#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qpy h ILE 672 N 0.00 1.42 -0.13 0.52 1.08 -2.07 -3.33 117.51 115.01 2qpy h ILE 672 Ca 0.00 -2.93 0.04 0.00 -0.39 0.00 0.00 64.86 61.58 2qpy h ILE 672 Cb 0.00 2.98 -0.04 0.00 -3.07 0.00 0.00 36.82 36.69 2qpy h ILE 672 CO 0.00 0.86 -0.13 0.15 -0.69 0.00 0.00 178.15 178.34 2qpy h PHE 673 N 0.10 -0.33 -0.14 1.37 3.57 -2.03 -2.01 116.94 117.48 2qpy h PHE 673 Ca -0.18 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.35 2qpy h PHE 673 Cb 2.05 0.17 -0.01 0.00 2.79 0.00 0.00 35.95 40.95 2qpy h PHE 673 CO 0.09 -0.20 0.09 1.25 -2.23 0.00 0.00 178.31 177.32 2qpy h LEU 674 N -0.16 0.11 -1.02 0.59 5.85 -2.00 -1.34 115.31 117.34 2qpy h LEU 674 Ca 0.09 -0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.73 2qpy h LEU 674 Cb 0.29 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 2qpy h LEU 674 CO -0.22 0.08 -0.15 0.78 -0.34 0.00 0.00 178.44 178.59 2qpy h ASN 675 N 0.13 0.52 0.41 1.25 2.35 -1.47 -2.83 115.58 115.94 2qpy h ASN 675 Ca 0.06 -0.15 -0.02 0.00 -0.55 0.00 0.00 56.30 55.64 2qpy h ASN 675 Cb 0.06 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.30 2qpy h ASN 675 CO -0.01 0.70 -0.20 0.58 -1.65 0.00 0.00 177.43 176.85 2qpy h VAL 676 N 0.49 0.44 -0.84 2.81 2.07 -0.98 -1.78 116.25 118.45 2qpy h VAL 676 Ca 0.09 -0.57 0.19 0.00 0.82 0.00 0.00 66.70 67.22 2qpy h VAL 676 Cb 0.54 0.65 -0.06 0.00 -1.52 0.00 0.00 31.29 30.90 2qpy h VAL 676 CO 0.03 0.08 0.57 -0.07 0.02 0.00 0.00 177.57 178.20 2qpy h LEU 677 N -0.95 0.34 -0.23 2.57 3.38 -1.53 0.25 115.31 119.15 2qpy h LEU 677 Ca -0.06 0.03 -0.21 0.00 0.09 0.00 0.00 57.88 57.73 2qpy h LEU 677 Cb 0.56 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 2qpy h LEU 677 CO 0.09 0.15 -0.91 -0.08 0.09 0.00 0.00 178.44 177.78 2qpy h GLU 678 N 0.35 0.27 0.02 1.13 4.81 -1.49 -2.45 114.58 117.22 2qpy h GLU 678 Ca 0.43 -0.30 -0.21 0.00 -0.13 0.00 0.00 59.36 59.15 2qpy h GLU 678 Cb 1.13 0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.58 2qpy h GLU 678 CO -0.14 1.01 -0.98 0.00 -0.73 0.00 0.00 179.01 178.18 2qpy h ALA 679 N 0.88 0.40 -0.02 2.92 0.00 0.10 -3.25 119.26 120.29 2qpy h ALA 679 Ca -0.06 -0.84 0.00 0.00 0.00 0.00 0.00 54.91 54.01 2qpy h ALA 679 Cb 1.55 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.23 2qpy h ALA 679 CO 0.15 1.09 -0.02 0.44 0.00 0.00 0.00 179.25 180.91 2qpy n ILE 680 N -3.48 0.00 -1.77 0.00 -5.35 0.62 -4.92 119.36 104.46 2qpy n ILE 680 Ca -0.02 -0.32 -0.42 0.00 -0.27 0.00 0.00 62.75 61.72 2qpy n ILE 680 Cb 0.90 0.80 -0.03 0.00 -1.74 0.00 0.00 39.64 39.57 2qpy n ILE 680 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 2qpy s GLU 681 N -2.03 4.05 0.95 6.28 2.56 -0.92 -4.77 118.70 124.82 2qpy s GLU 681 Ca 0.34 2.41 -0.13 0.00 0.00 0.00 0.00 54.97 57.59 2qpy s GLU 681 Cb 0.21 -4.13 0.01 0.00 2.00 0.00 0.00 34.13 32.21 2qpy s GLU 681 CO 0.34 -1.04 0.23 -2.30 -0.56 0.00 0.00 175.26 171.93 2qpy n PRO 682 N 7.55 -0.23 -2.49 4.30 -0.02 -1.26 -5.03 135.00 137.82 2qpy n PRO 682 Ca 0.20 -0.03 -0.14 0.00 -2.02 0.00 0.00 63.50 61.50 2qpy n PRO 682 Cb 0.42 -1.73 0.05 0.00 -0.02 0.00 0.00 33.50 32.22 2qpy n PRO 682 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qpy n GLY 683 N 1.79 2.01 3.72 -1.23 0.00 -1.26 -5.06 105.19 105.16 2qpy n GLY 683 Ca 0.06 -2.20 -0.40 0.00 0.00 0.00 0.00 46.02 43.47 2qpy n GLY 683 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2qpy n VAL 684 N -1.89 3.15 -4.03 1.61 0.31 -1.26 -5.02 118.33 111.20 2qpy n VAL 684 Ca 0.11 -0.50 -0.19 0.00 -0.01 0.00 0.00 64.34 63.75 2qpy n VAL 684 Cb 0.44 -1.63 -0.16 0.00 -0.91 0.00 0.00 33.84 31.57 2qpy n VAL 684 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2qpy s VAL 685 N -1.25 0.37 0.02 2.52 1.01 -1.26 -5.14 120.40 116.67 2qpy s VAL 685 Ca 0.66 -0.01 -0.12 0.00 0.00 0.00 0.00 61.98 62.50 2qpy s VAL 685 Cb -0.45 -0.44 -0.06 0.00 0.00 0.00 0.00 36.38 35.43 2qpy s VAL 685 CO 0.54 0.19 0.38 0.00 0.00 0.00 0.00 175.10 176.22 2qpy h ALA 687 N 4.36 0.75 -1.76 0.00 0.00 -1.92 -3.46 119.26 117.24 2qpy h ALA 687 Ca -0.51 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.24 2qpy h ALA 687 Cb 1.21 0.01 0.02 0.00 0.00 0.00 0.00 17.79 19.03 2qpy h ALA 687 CO 0.63 0.11 -0.11 0.41 0.00 0.00 0.00 179.25 180.28 2qpy n GLY 688 N 1.16 0.68 3.76 0.00 0.00 -1.26 -4.39 105.19 105.14 2qpy n GLY 688 Ca 0.01 -0.53 -0.39 0.00 0.00 0.00 0.00 46.02 45.11 2qpy n GLY 688 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2qpy s HIS 689 N -3.01 3.69 -1.06 1.61 5.04 -1.26 -4.99 115.29 115.30 2qpy s HIS 689 Ca 0.09 1.25 -0.22 0.00 -1.54 0.00 0.00 55.06 54.64 2qpy s HIS 689 Cb -0.04 -2.65 0.03 0.00 0.04 0.00 0.00 32.58 29.96 2qpy s HIS 689 CO 0.12 0.34 1.62 0.34 -2.34 0.00 0.00 174.74 174.81 2qpy s ASP 690 N -0.16 6.25 0.00 9.88 -1.08 -1.26 -4.81 116.67 125.49 2qpy s ASP 690 Ca 0.32 -1.52 0.00 0.00 -0.52 0.00 0.00 52.55 50.83 2qpy s ASP 690 Cb -0.19 -2.57 0.00 0.00 -1.46 0.00 0.00 42.92 38.70 2qpy s ASP 690 CO 0.18 -1.75 0.20 0.59 0.52 0.00 0.00 175.17 174.92 2qpy n ASN 691 N 9.98 0.33 -0.03 -0.34 3.02 -1.26 -1.79 115.26 125.17 2qpy n ASN 691 Ca 0.38 -0.74 0.00 0.00 -0.03 0.00 0.00 54.58 54.20 2qpy n ASN 691 Cb 0.49 -0.17 0.01 0.00 -0.61 0.00 0.00 39.78 39.50 2qpy n ASN 691 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2qpy n ASN 692 N 0.23 1.69 -4.48 6.41 4.13 -1.26 -5.01 115.26 116.98 2qpy n ASN 692 Ca 0.00 -1.65 -0.33 0.00 1.68 0.00 0.00 54.58 54.27 2qpy n ASN 692 Cb 0.08 -0.01 -0.13 0.00 -1.54 0.00 0.00 39.78 38.19 2qpy n ASN 692 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 2qpy s GLN 693 N -0.66 2.85 -0.16 3.52 -1.52 -0.74 -5.07 119.66 117.88 2qpy s GLN 693 Ca 0.01 -0.65 -0.40 0.00 -1.95 0.00 0.00 55.36 52.37 2qpy s GLN 693 Cb 0.01 -2.52 -0.17 0.00 -0.22 0.00 0.00 33.01 30.10 2qpy s GLN 693 CO 0.01 0.51 1.54 -2.30 -0.25 0.00 0.00 175.29 174.80 2qpy n PRO 694 N 2.66 0.94 -1.68 2.91 -0.02 -1.26 -4.81 135.00 133.74 2qpy n PRO 694 Ca -0.18 0.34 -0.48 0.00 -2.02 0.00 0.00 63.50 61.16 2qpy n PRO 694 Cb 0.52 -1.98 -0.05 0.00 -0.02 0.00 0.00 33.50 31.98 2qpy n PRO 694 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2qpy n ASP 695 N 3.99 3.45 -4.17 2.55 10.43 -1.26 -4.95 116.55 126.59 2qpy n ASP 695 Ca 0.24 0.97 -0.15 0.00 2.57 0.00 0.00 54.79 58.42 2qpy n ASP 695 Cb 0.13 -1.37 -0.10 0.00 1.84 0.00 0.00 41.12 41.62 2qpy n ASP 695 CO 0.00 0.00 0.00 -0.94 -1.07 0.00 0.00 177.20 175.19 2qpy s SER 696 N 4.09 0.79 0.04 -2.24 1.04 -1.26 -5.04 113.70 111.12 2qpy s SER 696 Ca 0.93 -1.43 -0.25 0.00 0.48 0.00 0.00 55.95 55.68 2qpy s SER 696 Cb -0.69 0.31 -0.17 0.00 0.10 0.00 0.00 66.02 65.57 2qpy s SER 696 CO 0.52 -0.82 1.48 0.15 0.98 0.00 0.00 173.24 175.55 2qpy h PHE 697 N 2.46 -0.12 0.15 5.02 3.57 -1.93 -1.95 116.94 124.13 2qpy h PHE 697 Ca -0.36 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.13 2qpy h PHE 697 Cb 1.25 0.04 -0.00 0.00 2.79 0.00 0.00 35.95 40.03 2qpy h PHE 697 CO 0.55 0.12 -0.09 0.00 -2.23 0.00 0.00 178.31 176.67 2qpy h ALA 698 N 0.52 -0.22 0.37 2.41 0.00 -1.83 -1.34 119.26 119.18 2qpy h ALA 698 Ca -0.01 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 2qpy h ALA 698 Cb 0.30 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 2qpy h ALA 698 CO 0.02 -0.63 -0.37 0.00 0.00 0.00 0.00 179.25 178.27 2qpy h ALA 699 N 0.62 -0.81 0.39 0.00 0.00 -1.86 0.64 119.26 118.24 2qpy h ALA 699 Ca -0.01 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 2qpy h ALA 699 Cb 0.19 0.54 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 2qpy h ALA 699 CO 0.02 -0.99 -0.30 -0.07 0.00 0.00 0.00 179.25 177.91 2qpy h LEU 700 N -0.77 -0.77 -0.30 0.00 3.38 -1.36 -1.98 115.31 113.51 2qpy h LEU 700 Ca -0.03 0.06 0.01 0.00 0.09 0.00 0.00 57.88 58.02 2qpy h LEU 700 Cb 0.69 0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.67 2qpy h LEU 700 CO -0.06 -0.45 0.17 -0.07 0.09 0.00 0.00 178.44 178.12 2qpy h LEU 701 N -0.68 0.26 -1.33 1.67 -0.00 -1.24 -0.35 115.31 113.63 2qpy h LEU 701 Ca -0.03 0.01 0.13 0.00 -0.00 0.00 0.00 57.88 57.98 2qpy h LEU 701 Cb 0.59 -0.05 -0.06 0.00 -0.00 0.00 0.00 40.66 41.14 2qpy h LEU 701 CO -0.00 0.19 0.55 0.28 -0.00 0.00 0.00 178.44 179.46 2qpy h SER 702 N 0.34 0.63 -0.17 -0.43 0.02 -0.80 0.61 113.55 113.76 2qpy h SER 702 Ca 0.12 0.03 -0.09 0.00 -0.84 0.00 0.00 61.79 61.01 2qpy h SER 702 Cb 0.01 -0.10 -0.00 0.00 0.14 0.00 0.00 62.40 62.45 2qpy h SER 702 CO -0.07 0.34 -0.25 0.28 -1.14 0.00 0.00 176.83 176.00 2qpy h SER 703 N 0.68 0.52 -0.93 3.07 0.02 -0.68 -2.31 113.55 113.92 2qpy