -1.24 -1.75 116.57 117.91 2q7i h LYS 717 Ca 0.03 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.68 2q7i h LYS 717 Cb 0.35 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.46 2q7i h LYS 717 CO 0.01 0.77 -0.11 2.35 -0.57 0.00 0.00 179.45 181.89 2q7i h TRP 718 N 0.99 -0.30 -0.67 -1.35 7.01 -1.06 -3.10 115.95 117.49 2q7i h TRP 718 Ca 0.25 -0.01 0.03 0.00 2.11 0.00 0.00 58.89 61.28 2q7i h TRP 718 Cb 0.06 0.10 -0.04 0.00 -2.10 0.00 0.00 29.16 27.17 2q7i h TRP 718 CO 0.00 -0.08 0.41 0.00 -2.79 0.00 0.00 178.44 175.98 2q7i h ALA 719 N 0.27 0.87 0.00 2.65 0.00 -0.74 -1.72 119.26 120.60 2q7i h ALA 719 Ca -0.03 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2q7i h ALA 719 Cb 0.35 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 2q7i h ALA 719 CO 0.05 0.15 -0.03 0.87 0.00 0.00 0.00 179.25 180.30 2q7i h LYS 720 N 0.79 0.00 -0.14 0.00 1.57 -1.36 -1.81 116.57 115.63 2q7i h LYS 720 Ca 0.27 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.05 2q7i h LYS 720 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.36 2q7i h LYS 720 CO -0.12 0.03 0.00 0.00 -0.57 0.00 0.00 179.45 178.79 2q7i n ALA 721 N -2.13 2.51 -1.77 3.86 0.00 -0.66 -4.76 120.51 117.55 2q7i n ALA 721 Ca -0.01 -0.62 -0.38 0.00 0.00 0.00 0.00 53.44 52.43 2q7i n ALA 721 Cb 0.21 -1.02 -0.03 0.00 0.00 0.00 0.00 19.45 18.62 2q7i n ALA 721 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2q7i s LEU 722 N -1.76 4.23 0.00 0.00 1.43 -0.68 -4.94 118.68 116.96 2q7i s LEU 722 Ca 0.34 2.29 -0.36 0.00 -1.03 0.00 0.00 54.13 55.37 2q7i s LEU 722 Cb 0.20 -3.99 -0.14 0.00 0.03 0.00 0.00 46.19 42.28 2q7i s LEU 722 CO 0.30 -0.57 1.62 -2.65 0.23 0.00 0.00 176.35 175.28 2q7i n PRO 723 N 0.20 1.71 -0.30 1.29 -0.02 -1.26 -2.12 135.00 134.51 2q7i n PRO 723 Ca 0.04 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 2q7i n PRO 723 Cb 0.47 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 2q7i n PRO 723 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2q7i n GLY 724 N 3.56 2.38 0.33 -1.23 0.00 -1.26 -4.90 105.19 104.07 2q7i n GLY 724 Ca 0.20 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.29 2q7i n GLY 724 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2q7i h PHE 725 N 0.00 0.58 0.00 1.61 3.57 -1.74 0.96 116.94 121.92 2q7i h PHE 725 Ca 0.00 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.51 2q7i h PHE 725 Cb 0.00 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 38.55 2q7i h PHE 725 CO 0.00 0.33 0.00 0.54 -2.23 0.00 0.00 178.31 176.95 2q7i n ARG 726 N -4.47 0.02 0.24 1.11 1.74 -1.26 -2.18 116.66 111.86 2q7i n ARG 726 Ca 0.07 0.16 0.07 0.00 -0.77 0.00 0.00 57.85 57.37 2q7i n ARG 726 Cb 0.18 -1.50 0.57 0.00 -1.02 0.00 0.00 32.46 30.69 2q7i n ARG 726 CO 0.00 0.00 0.00 -0.91 -1.52 0.00 0.00 177.63 175.20 2q7i h ASN 727 N 0.00 0.00 -4.03 0.55 -0.26 -1.21 -3.44 115.58 107.19 2q7i h ASN 727 Ca 0.00 0.00 -0.49 0.00 -0.56 0.00 0.00 56.30 55.25 2q7i h ASN 727 Cb 0.33 0.00 0.05 0.00 -1.06 0.00 0.00 38.32 37.63 2q7i h ASN 727 CO 0.00 0.12 0.43 -0.76 -1.06 0.00 0.00 177.43 176.16 2q7i s LEU 728 N -8.69 3.93 0.32 1.61 1.43 -0.92 -4.94 118.68 111.41 2q7i s LEU 728 Ca -0.04 2.12 -0.29 0.00 -1.03 0.00 0.00 54.13 54.89 2q7i s LEU 728 Cb 0.16 -4.39 -0.12 0.00 0.03 0.00 0.00 46.19 41.86 2q7i s LEU 728 CO 0.68 -0.86 1.37 1.57 0.23 0.00 0.00 176.35 179.34 2q7i n HIS 729 N -0.72 2.39 -0.26 0.29 -0.00 -1.26 -4.76 115.22 110.90 2q7i n HIS 729 Ca 0.08 0.48 0.10 0.00 -0.00 0.00 0.00 57.72 58.39 2q7i n HIS 729 Cb 0.50 -2.46 0.36 0.00 -0.00 0.00 0.00 29.99 28.39 2q7i n HIS 729 CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 176.34 176.10 2q7i h VAL 730 N 2.78 0.89 -0.72 3.57 3.04 -1.94 -0.34 116.25 123.54 2q7i h VAL 730 Ca -0.46 -0.26 -0.02 0.00 -1.01 0.00 0.00 66.70 64.95 2q7i h VAL 730 Cb 1.27 0.08 -0.03 0.00 -2.01 0.00 0.00 31.29 30.60 2q7i h VAL 730 CO 0.67 0.14 0.36 0.44 -1.01 0.00 0.00 177.57 178.17 2q7i h ASP 731 N 0.74 0.91 -0.10 3.17 3.32 -2.00 -1.98 116.42 120.48 2q7i h ASP 731 Ca 0.42 -0.09 -0.19 0.00 0.02 0.00 0.00 57.03 57.19 2q7i h ASP 731 Cb 0.58 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.90 2q7i h ASP 731 CO -0.18 0.76 -0.63 0.44 -1.72 0.00 0.00 179.24 177.90 2q7i h ASP 732 N 1.01 0.82 -0.49 6.45 3.32 -1.49 -1.04 116.42 125.00 2q7i h ASP 732 Ca 0.25 -0.48 0.10 0.00 0.02 0.00 0.00 57.03 56.92 2q7i h ASP 732 Cb 0.08 -0.24 -0.09 0.00 0.22 0.00 0.00 39.33 39.30 2q7i h ASP 732 CO -0.04 1.25 -0.08 1.56 -1.72 0.00 0.00 179.24 180.21 2q7i h GLN 733 N 0.53 0.03 -0.41 3.56 4.20 -0.90 -0.32 115.11 121.79 2q7i h GLN 733 Ca -0.01 -0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.57 2q7i h GLN 733 Cb 1.23 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.99 2q7i h GLN 733 CO 0.13 0.02 -0.23 0.52 -0.67 0.00 0.00 178.83 178.60 2q7i h MET 734 N 0.03 0.89 -0.07 1.46 2.86 -1.23 -3.21 114.93 115.66 2q7i h MET 734 Ca 0.24 -0.40 -0.00 0.00 -2.06 0.00 0.00 59.70 57.47 2q7i h MET 734 Cb 0.36 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 32.00 2q7i h MET 734 CO -0.47 1.05 0.04 0.00 1.06 0.00 0.00 176.91 178.59 2q7i h ALA 735 N 0.82 0.09 -0.39 6.32 0.00 -0.89 -2.10 119.26 123.11 2q7i h ALA 735 Ca 0.09 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 2q7i h ALA 735 Cb 0.80 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 2q7i h ALA 735 CO 0.07 -0.38 0.11 -0.39 0.00 0.00 0.00 179.25 178.67 2q7i h VAL 736 N 0.03 1.17 -0.24 0.00 -1.51 -1.12 -0.42 116.25 114.16 2q7i h VAL 736 Ca 0.02 -0.58 -0.05 0.00 -1.23 0.00 0.00 66.70 64.86 2q7i h VAL 736 Cb 0.07 0.75 -0.01 0.00 -2.13 0.00 0.00 31.29 29.98 2q7i h VAL 736 CO -0.00 0.21 -0.05 0.40 -1.23 0.00 0.00 177.57 176.90 2q7i h ILE 737 N 0.56 1.28 0.00 7.19 2.04 -1.54 -1.25 117.51 125.78 2q7i h ILE 737 Ca 0.13 -1.03 -0.04 0.00 1.00 0.00 0.00 64.86 64.93 2q7i h ILE 737 Cb 0.18 1.46 -0.01 0.00 -0.74 0.00 0.00 36.82 37.72 2q7i h ILE 737 CO -0.01 0.32 -0.18 1.56 0.00 0.00 0.00 178.15 179.84 2q7i h GLN 738 N 0.20 0.00 0.04 2.37 4.20 -0.62 -2.50 115.11 118.81 2q7i h GLN 738 Ca 0.06 0.00 -0.29 0.00 0.06 0.00 0.00 58.65 58.48 2q7i h GLN 738 Cb 0.50 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.24 2q7i h GLN 738 CO 0.02 0.18 -1.61 1.88 -0.67 0.00 0.00 178.83 178.63 2q7i h TYR 739 N 0.00 0.17 -0.01 2.96 0.05 -1.02 -3.41 116.97 115.70 2q7i h TYR 739 Ca -0.00 -0.12 0.00 0.00 0.05 0.00 0.00 58.73 58.66 2q7i h TYR 739 Cb 0.49 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 38.22 2q7i h TYR 739 CO 0.00 1.19 -0.46 0.43 -1.05 0.00 0.00 178.16 178.28 2q7i n SER 740 N -3.24 1.86 -0.35 3.88 7.64 -0.48 -4.57 113.62 118.36 2q7i n SER 740 Ca -0.16 -1.43 0.03 0.00 1.01 0.00 0.00 58.87 58.32 2q7i n SER 740 Cb 1.03 0.50 0.18 0.00 -1.01 0.00 0.00 64.21 64.92 2q7i n SER 740 CO 0.00 0.00 0.00 4.11 -3.01 0.00 0.00 175.04 176.14 2q7i h TRP 741 N 2.14 1.12 -0.03 1.43 5.08 -1.68 -1.31 115.95 122.70 2q7i h TRP 741 Ca 0.00 0.03 0.00 0.00 1.08 0.00 0.00 58.89 60.00 2q7i h TRP 741 Cb 0.68 -0.36 -0.00 0.00 -3.00 0.00 0.00 29.16 26.47 2q7i h TRP 741 CO 0.00 0.54 0.01 1.98 -1.28 0.00 0.00 178.44 179.69 2q7i h MET 742 N 1.07 0.02 -0.50 0.12 4.05 -1.89 0.00 114.93 117.81 2q7i h MET 742 Ca 0.43 -0.00 -0.04 0.00 -0.28 0.00 0.00 59.70 59.81 2q7i h MET 742 Cb 0.25 -0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.03 2q7i h MET 742 CO -0.20 0.01 0.14 0.78 0.23 0.00 0.00 176.91 177.87 2q7i h GLY 743 N 0.02 0.84 0.56 1.39 0.00 -1.79 -0.75 103.07 103.35 2q7i h GLY 743 Ca 0.01 -0.51 0.05 0.00 0.00 0.00 0.00 47.33 46.88 2q7i h GLY 743 CO -0.02 0.48 -0.01 1.41 0.00 0.00 0.00 176.54 178.40 2q7i h LEU 744 N 0.67 -0.14 -0.37 3.11 3.38 -1.06 -1.24 115.31 119.67 2q7i h LEU 744 Ca 0.16 0.06 -0.17 0.00 0.09 0.00 0.00 57.88 58.02 2q7i h LEU 744 Cb 0.30 0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 2q7i h LEU 744 CO -0.00 -0.04 -0.51 0.24 0.09 0.00 0.00 178.44 178.23 2q7i h MET 745 N 0.06 0.83 -0.46 1.13 2.86 -0.82 -1.53 114.93 117.00 2q7i h MET 745 Ca 0.13 -0.50 -0.02 0.00 -2.06 0.00 0.00 59.70 57.24 2q7i h MET 745 Cb 0.17 0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.86 2q7i h MET 745 CO -0.23 1.13 0.20 0.28 1.06 0.00 0.00 176.91 179.36 2q7i h VAL 746 N 0.65 1.20 -0.32 -2.22 2.07 -1.06 -0.65 116.25 115.92 2q7i h VAL 746 Ca 0.02 -0.60 -0.02 0.00 0.82 0.00 0.00 66.70 66.93 2q7i h VAL 746 Cb 1.10 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 31.59 2q7i h VAL 746 CO 0.11 0.22 0.13 0.15 0.02 0.00 0.00 177.57 178.21 2q7i h PHE 747 N 0.60 0.48 -0.80 1.57 3.57 -1.10 0.67 116.94 121.94 2q7i h PHE 747 Ca 0.16 -0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.58 2q7i h PHE 747 Cb 0.17 -0.14 -0.04 0.00 2.79 0.00 0.00 35.95 38.73 2q7i h PHE 747 CO -0.00 0.46 0.34 0.00 -2.23 0.00 0.00 178.31 176.87 2q7i h ALA 748 N 0.97 1.03 -0.46 2.41 0.00 -1.25 -1.85 119.26 120.11 2q7i h ALA 748 Ca 0.11 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 2q7i h ALA 748 Cb 0.18 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 2q7i h ALA 748 CO -0.01 0.64 0.19 1.98 0.00 0.00 0.00 179.25 182.05 2q7i h MET 749 N 1.15 0.69 -0.96 0.00 1.85 -0.76 -0.41 114.93 116.49 2q7i h MET 749 Ca 0.27 -0.13 0.06 0.00 -0.61 0.00 0.00 59.70 59.29 2q7i h MET 749 Cb 0.19 -0.11 -0.06 0.00 0.43 0.00 0.00 31.60 32.04 2q7i h MET 749 CO -0.03 0.63 0.62 0.78 -0.40 0.00 0.00 176.91 178.52 2q7i h GLY 750 N 0.61 1.43 0.79 1.39 0.00 -0.65 0.95 103.07 107.58 2q7i h GLY 750 Ca 0.15 -0.45 -0.00 0.00 0.00 0.00 0.00 47.33 47.03 2q7i h GLY 750 CO -0.01 0.34 -0.01 -0.25 0.00 0.00 0.00 176.54 176.60 2q7i h TRP 751 N 1.13 -0.04 -0.89 5.60 2.91 -0.85 -1.42 115.95 122.40 2q7i h TRP 751 Ca 0.41 -0.00 0.07 0.00 1.13 0.00 0.00 58.89 60.50 2q7i h TRP 751 Cb 0.15 0.01 -0.07 0.00 -0.51 0.00 0.00 29.16 28.74 2q7i h TRP 751 CO -0.00 0.18 0.55 0.00 -1.03 0.00 0.00 178.44 178.14 2q7i h ARG 752 N -0.25 0.95 -0.83 2.65 3.08 -0.63 0.44 114.38 119.78 2q7i h ARG 752 Ca -0.00 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 59.95 2q7i h ARG 752 Cb 0.24 -0.21 -0.04 0.00 0.08 0.00 0.00 29.97 30.03 2q7i h ARG 752 CO 0.01 0.63 0.38 0.77 -1.07 0.00 0.00 179.97 180.69 2q7i h SER 753 N 0.98 1.09 -0.19 7.04 0.02 -0.69 -0.39 113.55 121.42 2q7i h SER 753 Ca 0.40 -0.14 -0.06 0.00 -0.84 0.00 0.00 61.79 61.15 2q7i h SER 753 Cb 0.23 -0.28 -0.00 0.00 0.14 0.00 0.00 62.40 62.49 2q7i h SER 753 CO -0.19 0.93 -0.12 0.15 -1.14 0.00 0.00 176.83 176.46 2q7i h PHE 754 N 1.18 0.47 0.00 3.45 3.57 -0.19 0.11 116.94 125.54 2q7i h PHE 754 Ca 0.28 -0.13 -0.10 0.00 3.53 0.00 0.00 57.97 61.56 2q7i h PHE 754 Cb 0.14 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.76 2q7i h PHE 754 CO 0.02 0.73 -0.48 1.79 -2.23 0.00 0.00 178.31 178.14 2q7i h THR 755 N 0.08 0.88 0.00 4.41 1.35 -0.85 -2.91 112.91 115.87 2q7i h THR 755 Ca 0.04 -2.04 -0.39 0.00 -0.55 0.00 0.00 66.41 63.47 2q7i h THR 755 Cb 0.62 2.28 -0.07 0.00 -1.73 0.00 0.00 68.15 69.25 2q7i h THR 755 CO 0.03 0.47 -2.48 0.59 -0.25 0.00 0.00 175.52 173.88 2q7i n ASN 756 N -3.31 1.91 -0.59 5.36 5.03 -0.17 -4.69 115.26 118.80 2q7i n ASN 756 Ca 0.01 -0.13 0.05 0.00 0.87 0.00 0.00 54.58 55.37 2q7i n ASN 756 Cb 0.67 -0.36 0.08 0.00 -1.02 0.00 0.00 39.78 39.15 2q7i n ASN 756 CO 0.00 0.00 0.00 1.33 -1.83 0.00 0.00 177.26 176.76 2q7i n VAL 757 N -3.24 0.88 -4.19 2.41 0.24 -0.89 -5.00 118.33 108.54 2q7i n VAL 757 Ca -0.45 -1.34 -0.35 0.00 -2.04 0.00 0.00 64.34 60.15 2q7i n VAL 757 Cb 1.00 0.28 -0.02 0.00 -1.47 0.00 0.00 33.84 33.62 2q7i n VAL 757 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 2q7i n ASN 758 N -0.48 -3.01 -0.34 -1.34 0.23 -1.04 -0.56 115.26 108.72 2q7i n ASN 758 Ca 0.09 -1.00 -0.04 0.00 -0.53 0.00 0.00 54.58 53.09 2q7i n ASN 758 Cb 0.77 -2.82 -0.02 0.00 -2.08 0.00 0.00 39.78 35.63 2q7i n ASN 758 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 2q7i n SER 759 N -2.70 -5.39 0.20 0.53 7.64 -0.02 -4.84 113.62 109.04 2q7i n SER 759 Ca 0.03 0.11 0.08 0.00 1.01 0.00 0.00 58.87 60.10 2q7i n SER 759 Cb 0.52 -3.28 0.39 0.00 -1.01 0.00 0.00 64.21 60.83 2q7i n SER 759 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 2q7i h ARG 760 N 0.13 0.00 -4.06 1.43 2.47 -1.06 -3.45 114.38 109.83 2q7i h ARG 760 Ca -0.09 0.00 -0.13 0.00 -1.26 0.00 0.00 59.98 58.50 2q7i h ARG 760 Cb 0.91 0.00 -0.13 0.00 -1.65 0.00 0.00 29.97 29.09 2q7i h ARG 760 CO 0.13 0.30 -0.42 -1.64 0.56 0.00 0.00 179.97 178.90 2q7i s MET 761 N -3.63 1.08 -0.45 0.04 -1.94 -1.26 -4.92 119.30 108.23 2q7i s MET 761 Ca 0.00 -1.26 -0.20 0.00 -1.71 0.00 0.00 55.69 52.52 2q7i s MET 761 Cb 0.11 0.33 0.03 0.00 2.01 0.00 0.00 34.83 37.31 2q7i s MET 761 CO 0.66 -0.37 0.63 -0.51 -0.01 0.00 0.00 175.02 175.42 2q7i s LEU 762 N -2.99 4.59 -1.27 -0.03 1.43 -0.79 -4.76 118.68 114.85 2q7i s LEU 762 Ca 0.19 -0.45 -0.12 0.00 -1.03 0.00 0.00 54.13 52.72 2q7i s LEU 762 Cb 0.05 -2.66 0.15 0.00 0.03 0.00 0.00 46.19 43.75 2q7i s LEU 762 CO 0.01 -0.79 1.71 0.00 0.23 0.00 0.00 176.35 177.50 2q7i n TYR 763 N 6.23 4.02 -0.15 0.29 4.19 -1.26 -0.65 117.16 129.83 2q7i n TYR 763 Ca -0.03 -3.05 -0.09 0.00 3.31 0.00 0.00 57.90 58.04 2q7i n TYR 763 Cb 0.47 -2.17 -0.00 0.00 0.49 0.00 0.00 39.34 38.13 2q7i n TYR 763 CO 0.00 0.00 0.00 0.74 0.91 0.00 0.00 176.86 178.51 2q7i h PHE 764 N 6.53 0.68 -3.21 2.98 0.04 -1.79 -3.41 116.94 118.77 2q7i h PHE 764 Ca 0.38 -0.06 0.00 0.00 2.80 0.00 0.00 57.97 61.09 2q7i h PHE 764 Cb 0.76 -0.20 -0.09 0.00 2.20 0.00 0.00 35.95 38.62 2q7i h PHE 764 CO 1.22 0.61 0.10 0.00 -0.60 0.00 0.00 178.31 179.64 2q7i s ALA 765 N -5.47 -1.04 0.48 2.45 0.00 -0.96 -4.97 121.76 112.24 2q7i s ALA 765 Ca -0.13 -0.21 0.14 0.00 0.00 0.00 0.00 51.96 51.76 2q7i s ALA 765 Cb 0.11 0.88 1.14 0.00 0.00 0.00 0.00 23.12 25.24 2q7i s ALA 765 CO 0.77 -0.87 2.09 -1.35 0.00 0.00 0.00 175.76 176.39 2q7i h PRO 766 N 2.12 0.20 -0.69 0.00 0.11 -1.89 -1.04 132.00 130.81 2q7i h PRO 766 Ca -0.26 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.83 2q7i h PRO 766 Cb 1.26 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2q7i h PRO 766 CO 0.33 0.13 0.00 -0.40 -0.21 0.00 0.00 178.00 177.85 2q7i n ASP 767 N -4.50 4.30 -3.03 -2.05 5.75 -1.26 -4.65 116.55 111.12 2q7i n ASP 767 Ca 0.02 -2.23 -0.15 0.00 -0.01 0.00 0.00 54.79 52.42 2q7i n ASP 767 Cb 0.17 -0.53 -0.03 0.00 -1.03 0.00 0.00 41.12 39.70 2q7i n ASP 767 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 2q7i n LEU 768 N 1.35 -1.94 -4.48 -2.12 7.94 -0.39 -4.51 117.00 112.84 2q7i n LEU 768 Ca 0.25 -3.68 -0.35 0.00 -1.11 0.00 0.00 56.01 51.11 2q7i n LEU 768 Cb 0.75 0.68 -0.12 0.00 0.53 0.00 0.00 43.42 45.27 2q7i n LEU 768 CO 0.20 1.94 -0.31 -0.69 -1.11 0.00 0.00 177.39 177.42 2q7i s VAL 769 N 0.33 4.17 -0.28 1.96 1.01 -1.24 -2.26 120.40 124.09 2q7i s VAL 769 Ca 0.32 -0.24 -0.18 0.00 0.00 0.00 0.00 61.98 61.89 2q7i s VAL 769 Cb 0.07 -2.90 -0.02 0.00 0.00 0.00 0.00 36.38 33.52 2q7i s VAL 769 CO -0.14 0.42 0.50 -0.36 0.00 0.00 0.00 175.10 175.52 2q7i s PHE 770 N 0.99 3.25 0.77 5.22 0.40 0.18 -4.94 117.98 123.85 2q7i s PHE 770 Ca 0.02 0.53 -0.02 0.00 -0.60 0.00 0.00 56.93 56.86 2q7i s PHE 770 Cb -0.14 -2.74 0.15 0.00 0.51 0.00 0.00 43.02 40.80 2q7i s PHE 770 CO 0.02 -0.32 1.06 0.54 0.70 0.00 0.00 175.22 177.22 2q7i s ASN 771 N 1.60 4.04 0.34 1.36 2.20 -1.26 -1.89 114.94 121.33 2q7i s ASN 771 Ca 0.20 -0.44 0.03 0.00 -0.94 0.00 0.00 52.86 51.72 2q7i s ASN 771 Cb -0.16 0.20 0.65 0.00 -2.00 0.00 0.00 41.25 39.94 2q7i s ASN 771 CO 0.10 -2.08 1.96 -0.33 -2.94 0.00 0.00 177.10 173.80 2q7i h GLU 772 N -0.72 0.84 -0.49 3.55 4.39 -1.97 -1.38 114.58 118.80 2q7i h GLU 772 Ca -0.35 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.28 2q7i h GLU 772 Cb 1.26 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 29.69 2q7i h GLU 772 CO 0.36 0.56 0.25 -0.92 -1.16 0.00 0.00 179.01 178.11 2q7i h TYR 773 N 0.87 0.68 -0.49 4.33 3.20 -1.99 -1.35 116.97 122.21 2q7i h TYR 773 Ca 0.32 -0.02 -0.12 0.00 3.14 0.00 0.00 58.73 62.04 2q7i h TYR 773 Cb 0.16 -0.22 -0.02 0.00 1.54 0.00 0.00 36.73 38.20 2q7i h TYR 773 CO -0.00 0.52 -0.17 0.00 -1.64 0.00 0.00 178.16 176.88 2q7i h ARG 774 N 0.64 0.97 -0.70 1.82 3.08 -1.81 0.22 114.38 118.61 2q7i h ARG 774 Ca 0.17 -0.38 0.13 0.00 0.07 0.00 0.00 59.98 59.97 2q7i h ARG 774 Cb 0.08 -0.05 -0.09 0.00 0.08 0.00 0.00 29.97 29.99 2q7i h ARG 774 CO -0.02 1.05 0.24 0.52 -1.07 0.00 0.00 179.97 180.68 2q7i h MET 775 N 0.85 0.37 0.03 0.04 2.86 -1.02 0.44 114.93 118.50 2q7i h MET 775 Ca 0.12 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.74 2q7i h MET 775 Cb 0.73 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.30 2q7i h MET 775 CO 0.06 0.24 -0.02 1.25 1.06 0.00 0.00 176.91 179.51 2q7i h HIS 776 N 0.38 -0.04 0.00 -0.22 -0.00 -0.89 -2.97 115.15 111.41 2q7i h HIS 776 Ca 0.38 -0.00 -0.04 0.00 -0.00 0.00 0.00 60.37 60.71 2q7i h HIS 776 Cb 0.56 0.01 -0.01 0.00 -0.00 0.00 0.00 27.41 27.98 2q7i h HIS 776 CO -0.19 0.34 -0.19 0.87 -0.00 0.00 0.00 177.93 178.76 2q7i h LYS 777 N -0.43 0.00 0.00 5.26 1.79 -0.63 -1.35 116.57 121.20 2q7i h LYS 777 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2q7i h LYS 777 Cb 0.40 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.05 2q7i h LYS 777 CO 0.01 0.19 0.00 -1.13 -1.08 0.00 0.00 179.45 177.44 2q7i n SER 778 N -3.85 0.69 -1.17 0.86 3.41 0.12 -3.78 113.62 109.90 2q7i n SER 778 Ca -0.02 0.67 -0.14 0.00 -0.26 0.00 0.00 58.87 59.13 2q7i n SER 778 Cb 0.29 -0.82 -0.05 0.00 -0.26 0.00 0.00 64.21 63.37 2q7i n SER 778 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2q7i n ARG 779 N -2.26 -0.99 -0.83 4.33 1.74 -0.51 -4.89 116.66 113.25 2q7i n ARG 779 Ca 0.02 0.91 0.04 0.00 -0.77 0.00 0.00 57.85 58.06 2q7i n ARG 779 Cb 0.23 -5.03 0.17 0.00 -1.02 0.00 0.00 32.46 26.80 2q7i n ARG 779 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 2q7i n MET 780 N -2.54 1.40 -0.10 5.56 2.81 -1.22 -4.88 117.12 118.15 2q7i n MET 780 Ca -0.14 -3.12 -0.09 0.00 -1.81 0.00 0.00 57.70 52.54 2q7i n MET 780 Cb 0.49 -1.37 -0.01 0.00 -0.71 0.00 0.00 33.22 31.62 2q7i n MET 780 CO 0.00 0.00 0.00 -0.92 1.51 0.00 0.00 175.97 176.56 2q7i h TYR 781 N 1.06 0.45 -0.66 2.03 5.03 -1.82 0.16 116.97 123.22 2q7i h TYR 781 Ca -0.03 -0.00 0.03 0.00 2.58 0.00 0.00 58.73 61.31 2q7i h TYR 781 Cb 1.18 -0.15 -0.04 0.00 1.55 0.00 0.00 36.73 39.27 2q7i h TYR 781 CO 0.66 0.33 0.40 0.66 -1.32 0.00 0.00 178.16 178.89 2q7i h SER 782 N 0.44 0.65 -0.51 -2.11 4.64 -1.89 0.26 113.55 115.02 2q7i h SER 782 Ca 0.12 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.38 2q7i h SER 782 Cb 0.01 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 61.95 2q7i h SER 782 CO -0.02 0.45 0.05 1.56 -0.87 0.00 0.00 176.83 178.00 2q7i h GLN 783 N 0.79 0.87 -0.95 4.77 7.50 -1.74 -2.65 115.11 123.69 2q7i h GLN 783 Ca 0.27 -0.25 0.01 0.00 0.50 0.00 0.00 58.65 59.18 2q7i h GLN 783 Cb 0.04 -0.09 -0.05 0.00 0.05 0.00 0.00 27.48 27.42 2q7i h GLN 783 CO -0.11 0.87 0.63 0.00 -1.50 0.00 0.00 178.83 178.72 2q7i h VAL 785 N 1.27 0.67 -0.86 0.00 2.07 -0.72 0.15 116.25 118.82 2q7i h VAL 785 Ca 0.35 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.85 2q7i h VAL 785 Cb -0.12 0.67 -0.04 0.00 -1.52 0.00 0.00 31.29 30.27 2q7i h VAL 785 CO -0.08 0.00 0.46 0.03 0.02 0.00 0.00 177.57 177.99 2q7i h ARG 786 N -0.01 1.21 -0.45 1.57 3.08 -1.08 -0.21 114.38 118.50 2q7i h ARG 786 Ca 0.16 -0.15 -0.11 0.00 0.07 0.00 0.00 59.98 59.94 2q7i h ARG 786 Cb 0.24 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 30.05 2q7i h ARG 786 CO -0.34 0.90 -0.18 0.52 -1.07 0.00 0.00 179.97 179.81 2q7i h MET 787 N 1.21 0.87 -0.46 0.04 2.86 -0.76 -1.12 114.93 117.57 2q7i h MET 787 Ca 0.30 -0.33 -0.09 0.00 -2.06 0.00 0.00 59.70 57.52 2q7i h MET 787 Cb 0.06 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.65 2q7i h MET 787 CO -0.05 0.97 -0.08 -0.09 1.06 0.00 0.00 176.91 178.72 2q7i h ARG 788 N 0.76 0.81 -0.06 1.72 2.43 -0.37 -0.86 114.38 118.83 2q7i h ARG 788 Ca 0.11 -0.26 0.02 0.00 -0.81 0.00 0.00 59.98 59.04 2q7i h ARG 788 Cb 0.70 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.16 2q7i h ARG 788 CO 0.05 0.87 -0.05 1.25 -1.51 0.00 0.00 179.97 180.59 2q7i h HIS 789 N 0.74 -0.11 -0.49 2.20 2.76 -0.65 0.36 115.15 119.95 2q7i h HIS 789 Ca 0.13 0.01 0.09 0.00 -2.20 0.00 0.00 60.37 58.40 2q7i h HIS 789 Cb 0.57 0.06 -0.08 0.00 1.55 0.00 0.00 27.41 29.51 2q7i h HIS 789 CO 0.03 -0.08 0.05 1.25 -1.30 0.00 0.00 177.93 177.88 2q7i h LEU 