h SER 703 Ca 0.41 -0.52 0.05 0.00 -0.84 0.00 0.00 61.79 60.89 2qpy h SER 703 Cb 0.63 -0.15 -0.06 0.00 0.14 0.00 0.00 62.40 62.96 2qpy h SER 703 CO -0.17 0.94 0.60 -0.07 -1.14 0.00 0.00 176.83 176.98 2qpy h LEU 704 N 0.11 0.97 -0.85 5.07 3.38 0.15 0.25 115.31 124.39 2qpy h LEU 704 Ca 0.02 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.91 2qpy h LEU 704 Cb 0.83 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 2qpy h LEU 704 CO 0.06 0.63 -0.02 0.78 0.09 0.00 0.00 178.44 179.99 2qpy h ASN 705 N 1.11 0.82 -0.15 -0.43 2.35 -0.88 -0.05 115.58 118.35 2qpy h ASN 705 Ca 0.39 -0.21 -0.03 0.00 -0.55 0.00 0.00 56.30 55.90 2qpy h ASN 705 Cb 0.11 -0.22 -0.00 0.00 0.05 0.00 0.00 38.32 38.26 2qpy h ASN 705 CO -0.16 0.89 -0.04 -0.08 -1.65 0.00 0.00 177.43 176.40 2qpy h GLU 706 N 0.78 0.30 -0.61 0.81 4.57 -0.63 -1.49 114.58 118.31 2qpy h GLU 706 Ca 0.15 -0.11 0.05 0.00 -1.18 0.00 0.00 59.36 58.26 2qpy h GLU 706 Cb 0.49 -0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 29.03 2qpy h GLU 706 CO 0.02 0.58 0.40 1.25 -1.18 0.00 0.00 179.01 180.08 2qpy h LEU 707 N -0.01 0.57 -1.00 1.64 5.85 -0.36 0.69 115.31 122.69 2qpy h LEU 707 Ca 0.04 -0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.68 2qpy h LEU 707 Cb 0.47 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.35 2qpy h LEU 707 CO 0.02 0.38 -0.10 1.23 -0.34 0.00 0.00 178.44 179.63 2qpy h GLY 708 N 0.66 0.65 0.77 3.75 0.00 -0.61 0.34 103.07 108.63 2qpy h GLY 708 Ca 0.25 -0.46 -0.08 0.00 0.00 0.00 0.00 47.33 47.05 2qpy h GLY 708 CO -0.07 0.42 -0.20 -2.09 0.00 0.00 0.00 176.54 174.60 2qpy h GLU 709 N 0.56 0.41 -0.39 4.80 4.57 0.10 -1.18 114.58 123.45 2qpy h GLU 709 Ca 0.10 -0.23 -0.06 0.00 -1.18 0.00 0.00 59.36 57.99 2qpy h GLU 709 Cb 0.51 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.10 2qpy h GLU 709 CO 0.03 0.81 0.02 0.00 -1.18 0.00 0.00 179.01 178.69 2qpy h ARG 710 N 0.03 0.67 -0.01 1.92 3.08 -0.85 -2.83 114.38 116.39 2qpy h ARG 710 Ca 0.02 -0.20 -0.06 0.00 0.07 0.00 0.00 59.98 59.80 2qpy h ARG 710 Cb 0.76 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.73 2qpy h ARG 710 CO 0.05 0.75 -0.28 1.96 -1.07 0.00 0.00 179.97 181.38 2qpy h GLN 711 N 0.50 0.02 -0.57 0.04 1.08 -0.35 -2.92 115.11 112.91 2qpy h GLN 711 Ca 0.11 -0.01 -0.07 0.00 -1.45 0.00 0.00 58.65 57.23 2qpy h GLN 711 Cb 0.44 -0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.84 2qpy h GLN 711 CO 0.02 0.31 0.08 1.25 -0.95 0.00 0.00 178.83 179.53 2qpy h LEU 712 N 0.02 0.91 -1.56 1.46 5.85 -0.97 -2.14 115.31 118.88 2qpy h LEU 712 Ca 0.00 -0.27 -0.02 0.00 0.84 0.00 0.00 57.88 58.43 2qpy h LEU 712 Cb 0.51 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 2qpy h LEU 712 CO 0.04 0.95 0.07 0.58 -0.34 0.00 0.00 178.44 179.73 2qpy h VAL 713 N 0.84 1.12 0.05 1.05 2.07 -1.31 -2.05 116.25 118.02 2qpy h VAL 713 Ca 0.17 -0.42 -0.24 0.00 0.82 0.00 0.00 66.70 67.04 2qpy h VAL 713 Cb 0.43 0.86 -0.00 0.00 -1.52 0.00 0.00 31.29 31.06 2qpy h VAL 713 CO 0.01 0.15 -1.04 0.45 0.02 0.00 0.00 177.57 177.16 2qpy h HIS 714 N 0.36 0.45 -0.47 1.57 3.86 -1.51 -3.07 115.15 116.34 2qpy h HIS 714 Ca 0.09 -0.28 -0.07 0.00 -1.16 0.00 0.00 60.37 58.95 2qpy h HIS 714 Cb 0.13 -0.04 -0.02 0.00 1.06 0.00 0.00 27.41 28.54 2qpy h HIS 714 CO 0.00 1.14 0.02 0.28 0.86 0.00 0.00 177.93 180.23 2qpy h VAL 715 N 0.13 1.23 -0.30 2.45 2.07 -0.91 0.17 116.25 121.09 2qpy h VAL 715 Ca -0.09 -0.95 -0.01 0.00 0.82 0.00 0.00 66.70 66.47 2qpy h VAL 715 Cb 1.71 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 32.33 2qpy h VAL 715 CO 0.17 0.34 0.13 0.58 0.02 0.00 0.00 177.57 178.80 2qpy h VAL 716 N 0.71 1.17 -0.15 2.57 2.07 -1.40 0.45 116.25 121.68 2qpy h VAL 716 Ca 0.14 -0.51 -0.02 0.00 0.82 0.00 0.00 66.70 67.13 2qpy h VAL 716 Cb 0.41 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.13 2qpy h VAL 716 CO 0.02 0.18 0.01 0.11 0.02 0.00 0.00 177.57 177.90 2qpy h LYS 717 N 0.34 0.26 -0.49 1.57 1.57 -1.40 -1.79 116.57 116.63 2qpy h LYS 717 Ca 0.10 -0.08 0.06 0.00 -1.87 0.00 0.00 60.65 58.87 2qpy h LYS 717 Cb 0.16 -0.03 -0.06 0.00 0.08 0.00 0.00 32.23 32.39 2qpy h LYS 717 CO -0.01 0.47 0.18 2.35 -0.57 0.00 0.00 179.45 181.86 2qpy h TRP 718 N 0.01 0.31 -0.30 -1.35 7.01 -0.50 -2.03 115.95 119.11 2qpy h TRP 718 Ca 0.04 0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.07 2qpy h TRP 718 Cb 0.34 -0.07 -0.01 0.00 -2.10 0.00 0.00 29.16 27.32 2qpy h TRP 718 CO 0.03 0.10 0.19 0.00 -2.79 0.00 0.00 178.44 175.97 2qpy h ALA 719 N 1.32 0.38 -0.91 2.65 0.00 0.02 -2.24 119.26 120.48 2qpy h ALA 719 Ca 0.23 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.16 2qpy h ALA 719 Cb 0.24 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.85 2qpy h ALA 719 CO -0.24 -0.15 0.58 0.87 0.00 0.00 0.00 179.25 180.32 2qpy h LYS 720 N 0.40 1.07 0.00 0.00 1.57 -0.93 -0.42 116.57 118.26 2qpy h LYS 720 Ca 0.11 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.80 2qpy h LYS 720 Cb -0.03 -0.24 -0.00 0.00 0.08 0.00 0.00 32.23 32.04 2qpy h LYS 720 CO -0.02 0.71 -0.09 0.00 -0.57 0.00 0.00 179.45 179.47 2qpy h ALA 721 N 1.40 1.15 -2.48 3.86 0.00 -1.00 -3.41 119.26 118.79 2qpy h ALA 721 Ca 0.38 -0.08 -0.55 0.00 0.00 0.00 0.00 54.91 54.66 2qpy h ALA 721 Cb 0.08 -0.01 0.05 0.00 0.00 0.00 0.00 17.79 17.91 2qpy h ALA 721 CO -0.14 0.11 0.96 1.28 0.00 0.00 0.00 179.25 181.46 2qpy n LEU 722 N -3.42 3.68 -4.68 0.00 4.77 -0.17 -4.88 117.00 112.30 2qpy n LEU 722 Ca -0.01 1.05 -0.42 0.00 -0.03 0.00 0.00 56.01 56.60 2qpy n LEU 722 Cb 0.25 -1.51 -0.03 0.00 -2.33 0.00 0.00 43.42 39.80 2qpy n LEU 722 CO 0.28 0.01 1.52 -2.16 -1.33 0.00 0.00 177.39 175.71 2qpy s PRO 723 N 1.42 4.14 0.00 3.23 0.04 -1.26 -1.87 135.00 140.69 2qpy s PRO 723 Ca 0.78 2.60 0.00 0.00 0.04 0.00 0.00 61.00 64.42 2qpy s PRO 723 Cb -0.57 -3.79 0.00 0.00 0.04 0.00 0.00 34.50 30.18 2qpy s PRO 723 CO 0.36 -0.88 0.00 0.41 0.04 0.00 0.00 177.00 176.92 2qpy n GLY 724 N 4.34 3.20 0.35 0.56 0.00 -1.26 -4.89 105.19 107.49 2qpy n GLY 724 Ca 0.18 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.25 2qpy n GLY 724 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2qpy h PHE 725 N 0.00 0.81 -0.17 1.61 3.57 -1.66 -2.10 116.94 119.00 2qpy h PHE 725 Ca 0.00 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.45 2qpy h PHE 725 Cb 0.00 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 38.46 2qpy h PHE 725 CO 0.00 0.46 -0.21 -0.09 -2.23 0.00 0.00 178.31 176.24 2qpy h ARG 726 N 0.83 0.29 -0.97 1.11 9.65 -1.79 -2.48 114.38 121.02 2qpy h ARG 726 Ca 0.29 -0.09 -0.04 0.00 -1.10 0.00 0.00 59.98 59.05 2qpy h ARG 726 Cb 0.12 -0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 28.65 2qpy h ARG 726 CO -0.09 0.50 0.05 0.09 2.80 0.00 0.00 179.97 183.31 2qpy n ASN 727 N -4.19 2.41 -4.61 -3.80 4.13 -0.79 -4.79 115.26 103.63 2qpy n ASN 727 Ca -0.01 -2.18 -0.34 0.00 1.68 0.00 0.00 54.58 53.74 2qpy n ASN 727 Cb 0.34 -0.54 -0.11 0.00 -1.54 0.00 0.00 39.78 37.94 2qpy n ASN 727 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 2qpy s LEU 728 N -0.42 3.26 -0.08 3.41 0.20 -0.93 -5.01 118.68 119.10 2qpy s LEU 728 Ca 0.08 -0.02 -0.37 0.00 0.69 0.00 0.00 54.13 54.51 2qpy s LEU 728 Cb 0.06 -1.76 -0.15 0.00 -0.43 0.00 0.00 46.19 43.92 2qpy s LEU 728 CO 0.02 0.34 1.65 1.57 -0.29 0.00 0.00 176.35 179.64 2qpy n HIS 729 N 2.01 2.01 -0.48 5.38 -0.00 -1.26 -4.70 115.22 118.18 2qpy n HIS 729 Ca -0.17 0.40 0.39 0.00 -0.00 0.00 0.00 57.72 58.34 2qpy n HIS 729 Cb 0.53 -2.49 0.68 0.00 -0.00 0.00 0.00 29.99 28.71 2qpy n HIS 729 CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 176.34 176.10 2qpy h VAL 730 N 4.56 0.12 -0.44 3.57 3.04 -1.95 0.68 116.25 125.83 2qpy h VAL 730 Ca -0.47 -0.02 -0.14 0.00 -1.01 0.00 0.00 66.70 65.06 2qpy h VAL 730 Cb 1.30 0.04 -0.01 0.00 -2.01 0.00 0.00 31.29 30.62 2qpy h VAL 730 CO 0.90 0.01 -0.25 0.44 -1.01 0.00 0.00 177.57 177.66 2qpy h ASP 731 N 0.07 0.99 0.55 3.17 3.32 -2.00 -2.86 116.42 119.66 2qpy h ASP 731 Ca 0.83 -0.42 -0.13 0.00 0.02 0.00 0.00 57.03 57.33 2qpy h ASP 731 Cb 2.74 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 42.00 2qpy h ASP 731 CO -0.34 1.19 -0.61 0.44 -1.72 0.00 0.00 179.24 178.20 2qpy h ASP 732 N 0.79 0.07 -0.18 6.45 3.32 -0.03 -2.00 116.42 124.83 2qpy h ASP 732 Ca 0.09 -0.04 0.01 0.00 0.02 0.00 0.00 57.03 57.11 2qpy h ASP 732 Cb 0.83 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.35 2qpy h ASP 732 CO 0.07 0.66 0.11 1.56 -1.72 0.00 0.00 179.24 179.92 2qpy h GLN 733 N 0.04 0.22 0.00 3.56 4.20 -1.05 0.13 115.11 122.22 2qpy h GLN 733 Ca -0.01 -0.01 -0.05 0.00 0.06 0.00 0.00 58.65 58.64 2qpy h GLN 733 Cb 1.09 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.81 2qpy h GLN 733 CO 0.08 0.15 -0.26 1.98 -0.67 0.00 0.00 178.83 180.11 2qpy h MET 734 N 0.23 0.00 0.31 1.46 4.05 -1.47 -2.93 114.93 116.58 2qpy h MET 734 Ca 0.07 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.48 2qpy h MET 734 Cb -0.01 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.79 2qpy h MET 734 CO -0.03 0.26 -0.15 0.00 0.23 0.00 0.00 176.91 177.22 2qpy h ALA 735 N 1.74 -0.42 -0.87 0.39 0.00 -0.67 -2.57 119.26 116.87 2qpy h ALA 735 Ca -0.00 -0.09 0.15 0.00 0.00 0.00 0.00 54.91 54.97 2qpy h ALA 735 Cb 0.88 0.16 -0.07 0.00 0.00 0.00 0.00 17.79 18.77 2qpy h ALA 735 CO 0.03 -0.39 0.56 -0.39 0.00 0.00 0.00 179.25 179.06 2qpy h VAL 736 N -1.07 0.80 -0.40 0.00 -1.51 -0.85 -0.30 116.25 112.92 2qpy h VAL 736 Ca -0.04 -0.20 -0.13 0.00 -1.23 0.00 0.00 66.70 65.09 2qpy h VAL 736 Cb 0.32 0.15 -0.01 0.00 -2.13 0.00 0.00 31.29 29.62 2qpy h VAL 736 CO 0.07 0.11 -0.28 0.40 -1.23 0.00 0.00 177.57 176.63 2qpy h ILE 737 N 0.60 1.27 0.00 7.19 2.04 -1.61 -2.02 117.51 124.98 2qpy h ILE 737 Ca 0.44 -1.43 0.00 0.00 1.00 0.00 0.00 64.86 64.86 2qpy h ILE 737 Cb 0.81 1.27 0.00 0.00 -0.74 0.00 0.00 36.82 38.16 2qpy h ILE 737 CO -0.19 0.48 0.00 0.00 0.00 0.00 0.00 178.15 178.44 2qpy n GLN 738 N -4.09 0.36 -0.03 2.37 6.02 -0.19 -2.25 117.38 119.57 2qpy n GLN 738 Ca -0.01 0.04 -0.01 0.00 -0.01 0.00 0.00 57.00 57.01 2qpy n GLN 738 Cb 0.48 -1.50 -0.08 0.00 1.02 0.00 0.00 30.24 30.16 2qpy n GLN 738 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 2qpy n TYR 739 N -1.29 0.00 0.51 1.08 4.01 -0.81 -4.68 117.16 115.97 2qpy n TYR 739 Ca 0.12 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.92 2qpy n TYR 739 Cb 0.21 -0.40 0.03 0.00 -0.31 0.00 0.00 39.34 38.87 2qpy n TYR 739 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 2qpy n SER 740 N -2.20 1.78 -0.23 7.72 3.41 -0.78 -4.60 113.62 118.73 2qpy n SER 740 Ca -0.11 -1.39 0.16 0.00 -0.26 0.00 0.00 58.87 57.27 2qpy n SER 740 Cb 0.64 0.15 0.47 0.00 -0.26 0.00 0.00 64.21 65.21 2qpy n SER 740 CO 0.00 0.00 0.00 4.11 -0.16 0.00 0.00 175.04 178.99 2qpy h TRP 741 N 2.02 0.62 0.29 7.33 5.08 -1.67 -0.37 115.95 129.25 2qpy h TRP 741 Ca 0.00 0.02 -0.01 0.00 1.08 0.00 0.00 58.89 59.97 2qpy h TRP 741 Cb 0.47 -0.19 0.00 0.00 -3.00 0.00 0.00 29.16 26.44 2qpy h TRP 741 CO 0.00 0.20 -0.14 1.98 -1.28 0.00 0.00 178.44 179.20 2qpy h MET 742 N 0.50 -0.38 -0.60 0.12 4.05 -1.87 -2.15 114.93 114.61 2qpy h MET 742 Ca 0.44 0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.89 2qpy h MET 742 Cb 0.95 0.09 -0.03 0.00 -0.80 0.00 0.00 31.60 31.81 2qpy h MET 742 CO -0.18 -0.05 0.37 0.78 0.23 0.00 0.00 176.91 178.07 2qpy h GLY 743 N -0.77 0.85 0.82 1.39 0.00 -1.69 -1.90 103.07 101.78 2qpy h GLY 743 Ca -0.04 -0.33 -0.03 0.00 0.00 0.00 0.00 47.33 46.93 2qpy h GLY 743 CO 0.07 0.32 0.02 1.41 0.00 0.00 0.00 176.54 178.36 2qpy h LEU 744 N 0.81 0.32 -0.76 3.11 3.38 -1.09 -1.99 115.31 119.09 2qpy h LEU 744 Ca 0.22 -0.28 -0.06 0.00 0.09 0.00 0.00 57.88 57.84 2qpy h LEU 744 Cb -0.06 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 2qpy h LEU 744 CO -0.04 0.52 0.20 0.24 0.09 0.00 0.00 178.44 179.45 2qpy h MET 745 N 0.11 1.14 -0.10 1.13 2.86 -1.11 -1.85 114.93 117.10 2qpy h MET 745 Ca 0.06 -0.26 -0.01 0.00 -2.06 0.00 0.00 59.70 57.42 2qpy h MET 745 Cb 0.35 -0.16 -0.00 0.00 0.06 0.00 0.00 31.60 31.85 2qpy h MET 745 CO 0.01 0.98 0.01 0.28 1.06 0.00 0.00 176.91 179.25 2qpy h VAL 746 N 1.08 1.24 -0.74 -2.22 2.07 -1.35 -0.19 116.25 116.15 2qpy h VAL 746 Ca 0.23 -0.76 0.07 0.00 0.82 0.00 0.00 66.70 67.07 2qpy h VAL 746 Cb 0.34 1.54 -0.06 0.00 -1.52 0.00 0.00 31.29 31.59 2qpy h VAL 746 CO -0.00 0.22 0.42 0.15 0.02 0.00 0.00 177.57 178.37 2qpy h PHE 747 N -0.08 0.76 -0.39 1.57 3.57 -1.27 0.91 116.94 122.01 2qpy h PHE 747 Ca 0.03 0.03 -0.14 0.00 3.53 0.00 0.00 57.97 61.42 2qpy h PHE 747 Cb 0.33 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.83 2qpy h PHE 747 CO 0.03 0.34 -0.31 0.00 -2.23 0.00 0.00 178.31 176.14 2qpy h ALA 748 N 1.40 0.72 -0.30 2.41 0.00 -1.24 -2.23 119.26 120.02 2qpy h ALA 748 Ca 0.34 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 2qpy h ALA 748 Cb 0.26 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2qpy h ALA 748 CO -0.21 0.66 0.16 1.98 0.00 0.00 0.00 179.25 181.84 2qpy h MET 749 N 0.72 0.42 -0.79 0.00 1.85 -0.05 -0.36 114.93 116.72 2qpy h MET 749 Ca 0.08 -0.05 0.02 0.00 -0.61 0.00 0.00 59.70 59.14 2qpy h MET 749 Cb 0.87 -0.08 -0.04 0.00 0.43 0.00 0.00 31.60 32.77 2qpy h MET 749 CO 0.08 0.36 0.52 0.78 -0.40 0.00 0.00 176.91 178.25 2qpy h GLY 750 N 0.36 1.14 0.99 1.39 0.00 -0.78 0.16 103.07 106.33 2qpy h GLY 750 Ca 0.10 -0.40 -0.01 0.00 0.00 0.00 0.00 47.33 47.03 2qpy h GLY 750 CO -0.02 0.36 0.34 -0.25 0.00 0.00 0.00 176.54 176.98 2qpy h TRP 751 N 1.03 0.81 -0.62 5.60 2.91 -0.94 -0.47 115.95 124.27 2qpy h TRP 751 Ca 0.31 -0.01 -0.08 0.00 1.13 0.00 0.00 58.89 60.24 2qpy h TRP 751 Cb -0.05 -0.26 -0.02 0.00 -0.51 0.00 0.00 29.16 28.31 2qpy h TRP 751 CO -0.02 0.57 0.08 0.00 -1.03 0.00 0.00 178.44 178.04 2qpy h ARG 752 N 0.81 1.04 0.00 2.65 3.08 -0.43 -2.21 114.38 119.31 2qpy h ARG 752 Ca 0.21 -0.29 -0.03 0.00 0.07 0.00 0.00 59.98 59.94 2qpy h ARG 752 Cb 0.02 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 29.94 2qpy h ARG 752 CO -0.04 0.98 -0.16 0.77 -1.07 0.00 0.00 179.97 180.44 2qpy h SER 753 N 0.94 0.00 0.12 7.04 0.02 -0.19 0.10 113.55 121.58 2qpy h SER 753 Ca 0.19 0.00 -0.28 0.00 -0.84 0.00 0.00 61.79 60.85 2qpy h SER 753 Cb 0.45 0.00 0.02 0.00 0.14 0.00 0.00 62.40 63.02 2qpy h SER 753 CO 0.02 0.16 -1.16 0.15 -1.14 0.00 0.00 176.83 174.86 2qpy h PHE 754 N 0.00 0.99 -0.01 3.45 3.57 -0.66 0.49 116.94 124.77 2qpy h PHE 754 Ca -0.00 -0.59 0.00 0.00 3.53 0.00 0.00 57.97 60.91 2qpy h PHE 754 Cb 0.30 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 38.95 2qpy h PHE 754 CO 0.00 1.43 -0.46 0.25 -2.23 0.00 0.00 178.31 177.30 2qpy n THR 755 N -3.80 0.00 -0.11 4.41 -2.24 -0.87 -2.99 114.28 108.68 2qpy n THR 755 Ca -0.12 -0.11 -0.22 0.00 -2.27 0.00 0.00 64.05 61.33 2qpy n THR 755 Cb 0.95 0.65 -0.07 0.00 -2.10 0.00 0.00 70.33 69.75 2qpy n THR 755 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2qpy n ASN 756 N -0.80 1.61 -0.18 3.42 4.13 0.34 -4.74 115.26 119.03 2qpy n ASN 756 Ca 0.09 0.28 0.07 0.00 1.68 0.00 0.00 54.58 56.70 2qpy n ASN 756 Cb 0.37 -0.66 0.12 0.00 -1.54 0.00 0.00 39.78 38.07 2qpy n ASN 756 CO 0.00 0.00 0.00 1.33 0.28 0.00 0.00 177.26 178.87 2qpy n VAL 757 N -4.04 1.67 -3.67 2.41 0.24 -1.05 -4.97 118.33 108.91 2qpy n VAL 757 Ca -0.40 -1.84 -0.25 0.00 -2.04 0.00 0.00 64.34 59.81 2qpy n VAL 757 Cb 0.76 -0.02 0.07 0.00 -1.47 0.00 0.00 33.84 33.18 2qpy n VAL 757 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 2qpy n ASN 758 N -0.99 -5.93 -0.11 -1.34 4.05 -1.08 -0.95 115.26 108.90 2qpy n ASN 758 Ca 0.12 -0.60 -0.01 0.00 0.45 0.00 0.00 54.58 54.54 2qpy n ASN 758 Cb 0.56 -4.77 -0.01 0.00 1.23 0.00 0.00 39.78 36.79 2qpy n ASN 758 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 177.26 173.01 2qpy n SER 759 N -2.98 -5.59 0.33 1.20 7.64 0.17 -4.86 113.62 109.53 2qpy n SER 759 Ca 0.01 0.04 -0.17 0.00 1.01 0.00 0.00 58.87 59.76 2qpy n SER 759 Cb 0.55 -3.22 -0.09 0.00 -1.01 0.00 0.00 64.21 60.45 2qpy n SER 759 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 2qpy h ARG 760 N 0.11 -0.77 -5.08 1.43 9.65 -1.24 -3.46 114.38 115.02 2qpy h ARG 760 Ca -0.03 0.05 -0.66 0.00 -1.10 0.00 0.00 59.98 58.25 2qpy h ARG 760 Cb 0.90 0.18 -0.13 0.00 -1.39 0.00 0.00 29.97 29.53 2qpy h ARG 760 CO 0.04 -0.49 -0.50 -1.64 2.80 0.00 0.00 179.97 180.19 2qpy s MET 761 N -5.77 2.16 -0.35 0.20 -1.94 -1.26 -4.99 119.30 107.36 2qpy s MET 761 Ca -0.17 -2.39 -0.16 0.00 -1.71 0.00 0.00 55.69 51.26 2qpy s MET 761 Cb 0.03 -1.20 -0.01 0.00 2.01 0.00 0.00 34.83 35.67 2qpy s MET 761 CO 0.60 -0.46 0.42 -0.51 -0.01 0.00 0.00 175.02 175.06 2qpy s LEU 762 N -3.82 4.42 -1.20 -0.03 1.43 -0.83 -4.80 118.68 113.85 2qpy s LEU 762 Ca 0.07 -0.17 -0.10 0.00 -1.03 0.00 0.00 54.13 52.90 2qpy s LEU 762 Cb 0.00 -2.44 0.21 0.00 0.03 0.00 0.00 46.19 44.00 2qpy s LEU 762 CO 0.05 -0.40 1.53 0.00 0.23 0.00 0.00 176.35 177.76 2qpy n TYR 763 N 5.53 4.02 -0.22 0.29 4.19 -1.26 -0.48 117.16 129.22 2qpy n TYR 763 Ca -0.07 -3.17 -0.07 0.00 3.31 0.00 0.00 57.90 57.89 2qpy n TYR 763 Cb 0.49 -1.90 0.03 0.00 0.49 0.00 0.00 39.34 38.45 2qpy n TYR 763 CO 0.00 0.00 0.00 0.74 0.91 0.00 0.00 176.86 178.51 2qpy h PHE 764 N 6.38 0.97 -2.76 2.98 0.04 -1.86 -3.41 116.94 119.28 2qpy h PHE 764 Ca 0.30 -0.08 -0.00 0.00 2.80 0.00 0.00 57.97 60.99 2qpy h PHE 764 Cb 0.76 -0.29 -0.13 0.00 2.20 0.00 0.00 35.95 38.49 2qpy h PHE 764 CO 1.08 0.78 0.26 0.00 -0.60 0.00 0.00 178.31 179.82 2qpy s ALA 765 N -5.49 -1.66 0.44 2.45 0.00 -1.13 -4.97 121.76 111.40 2qpy s ALA 765 Ca -0.13 0.67 0.20 0.00 0.00 0.00 0.00 51.96 52.71 2qpy s ALA 765 Cb 0.13 0.70 1.16 0.00 0.00 0.00 0.00 23.12 25.11 2qpy s ALA 765 CO 0.81 -0.71 1.85 -1.35 0.00 0.00 0.00 175.76 176.36 2qpy h PRO 766 N 2.11 0.32 -0.39 0.00 0.11 -1.90 0.13 132.00 132.38 2qpy h PRO 766 Ca -0.31 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.78 2qpy h PRO 766 Cb 1.28 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2qpy h PRO 766 CO 0.37 0.21 0.00 -0.40 -0.21 0.00 0.00 178.00 177.97 2qpy n ASP 767 N -4.48 4.29 -3.04 -2.05 5.75 -1.26 -4.64 116.55 111.11 2qpy n ASP 767 Ca 0.20 -2.79 -0.17 0.00 -0.01 0.00 0.00 54.79 52.02 2qpy n ASP 767 Cb 0.76 -0.54 -0.01 0.00 -1.03 0.00 0.00 41.12 40.30 2qpy n ASP 767 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 2qpy n LEU 768 N 0.09 -0.60 -4.65 -2.12 7.94 0.43 -4.43 117.00 113.67 2qpy n LEU 768 Ca 0.22 -4.37 -0.39 0.00 -1.11 0.00 0.00 56.01 50.36 2qpy n LEU 768 Cb 0.90 0.74 -0.07 0.00 0.53 0.00 0.00 43.42 45.52 2qpy n LEU 768 CO 0.19 2.12 0.18 -0.69 -1.11 0.00 0.00 177.39 178.08 2qpy s VAL 769 N -0.96 5.13 -0.21 1.96 1.01 -1.22 -2.85 120.40 123.25 2qpy s VAL 769 Ca 0.34 0.82 -0.19 0.00 0.00 0.00 0.00 61.98 62.94 2qpy s VAL 769 Cb 0.25 -3.79 -0.03 0.00 0.00 0.00 0.00 36.38 32.81 2qpy s VAL 769 CO -0.12 0.17 0.56 -0.36 0.00 0.00 0.00 175.10 175.36 2qpy s PHE 770 N 1.77 3.35 0.43 5.22 0.40 0.37 -4.97 117.98 124.54 2qpy s PHE 770 Ca 0.21 0.81 0.08 0.00 -0.60 0.00 0.00 56.93 57.42 2qpy s PHE 770 Cb -0.15 -2.73 -0.02 0.00 0.51 0.00 0.00 43.02 40.62 2qpy s PHE 770 CO 0.09 -0.17 0.36 0.54 0.70 0.00 0.00 175.22 176.74 2qpy s ASN 771 N 1.25 4.95 0.29 1.36 2.20 -1.26 -1.96 114.94 121.77 2qpy s ASN 771 Ca 0.25 -0.82 0.01 0.00 -0.94 0.00 0.00 52.86 51.36 2qpy s ASN 771 Cb -0.16 -0.49 0.70 0.00 -2.00 0.00 0.00 41.25 39.30 2qpy s ASN 771 CO 0.10 -0.68 1.60 -0.33 -2.94 0.00 0.00 177.10 174.85 2qpy h GLU 772 N 1.05 0.07 -0.03 3.55 4.39 -1.97 0.07 114.58 121.70 2qpy h GLU 772 Ca -0.41 -0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.28 2qpy h GLU 772 Cb 1.27 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.90 2qpy h GLU 772 CO 0.59 0.05 0.02 -0.92 -1.16 0.00 0.00 179.01 177.58 2qpy h TYR 773 N 0.07 0.04 0.00 4.33 3.20 -2.01 -2.78 116.97 119.83 2qpy h TYR 773 Ca 0.56 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.40 2qpy h TYR 773 Cb 1.13 -0.01 -0.00 0.00 1.54 0.00 0.00 36.73 39.38 2qpy h TYR 773 CO -0.42 0.10 -0.14 0.00 -1.64 0.00 0.00 178.16 176.06 2qpy h ARG 774 N -0.03 0.00 -0.35 1.82 3.08 -1.41 -1.30 114.38 116.19 2qpy h ARG 774 Ca 0.01 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.96 2qpy h ARG 774 Cb 0.07 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.11 2qpy h ARG 774 CO -0.00 0.14 -0.19 0.52 -1.07 0.00 0.00 179.97 179.37 2qpy h MET 775 N 0.00 0.65 0.16 0.04 2.86 -0.95 -0.75 114.93 116.94 2qpy h MET 775 Ca -0.00 -0.23 -0.31 0.00 -2.06 0.00 0.00 59.70 57.09 2qpy h MET 775 Cb 0.33 -0.05 0.03 0.00 0.06 0.00 0.00 31.60 31.98 2qpy h MET 775 CO 0.02 0.80 -1.32 1.25 1.06 0.00 0.00 176.91 178.72 2qpy h HIS 776 N 0.58 1.01 0.00 -0.22 -0.00 -1.30 -2.50 115.15 112.73 2qpy h HIS 776 Ca 0.09 -0.66 -0.02 0.00 -0.00 0.00 0.00 60.37 59.78 2qpy h HIS 776 Cb 0.64 -0.07 -0.00 0.00 -0.00 0.00 0.00 27.41 27.98 2qpy h HIS 776 CO 0.03 1.50 -0.08 -0.22 -0.00 0.00 0.00 177.93 179.16 2qpy h LYS 777 N 0.24 0.00 -0.00 5.26 1.63 -1.10 -1.54 116.57 121.06 2qpy h LYS 777 Ca -0.21 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.59 2qpy h LYS 777 Cb 1.99 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.62 2qpy h LYS 777 CO 0.25 0.08 -0.07 -1.13 -3.45 0.00 0.00 179.45 175.14 2qpy n SER 778 N -3.37 0.34 -2.23 4.20 3.41 -0.30 -3.82 113.62 111.85 2qpy n SER 778 Ca -0.01 -0.56 -0.21 0.00 -0.26 0.00 0.00 58.87 57.83 2qpy n SER 778 Cb 0.26 -0.11 -0.03 0.00 -0.26 0.00 0.00 64.21 64.07 2qpy n SER 778 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2qpy n ARG 779 N -1.00 -1.65 -2.72 4.33 1.74 -0.58 -4.84 116.66 111.95 2qpy n ARG 779 Ca 0.16 1.05 -0.05 0.00 -0.77 0.00 0.00 57.85 58.23 2qpy n ARG 779 Cb 0.25 -5.65 0.07 0.00 -1.02 0.00 0.00 32.46 26.11 2qpy n ARG 779 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2qpy n MET 780 N -2.87 1.34 -0.11 5.56 0.00 -1.22 -4.95 117.12 114.86 2qpy n MET 780 Ca -0.24 -2.67 -0.09 0.00 0.00 0.00 0.00 57.70 54.71 2qpy n MET 780 Cb 0.68 -0.79 -0.01 0.00 0.00 0.00 0.00 33.22 33.10 2qpy n MET 780 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 175.97 175.05 2qpy h TYR 781 N 2.36 0.49 -0.83 3.17 5.03 -1.75 -1.88 116.97 123.57 2qpy h TYR 781 Ca -0.21 -0.02 0.06 0.00 2.58 0.00 0.00 58.73 61.14 2qpy h TYR 781 Cb 1.25 -0.15 -0.06 0.00 1.55 0.00 0.00 36.73 39.31 2qpy h TYR 781 CO 0.33 0.42 0.51 0.66 -1.32 0.00 0.00 178.16 178.75 2qpy h SER 782 N 0.43 0.79 -0.30 -2.11 4.64 -1.92 -0.24 113.55 114.83 2qpy h SER 782 Ca 0.12 0.02 -0.05 0.00 -0.47 0.00 0.00 61.79 61.41 2qpy h SER 782 Cb 0.11 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.04 2qpy h SER 782 CO -0.02 0.51 -0.01 1.56 -0.87 0.00 0.00 176.83 178.00 2qpy h GLN 783 N 0.92 0.54 -0.27 4.77 7.50 -1.91 -2.65 115.11 124.01 2qpy h GLN 783 Ca 0.36 -0.18 -0.00 0.00 0.50 0.00 0.00 58.65 59.33 2qpy h GLN 783 Cb 0.17 -0.05 -0.01 0.00 0.05 0.00 0.00 27.48 27.64 2qpy h GLN 783 CO -0.17 0.70 0.16 0.00 -1.50 0.00 0.00 178.83 178.02 2qpy h VAL 785 N 0.36 1.25 -0.28 0.00 2.07 -0.73 -1.17 116.25 117.75 2qpy h VAL 785 Ca 0.10 -0.97 -0.12 0.00 0.82 0.00 0.00 66.70 66.53 2qpy h VAL 785 Cb -0.02 0.71 -0.00 0.00 -1.52 0.00 0.00 31.29 30.46 2qpy h VAL 785 CO -0.02 0.36 -0.28 0.03 0.02 0.00 0.00 177.57 177.68 2qpy h ARG 786 N 0.89 0.69 -0.33 1.57 3.08 -0.92 -2.57 114.38 116.78 2qpy h ARG 786 Ca 0.18 -0.36 -0.05 0.00 0.07 0.00 0.00 59.98 59.82 2qpy h ARG 786 Cb 0.40 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.45 2qpy h ARG 786 CO 0.01 0.98 -0.01 0.52 -1.07 0.00 0.00 179.97 180.40 2qpy h MET 787 N 0.43 0.52 -0.52 0.04 2.86 -1.17 -2.16 114.93 114.92 2qpy h MET 787 Ca 0.04 -0.11 -0.09 0.00 -2.06 0.00 0.00 59.70 57.49 2qpy h MET 787 Cb 0.85 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.41 2qpy h MET 787 CO 0.07 0.55 -0.03 -0.09 1.06 0.00 0.00 176.91 178.47 2qpy h ARG 788 N 0.49 0.91 -0.68 1.72 2.43 -1.09 -1.96 114.38 116.20 2qpy h ARG 788 Ca 0.11 -0.28 -0.01 0.00 -0.81 0.00 0.00 59.98 58.99 2qpy h ARG 788 Cb 0.33 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.76 2qpy h ARG 788 CO 0.01 0.92 0.41 0.45 -1.51 0.00 0.00 179.97 180.25 2qpy h HIS 789 N 0.83 0.91 -0.86 2.20 3.86 -1.00 -0.95 115.15 120.14 2qpy h HIS 789 Ca 0.15 -0.01 0.08 0.00 -1.16 0.00 0.00 60.37 59.43 2qpy h HIS 789 Cb 0.54 -0.30 -0.07 0.00 1.06 0.00 0.00 27.41 28.64 2qpy h HIS 789 CO 0.03 0.62 0.52 1.25 0.86 0.00 0.00 177.93 181.21 2qpy h LEU 790 N 0.93 0.79 0.04 2.43 5.85 -0.91 0.13 115.31 124.56 2qpy h LEU 790 Ca 0.24 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.99 2qpy h LEU 790 Cb -0.02 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 40.88 2qpy h LEU 790 CO -0.04 0.48 -0.02 0.28 -0.34 0.00 0.00 178.44 178.80 2qpy h SER 791 N 0.91 -0.04 -0.31 1.25 0.02 -0.60 -2.38 113.55 112.40 2qpy h SER 791 Ca 0.39 -0.09 0.03 0.00 -0.84 0.00 0.00 61.79 61.28 2qpy h SER 791 Cb 0.26 0.01 -0.02 0.00 0.14 0.00 0.00 62.40 62.80 2qpy h SER 791 CO -0.21 0.06 0.21 1.56 -1.14 0.00 0.00 176.83 177.32 2qpy h GLN 792 N -0.15 0.30 -0.99 3.45 4.20 -0.46 -1.11 115.11 120.36 2qpy h GLN 792 Ca -0.01 -0.02 0.05 0.00 0.06 0.00 0.00 58.65 58.74 2qpy h GLN 792 Cb 0.13 -0.07 -0.06 0.00 0.30 0.00 0.00 27.48 27.78 2qpy h GLN 792 CO 0.01 0.20 0.64 0.93 -0.67 0.00 0.00 178.83 179.93 2qpy h GLU 793 N 0.31 1.16 -0.57 1.46 4.39 -0.23 -0.61 114.58 120.49 2qpy h GLU 793 Ca 0.13 -0.07 0.09 0.00 0.34 0.00 0.00 59.36 59.84 2qpy h GLU 793 Cb 0.13 -0.26 -0.03 0.00 -0.10 0.00 0.00 28.75 28.48 2qpy h GLU 793 CO -0.03 0.77 0.38 0.74 -1.16 0.00 0.00 179.01 179.71 2qpy h PHE 794 N 1.20 0.44 0.00 4.33 0.04 -1.03 -1.18 116.94 120.75 2qpy h PHE 794 Ca 0.41 0.01 -0.00 0.00 2.80 0.00 0.00 57.97 61.19 2qpy h PHE 794 Cb 0.09 -0.14 0.00 0.00 2.20 0.00 0.00 35.95 38.10 2qpy