790 N -0.06 -0.11 -0.42 0.26 5.85 -0.98 -0.04 115.31 119.81 2q7i h LEU 790 Ca 0.04 0.10 0.07 0.00 0.84 0.00 0.00 57.88 58.93 2q7i h LEU 790 Cb 0.11 0.17 -0.06 0.00 0.37 0.00 0.00 40.66 41.26 2q7i h LEU 790 CO -0.09 -0.02 0.09 -1.28 -0.34 0.00 0.00 178.44 176.79 2q7i h SER 791 N 0.17 0.02 -0.40 1.25 0.87 -0.75 -1.78 113.55 112.94 2q7i h SER 791 Ca 0.25 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.88 2q7i h SER 791 Cb 0.36 0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.39 2q7i h SER 791 CO -0.37 0.05 0.26 1.56 -0.53 0.00 0.00 176.83 177.80 2q7i h GLN 792 N 0.22 0.52 -0.46 2.24 4.20 0.17 -2.15 115.11 119.85 2q7i h GLN 792 Ca 0.20 -0.03 0.01 0.00 0.06 0.00 0.00 58.65 58.89 2q7i h GLN 792 Cb 0.25 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.89 2q7i h GLN 792 CO -0.26 0.35 0.30 0.93 -0.67 0.00 0.00 178.83 179.48 2q7i h GLU 793 N 0.54 0.59 -0.35 1.46 4.39 -0.13 0.36 114.58 121.44 2q7i h GLU 793 Ca 0.15 -0.04 0.04 0.00 0.34 0.00 0.00 59.36 59.85 2q7i h GLU 793 Cb -0.06 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.44 2q7i h GLU 793 CO -0.03 0.39 0.23 0.74 -1.16 0.00 0.00 179.01 179.18 2q7i h PHE 794 N 0.61 0.31 0.01 4.33 0.04 -1.28 0.43 116.94 121.39 2q7i h PHE 794 Ca 0.17 0.01 -0.00 0.00 2.80 0.00 0.00 57.97 60.95 2q7i h PHE 794 Cb -0.05 -0.10 0.00 0.00 2.20 0.00 0.00 35.95 37.99 2q7i h PHE 794 CO -0.00 0.18 -0.01 0.78 -0.60 0.00 0.00 178.31 178.67 2q7i h GLY 795 N 0.32 -0.02 1.06 -1.45 0.00 -1.25 -1.40 103.07 100.34 2q7i h GLY 795 Ca 0.14 0.01 0.09 0.00 0.00 0.00 0.00 47.33 47.57 2q7i h GLY 795 CO -0.03 -0.01 0.41 1.49 0.00 0.00 0.00 176.54 178.40 2q7i h TRP 796 N -0.98 0.48 -0.02 5.60 6.55 -0.76 -0.87 115.95 125.96 2q7i h TRP 796 Ca -0.00 0.01 0.00 0.00 0.95 0.00 0.00 58.89 59.85 2q7i h TRP 796 Cb 0.69 -0.16 0.00 0.00 -0.86 0.00 0.00 29.16 28.84 2q7i h TRP 796 CO 0.19 0.23 -0.21 1.28 -1.05 0.00 0.00 178.44 178.88 2q7i n LEU 797 N -4.47 1.91 -3.86 -4.49 4.77 0.12 -4.98 117.00 106.00 2q7i n LEU 797 Ca 0.10 -0.64 -0.25 0.00 -0.03 0.00 0.00 56.01 55.18 2q7i n LEU 797 Cb 0.34 -0.03 0.01 0.00 -2.33 0.00 0.00 43.42 41.41 2q7i n LEU 797 CO 0.34 0.34 -0.11 0.00 -1.33 0.00 0.00 177.39 176.62 2q7i n GLN 798 N 0.19 -4.22 -1.88 3.23 6.02 -0.33 -4.89 117.38 115.50 2q7i n GLN 798 Ca 0.13 0.51 -0.42 0.00 -0.01 0.00 0.00 57.00 57.21 2q7i n GLN 798 Cb 0.45 -4.94 -0.03 0.00 1.02 0.00 0.00 30.24 26.74 2q7i n GLN 798 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2q7i s ILE 799 N -3.73 2.65 0.49 5.09 -1.09 -0.55 -5.00 121.20 119.06 2q7i s ILE 799 Ca 0.12 0.36 -0.12 0.00 -2.23 0.00 0.00 60.65 58.78 2q7i s ILE 799 Cb -0.06 -3.23 -0.06 0.00 -1.58 0.00 0.00 42.46 37.53 2q7i s ILE 799 CO 0.85 0.02 0.88 0.42 -1.23 0.00 0.00 174.94 175.88 2q7i s THR 800 N 1.73 4.71 0.29 2.92 -4.23 -1.26 -4.89 115.64 114.91 2q7i s THR 800 Ca 0.73 0.80 0.04 0.00 -1.18 0.00 0.00 61.69 62.08 2q7i s THR 800 Cb -0.44 -3.77 0.28 0.00 1.34 0.00 0.00 72.50 69.92 2q7i s THR 800 CO 0.32 -0.72 1.76 -0.65 -0.54 0.00 0.00 174.62 174.79 2q7i h PRO 801 N 0.76 0.67 -0.35 3.99 0.11 -1.99 0.79 132.00 135.98 2q7i h PRO 801 Ca -0.46 -0.04 -0.12 0.00 0.11 0.00 0.00 66.00 65.48 2q7i h PRO 801 Cb 1.19 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 2q7i h PRO 801 CO 0.62 0.44 -0.28 1.96 -0.21 0.00 0.00 178.00 180.53 2q7i h GLN 802 N 0.69 0.74 -0.29 1.05 7.50 -1.99 -1.31 115.11 121.49 2q7i h GLN 802 Ca 0.55 -0.32 -0.03 0.00 0.50 0.00 0.00 58.65 59.34 2q7i h GLN 802 Cb 0.86 -0.02 -0.01 0.00 0.05 0.00 0.00 27.48 28.36 2q7i h GLN 802 CO -0.39 0.93 0.05 0.93 -1.50 0.00 0.00 178.83 178.85 2q7i h GLU 803 N 0.63 0.48 -0.33 1.46 5.08 -1.73 -2.48 114.58 117.69 2q7i h GLU 803 Ca 0.08 -0.13 0.06 0.00 -1.00 0.00 0.00 59.36 58.37 2q7i h GLU 803 Cb 0.80 -0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.93 2q7i h GLU 803 CO 0.07 0.58 -0.05 0.35 -1.00 0.00 0.00 179.01 178.96 2q7i h PHE 804 N 0.30 -0.11 -0.54 4.33 3.57 -0.65 -0.18 116.94 123.66 2q7i h PHE 804 Ca 0.09 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.59 2q7i h PHE 804 Cb 0.33 0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.15 2q7i h PHE 804 CO 0.02 -0.11 0.23 -0.07 -2.23 0.00 0.00 178.31 176.16 2q7i h LEU 805 N 0.04 0.73 -0.52 0.59 3.38 -1.20 0.34 115.31 118.67 2q7i h LEU 805 Ca 0.16 -0.15 -0.14 0.00 0.09 0.00 0.00 57.88 57.84 2q7i h LEU 805 Cb 0.23 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 2q7i h LEU 805 CO -0.31 0.68 -0.27 0.00 0.09 0.00 0.00 178.44 178.63 2q7i h MET 807 N 0.78 0.58 -0.43 0.00 2.86 -0.81 -1.97 114.93 115.94 2q7i h MET 807 Ca 0.09 -0.12 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 2q7i h MET 807 Cb 0.84 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 32.39 2q7i h MET 807 CO 0.07 0.59 0.28 -0.22 1.06 0.00 0.00 176.91 178.69 2q7i h LYS 808 N 0.46 0.58 -0.69 1.72 3.64 -0.79 -1.78 116.57 119.70 2q7i h LYS 808 Ca 0.12 -0.04 0.06 0.00 -1.27 0.00 0.00 60.65 59.52 2q7i h LYS 808 Cb 0.25 -0.13 -0.06 0.00 -0.41 0.00 0.00 32.23 31.88 2q7i h LYS 808 CO -0.00 0.40 0.39 0.00 -2.27 0.00 0.00 179.45 177.97 2q7i h ALA 809 N 1.14 0.93 -0.34 5.00 0.00 -1.25 -2.12 119.26 122.62 2q7i h ALA 809 Ca 0.16 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 2q7i h ALA 809 Cb -0.04 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 2q7i h ALA 809 CO -0.03 0.06 0.21 1.25 0.00 0.00 0.00 179.25 180.74 2q7i h LEU 810 N 0.71 0.40 -2.19 0.00 6.46 -0.61 -1.64 115.31 118.45 2q7i h LEU 810 Ca 0.31 -0.01 -0.01 0.00 -0.12 0.00 0.00 57.88 58.05 2q7i h LEU 810 Cb 0.20 -0.10 -0.00 0.00 -0.73 0.00 0.00 40.66 40.03 2q7i h LEU 810 CO -0.19 0.31 -0.05 -0.07 -0.62 0.00 0.00 178.44 177.82 2q7i h LEU 811 N 0.47 0.00 -1.72 2.25 3.38 -0.64 -1.04 115.31 118.01 2q7i h LEU 811 Ca 0.13 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 2q7i h LEU 811 Cb -0.03 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 2q7i h LEU 811 CO -0.02 0.05 -0.16 0.25 0.09 0.00 0.00 178.44 178.64 2q7i h LEU 812 N 0.00 0.00 -3.75 1.67 5.85 -1.31 -3.06 115.31 114.71 2q7i h LEU 812 Ca -0.00 0.00 -0.50 0.00 0.84 0.00 0.00 57.88 58.22 2q7i h LEU 812 Cb 0.12 0.00 -0.30 0.00 0.37 0.00 0.00 40.66 40.85 2q7i h LEU 812 CO 0.01 0.16 0.01 0.49 -0.34 0.00 0.00 178.44 178.77 2q7i n PHE 813 N -4.20 2.52 -0.37 1.25 3.72 -0.40 -4.62 117.46 115.37 2q7i n PHE 813 Ca -0.02 -2.32 0.01 0.00 -0.05 0.00 0.00 57.45 55.06 2q7i n PHE 813 Cb 0.24 -0.79 0.02 0.00 -0.94 0.00 0.00 39.48 38.01 2q7i n PHE 813 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 2q7i n SER 814 N -0.91 1.62 -3.66 4.37 3.41 -1.16 -4.94 113.62 112.35 2q7i n SER 814 Ca 0.49 -1.94 -0.15 0.00 -0.26 0.00 0.00 58.87 57.00 2q7i n SER 814 Cb 0.93 -0.06 -0.14 0.00 -0.26 0.00 0.00 64.21 64.68 2q7i n SER 814 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2q7i