h PHE 794 CO -0.00 0.22 -0.02 0.78 -0.60 0.00 0.00 178.31 178.68 2qpy h GLY 795 N 0.42 0.01 0.58 -1.45 0.00 -1.19 -1.36 103.07 100.07 2qpy h GLY 795 Ca 0.26 -0.02 0.10 0.00 0.00 0.00 0.00 47.33 47.66 2qpy h GLY 795 CO -0.07 0.02 0.64 1.49 0.00 0.00 0.00 176.54 178.62 2qpy h TRP 796 N -0.98 1.17 -0.09 5.60 6.55 -0.98 -0.28 115.95 126.93 2qpy h TRP 796 Ca -0.00 0.03 0.00 0.00 0.95 0.00 0.00 58.89 59.87 2qpy h TRP 796 Cb 1.01 -0.38 0.00 0.00 -0.86 0.00 0.00 29.16 28.94 2qpy h TRP 796 CO 0.28 0.52 0.00 1.28 -1.05 0.00 0.00 178.44 179.47 2qpy n LEU 797 N -4.57 1.45 -4.08 -4.49 4.77 -0.47 -4.94 117.00 104.68 2qpy n LEU 797 Ca 0.18 -0.56 -0.30 0.00 -0.03 0.00 0.00 56.01 55.30 2qpy n LEU 797 Cb 0.29 -0.05 -0.03 0.00 -2.33 0.00 0.00 43.42 41.30 2qpy n LEU 797 CO 0.29 0.28 -0.16 0.00 -1.33 0.00 0.00 177.39 176.47 2qpy n GLN 798 N 0.16 -3.15 -1.83 3.23 6.02 -0.12 -4.86 117.38 116.84 2qpy n GLN 798 Ca 0.18 0.38 -0.41 0.00 -0.01 0.00 0.00 57.00 57.13 2qpy n GLN 798 Cb 0.32 -4.71 -0.02 0.00 1.02 0.00 0.00 30.24 26.85 2qpy n GLN 798 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2qpy s ILE 799 N -3.72 2.20 0.24 5.09 -1.09 -0.53 -5.00 121.20 118.38 2qpy s ILE 799 Ca 0.30 0.16 -0.02 0.00 -2.23 0.00 0.00 60.65 58.86 2qpy s ILE 799 Cb -0.16 -3.10 -0.05 0.00 -1.58 0.00 0.00 42.46 37.56 2qpy s ILE 799 CO 0.91 0.03 0.46 0.42 -1.23 0.00 0.00 174.94 175.52 2qpy s THR 800 N 0.04 5.13 0.48 2.92 -4.23 -1.26 -4.93 115.64 113.79 2qpy s THR 800 Ca 0.63 -0.20 0.25 0.00 -1.18 0.00 0.00 61.69 61.19 2qpy s THR 800 Cb -0.47 -3.73 0.44 0.00 1.34 0.00 0.00 72.50 70.08 2qpy s THR 800 CO 0.46 -0.23 1.85 -0.65 -0.54 0.00 0.00 174.62 175.51 2qpy h PRO 801 N 1.87 0.19 -0.11 3.99 0.11 -1.99 0.88 132.00 136.94 2qpy h PRO 801 Ca -0.48 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 65.52 2qpy h PRO 801 Cb 1.19 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2qpy h PRO 801 CO 0.67 0.13 -0.34 1.96 -0.21 0.00 0.00 178.00 180.21 2qpy h GLN 802 N 0.20 0.43 -0.76 1.05 7.50 -1.99 -1.58 115.11 119.96 2qpy h GLN 802 Ca 0.48 -0.31 -0.05 0.00 0.50 0.00 0.00 58.65 59.27 2qpy h GLN 802 Cb 1.56 0.05 -0.03 0.00 0.05 0.00 0.00 27.48 29.11 2qpy h GLN 802 CO -0.11 0.93 0.28 0.93 -1.50 0.00 0.00 178.83 179.36 2qpy h GLU 803 N 0.01 1.14 0.37 1.46 5.08 -1.42 -2.71 114.58 118.51 2qpy h GLU 803 Ca -0.01 -0.22 -0.02 0.00 -1.00 0.00 0.00 59.36 58.11 2qpy h GLU 803 Cb 0.96 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.03 2qpy h GLU 803 CO 0.07 0.94 -0.18 0.35 -1.00 0.00 0.00 179.01 179.20 2qpy h PHE 804 N 1.11 -0.46 -0.67 4.33 3.57 -0.89 -2.01 116.94 121.91 2qpy h PHE 804 Ca 0.25 -0.01 0.14 0.00 3.53 0.00 0.00 57.97 61.88 2qpy h PHE 804 Cb 0.25 0.15 -0.11 0.00 2.79 0.00 0.00 35.95 39.03 2qpy h PHE 804 CO 0.02 -0.22 0.07 -0.07 -2.23 0.00 0.00 178.31 175.89 2qpy h LEU 805 N -0.62 -0.16 -0.03 0.59 3.38 -1.17 -0.97 115.31 116.33 2qpy h LEU 805 Ca -0.05 0.15 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 2qpy h LEU 805 Cb 0.45 0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.44 2qpy h LEU 805 CO 0.08 -0.09 -0.01 0.00 0.09 0.00 0.00 178.44 178.51 2qpy h MET 807 N -0.32 0.49 -0.86 0.00 2.86 -0.87 0.20 114.93 116.43 2qpy h MET 807 Ca 0.01 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.62 2qpy h MET 807 Cb 0.43 -0.11 -0.04 0.00 0.06 0.00 0.00 31.60 31.94 2qpy h MET 807 CO 0.00 0.32 0.53 -0.22 1.06 0.00 0.00 176.91 178.61 2qpy h LYS 808 N 0.50 1.16 -0.42 1.72 3.64 -1.18 -1.36 116.57 120.62 2qpy h LYS 808 Ca 0.38 -0.10 -0.10 0.00 -1.27 0.00 0.00 60.65 59.56 2qpy h LYS 808 Cb 0.49 -0.25 -0.02 0.00 -0.41 0.00 0.00 32.23 32.05 2qpy h LYS 808 CO -0.34 0.80 -0.15 0.00 -2.27 0.00 0.00 179.45 177.50 2qpy h ALA 809 N 1.40 0.94 0.00 5.00 0.00 -0.76 -2.35 119.26 123.50 2qpy h ALA 809 Ca 0.31 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 2qpy h ALA 809 Cb -0.07 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 2qpy h ALA 809 CO -0.06 0.62 -0.20 1.25 0.00 0.00 0.00 179.25 180.85 2qpy h LEU 810 N 0.71 0.00 -1.53 0.00 5.85 -0.25 -2.41 115.31 117.67 2qpy h LEU 810 Ca 0.11 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.78 2qpy h LEU 810 Cb 0.64 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.67 2qpy h LEU 810 CO 0.04 0.20 -0.23 -0.07 -0.34 0.00 0.00 178.44 178.05 2qpy h LEU 811 N 0.00 0.00 -1.30 2.25 3.38 -0.71 -2.70 115.31 116.23 2qpy h LEU 811 Ca -0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 2qpy h LEU 811 Cb 0.59 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 2qpy h LEU 811 CO 0.03 0.23 0.09 0.25 0.09 0.00 0.00 178.44 179.13 2qpy h LEU 812 N 0.00 0.52 -4.05 1.67 5.85 -1.44 -2.64 115.31 115.22 2qpy h LEU 812 Ca -0.00 -0.07 -0.64 0.00 0.84 0.00 0.00 57.88 58.00 2qpy h LEU 812 Cb 0.52 -0.13 -0.34 0.00 0.37 0.00 0.00 40.66 41.07 2qpy h LEU 812 CO 0.03 0.53 0.26 0.49 -0.34 0.00 0.00 178.44 179.41 2qpy n PHE 813 N -4.33 3.07 -0.34 1.25 3.72 -1.02 -4.58 117.46 115.23 2qpy n PHE 813 Ca 0.02 -2.71 0.04 0.00 -0.05 0.00 0.00 57.45 54.75 2qpy n PHE 813 Cb 0.19 -1.00 0.10 0.00 -0.94 0.00 0.00 39.48 37.83 2qpy n PHE 813 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2qpy n SER 814 N -0.79 2.54 -3.48 4.37 7.64 -0.99 -4.96 113.62 117.94 2qpy n SER 814 Ca 0.55 -2.30 -0.01 0.00 1.01 0.00 0.00 58.87 58.11 2qpy n SER 814 Cb 0.72 -0.20 -0.04 0.00 -1.01 0.00 0.00 64.21 63.67 2qpy n SER 814 CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 2qpy s ILE 815 N -1.52 -0.91 0.08 0.44 2.07 -1.26 -0.56 121.20 119.53 2qpy s ILE 815 Ca 0.17 0.02 -0.02 0.00 -1.41 0.00 0.00 60.65 59.40 2qpy s ILE 815 Cb 0.12 -0.93 -0.03 0.00 0.13 0.00 0.00 42.46 41.75 2qpy s ILE 815 CO 0.06 0.00 0.04 0.27 -1.91 0.00 0.00 174.94 173.40 2qpy s ILE 816 N 2.81 0.17 0.66 2.00 -4.36 -1.22 -4.78 121.20 116.49 2qpy s ILE 816 Ca 0.04 -1.73 -0.17 0.00 -0.26 0.00 0.00 60.65 58.53 2qpy s ILE 816 Cb -0.13 -1.66 -0.00 0.00 1.25 0.00 0.00 42.46 41.92 2qpy s ILE 816 CO -0.18 -0.77 1.23 -2.16 0.24 0.00 0.00 174.94 173.30 2qpy s PRO 817 N -3.95 2.55 0.15 0.37 0.04 -1.26 -2.44 135.00 130.46 2qpy s PRO 817 Ca 0.12 1.85 -0.17 0.00 0.04 0.00 0.00 61.00 62.84 2qpy s PRO 817 Cb 0.07 -1.87 0.03 0.00 0.04 0.00 0.00 34.50 32.77 2qpy s PRO 817 CO -0.06 -1.54 1.76 0.28 0.04 0.00 0.00 177.00 177.48 2qpy h VAL 818 N 0.33 0.95 0.00 -0.36 2.07 -0.84 -2.26 116.25 116.14 2qpy h VAL 818 Ca -0.49 -0.11 -0.05 0.00 0.82 0.00 0.00 66.70 66.87 2qpy h VAL 818 Cb 1.31 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 31.68 2qpy h VAL 818 CO 0.53 0.06 -0.22 -2.24 0.02 0.00 0.00 177.57 175.72 2qpy h ASP 819 N 0.31 0.00 -5.00 0.57 2.03 -1.92 -3.49 116.42 108.92 2qpy h ASP 819 Ca 0.14 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.44 2qpy h ASP 819 Cb 0.08 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.58 2qpy h ASP 819 CO -0.12 0.22 0.00 0.61 -1.03 0.00 0.00 179.24 178.92 2qpy n GLY 820 N -0.77 1.50 3.97 7.15 0.00 -0.85 -5.09 105.19 111.10 2qpy n GLY 820 Ca -0.02 -2.24 -0.21 0.00 0.00 0.00 0.00 46.02 43.55 2qpy n GLY 820 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qpy s LEU 821 N 0.00 3.37 0.32 0.99 1.43 -1.26 -4.69 118.68 118.84 2qpy s LEU 821 Ca 0.00 0.00 0.05 0.00 -1.03 0.00 0.00 54.13 53.15 2qpy s LEU 821 Cb 0.00 -2.90 0.69 0.00 0.03 0.00 0.00 46.19 44.01 2qpy s LEU 821 CO 0.00 -1.03 1.85 0.50 0.23 0.00 0.00 176.35 177.90 2qpy h LYS 822 N 0.18 0.81 -2.06 1.70 1.63 -1.97 -3.16 116.57 113.71 2qpy h LYS 822 Ca -0.43 -0.05 -0.56 0.00 -0.85 0.00 0.00 60.65 58.76 2qpy h LYS 822 Cb 1.29 -0.18 -0.40 0.00 -0.60 0.00 0.00 32.23 32.33 2qpy h LYS 822 CO 0.52 0.54 -0.98 -1.71 -3.45 0.00 0.00 179.45 174.38 2qpy n ASN 823 N -4.60 1.30 0.06 4.20 4.05 -1.26 -4.94 115.26 114.08 2qpy n ASN 823 Ca 0.18 -2.95 0.17 0.00 0.45 0.00 0.00 54.58 52.43 2qpy n ASN 823 Cb 0.42 -0.64 0.67 0.00 1.23 0.00 0.00 39.78 41.46 2qpy n ASN 823 CO 0.00 0.00 0.00 1.56 -3.05 0.00 0.00 177.26 175.77 2qpy h GLN 824 N 3.87 0.01 0.00 1.20 1.08 -1.94 -2.85 115.11 116.49 2qpy h GLN 824 Ca 0.11 -0.00 0.03 0.00 -1.45 0.00 0.00 58.65 57.34 2qpy h GLN 824 Cb 0.82 -0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 28.19 2qpy h GLN 824 CO 0.57 0.01 -0.42 0.87 -0.95 0.00 0.00 178.83 178.91 2qpy h LYS 825 N 0.01 -0.55 -0.20 1.46 1.79 -1.92 -1.79 116.57 115.37 2qpy h LYS 825 Ca 0.19 0.04 -0.10 0.00 -2.18 0.00 0.00 60.65 58.60 2qpy h LYS 825 Cb 0.75 0.13 -0.01 0.00 -1.58 0.00 0.00 32.23 31.51 2qpy h LYS 825 CO -0.00 -0.37 -0.31 0.35 -1.08 0.00 0.00 179.45 178.04 2qpy h PHE 826 N -0.57 0.46 -0.15 -1.35 3.04 -1.90 -3.05 116.94 113.40 2qpy h PHE 826 Ca 0.05 -0.11 -0.00 0.00 3.98 0.00 0.00 57.97 61.89 2qpy h PHE 826 Cb 0.65 -0.11 -0.01 0.00 2.56 0.00 0.00 35.95 39.05 2qpy h PHE 826 CO -0.42 0.67 0.09 0.35 -2.02 0.00 0.00 178.31 176.98 2qpy h PHE 827 N 0.35 0.20 -0.50 0.41 3.04 -1.39 -1.41 116.94 117.63 2qpy h PHE 827 Ca 0.05 -0.00 -0.02 0.00 3.98 0.00 0.00 57.97 61.98 2qpy h PHE 827 Cb 0.72 -0.06 -0.02 0.00 2.56 0.00 0.00 35.95 39.14 2qpy h PHE 827 CO 0.02 0.17 0.24 -0.44 -2.02 0.00 0.00 178.31 176.28 2qpy h ASP 828 N 0.17 0.63 -0.25 0.41 3.32 -1.32 -0.31 116.42 119.07 2qpy h ASP 828 Ca 0.05 -0.06 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 2qpy h ASP 828 Cb 0.03 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.41 2qpy h ASP 828 CO -0.01 0.54 0.00 -0.08 -1.72 0.00 0.00 179.24 177.97 2qpy h GLU 829 N 0.70 0.44 0.01 3.56 4.22 -1.38 -1.00 114.58 121.13 2qpy h GLU 829 Ca 0.18 -0.14 -0.00 0.00 0.08 0.00 0.00 59.36 59.48 2qpy h GLU 829 Cb 0.08 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.29 2qpy h GLU 829 CO -0.02 0.61 -0.01 1.25 -2.18 0.00 0.00 179.01 178.66 2qpy h LEU 830 N 0.21 -0.01 -0.73 1.64 5.85 -0.87 -2.15 115.31 119.25 2qpy h LEU 830 Ca 0.07 -0.22 0.11 0.00 0.84 0.00 0.00 57.88 58.69 2qpy h LEU 830 Cb 0.41 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 41.36 2qpy h LEU 830 CO 0.01 0.21 0.34 -0.09 -0.34 0.00 0.00 178.44 178.57 2qpy h ARG 831 N -0.24 0.53 -0.99 1.25 2.43 -1.05 -0.14 114.38 116.17 2qpy h ARG 831 Ca -0.00 -0.03 0.05 0.00 -0.81 0.00 0.00 59.98 59.19 2qpy h ARG 831 Cb 0.23 -0.12 -0.06 0.00 -0.42 0.00 0.00 29.97 29.60 2qpy h ARG 831 CO 0.00 0.35 0.65 1.98 -1.51 0.00 0.00 179.97 181.44 2qpy h MET 832 N 0.54 1.18 -0.43 0.20 4.05 -0.98 -0.32 114.93 119.18 2qpy h MET 832 Ca 0.38 -0.07 -0.14 0.00 -0.28 0.00 0.00 59.70 59.58 2qpy h MET 832 Cb 0.47 -0.27 -0.01 0.00 -0.80 0.00 0.00 31.60 31.00 2qpy h MET 832 CO -0.32 0.78 -0.29 -0.91 0.23 0.00 0.00 176.91 176.39 2qpy h ASN 833 N 1.21 0.99 0.22 1.39 2.35 -0.40 -2.14 115.58 119.20 2qpy h ASN 833 Ca 0.41 -0.41 -0.13 0.00 -0.55 0.00 0.00 56.30 55.62 2qpy h ASN 833 Cb 0.08 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.17 2qpy h ASN 833 CO -0.15 1.21 -0.48 1.88 -1.65 0.00 0.00 177.43 178.24 2qpy h TYR 834 N 0.80 0.38 -0.01 1.19 -1.99 -0.78 0.08 116.97 116.64 2qpy h TYR 834 Ca 0.09 -0.12 -0.07 0.00 2.00 0.00 0.00 58.73 60.62 2qpy h TYR 834 Cb 0.88 -0.08 -0.01 0.00 2.00 0.00 0.00 36.73 39.52 2qpy h TYR 834 CO 0.06 0.74 -0.34 0.82 -0.00 0.00 0.00 178.16 179.43 2qpy h ILE 835 N 0.25 1.25 0.05 -2.88 2.04 -0.93 -1.64 117.51 115.65 2qpy h ILE 835 Ca 0.01 -1.20 -0.23 0.00 1.00 0.00 0.00 64.86 64.44 2qpy h ILE 835 Cb 0.95 1.63 -0.01 0.00 -0.74 0.00 0.00 36.82 38.65 2qpy h ILE 835 CO 0.08 0.35 -1.04 0.50 0.00 0.00 0.00 178.15 178.03 2qpy h LYS 836 N 0.02 0.21 -0.53 2.37 3.64 -0.88 -2.91 116.57 118.50 2qpy h LYS 836 Ca -0.00 -0.30 -0.07 0.00 -1.27 0.00 0.00 60.65 59.01 2qpy h LYS 836 Cb 0.62 0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.52 2qpy h LYS 836 CO 0.05 1.08 0.03 0.93 -2.27 0.00 0.00 179.45 179.26 2qpy h GLU 837 N 0.09 0.87 -0.65 1.90 4.39 -0.41 -0.50 114.58 120.26 2qpy h GLU 837 Ca -0.08 -0.23 -0.09 0.00 0.34 0.00 0.00 59.36 59.30 2qpy h GLU 837 Cb 1.74 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 30.26 2qpy h GLU 837 CO 0.16 0.85 0.07 1.25 -1.16 0.00 0.00 179.01 180.19 2qpy h LEU 838 N 0.81 1.07 -0.67 1.33 5.85 -1.33 -1.50 115.31 120.87 2qpy h LEU 838 Ca 0.16 -0.28 -0.04 0.00 0.84 0.00 0.00 57.88 58.56 2qpy h LEU 838 Cb 0.45 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.17 2qpy h LEU 838 CO 0.02 1.08 0.25 -0.78 -0.34 0.00 0.00 178.44 178.66 2qpy h ASP 839 N 1.02 0.94 -0.10 1.25 -0.00 -1.23 -2.58 116.42 115.73 2qpy h ASP 839 Ca 0.19 -0.18 -0.01 0.00 -0.00 0.00 0.00 57.03 57.03 2qpy h ASP 839 Cb 0.49 -0.24 -0.00 0.00 -0.00 0.00 0.00 39.33 39.57 2qpy h ASP 839 CO 0.02 0.87 0.03 0.03 -0.00 0.00 0.00 179.24 180.19 2qpy h ARG 840 N 0.95 0.15 -1.00 0.28 3.08 -0.82 0.28 114.38 117.30 2qpy h ARG 840 Ca 0.22 -0.03 0.13 0.00 0.07 0.00 0.00 59.98 60.36 2qpy h ARG 840 Cb 0.24 -0.02 -0.09 0.00 0.08 0.00 0.00 29.97 30.18 2qpy h ARG 840 CO -0.01 0.30 0.63 0.82 -1.07 0.00 0.00 179.97 180.63 2qpy h ILE 841 N -0.03 0.90 0.15 2.04 2.04 -1.17 0.54 117.51 121.98 2qpy h ILE 841 Ca 0.03 -0.33 -0.01 0.00 1.00 0.00 0.00 64.86 65.55 2qpy h ILE 841 Cb 0.21 -0.15 0.00 0.00 -0.74 0.00 0.00 36.82 36.14 2qpy h ILE 841 CO -0.00 0.18 -0.07 0.40 0.00 0.00 0.00 178.15 178.65 2qpy h ILE 842 N 0.97 0.00 -0.82 -0.67 2.04 -1.24 -3.36 117.51 114.43 2qpy h ILE 842 Ca 0.50 -0.52 0.18 0.00 1.00 0.00 0.00 64.86 66.02 2qpy h ILE 842 Cb 0.53 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 36.50 2qpy h ILE 842 CO -0.27 0.00 0.33 0.00 0.00 0.00 0.00 178.15 178.21 2qpy h ALA 843 N -1.39 1.22 0.00 1.87 0.00 -0.34 -2.63 119.26 117.99 2qpy h ALA 843 Ca -0.02 0.14 -0.14 0.00 0.00 0.00 0.00 54.91 54.89 2qpy h ALA 843 Cb 0.15 0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.02 2qpy h ALA 843 CO 0.03 -0.27 -0.16 0.00 0.00 0.00 0.00 179.25 178.86 2qpy n LYS 845 N 2.62 0.00 -0.32 0.00 3.00 -1.00 -4.93 118.16 117.53 2qpy n LYS 845 Ca 0.32 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.63 2qpy n LYS 845 Cb 0.68 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.71 2qpy n LYS 845 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2qpy n ARG 846 N -0.38 0.71 0.08 1.64 3.00 -1.08 -5.08 116.66 115.56 2qpy n ARG 846 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 2qpy n ARG 846 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 2qpy n ARG 846 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 2qpy n LYS 847 N -0.78 0.00 -2.59 5.56 4.01 -1.26 -5.02 118.16 118.07 2qpy n LYS 847 Ca 0.00 0.00 -0.39 0.00 -0.51 0.00 0.00 58.31 57.41 2qpy n LYS 847 Cb 0.00 0.00 -0.05 0.00 -0.51 0.00 0.00 35.03 34.47 2qpy n LYS 847 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 2qpy s ASN 848 N -4.74 7.21 0.00 4.39 4.22 -1.26 -4.92 114.94 119.84 2qpy s ASN 848 Ca 0.00 2.08 0.00 0.00 -2.14 0.00 0.00 52.86 52.80 2qpy s ASN 848 Cb 0.00 -2.61 0.00 0.00 1.28 0.00 0.00 41.25 39.92 2qpy s ASN 848 CO 0.00 -0.17 0.60 -0.81 -2.04 0.00 0.00 177.10 174.68 2qpy n PRO 849 N 0.81 0.68 -0.12 3.55 -0.04 -1.26 -3.42 135.00 135.19 2qpy n PRO 849 Ca 0.01 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.23 2qpy n PRO 849 Cb 0.47 -1.08 -0.08 0.00 -0.04 0.00 0.00 33.50 32.78 2qpy n PRO 849 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2qpy n THR 850 N -0.35 1.52 0.25 0.52 -1.04 -1.26 -4.23 114.28 109.69 2qpy n THR 850 Ca 0.00 -0.23 0.13 0.00 -2.04 0.00 0.00 64.05 61.91 2qpy n THR 850 Cb 0.04 -2.02 0.65 0.00 -1.82 0.00 0.00 70.33 67.18 2qpy n THR 850 CO 0.00 0.00 0.00 0.77 -0.64 0.00 0.00 175.07 175.20 2qpy h SER 851 N -1.00 0.00 -0.32 8.00 4.64 -1.98 -2.67 113.55 120.23 2qpy h SER 851 Ca -0.50 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 60.72 2qpy h SER 851 Cb 1.43 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.51 2qpy h SER 851 CO -0.30 0.13 -0.22 0.00 -0.87 0.00 0.00 176.83 175.58 2qpy h SER 853 N 0.47 -0.30 -0.98 0.00 0.02 -1.69 -2.00 113.55 109.06 2qpy h SER 853 Ca 0.06 -0.23 0.19 0.00 -0.84 0.00 0.00 61.79 60.98 2qpy h SER 853 Cb 0.77 0.08 -0.09 0.00 0.14 0.00 0.00 62.40 63.29 2qpy h SER 853 CO 0.06 0.15 0.61 -0.09 -1.14 0.00 0.00 176.83 176.42 2qpy h ARG 854 N -0.85 0.64 -0.12 3.45 2.43 -1.56 0.24 114.38 118.61 2qpy h ARG 854 Ca -0.04 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.06 2qpy h ARG 854 Cb 0.51 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 29.91 2qpy h ARG 854 CO 0.06 0.43 -0.05 -0.09 -1.51 0.00 0.00 179.97 178.80 2qpy h ARG 855 N 0.66 0.25 -0.54 0.20 9.65 -1.34 -1.21 114.38 122.06 2qpy h ARG 855 Ca 0.55 -0.11 0.03 0.00 -1.10 0.00 0.00 59.98 59.35 2qpy h ARG 855 Cb 0.98 -0.01 -0.03 0.00 -1.39 0.00 0.00 29.97 29.53 2qpy h ARG 855 CO -0.31 0.58 0.36 0.35 2.80 0.00 0.00 179.97 183.75 2qpy h PHE 856 N -0.09 0.61 -0.33 2.20 3.57 -0.35 -0.94 116.94 121.61 2qpy h PHE 856 Ca 0.03 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.51 2qpy h PHE 856 Cb 0.51 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.03 2qpy h PHE 856 CO 0.06 0.36 0.08 -0.92 -2.23 0.00 0.00 178.31 175.67 2qpy h TYR 857 N 0.64 0.55 -0.43 0.41 3.20 -0.33 -1.53 116.97 119.48 2qpy h TYR 857 Ca 0.21 -0.06 -0.05 0.00 3.14 0.00 0.00 58.73 61.98 2qpy h TYR 857 Cb 0.07 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.17 