s ILE 815 N -1.00 -0.35 0.11 -1.33 1.01 -1.26 0.14 121.20 118.52 2q7i s ILE 815 Ca 0.04 0.30 -0.03 0.00 0.00 0.00 0.00 60.65 60.96 2q7i s ILE 815 Cb 0.03 -0.39 -0.03 0.00 0.01 0.00 0.00 42.46 42.08 2q7i s ILE 815 CO 0.00 0.12 0.09 0.27 0.00 0.00 0.00 174.94 175.43 2q7i s ILE 816 N 2.37 0.13 0.35 2.92 -4.36 -0.78 -4.83 121.20 117.00 2q7i s ILE 816 Ca 0.02 -1.69 -0.28 0.00 -0.26 0.00 0.00 60.65 58.44 2q7i s ILE 816 Cb -0.12 -1.78 -0.10 0.00 1.25 0.00 0.00 42.46 41.71 2q7i s ILE 816 CO -0.07 -0.60 1.32 -2.84 0.24 0.00 0.00 174.94 172.99 2q7i s PRO 817 N -3.98 4.24 0.36 0.37 0.02 -1.26 -1.05 135.00 133.71 2q7i s PRO 817 Ca 0.16 2.23 0.07 0.00 0.02 0.00 0.00 61.00 63.49 2q7i s PRO 817 Cb 0.06 -2.98 0.78 0.00 0.02 0.00 0.00 34.50 32.38 2q7i s PRO 817 CO -0.03 -0.29 1.93 0.28 -0.33 0.00 0.00 177.00 178.55 2q7i h VAL 818 N 2.89 0.96 -0.07 3.83 2.07 -1.42 -0.75 116.25 123.75 2q7i h VAL 818 Ca -0.49 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 66.78 2q7i h VAL 818 Cb 1.23 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 31.17 2q7i h VAL 818 CO 0.65 0.13 0.00 0.47 0.02 0.00 0.00 177.57 178.84 2q7i n ASP 819 N -4.50 0.80 0.00 0.57 8.00 -1.26 -5.02 116.55 115.14 2q7i n ASP 819 Ca 0.13 -1.50 0.00 0.00 0.71 0.00 0.00 54.79 54.13 2q7i n ASP 819 Cb 0.31 -0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.37 2q7i n ASP 819 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2q7i n GLY 820 N 0.98 0.87 3.94 0.44 0.00 -0.29 -5.04 105.19 106.10 2q7i n GLY 820 Ca 0.16 -1.80 -0.26 0.00 0.00 0.00 0.00 46.02 44.12 2q7i n GLY 820 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2q7i s LEU 821 N -1.10 2.83 0.13 0.99 1.43 -1.26 -4.68 118.68 117.02 2q7i s LEU 821 Ca 0.00 0.23 -0.19 0.00 -1.03 0.00 0.00 54.13 53.14 2q7i s LEU 821 Cb 0.00 -2.67 -0.03 0.00 0.03 0.00 0.00 46.19 43.53 2q7i s LEU 821 CO 0.00 -1.93 1.74 0.50 0.23 0.00 0.00 176.35 176.90 2q7i h LYS 822 N -0.83 0.16 -3.14 1.70 3.11 -1.96 -3.30 116.57 112.31 2q7i h LYS 822 Ca -0.43 -0.01 -0.62 0.00 -2.81 0.00 0.00 60.65 56.78 2q7i h LYS 822 Cb 1.29 -0.03 -0.41 0.00 -1.00 0.00 0.00 32.23 32.07 2q7i h LYS 822 CO 0.51 0.10 -0.66 1.21 -2.81 0.00 0.00 179.45 177.80 2q7i s ASN 823 N -5.30 4.14 0.31 4.20 3.84 -1.26 -4.98 114.94 115.89 2q7i s ASN 823 Ca -0.13 -3.18 0.01 0.00 0.21 0.00 0.00 52.86 49.76 2q7i s ASN 823 Cb 0.10 -1.42 0.55 0.00 -0.55 0.00 0.00 41.25 39.92 2q7i s ASN 823 CO 0.69 -0.19 1.94 -0.61 -2.79 0.00 0.00 177.10 176.15 2q7i h GLN 824 N 6.17 0.97 -0.41 0.43 5.75 -1.96 -2.97 115.11 123.09 2q7i h GLN 824 Ca 0.03 -0.06 0.01 0.00 -0.15 0.00 0.00 58.65 58.48 2q7i h GLN 824 Cb 0.86 -0.22 -0.03 0.00 1.07 0.00 0.00 27.48 29.16 2q7i h GLN 824 CO 0.63 0.64 0.25 0.87 -2.65 0.00 0.00 178.83 178.57 2q7i h LYS 825 N 1.00 0.50 -0.53 1.69 6.56 -1.94 0.37 116.57 124.22 2q7i h LYS 825 Ca 0.34 -0.03 -0.06 0.00 -1.06 0.00 0.00 60.65 59.84 2q7i h LYS 825 Cb 0.08 -0.11 -0.02 0.00 -0.57 0.00 0.00 32.23 31.61 2q7i h LYS 825 CO -0.11 0.33 0.10 0.74 -2.06 0.00 0.00 179.45 178.45 2q7i h PHE 826 N 0.51 0.86 -0.11 -1.35 0.04 -1.89 -1.80 116.94 113.21 2q7i h PHE 826 Ca 0.16 -0.09 -0.01 0.00 2.80 0.00 0.00 57.97 60.83 2q7i h PHE 826 Cb -0.01 -0.25 -0.00 0.00 2.20 0.00 0.00 35.95 37.89 2q7i h PHE 826 CO -0.06 0.74 0.02 0.35 -0.60 0.00 0.00 178.31 178.75 2q7i h PHE 827 N 0.79 0.18 -0.88 -0.55 3.04 -1.40 -2.24 116.94 115.89 2q7i h PHE 827 Ca 0.17 -0.02 0.05 0.00 3.98 0.00 0.00 57.97 62.15 2q7i h PHE 827 Cb 0.34 -0.05 -0.06 0.00 2.56 0.00 0.00 35.95 38.74 2q7i h PHE 827 CO 0.02 0.36 0.55 -0.44 -2.02 0.00 0.00 178.31 176.78 2q7i h ASP 828 N -0.05 0.88 -0.50 0.41 3.32 -0.64 0.68 116.42 120.52 2q7i h ASP 828 Ca 0.03 0.01 -0.06 0.00 0.02 0.00 0.00 57.03 57.03 2q7i h ASP 828 Cb 0.28 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 2q7i h ASP 828 CO 0.00 0.58 0.07 -0.08 -1.72 0.00 0.00 179.24 178.09 2q7i h GLU 829 N 1.03 0.83 -0.16 3.56 4.57 -1.36 -1.12 114.58 121.93 2q7i h GLU 829 Ca 0.37 -0.23 -0.02 0.00 -1.18 0.00 0.00 59.36 58.30 2q7i h GLU 829 Cb 0.12 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.61 2q7i h GLU 829 CO -0.16 0.83 0.01 1.25 -1.18 0.00 0.00 179.01 179.76 2q7i h LEU 830 N 0.71 0.27 -0.46 1.64 5.85 -0.71 -1.88 115.31 120.73 2q7i h LEU 830 Ca 0.15 -0.30 0.02 0.00 0.84 0.00 0.00 57.88 58.59 2q7i h LEU 830 Cb 0.41 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.33 2q7i h LEU 830 CO 0.01 0.50 0.27 -0.09 -0.34 0.00 0.00 178.44 178.79 2q7i h ARG 831 N 0.03 0.53 -0.47 1.25 2.43 -0.88 -2.02 114.38 115.25 2q7i h ARG 831 Ca 0.05 -0.03 0.09 0.00 -0.81 0.00 0.00 59.98 59.27 2q7i h ARG 831 Cb 0.36 -0.12 -0.07 0.00 -0.42 0.00 0.00 29.97 29.72 2q7i h ARG 831 CO 0.01 0.35 0.03 1.98 -1.51 0.00 0.00 179.97 180.82 2q7i h MET 832 N 0.55 0.14 -0.26 0.20 4.05 -1.08 -1.20 114.93 117.32 2q7i h MET 832 Ca 0.19 -0.01 -0.09 0.00 -0.28 0.00 0.00 59.70 59.51 2q7i h MET 832 Cb 0.02 -0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 30.77 2q7i h MET 832 CO -0.09 0.09 -0.21 -0.91 0.23 0.00 0.00 176.91 176.02 2q7i h ASN 833 N 0.14 0.47 0.29 1.39 -0.26 -0.97 -1.13 115.58 115.51 2q7i h ASN 833 Ca 0.24 -0.14 -0.12 0.00 -0.56 0.00 0.00 56.30 55.71 2q7i h ASN 833 Cb 0.34 -0.13 -0.01 0.00 -1.06 0.00 0.00 38.32 37.46 2q7i h ASN 833 CO -0.37 0.69 -0.48 1.88 -1.06 0.00 0.00 177.43 178.09 2q7i h TYR 834 N 0.42 0.27 -0.39 1.19 -1.99 -0.94 -0.29 116.97 115.25 2q7i h TYR 834 Ca 0.07 -0.09 -0.04 0.00 2.00 0.00 0.00 58.73 60.67 2q7i h TYR 834 Cb 0.61 -0.06 -0.02 0.00 2.00 0.00 0.00 36.73 39.27 2q7i h TYR 834 CO 0.02 0.67 0.08 0.82 -0.00 0.00 0.00 178.16 179.75 2q7i h ILE 835 N 0.18 1.23 -0.81 -2.88 2.04 -0.89 -2.07 117.51 114.32 2q7i h ILE 835 Ca 0.01 -0.82 -0.01 0.00 1.00 0.00 0.00 64.86 65.04 2q7i h ILE 835 Cb 0.92 1.01 -0.04 0.00 -0.74 0.00 0.00 36.82 37.97 2q7i h ILE 835 CO 0.07 0.28 0.45 0.11 0.00 0.00 0.00 178.15 179.06 2q7i h LYS 836 N 0.50 1.12 -0.73 2.37 1.57 -0.96 -1.08 116.57 119.36 2q7i h LYS 836 Ca 0.12 -0.12 -0.07 0.00 -1.87 0.00 0.00 60.65 58.71 2q7i h LYS 836 Cb 0.33 -0.22 -0.03 0.00 0.08 0.00 0.00 32.23 32.39 2q7i h LYS 836 CO 0.00 0.81 0.20 0.93 -0.57 0.00 0.00 179.45 180.82 2q7i h GLU 837 N 1.12 1.15 -0.21 3.15 4.39 -0.92 -1.81 114.58 121.45 2q7i h GLU 837 Ca 0.29 -0.26 -0.02 0.00 0.34 0.00 0.00 59.36 59.71 2q7i h GLU 837 Cb 0.02 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 28.50 2q7i h GLU 837 CO -0.05 0.99 0.06 1.25 -1.16 0.00 0.00 179.01 180.11 2q7i h LEU 838 N 1.09 0.31 -1.06 1.33 5.85 -0.86 -2.21 115.31 119.75 2q7i h LEU 838 Ca 0.23 -0.21 0.06 0.00 0.84 0.00 0.00 57.88 58.81 2q7i h LEU 838 Cb 0.35 -0.08 -0.06 0.00 0.37 0.00 0.00 40.66 41.23 2q7i h LEU 838 CO -0.00 0.44 0.63 -0.78 -0.34 0.00 0.00 178.44 178.38 2q7i h ASP 839 N 0.17 0.99 0.48 1.25 