2qpy h TYR 857 CO -0.00 0.56 0.09 1.96 -1.64 0.00 0.00 178.16 179.13 2qpy h GLN 858 N 0.37 0.69 -0.38 1.82 4.20 -0.35 -1.54 115.11 119.93 2qpy h GLN 858 Ca 0.10 -0.18 -0.07 0.00 0.06 0.00 0.00 58.65 58.57 2qpy h GLN 858 Cb 0.29 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.97 2qpy h GLN 858 CO 0.00 0.72 -0.02 -0.07 -0.67 0.00 0.00 178.83 178.79 2qpy h LEU 859 N 0.56 0.68 -1.29 1.46 3.38 -1.18 -0.10 115.31 118.82 2qpy h LEU 859 Ca 0.13 -0.32 -0.05 0.00 0.09 0.00 0.00 57.88 57.74 2qpy h LEU 859 Cb 0.35 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 2qpy h LEU 859 CO 0.00 0.83 -0.00 0.71 0.09 0.00 0.00 178.44 180.08 2qpy h THR 860 N 0.51 1.19 -0.31 0.22 1.35 -1.24 -1.20 112.91 113.42 2qpy h THR 860 Ca 0.11 -0.73 -0.10 0.00 -0.55 0.00 0.00 66.41 65.13 2qpy h THR 860 Cb 0.50 0.95 -0.01 0.00 -1.73 0.00 0.00 68.15 67.86 2qpy h THR 860 CO 0.02 0.25 -0.20 0.11 -0.25 0.00 0.00 175.52 175.46 2qpy h LYS 861 N 0.46 0.67 -0.45 4.72 1.79 -0.96 -2.73 116.57 120.07 2qpy h LYS 861 Ca 0.10 -0.32 -0.02 0.00 -2.18 0.00 0.00 60.65 58.24 2qpy h LYS 861 Cb 0.31 -0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 30.92 2qpy h LYS 861 CO 0.01 0.92 0.20 1.25 -1.08 0.00 0.00 179.45 180.74 2qpy h LEU 862 N 0.43 0.57 -0.47 2.94 5.85 -0.47 -2.33 115.31 121.83 2qpy h LEU 862 Ca 0.06 -0.05 -0.09 0.00 0.84 0.00 0.00 57.88 58.64 2qpy h LEU 862 Cb 0.74 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.61 2qpy h LEU 862 CO 0.05 0.51 -0.06 -0.07 -0.34 0.00 0.00 178.44 178.53 2qpy h LEU 863 N 0.64 0.87 -1.08 2.25 3.38 -1.09 -3.07 115.31 117.20 2qpy h LEU 863 Ca 0.16 -0.34 -0.09 0.00 0.09 0.00 0.00 57.88 57.70 2qpy h LEU 863 Cb 0.10 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 2qpy h LEU 863 CO -0.02 1.00 -0.44 0.44 0.09 0.00 0.00 178.44 179.51 2qpy h ASP 864 N 0.72 0.00 0.40 -0.43 3.32 -1.17 -2.85 116.42 116.41 2qpy h ASP 864 Ca 0.13 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.18 2qpy h ASP 864 Cb 0.59 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.14 2qpy h ASP 864 CO 0.04 0.44 0.00 -1.54 -1.72 0.00 0.00 179.24 176.46 2qpy n SER 865 N -3.90 0.59 0.10 6.45 3.41 -0.90 -2.14 113.62 117.23 2qpy n SER 865 Ca -0.01 0.70 -0.17 0.00 -0.26 0.00 0.00 58.87 59.12 2qpy n SER 865 Cb 0.48 -0.80 -0.11 0.00 -0.26 0.00 0.00 64.21 63.52 2qpy n SER 865 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 2qpy h VAL 866 N 0.00 1.41 0.03 -3.33 2.07 -1.57 -3.34 116.25 111.53 2qpy h VAL 866 Ca 0.00 -2.74 0.03 0.00 0.82 0.00 0.00 66.70 64.81 2qpy h VAL 866 Cb 0.20 2.76 -0.05 0.00 -1.52 0.00 0.00 31.29 32.69 2qpy h VAL 866 CO 0.00 0.81 -0.32 1.56 0.02 0.00 0.00 177.57 179.65 2qpy h GLN 867 N 0.16 -0.47 -0.81 1.57 1.08 -1.57 -0.19 115.11 114.88 2qpy h GLN 867 Ca -0.14 0.03 0.14 0.00 -1.45 0.00 0.00 58.65 57.23 2qpy h GLN 867 Cb 1.87 0.11 -0.09 0.00 -0.05 0.00 0.00 27.48 29.32 2qpy h GLN 867 CO 0.21 -0.31 0.40 -1.35 -0.95 0.00 0.00 178.83 176.83 2qpy h PRO 868 N -0.49 0.58 -0.73 1.46 0.11 -1.70 0.91 132.00 132.14 2qpy h PRO 868 Ca 0.05 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 66.08 2qpy h PRO 868 Cb 0.56 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 31.51 2qpy h PRO 868 CO -0.24 0.38 0.27 0.82 -0.21 0.00 0.00 178.00 179.02 2qpy h ILE 869 N 0.60 1.25 -0.46 4.15 2.04 -1.55 -2.51 117.51 121.04 2qpy h ILE 869 Ca 0.44 -0.83 -0.09 0.00 1.00 0.00 0.00 64.86 65.38 2qpy h ILE 869 Cb 0.60 0.43 -0.02 0.00 -0.74 0.00 0.00 36.82 37.09 2qpy h ILE 869 CO -0.35 0.33 -0.06 0.00 0.00 0.00 0.00 178.15 178.06 2qpy h ALA 870 N 1.13 1.03 -0.53 1.87 0.00 0.50 -2.65 119.26 120.61 2qpy h ALA 870 Ca 0.24 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 2qpy h ALA 870 Cb 0.25 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2qpy h ALA 870 CO -0.02 0.59 0.15 -0.09 0.00 0.00 0.00 179.25 179.89 2qpy h ARG 871 N 0.73 0.84 -0.18 0.00 1.12 -0.61 0.58 114.38 116.85 2qpy h ARG 871 Ca 0.13 -0.19 -0.05 0.00 -1.11 0.00 0.00 59.98 58.76 2qpy h ARG 871 Cb 0.54 -0.12 -0.01 0.00 -0.01 0.00 0.00 29.97 30.37 2qpy h ARG 871 CO 0.03 0.78 -0.10 0.93 -3.11 0.00 0.00 179.97 178.50 2qpy h GLU 872 N 0.74 0.29 0.00 0.20 5.08 -1.30 -1.48 114.58 118.11 2qpy h GLU 872 Ca 0.17 -0.06 -0.18 0.00 -1.00 0.00 0.00 59.36 58.29 2qpy h GLU 872 Cb 0.30 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.49 2qpy h GLU 872 CO -0.00 0.40 -0.84 -0.07 -1.00 0.00 0.00 179.01 177.50 2qpy h LEU 873 N 0.28 0.00 -0.47 1.33 3.38 -1.11 -2.49 115.31 116.23 2qpy h LEU 873 Ca 0.06 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.97 2qpy h LEU 873 Cb 0.36 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 2qpy h LEU 873 CO 0.02 0.84 0.06 0.45 0.09 0.00 0.00 178.44 179.90 2qpy h HIS 874 N 0.00 0.84 -0.26 1.13 3.86 -0.09 -1.40 115.15 119.24 2qpy h HIS 874 Ca -0.01 -0.13 -0.07 0.00 -1.16 0.00 0.00 60.37 59.01 2qpy h HIS 874 Cb 1.53 -0.23 -0.01 0.00 1.06 0.00 0.00 27.41 29.77 2qpy h HIS 874 CO 0.00 0.79 -0.10 1.96 0.86 0.00 0.00 177.93 181.44 2qpy h GLN 875 N 0.65 0.53 0.10 2.45 1.08 -1.30 -2.02 115.11 116.60 2qpy h GLN 875 Ca 0.14 -0.22 -0.00 0.00 -1.45 0.00 0.00 58.65 57.12 2qpy h GLN 875 Cb 0.42 -0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 27.83 2qpy h GLN 875 CO 0.01 0.77 -0.06 0.35 -0.95 0.00 0.00 178.83 178.95 2qpy h PHE 876 N 0.26 -0.16 -0.20 2.96 3.04 -1.39 -1.39 116.94 120.07 2qpy h PHE 876 Ca 0.06 -0.00 -0.03 0.00 3.98 0.00 0.00 57.97 61.98 2qpy h PHE 876 Cb 0.60 0.06 -0.01 0.00 2.56 0.00 0.00 35.95 39.15 2qpy h PHE 876 CO 0.06 -0.10 -0.02 0.00 -2.02 0.00 0.00 178.31 176.23 2qpy h THR 877 N -0.16 1.14 0.94 4.41 1.03 -1.30 -1.35 112.91 117.62 2qpy h THR 877 Ca -0.01 -0.56 -0.05 0.00 -0.01 0.00 0.00 66.41 65.78 2qpy h THR 877 Cb 0.13 1.01 0.01 0.00 -1.07 0.00 0.00 68.15 68.23 2qpy h THR 877 CO 0.01 0.19 -0.45 0.15 -0.01 0.00 0.00 175.52 175.41 2qpy h PHE 878 N 0.29 -1.17 -0.89 0.00 3.57 -0.80 -1.32 116.94 116.63 2qpy h PHE 878 Ca 0.07 -0.03 0.08 0.00 3.53 0.00 0.00 57.97 61.62 2qpy h PHE 878 Cb 0.23 0.39 -0.07 0.00 2.79 0.00 0.00 35.95 39.29 2qpy h PHE 878 CO 0.00 -0.73 0.54 -0.44 -2.23 0.00 0.00 178.31 175.46 2qpy h ASP 879 N -1.30 0.82 -0.84 0.41 3.32 -1.09 -1.62 116.42 116.13 2qpy h ASP 879 Ca -0.13 0.03 0.04 0.00 0.02 0.00 0.00 57.03 57.00 2qpy h ASP 879 Cb 0.97 -0.14 -0.05 0.00 0.22 0.00 0.00 39.33 40.33 2qpy h ASP 879 CO 0.21 0.50 0.53 0.25 -1.72 0.00 0.00 179.24 179.01 2qpy h LEU 880 N 0.94 0.85 -0.10 1.55 5.85 -1.11 -2.07 115.31 121.22 2qpy h LEU 880 Ca 0.41 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 59.13 2qpy h LEU 880 Cb 0.28 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.13 2qpy h LEU 880 CO -0.21 0.57 0.04 0.25 -0.34 0.00 0.00 178.44 178.75 2qpy h LEU 881 N 1.00 0.14 -0.06 2.25 5.85 -0.31 -0.51 115.31 123.67 2qpy h LEU 881 Ca 0.35 -0.16 0.04 0.00 0.84 0.00 0.00 57.88 58.94 2qpy h LEU 881 Cb 0.08 -0.04 -0.06 0.00 0.37 0.00 0.00 40.66 41.01 2qpy h LEU 881 CO -0.14 0.26 -0.41 0.40 -0.34 0.00 0.00 178.44 178.21 2qpy h ILE 882 N 0.01 0.16 -1.48 4.05 1.08 -0.97 -2.63 117.51 117.73 2qpy h ILE 882 Ca 0.03 0.00 -0.70 0.00 -0.39 0.00 0.00 64.86 63.80 2qpy h ILE 882 Cb 0.17 0.16 -0.31 0.00 -3.07 0.00 0.00 36.82 33.77 2qpy h ILE 882 CO -0.00 0.00 0.65 2.29 -0.69 0.00 0.00 178.15 180.40 2qpy n LYS 883 N -5.44 2.87 0.12 2.37 2.85 -0.82 -4.54 118.16 115.57 2qpy n LYS 883 Ca -0.05 -3.59 0.12 0.00 -1.05 0.00 0.00 58.31 53.74 2qpy n LYS 883 Cb 0.36 -2.28 0.15 0.00 -0.65 0.00 0.00 35.03 32.62 2qpy n LYS 883 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 2qpy h SER 884 N 2.52 0.00 0.15 -5.58 4.64 -0.69 -3.11 113.55 111.48 2qpy h SER 884 Ca 0.54 -0.06 -0.19 0.00 -0.47 0.00 0.00 61.79 61.61 2qpy h SER 884 Cb 0.53 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.62 2qpy h SER 884 CO 1.38 0.03 -0.71 0.45 -0.87 0.00 0.00 176.83 177.11 2qpy h HIS 885 N 0.00 0.66 0.00 4.77 3.86 -1.81 -2.37 115.15 120.26 2qpy h HIS 885 Ca 0.00 -0.28 -0.15 0.00 -1.16 0.00 0.00 60.37 58.77 2qpy h HIS 885 Cb 0.89 -0.11 -0.03 0.00 1.06 0.00 0.00 27.41 29.22 2qpy h HIS 885 CO 0.00 1.05 -1.36 0.00 0.86 0.00 0.00 177.93 178.47 2qpy h MET 886 N 0.34 0.00 -0.01 2.45 -0.00 -1.93 -3.34 114.93 112.44 2qpy h MET 886 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.67 2qpy h MET 886 Cb 1.29 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.89 2qpy h MET 886 CO 0.13 0.27 -0.13 1.33 -0.00 0.00 0.00 176.91 178.51 2qpy n VAL 887 N -2.88 0.00 -3.29 -0.10 0.24 -1.17 -4.97 118.33 106.15 2qpy n VAL 887 Ca -0.09 -0.18 -0.16 0.00 -2.04 0.00 0.00 64.34 61.88 2qpy n VAL 887 Cb 0.82 0.41 0.08 0.00 -1.47 0.00 0.00 33.84 33.67 2qpy n VAL 887 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 2qpy n SER 888 N -0.29 -4.04 -4.03 -1.34 7.64 -1.09 -4.59 113.62 105.88 2qpy n SER 888 Ca 0.16 -0.64 -0.31 0.00 1.01 0.00 0.00 58.87 59.09 2qpy n SER 888 Cb 0.34 -5.01 -0.16 0.00 -1.01 0.00 0.00 64.21 58.37 2qpy n SER 888 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2qpy s VAL 889 N -3.36 1.67 0.08 0.44 1.01 -0.91 -4.66 120.40 114.67 2qpy s VAL 889 Ca 0.20 -0.74 -0.25 0.00 0.00 0.00 0.00 61.98 61.19 2qpy s VAL 889 Cb -0.03 -1.58 -0.06 0.00 0.00 0.00 0.00 36.38 34.71 2qpy s VAL 889 CO 0.71 0.43 0.77 -1.81 0.00 0.00 0.00 175.10 175.20 2qpy s ASP 890 N 1.44 7.27 -0.20 3.32 1.01 -1.26 -4.73 116.67 123.51 2qpy s ASP 890 Ca 0.04 1.51 0.01 0.00 0.71 0.00 0.00 52.55 54.82 2qpy s ASP 890 Cb -0.13 -2.48 0.03 0.00 1.01 0.00 0.00 42.92 41.35 2qpy s ASP 890 CO -0.11 0.07 -0.17 -0.36 0.21 0.00 0.00 175.17 174.81 2qpy s PHE 891 N -0.38 2.88 1.14 4.23 0.40 -1.26 -4.70 117.98 120.29 2qpy s PHE 891 Ca 0.38 -1.81 -0.18 0.00 -0.60 0.00 0.00 56.93 54.72 2qpy s PHE 891 Cb -0.21 -1.91 0.14 0.00 0.51 0.00 0.00 43.02 41.55 2qpy s PHE 891 CO 0.24 -0.82 0.17 -2.30 0.70 0.00 0.00 175.22 173.21 2qpy n PRO 892 N 4.58 -1.81 0.11 0.24 -0.02 -1.26 -4.58 135.00 132.26 2qpy n PRO 892 Ca -0.19 -0.51 -0.06 0.00 -2.02 0.00 0.00 63.50 60.72 2qpy n PRO 892 Cb 0.48 -1.78 -0.03 0.00 -0.02 0.00 0.00 33.50 32.15 2qpy n PRO 892 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2qpy h GLU 893 N -2.20 -0.33 -0.67 -0.52 4.81 -1.99 -1.65 114.58 112.03 2qpy h GLU 893 Ca -0.56 0.02 0.10 0.00 -0.13 0.00 0.00 59.36 58.79 2qpy h GLU 893 Cb 1.36 0.07 -0.07 0.00 0.63 0.00 0.00 28.75 30.74 2qpy h GLU 893 CO 0.40 -0.22 0.30 0.52 -0.73 0.00 0.00 179.01 179.29 2qpy h MET 894 N -0.34 0.50 -0.15 1.92 2.86 -1.99 -1.74 114.93 115.99 2qpy h MET 894 Ca -0.03 -0.03 0.05 0.00 -2.06 0.00 0.00 59.70 57.63 2qpy h MET 894 Cb 0.28 -0.11 -0.05 0.00 0.06 0.00 0.00 31.60 31.78 2qpy h MET 894 CO 0.01 0.33 -0.16 0.52 1.06 0.00 0.00 176.91 178.67 2qpy h MET 895 N 0.52 -0.18 -0.04 1.72 2.86 -1.90 -0.49 114.93 117.42 2qpy h MET 895 Ca 0.34 0.01 -0.08 0.00 -2.06 0.00 0.00 59.70 57.91 2qpy h MET 895 Cb 0.39 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.08 2qpy h MET 895 CO -0.29 -0.12 -0.33 0.00 1.06 0.00 0.00 176.91 177.24 2qpy h ALA 896 N 0.89 1.38 -0.02 6.32 0.00 -0.93 -1.70 119.26 125.20 2qpy h ALA 896 Ca 0.10 -0.32 -0.25 0.00 0.00 0.00 0.00 54.91 54.45 2qpy h ALA 896 Cb 0.33 -0.07 0.02 0.00 0.00 0.00 0.00 17.79 18.08 2qpy h ALA 896 CO -0.26 0.45 -0.95 1.49 0.00 0.00 0.00 179.25 179.98 2qpy h GLU 897 N 0.07 0.67 -0.16 0.00 4.81 -0.84 -2.62 114.58 116.52 2qpy h GLU 897 Ca 0.01 -0.70 -0.21 0.00 -0.13 0.00 0.00 59.36 58.32 2qpy h GLU 897 Cb 0.61 0.19 0.01 0.00 0.63 0.00 0.00 28.75 30.20 2qpy h GLU 897 CO 0.04 1.29 -0.74 0.82 -0.73 0.00 0.00 179.01 179.69 2qpy h ILE 898 N 0.34 1.29 0.00 2.32 2.04 -1.05 -2.18 117.51 120.26 2qpy h ILE 898 Ca -0.11 -1.96 -0.04 0.00 1.00 0.00 0.00 64.86 63.74 2qpy h ILE 898 Cb 1.61 1.95 -0.01 0.00 -0.74 0.00 0.00 36.82 39.64 2qpy h ILE 898 CO 0.19 0.62 -0.21 0.40 0.00 0.00 0.00 178.15 179.15 2qpy h ILE 899 N 0.52 0.60 0.00 -0.67 2.04 -1.39 0.30 117.51 118.90 2qpy h ILE 899 Ca -0.04 -0.97 0.00 0.00 1.00 0.00 0.00 64.86 64.85 2qpy h ILE 899 Cb 1.36 1.64 0.00 0.00 -0.74 0.00 0.00 36.82 39.08 2qpy h ILE 899 CO 0.15 0.20 -1.19 -1.54 0.00 0.00 0.00 178.15 175.77 2qpy n SER 900 N -3.49 0.56 -0.01 1.72 3.41 -0.99 -4.12 113.62 110.71 2qpy n SER 900 Ca -0.01 -0.19 -0.02 0.00 -0.26 0.00 0.00 58.87 58.40 2qpy n SER 900 Cb 0.37 0.99 -0.01 0.00 -0.26 0.00 0.00 64.21 65.30 2qpy n SER 900 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 2qpy n VAL 901 N -2.05 0.10 -0.07 -3.33 0.31 -0.83 -4.74 118.33 107.73 2qpy n VAL 901 Ca 0.01 -0.03 -0.13 0.00 -0.01 0.00 0.00 64.34 64.18 2qpy n VAL 901 Cb 0.46 -1.09 -0.10 0.00 -0.91 0.00 0.00 33.84 32.21 2qpy n VAL 901 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 2qpy h GLN 902 N -0.04 0.00 -0.58 5.55 1.08 -0.65 -3.36 115.11 117.11 2qpy h GLN 902 Ca -0.04 0.00 0.12 0.00 -1.45 0.00 0.00 58.65 57.27 2qpy h GLN 902 Cb 1.05 0.00 -0.10 0.00 -0.05 0.00 0.00 27.48 28.39 2qpy h GLN 902 CO -0.02 0.77 0.02 0.28 -0.95 0.00 0.00 178.83 178.93 2qpy h VAL 903 N -1.00 0.54 -0.98 -0.54 2.07 -1.38 -1.54 116.25 113.41 2qpy h VAL 903 Ca -0.08 -0.05 0.18 0.00 0.82 0.00 0.00 66.70 67.57 2qpy h VAL 903 Cb 0.88 0.40 -0.10 0.00 -1.52 0.00 0.00 31.29 30.94 2qpy h VAL 903 CO -0.05 0.02 0.59 -0.65 0.02 0.00 0.00 177.57 177.50 2qpy h PRO 904 N 0.14 0.74 -0.11 1.57 0.11 -1.75 0.29 132.00 132.99 2qpy h PRO 904 Ca 0.30 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.35 2qpy h PRO 904 Cb 0.48 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.41 2qpy h PRO 904 CO -0.48 0.49 0.00 0.87 -0.21 0.00 0.00 178.00 178.67 2qpy h LYS 905 N 0.76 0.15 -0.02 1.05 1.57 -1.43 0.11 116.57 118.75 2qpy h LYS 905 Ca 0.56 -0.02 -0.07 0.00 -1.87 0.00 0.00 60.65 59.25 2qpy h LYS 905 Cb 0.84 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.13 2qpy h LYS 905 CO -0.38 0.16 -0.27 0.82 -0.57 0.00 0.00 179.45 179.22 2qpy h ILE 906 N 0.15 1.50 0.00 1.86 2.04 -0.37 0.32 117.51 123.00 2qpy h ILE 906 Ca 0.04 -1.84 0.00 0.00 1.00 0.00 0.00 64.86 64.06 2qpy h ILE 906 Cb 0.10 2.59 0.00 0.00 -0.74 0.00 0.00 36.82 38.77 2qpy h ILE 906 CO 0.00 0.51 0.00 0.18 0.00 0.00 0.00 178.15 178.84 2qpy n LEU 907 N -4.49 0.73 0.06 1.44 4.77 -0.64 -2.96 117.00 115.91 2qpy n LEU 907 Ca -0.09 0.64 0.10 0.00 -0.03 0.00 0.00 56.01 56.63 2qpy n LEU 907 Cb 0.50 -0.48 -0.07 0.00 -2.33 0.00 0.00 43.42 41.04 2qpy n LEU 907 CO 0.40 -0.43 -0.28 -1.54 -1.33 0.00 0.00 177.39 174.21 2qpy n SER 908 N -2.26 0.55 0.00 -1.43 3.41 0.34 -4.97 113.62 109.26 2qpy n SER 908 Ca 0.03 0.21 0.00 0.00 -0.26 0.00 0.00 58.87 58.86 2qpy n SER 908 Cb 0.30 0.97 0.00 0.00 -0.26 0.00 0.00 64.21 65.22 2qpy n SER 908 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qpy n GLY 909 N 1.23 1.26 0.08 5.00 0.00 -1.08 -4.98 105.19 106.70 2qpy n GLY 909 Ca -0.02 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.90 2qpy n GLY 909 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qpy h LYS 910 N 1.34 0.03 -5.05 1.61 1.79 -0.74 -3.40 116.57 112.16 2qpy h LYS 910 Ca 0.00 -0.00 -0.65 0.00 -2.18 0.00 0.00 60.65 57.82 2qpy h LYS 910 Cb 0.00 -0.01 -0.23 0.00 -1.58 0.00 0.00 32.23 30.42 2qpy h LYS 910 CO 0.00 0.02 -0.64 0.08 -1.08 0.00 0.00 179.45 177.83 2qpy s VAL 911 N -6.19 4.12 -0.04 0.50 1.01 0.23 -0.17 120.40 119.86 2qpy s VAL 911 Ca -0.13 -0.25 0.05 0.00 0.00 0.00 0.00 61.98 61.65 2qpy s VAL 911 Cb 0.08 -2.89 -0.01 0.00 0.00 0.00 0.00 36.38 33.56 2qpy s VAL 911 CO 0.67 0.39 -0.19 -0.54 0.00 0.00 0.00 175.10 175.44 2qpy s LYS 912 N 1.26 1.92 1.02 2.72 1.02 -1.02 -4.38 119.74 122.27 2qpy s LYS 912 Ca 0.04 -0.68 -0.11 0.00 0.02 0.00 0.00 55.97 55.24 2qpy s LYS 912 Cb -0.15 -1.67 0.20 0.00 -0.52 0.00 0.00 37.83 35.70 2qpy s LYS 912 CO 0.02 0.29 1.10 -2.14 -0.92 0.00 0.00 175.35 173.69 2qpy s PRO 913 N -0.04 0.22 -0.49 -1.68 0.02 -1.26 -3.39 135.00 128.37 2qpy s PRO 913 Ca -0.03 1.25 -0.04 0.00 0.02 0.00 0.00 61.00 62.20 2qpy s PRO 913 Cb -0.12 -1.66 0.13 0.00 0.02 0.00 0.00 34.50 32.88 2qpy s PRO 913 CO 0.02 -3.08 0.30 0.42 -0.33 0.00 0.00 177.00 174.33 2qpy s ILE 914 N -2.58 3.53 0.31 2.83 1.01 0.27 -4.90 121.20 121.68 2qpy s ILE 914 Ca 0.67 -2.33 -0.20 0.00 0.00 0.00 0.00 60.65 58.80 2qpy s ILE 914 Cb -0.24 -3.37 -0.09 0.00 0.01 0.00 0.00 42.46 38.77 2qpy s ILE 914 CO 0.61 -0.76 0.81 -0.31 0.00 0.00 0.00 174.94 175.29 2qpy s TYR 915 N 0.77 3.52 -0.06 3.97 1.51 -1.26 -4.91 117.35 120.88 2qpy s TYR 915 Ca 0.11 1.46 -0.25 0.00 -1.01 0.00 0.00 57.07 57.38 2qpy s TYR 915 Cb -0.22 -2.70 -0.25 0.00 -0.11 0.00 0.00 41.96 38.69 2qpy s TYR 915 CO -0.04 0.16 0.98 0.74 -1.11 0.00 0.00 175.55 176.29 2qpy h PHE 916 N 2.76 0.27 -2.92 2.71 -1.00 -1.99 -3.46 116.94 113.32 2qpy h PHE 916 Ca -0.48 -0.15 -0.60 0.00 2.81 0.00 0.00 57.97 59.54 2qpy h PHE 916 Cb 1.18 -0.03 -0.07 0.00 3.61 0.00 0.00 35.95 40.65 2qpy h PHE 916 CO 0.62 0.99 -0.55 -1.01 -1.61 0.00 0.00 178.31 176.75 2qpy s HIS 917 N -2.94 3.28 -2.00 -0.55 3.76 -1.26 -5.16 115.29 110.41 2qpy s HIS 917 Ca -0.16 0.09 0.27 0.00 -0.15 0.00 0.00 55.06 55.11 2qpy s HIS 917 Cb 0.00 -1.62 1.61 0.00 1.11 0.00 0.00 32.58 33.68 2qpy s HIS 917 CO 0.75 0.53 1.95 2.41 -0.85 0.00 0.00 174.74 179.53