3.58 -1.07 -1.90 116.42 119.92 2q7i h ASP 839 Ca 0.07 0.01 -0.14 0.00 0.42 0.00 0.00 57.03 57.38 2q7i h ASP 839 Cb 0.24 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 41.07 2q7i h ASP 839 CO -0.00 0.63 -0.64 0.08 -2.88 0.00 0.00 179.24 176.44 2q7i h ARG 840 N 1.12 0.14 -0.07 0.28 0.11 -1.16 -2.37 114.38 112.43 2q7i h ARG 840 Ca 0.42 -0.11 -0.07 0.00 0.10 0.00 0.00 59.98 60.32 2q7i h ARG 840 Cb 0.18 0.02 -0.01 0.00 1.11 0.00 0.00 29.97 31.26 2q7i h ARG 840 CO -0.16 0.73 -0.29 0.82 0.10 0.00 0.00 179.97 181.17 2q7i h ILE 841 N 0.10 1.24 -0.91 0.08 1.08 -0.93 -3.51 117.51 114.66 2q7i h ILE 841 Ca -0.01 -1.13 0.00 0.00 -0.39 0.00 0.00 64.86 63.34 2q7i h ILE 841 Cb 1.14 1.51 0.00 0.00 -3.07 0.00 0.00 36.82 36.40 2q7i h ILE 841 CO 0.09 0.33 0.00 -0.38 -0.69 0.00 0.00 178.15 177.50 2q7i n ILE 842 N -4.15 0.00 0.00 -0.67 5.41 -0.76 -5.00 119.36 114.19 2q7i n ILE 842 Ca -0.01 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.74 2q7i n ILE 842 Cb 0.37 -1.25 0.00 0.00 -0.71 0.00 0.00 39.64 38.05 2q7i n ILE 842 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 2q7i n SER 851 N -0.85 0.00 -0.22 4.38 3.41 -1.26 -4.96 113.62 114.13 2q7i n SER 851 Ca 0.00 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.53 2q7i n SER 851 Cb 0.00 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 63.98 2q7i n SER 851 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2q7i h SER 853 N 0.91 0.98 -0.31 0.00 0.02 -2.00 -0.15 113.55 113.00 2q7i h SER 853 Ca 0.19 -0.42 0.00 0.00 -0.84 0.00 0.00 61.79 60.72 2q7i h SER 853 Cb 0.40 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.65 2q7i h SER 853 CO 0.01 1.19 0.20 0.03 -1.14 0.00 0.00 176.83 177.12 2q7i h ARG 854 N 0.78 0.41 -0.28 3.45 -0.00 -1.97 -0.51 114.38 116.25 2q7i h ARG 854 Ca 0.09 -0.03 -0.02 0.00 -0.50 0.00 0.00 59.98 59.52 2q7i h ARG 854 Cb 0.85 -0.09 -0.01 0.00 0.00 0.00 0.00 29.97 30.72 2q7i h ARG 854 CO 0.08 0.28 0.10 -0.09 0.00 0.00 0.00 179.97 180.34 2q7i h ARG 855 N 0.42 0.42 -0.70 0.04 9.65 -0.93 -0.59 114.38 122.69 2q7i h ARG 855 Ca 0.11 -0.08 -0.01 0.00 -1.10 0.00 0.00 59.98 58.90 2q7i h ARG 855 Cb -0.04 -0.07 -0.03 0.00 -1.39 0.00 0.00 29.97 28.44 2q7i h ARG 855 CO -0.02 0.46 0.39 0.35 2.80 0.00 0.00 179.97 183.94 2q7i h PHE 856 N 0.29 0.96 -0.32 2.20 3.57 -0.92 -0.71 116.94 122.01 2q7i h PHE 856 Ca 0.09 -0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.62 2q7i h PHE 856 Cb 0.20 -0.31 -0.04 0.00 2.79 0.00 0.00 35.95 38.59 2q7i h PHE 856 CO -0.00 0.68 0.06 -0.92 -2.23 0.00 0.00 178.31 175.89 2q7i h TYR 857 N 0.96 0.10 -0.22 0.41 3.20 -0.84 -1.66 116.97 118.92 2q7i h TYR 857 Ca 0.25 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.14 2q7i h TYR 857 Cb 0.03 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.30 2q7i h TYR 857 CO -0.00 0.02 0.14 1.96 -1.64 0.00 0.00 178.16 178.63 2q7i h GLN 858 N 0.17 0.29 -0.42 1.82 4.20 -0.53 -1.34 115.11 119.30 2q7i h GLN 858 Ca 0.15 -0.02 -0.15 0.00 0.06 0.00 0.00 58.65 58.69 2q7i h GLN 858 Cb 0.16 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.87 2q7i h GLN 858 CO -0.20 0.22 -0.32 -0.07 -0.67 0.00 0.00 178.83 177.79 2q7i h LEU 859 N 0.28 1.02 -0.84 1.46 3.38 -1.08 -0.81 115.31 118.72 2q7i h LEU 859 Ca 0.08 -0.44 -0.07 0.00 0.09 0.00 0.00 57.88 57.55 2q7i h LEU 859 Cb -0.01 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.43 2q7i h LEU 859 CO -0.02 1.24 0.13 0.71 0.09 0.00 0.00 178.44 180.59 2q7i h THR 860 N 0.80 1.25 -0.71 0.22 1.35 -1.26 0.42 112.91 114.99 2q7i h THR 860 Ca 0.08 -0.94 0.01 0.00 -0.55 0.00 0.00 66.41 65.00 2q7i h THR 860 Cb 0.91 0.64 -0.03 0.00 -1.73 0.00 0.00 68.15 67.93 2q7i h THR 860 CO 0.09 0.35 0.46 0.11 -0.25 0.00 0.00 175.52 176.28 2q7i h LYS 861 N 0.94 0.93 -0.33 4.72 1.79 -1.10 -0.55 116.57 122.98 2q7i h LYS 861 Ca 0.20 -0.06 -0.04 0.00 -2.18 0.00 0.00 60.65 58.56 2q7i h LYS 861 Cb 0.37 -0.21 -0.01 0.00 -1.58 0.00 0.00 32.23 30.80 2q7i h LYS 861 CO 0.00 0.63 0.04 1.25 -1.08 0.00 0.00 179.45 180.29 2q7i h LEU 862 N 0.96 0.53 -0.37 2.94 5.85 -0.62 -2.03 115.31 122.57 2q7i h LEU 862 Ca 0.26 -0.28 0.05 0.00 0.84 0.00 0.00 57.88 58.75 2q7i h LEU 862 Cb -0.10 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 40.74 2q7i h LEU 862 CO -0.05 0.68 0.10 -0.07 -0.34 0.00 0.00 178.44 178.75 2q7i h LEU 863 N 0.37 0.06 -1.07 2.25 3.38 -0.77 -1.75 115.31 117.78 2q7i h LEU 863 Ca 0.10 0.05 0.12 0.00 0.09 0.00 0.00 57.88 58.24 2q7i h LEU 863 Cb 0.38 0.06 -0.08 0.00 0.09 0.00 0.00 40.66 41.11 2q7i h LEU 863 CO 0.01 0.07 0.62 0.44 0.09 0.00 0.00 178.44 179.67 2q7i h ASP 864 N 0.23 0.88 0.42 -0.43 3.32 -0.91 -2.53 116.42 117.40 2q7i h ASP 864 Ca 0.17 0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.27 2q7i h ASP 864 Cb 0.18 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 39.60 2q7i h ASP 864 CO -0.21 0.47 -0.00 0.77 -1.72 0.00 0.00 179.24 178.55 2q7i h SER 865 N 0.94 0.00 -0.21 6.45 4.64 -0.57 -2.14 113.55 122.67 2q7i h SER 865 Ca 0.48 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.71 2q7i h SER 865 Cb 0.51 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.58 2q7i h SER 865 CO -0.25 0.00 -0.16 0.58 -0.87 0.00 0.00 176.83 176.13 2q7i h VAL 866 N 0.00 1.25 -0.27 0.95 2.07 -1.39 -3.34 116.25 115.52 2q7i h VAL 866 Ca -0.00 -1.17 -0.06 0.00 0.82 0.00 0.00 66.70 66.29 2q7i h VAL 866 Cb 0.21 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 2q7i h VAL 866 CO 0.00 0.39 -0.06 1.56 0.02 0.00 0.00 177.57 179.48 2q7i h GLN 867 N 0.56 0.52 -0.43 1.57 1.08 -1.53 -0.06 115.11 116.83 2q7i h GLN 867 Ca 0.09 -0.20 -0.02 0.00 -1.45 0.00 0.00 58.65 57.08 2q7i h GLN 867 Cb 0.60 -0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.97 2q7i h GLN 867 CO 0.04 0.72 0.19 -1.35 -0.95 0.00 0.00 178.83 177.49 2q7i h PRO 868 N 0.28 0.60 -0.11 1.46 0.11 -1.73 0.76 132.00 133.36 2q7i h PRO 868 Ca 0.07 -0.07 -0.01 0.00 0.11 0.00 0.00 66.00 66.10 2q7i h PRO 868 Cb 0.53 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 31.51 2q7i h PRO 868 CO 0.03 0.48 0.04 0.82 -0.21 0.00 0.00 178.00 179.15 2q7i h ILE 869 N 0.60 1.17 -0.83 4.15 2.04 -1.58 -1.72 117.51 121.33 2q7i h ILE 869 Ca 0.15 -0.50 0.03 0.00 1.00 0.00 0.00 64.86 65.54 2q7i h ILE 869 Cb 0.08 1.30 -0.05 0.00 -0.74 0.00 0.00 36.82 37.42 2q7i h ILE 869 CO -0.02 0.15 0.54 0.00 0.00 0.00 0.00 178.15 178.82 2q7i h ALA 870 N 0.86 1.09 -0.62 1.87 0.00 -0.67 -1.68 119.26 120.11 2q7i h ALA 870 Ca 0.04 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2q7i h ALA 870 Cb 0.20 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 2q7i h ALA 870 CO -0.00 0.38 0.38 -0.09 0.00 0.00 0.00 179.25 179.92 2q7i h ARG 871 N 1.06 0.84 -0.62 0.00 2.43 -0.62 0.24 114.38 117.71 2q7i h ARG 871 Ca 0.33 -0.07 -0.04 0.00 -0.81 0.00 0.00 59.98 59.38 2q7i h ARG 871 Cb -0.02 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 29.33 2q7i h ARG 871 CO -0.11 0.60 0.22 0.93 -1.51 0.00 0.00 179.97 180.10 2q7i h GLU 872 N 0.84 0.92 -0.29 0.20 5.08 -0.85 -1.18 114.58 119.29 2q7i h GLU 872 Ca 0.22 -0.16 -0.18 0.00 -1.00 0.00 0.00 59.36 58.24 2q7i h GLU 872 Cb -0.03 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.07 2q7i h GLU 872 CO -0.04 0.77 -0.54 -0.07 -1.00 0.00 0.00 179.01 178.13 2q7i h LEU 873 N 0.89 0.95 -0.39 1.33 3.38 -0.84 -1.39 115.31 119.25 2q7i h LEU 873 Ca 0.21 -0.51 0.07 0.00 0.09 0.00 0.00 57.88 57.74 2q7i h LEU 873 Cb 0.22 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 40.63 2q7i h LEU 873 CO -0.01 1.30 0.03 0.45 0.09 0.00 0.00 178.44 180.30 2q7i h HIS 874 N 0.66 0.03 -0.39 1.13 3.86 -0.22 0.20 115.15 120.43 2q7i h HIS 874 Ca 0.02 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.24 2q7i h HIS 874 Cb 1.14 0.04 -0.02 0.00 1.06 0.00 0.00 27.41 29.63 2q7i h HIS 874 CO 0.07 -0.04 0.19 0.37 0.86 0.00 0.00 177.93 179.38 2q7i h GLN 875 N 0.14 0.55 -0.09 2.45 5.75 -1.12 -1.27 115.11 121.52 2q7i h GLN 875 Ca 0.19 -0.08 -0.00 0.00 -0.15 0.00 0.00 58.65 58.61 2q7i h GLN 875 Cb 0.25 -0.10 -0.00 0.00 1.07 0.00 0.00 27.48 28.70 2q7i h GLN 875 CO -0.29 0.48 0.05 0.35 -2.65 0.00 0.00 178.83 176.77 2q7i h PHE 876 N 0.49 0.12 -0.29 3.99 3.04 -0.90 -1.58 116.94 121.81 2q7i h PHE 876 Ca 0.13 -0.00 -0.12 0.00 3.98 0.00 0.00 57.97 61.96 2q7i h PHE 876 Cb 0.10 -0.04 -0.01 0.00 2.56 0.00 0.00 35.95 38.56 2q7i h PHE 876 CO -0.02 0.13 -0.32 0.00 -2.02 0.00 0.00 178.31 176.08 2q7i h THR 877 N 0.07 1.28 0.23 4.41 1.03 -0.93 -0.82 112.91 118.17 2q7i h THR 877 Ca 0.03 -1.44 -0.01 0.00 -0.01 0.00 0.00 66.41 64.97 2q7i h THR 877 Cb 0.05 1.41 0.00 0.00 -1.07 0.00 0.00 68.15 68.55 2q7i h THR 877 CO -0.01 0.46 -0.11 0.15 -0.01 0.00 0.00 175.52 176.01 2q7i h PHE 878 N 0.53 -0.28 -0.91 0.00 3.57 -1.13 0.23 116.94 118.94 2q7i h PHE 878 Ca 0.06 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.61 2q7i h PHE 878 Cb 0.81 0.09 -0.06 0.00 2.79 0.00 0.00 35.95 39.59 2q7i h PHE 878 CO 0.03 -0.16 0.59 -0.44 -2.23 0.00 0.00 178.31 176.11 2q7i h ASP 879 N -0.33 0.93 -0.36 0.41 3.32 -1.13 -2.23 116.42 117.04 2q7i h ASP 879 Ca -0.03 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.93 2q7i h ASP 879 Cb 0.25 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 2q7i h ASP 879 CO 0.05 0.60 -0.12 0.25 -1.72 0.00 0.00 179.24 178.30 2q7i h LEU 880 N 1.05 0.73 -0.42 1.55 5.85 -0.91 -2.78 115.31 120.39 2q7i h LEU 880 Ca 0.38 -0.38 0.04 0.00 0.84 0.00 0.00 57.88 58.76 2q7i h LEU 880 Cb 0.16 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 40.95 2q7i h LEU 880 CO -0.14 0.94 0.18 0.25 -0.34 0.00 0.00 178.44 179.33 2q7i h LEU 881 N 0.50 0.23 -0.96 2.25 5.85 -0.54 0.17 115.31 122.82 2q7i h LEU 881 Ca 0.09 0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.86 2q7i h LEU 881 Cb 0.65 -0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.62 2q7i h LEU 881 CO 0.04 0.17 0.63 0.40 -0.34 0.00 0.00 178.44 179.35 2q7i h ILE 882 N 0.37 1.22 -0.63 4.05 1.08 -1.30 -2.31 117.51 119.99 2q7i h ILE 882 Ca 0.19 -0.44 0.00 0.00 -0.39 0.00 0.00 64.86 64.22 2q7i h ILE 882 Cb 0.13 -0.17 0.00 0.00 -3.07 0.00 0.00 36.82 33.72 2q7i h ILE 882 CO -0.16 0.23 0.00 2.29 -0.69 0.00 0.00 178.15 179.82 2q7i n LYS 883 N -4.43 3.69 -0.19 2.37 2.85 -1.05 -4.68 118.16 116.71 2q7i n LYS 883 Ca 0.12 -2.87 0.03 0.00 -1.05 0.00 0.00 58.31 54.54 2q7i n LYS 883 Cb 0.04 -1.87 0.29 0.00 -0.65 0.00 0.00 35.03 32.84 2q7i n LYS 883 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 2q7i h SER 884 N 3.94 0.77 0.05 -5.58 4.64 -0.06 0.08 113.55 117.38 2q7i h SER 884 Ca 0.00 -0.01 -0.03 0.00 -0.47 0.00 0.00 61.79 61.28 2q7i h SER 884 Cb 1.43 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 63.33 2q7i h SER 884 CO 0.22 0.53 -0.08 1.12 -0.87 0.00 0.00 176.83 177.75 2q7i h HIS 885 N 0.90 0.10 0.00 4.77 2.07 -1.82 -1.99 115.15 119.18 2q7i h HIS 885 Ca 0.29 -0.01 -0.04 0.00 -2.85 0.00 0.00 60.37 57.76 2q7i h HIS 885 Cb 0.04 -0.03 -0.01 0.00 2.57 0.00 0.00 27.41 29.98 2q7i h HIS 885 CO -0.00 0.18 -0.18 0.52 -3.07 0.00 0.00 177.93 175.38 2q7i h MET 886 N 0.09 0.00 -0.10 5.12 2.07 -1.34 -3.34 114.93 117.44 2q7i h MET 886 Ca 0.02 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.65 2q7i h MET 886 Cb 0.21 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 29.94 2q7i h MET 886 CO 0.01 0.18 0.00 1.33 1.07 0.00 0.00 176.91 179.50 2q7i n VAL 887 N -3.18 1.19 -3.25 -2.22 0.24 -0.99 -5.00 118.33 105.13 2q7i n VAL 887 Ca 0.02 -1.22 -0.23 0.00 -2.04 0.00 0.00 64.34 60.87 2q7i n VAL 887 Cb 0.55 0.36 0.03 0.00 -1.47 0.00 0.00 33.84 33.31 2q7i n VAL 887 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 2q7i n SER 888 N -0.37 -5.28 -4.67 -1.34 7.64 -0.79 -4.62 113.62 104.20 2q7i n SER 888 Ca 0.06 -0.38 -0.37 0.00 1.01 0.00 0.00 58.87 59.20 2q7i n SER 888 Cb 0.38 -4.28 -0.09 0.00 -1.01 0.00 0.00 64.21 59.21 2q7i n SER 888 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2q7i s VAL 889 N -3.12 5.35 -0.10 0.44 1.01 -0.96 -4.81 120.40 118.20 2q7i s VAL 889 Ca 0.39 0.24 -0.19 0.00 0.00 0.00 0.00 61.98 62.42 2q7i s VAL 889 Cb -0.18 -3.52 -0.04 0.00 0.00 0.00 0.00 36.38 32.63 2q7i s VAL 889 CO 0.48 0.34 0.51 -1.81 0.00 0.00 0.00 175.10 174.62 2q7i s ASP 890 N 1.02 6.75 -0.19 3.32 1.01 -1.26 -4.62 116.67 122.69 2q7i s ASP 890 Ca 0.09 0.89 -0.03 0.00 0.71 0.00 0.00 52.55 54.21 2q7i s ASP 890 Cb -0.13 -2.30 -0.01 0.00 1.01 0.00 0.00 42.92 41.48 2q7i s ASP 890 CO 0.04 0.01 -0.07 -0.36 0.21 0.00 0.00 175.17 175.01 2q7i s PHE 891 N 0.49 2.93 1.11 4.23 0.40 -1.26 -4.55 117.98 121.33 2q7i s PHE 891 Ca 0.28 -0.80 -0.15 0.00 -0.60 0.00 0.00 56.93 55.65 2q7i s PHE 891 Cb -0.16 -2.02 0.24 0.00 0.51 0.00 0.00 43.02 41.60 2q7i s PHE 891 CO 0.12 -0.41 1.09 -2.14 0.70 0.00 0.00 175.22 174.58 2q7i s PRO 892 N 1.06 -0.49 0.08 0.24 0.02 -1.26 -4.72 135.00 129.94 2q7i s PRO 892 Ca 0.01 0.29 -0.29 0.00 0.02 0.00 0.00 61.00 61.03 2q7i s PRO 892 Cb -0.15 -1.65 -0.17 0.00 0.02 0.00 0.00 34.50 32.55 2q7i s PRO 892 CO -0.01 -3.30 1.66 1.49 -0.33 0.00 0.00 177.00 176.52 2q7i h GLU 893 N -2.29 -0.49 -0.60 5.54 4.81 -1.99 -1.22 114.58 118.33 2q7i h GLU 893 Ca -0.52 0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 58.67 2q7i h GLU 893 Cb 1.32 0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.79 2q7i h GLU 893 CO 0.48 -0.32 0.06 0.52 -0.73 0.00 0.00 179.01 179.02 2q7i h MET 894 N -0.52 1.01 -0.08 1.92 2.86 -1.98 -1.95 114.93 116.19 2q7i h MET 894 Ca -0.05 -0.29 0.02 0.00 -2.06 0.00 0.00 59.70 57.31 2q7i h MET 894 Cb 0.40 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.93 2q7i h MET 894 CO 0.09 0.97 -0.03 0.52 1.06 0.00 0.00 176.91 179.52 2q7i h MET 895 N 0.91 -0.01 -0.82 1.72 2.86 -1.89 0.73 114.93 118.43 2q7i h MET 895 Ca 0.18 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.84 2q7i h MET 895 Cb 0.47 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.09 2q7i h MET 895 CO 0.02 -0.01 0.54 0.00 1.06 0.00 0.00 176.91 178.52 2q7i h ALA 896 N 1.07 1.06 0.28 6.32 0.00 -1.11 0.44 119.26 127.31 2q7i h ALA 896 Ca 0.04 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2q7i h ALA 896 Cb 0.08 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.56 2q7i h ALA 896 CO -0.09 0.42 -0.13 1.49 0.00 0.00 0.00 179.25 180.93 2q7i h GLU 897 N 1.08 -0.36 -0.80 0.00 4.81 -1.12 -2.39 114.58 115.81 2q7i h GLU 897 Ca 0.31 0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.53 2q7i h GLU 897 Cb -0.08 0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.35 2q7i h GLU 897 CO -0.08 -0.07 0.35 0.82 -0.73 0.00 0.00 179.01 179.29 2q7i h ILE 898 N -0.65 1.26 0.00 2.32 2.04 -0.71 -0.05 117.51 121.72 2q7i h ILE 898 Ca -0.04 -0.77 -0.07 0.00 1.00 0.00 0.00 64.86 64.98 2q7i h ILE 898 Cb 0.46 0.27 -0.01 0.00 -0.74 0.00 0.00 36.82 36.80 2q7i h ILE 898 CO 0.06 0.32 -0.33 0.40 0.00 0.00 0.00 178.15 178.61 2q7i h ILE 899 N 1.15 0.79 0.00 -0.67 2.04 -0.93 -0.14 117.51 119.75 2q7i h ILE 899 Ca 0.27 -1.38 -0.13 0.00 1.00 0.00 0.00 64.86 64.62 2q7i h ILE 899 Cb 0.17 1.86 -0.02 0.00 -0.74 0.00 0.00 36.82 38.09 2q7i h ILE 899 CO -0.03 0.32 -1.68 -1.54 0.00 0.00 0.00 178.15 175.22 2q7i n SER 900 N -3.51 0.47 -0.11 1.72 3.41 -0.90 -4.03 113.62 110.67 2q7i n SER 900 Ca -0.00 0.20 -0.18 0.00 -0.26 0.00 0.00 58.87 58.63 2q7i n SER 900 Cb 0.48 0.85 -0.10 0.00 -0.26 0.00 0.00 64.21 65.18 2q7i n SER 900 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 2q7i n VAL 901 N -2.66 1.26 -0.12 -3.33 0.31 -0.06 -4.65 118.33 109.07 2q7i n VAL 901 Ca -0.11 -0.43 -0.23 0.00 -0.01 0.00 0.00 64.34 63.56 2q7i n VAL 901 Cb 0.78 -1.44 -0.09 0.00 -0.91 0.00 0.00 33.84 32.17 2q7i n VAL 901 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2q7i n GLN 902 N -3.42 0.54 -0.34 5.55 1.13 -0.18 -4.45 117.38 116.22 2q7i n GLN 902 Ca -0.41 0.20 0.06 0.00 -1.94 0.00 0.00 57.00 54.90 2q7i n GLN 902 Cb 0.88 -1.41 0.21 0.00 0.11 0.00 0.00 30.24 30.04 2q7i n GLN 902 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 2q7i h VAL 903 N -0.58 0.91 -0.04 5.09 2.07 -1.39 -1.21 116.25 121.10 2q7i h VAL 903 Ca -0.59 -0.31 0.01 0.00 0.82 0.00 0.00 66.70 66.63 2q7i h VAL 903 Cb 1.64 -0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 31.32 2q7i h VAL 903 CO -0.28 0.17 0.04 -0.65 0.02 0.00 0.00 177.57 176.87 2q7i h PRO 904 N 0.92 0.00 -0.37 1.57 0.11 -1.80 -0.40 132.00 132.03 2q7i h PRO 904 Ca 0.46 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.52 2q7i h PRO 904 Cb 0.44 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.53 2q7i h PRO 904 CO -0.26 0.00 0.01 0.87 -0.21 0.00 0.00 178.00 178.41 2q7i h LYS 905 N 0.00 0.58 -0.04 1.05 1.57 -1.43 0.12 116.57 118.42 2q7i h LYS 905 Ca 0.02 -0.13 -0.03 0.00 -1.87 0.00 0.00 60.65 58.64 2q7i h LYS 905 Cb 0.09 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.32 2q7i h LYS 905 CO -0.00 0.60 -0.09 0.82 -0.57 0.00 0.00 179.45 180.21 2q7i h ILE 906 N 0.56 1.43 0.00 1.86 2.04 -1.11 0.12 117.51 122.41 2q7i h ILE 906 Ca 0.12 -1.42 -0.07 0.00 1.00 0.00 0.00 64.86 64.49 2q7i h ILE 906 Cb 0.35 2.28 -0.01 0.00 -0.74 0.00 0.00 36.82 38.70 2q7i h ILE 906 CO 0.01 0.39 -0.32 -0.07 0.00 0.00 0.00 178.15 178.15 2q7i h LEU 907 N -0.39 0.00 -0.27 1.44 3.38 -1.07 -2.05 115.31 116.35 2q7i h LEU 907 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2q7i h LEU 907 Cb 0.67 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.42 2q7i h LEU 907 CO 0.02 0.32 -0.13 -1.54 0.09 0.00 0.00 178.44 177.20 2q7i n SER 908 N -4.06 0.56 0.00 -0.43 3.41 0.40 -4.94 113.62 108.55 2q7i n SER 908 Ca -0.02 -0.61 0.00 0.00 -0.26 0.00 0.00 58.87 57.98 2q7i n SER 908 Cb 0.37 -0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.28 2q7i n SER 908 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2q7i n GLY 909 N 1.29 0.75 0.19 5.00 0.00 -0.77 -4.93 105.19 106.72 2q7i n GLY 909 Ca 0.14 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.23 2q7i n GLY 909 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2q7i h LYS 910 N 3.06 0.00 -4.46 1.61 1.57 -1.03 -3.43 116.57 113.89 2q7i h LYS 910 Ca 0.00 0.00 -0.50 0.00 -1.87 0.00 0.00 60.65 58.28 2q7i h LYS 910 Cb 0.00 0.00 -0.34 0.00 0.08 0.00 0.00 32.23 31.97 2q7i h LYS 910 CO 0.00 0.29 -0.81 0.08 -0.57 0.00 0.00 179.45 178.45 2q7i s VAL 911 N -3.31 1.06 0.04 0.50 1.01 -0.52 -1.10 120.40 118.08 2q7i s VAL 911 Ca 0.03 -0.42 0.03 0.00 0.00 0.00 0.00 61.98 61.62 2q7i s VAL 911 Cb 0.08 -0.99 -0.02 0.00 0.00 0.00 0.00 36.38 35.46 2q7i s VAL 911 CO 0.68 0.34 -0.09 -0.54 0.00 0.00 0.00 175.10 175.49 2q7i s LYS 912 N 0.78 0.63 0.60 2.72 1.02 -0.21 -4.25 119.74 121.03 2q7i s LYS 912 Ca -0.12 -0.70 -0.18 0.00 0.02 0.00 0.00 55.97 54.99 2q7i s LYS 912 Cb -0.15 -0.51 -0.03 0.00 -0.52 0.00 0.00 37.83 36.62 2q7i s LYS 912 CO 0.02 0.11 1.17 -2.14 -0.92 0.00 0.00 175.35 173.59 2q7i s PRO 913 N -1.29 3.00 -0.37 -1.68 0.02 -1.26 -1.86 135.00 131.55 2q7i s PRO 913 Ca -0.05 1.68 -0.18 0.00 0.02 0.00 0.00 61.00 62.47 2q7i s PRO 913 Cb -0.08 -1.95 0.00 0.00 0.02 0.00 0.00 34.50 32.49 2q7i s PRO 913 CO 0.01 -1.15 0.52 0.42 -0.33 0.00 0.00 177.00 176.47 2q7i s ILE 914 N -1.80 5.00 0.02 2.83 1.01 0.12 -4.91 121.20 123.48 2q7i s ILE 914 Ca 0.74 0.23 -0.09 0.00 0.00 0.00 0.00 60.65 61.53 2q7i s ILE 914 Cb -0.27 -4.00 -0.05 0.00 0.01 0.00 0.00 42.46 38.15 2q7i s ILE 914 CO 0.33 -0.28 0.32 -0.31 0.00 0.00 0.00 174.94 175.00 2q7i s TYR 915 N 2.41 3.60 -0.02 3.97 2.02 -1.26 -4.89 117.35 123.18 2q7i s TYR 915 Ca 0.18 0.70 -0.25 0.00 -0.37 0.00 0.00 57.07 57.34 2q7i s TYR 915 Cb -0.15 -2.09 -0.20 0.00 -0.40 0.00 0.00 41.96 39.13 2q7i s TYR 915 CO 0.14 0.60 1.26 0.74 -1.57 0.00 0.00 175.55 176.71 2q7i h PHE 916 N 4.07 0.09 -3.05 2.71 0.04 -1.98 -3.46 116.94 115.37 2q7i h PHE 916 Ca -0.50 -0.03 -0.62 0.00 2.80 0.00 0.00 57.97 59.62 2q7i h PHE 916 Cb 1.20 -0.02 -0.08 0.00 2.20 0.00 0.00 35.95 39.25 2q7i h PHE 916 CO 0.69 0.57 -0.59 -1.01 -0.60 0.00 0.00 178.31 177.37 2q7i s HIS 917 N -4.15 3.19 0.07 -0.55 3.76 -1.26 -5.08 115.29 111.26 2q7i s HIS 917 Ca -0.16 0.06 -0.30 0.00 -0.15 0.00 0.00 55.06 54.51 2q7i s HIS 917 Cb 0.02 -1.59 -0.06 0.00 1.11 0.00 0.00 32.58 32.06 2q7i s HIS 917 CO 0.69 0.52 1.13 0.99 -0.85 0.00 0.00 174.74 177.22 2q7i s THR 918 N -1.49 4.18 -2.50 1.30 2.01 -1.26 -5.12 115.64 112.76 2q7i s THR 918 Ca 0.30 1.62 0.28 0.00 0.31 0.00 0.00 61.69 64.20 2q7i s THR 918 Cb -0.12 -4.04 0.55 0.00 0.01 0.00 0.00 72.50 68.90 2q7i s THR 918 CO 0.22 0.16 1.74 0.00 -0.69 0.00 0.00 174.62 176.06