#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3n3k s LEU 757 N 0.00 4.50 0.62 6.15 1.43 -1.26 -5.02 118.68 125.09 3n3k s LEU 757 Ca 0.00 2.13 -0.18 0.00 -1.03 0.00 0.00 54.13 55.05 3n3k s LEU 757 Cb 0.00 -3.61 -0.02 0.00 0.03 0.00 0.00 46.19 42.59 3n3k s LEU 757 CO 0.00 -0.21 1.20 -0.55 0.23 0.00 0.00 176.35 177.02 3n3k s SER 758 N -0.24 5.02 0.22 2.29 0.15 -1.26 -4.90 113.70 114.98 3n3k s SER 758 Ca 0.49 2.37 -0.08 0.00 0.70 0.00 0.00 55.95 59.43 3n3k s SER 758 Cb -0.30 -2.60 0.17 0.00 -1.71 0.00 0.00 66.02 61.59 3n3k s SER 758 CO 0.36 -1.71 1.81 0.00 1.20 0.00 0.00 173.24 174.90 3n3k h ALA 759 N 0.65 1.06 -0.61 5.45 0.00 -2.00 -2.06 119.26 121.75 3n3k h ALA 759 Ca -0.50 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.20 3n3k h ALA 759 Cb 1.30 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 3n3k h ALA 759 CO 0.54 0.63 0.19 1.03 0.00 0.00 0.00 179.25 181.65 3n3k h SER 760 N 1.17 0.86 -0.24 0.00 0.87 -2.00 -2.59 113.55 111.62 3n3k h SER 760 Ca 0.28 -0.14 -0.16 0.00 -1.23 0.00 0.00 61.79 60.54 3n3k h SER 760 Cb 0.13 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 61.87 3n3k h SER 760 CO -0.03 0.81 -0.47 1.56 -0.53 0.00 0.00 176.83 178.17 3n3k h GLN 761 N 0.90 0.74 -0.56 2.24 4.20 -1.89 -2.99 115.11 117.75 3n3k h GLN 761 Ca 0.20 -0.48 0.06 0.00 0.06 0.00 0.00 58.65 58.50 3n3k h GLN 761 Cb 0.26 0.06 -0.05 0.00 0.30 0.00 0.00 27.48 28.04 3n3k h GLN 761 CO -0.01 1.10 0.27 0.82 -0.67 0.00 0.00 178.83 180.34 3n3k h ILE 762 N 0.47 0.91 -0.88 2.54 2.04 -1.31 -2.50 117.51 118.79 3n3k h ILE 762 Ca 0.01 -0.17 0.08 0.00 1.00 0.00 0.00 64.86 65.77 3n3k h ILE 762 Cb 1.07 0.36 -0.07 0.00 -0.74 0.00 0.00 36.82 37.44 3n3k h ILE 762 CO 0.10 0.09 0.54 -0.09 0.00 0.00 0.00 178.15 178.79 3n3k h ARG 763 N 0.51 0.92 0.00 2.37 2.43 -1.42 -1.74 114.38 117.44 3n3k h ARG 763 Ca 0.26 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.37 3n3k h ARG 763 Cb 0.21 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 3n3k h ARG 763 CO -0.20 0.61 0.00 0.09 -1.51 0.00 0.00 179.97 178.96 3n3k n ASN 764 N -4.64 0.47 0.07 -3.80 3.02 -1.05 -2.63 115.26 106.70 3n3k n ASN 764 Ca 0.14 0.55 0.13 0.00 -0.03 0.00 0.00 54.58 55.36 3n3k n ASN 764 Cb 0.23 -0.67 0.31 0.00 -0.61 0.00 0.00 39.78 39.03 3n3k n ASN 764 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3n3k n LEU 765 N -1.95 0.67 -4.05 3.41 4.77 -0.68 -4.39 117.00 114.78 3n3k n LEU 765 Ca 0.06 0.38 -0.40 0.00 -0.03 0.00 0.00 56.01 56.01 3n3k n LEU 765 Cb 0.38 -0.27 -0.00 0.00 -2.33 0.00 0.00 43.42 41.20 3n3k n LEU 765 CO 0.28 -0.09 -0.21 -3.20 -1.33 0.00 0.00 177.39 172.84 3n3k n ASN 766 N -2.08 -3.11 -4.81 -1.43 5.15 -1.05 -0.13 115.26 107.80 3n3k n ASN 766 Ca 0.05 -1.23 -0.34 0.00 -0.60 0.00 0.00 54.58 52.46 3n3k n ASN 766 Cb 0.42 -2.05 -0.06 0.00 -0.53 0.00 0.00 39.78 37.56 3n3k n ASN 766 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 3n3k s PRO 767 N -7.12 4.15 -0.24 1.20 0.04 -1.26 -4.46 135.00 127.32 3n3k s PRO 767 Ca 0.36 1.24 -0.11 0.00 0.04 0.00 0.00 61.00 62.53 3n3k s PRO 767 Cb -0.19 -2.26 -0.05 0.00 0.04 0.00 0.00 34.50 32.05 3n3k s PRO 767 CO 0.95 -0.11 0.20 0.08 0.04 0.00 0.00 177.00 178.16 3n3k s VAL 768 N -2.02 5.33 0.77 -0.36 1.01 -0.46 -5.02 120.40 119.64 3n3k s VAL 768 Ca 0.62 0.26 -0.09 0.00 0.00 0.00 0.00 61.98 62.78 3n3k s VAL 768 Cb -0.13 -3.54 0.09 0.00 0.00 0.00 0.00 36.38 32.80 3n3k s VAL 768 CO 0.17 0.33 1.09 -0.36 0.00 0.00 0.00 175.10 176.33 3n3k s PHE 769 N 1.12 2.59 0.00 5.22 0.08 -1.26 -0.10 117.98 125.64 3n3k s PHE 769 Ca 0.09 0.41 0.00 0.00 0.12 0.00 0.00 56.93 57.55 3n3k s PHE 769 Cb -0.14 -3.38 0.00 0.00 -0.57 0.00 0.00 43.02 38.93 3n3k s PHE 769 CO 0.05 -1.70 0.00 0.41 -0.10 0.00 0.00 175.22 173.88 3n3k n GLY 770 N -3.12 1.19 3.77 4.36 0.00 0.20 -4.17 105.19 107.41 3n3k n GLY 770 Ca 0.10 -0.08 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 3n3k n GLY 770 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3n3k s GLY 771 N -2.11 2.95 0.42 -0.02 0.00 0.40 -4.54 107.32 104.41 3n3k s GLY 771 Ca 0.00 1.36 0.19 0.00 0.00 0.00 0.00 44.72 46.28 3n3k s GLY 771 CO 0.00 2.00 1.87 1.76 0.00 0.00 0.00 173.10 178.73 3n3k h SER 772 N 2.93 0.00 -0.18 1.64 0.02 -1.81 -3.44 113.55 112.70 3n3k h SER 772 Ca -0.50 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.45 3n3k h SER 772 Cb 1.24 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.78 3n3k h SER 772 CO 0.64 0.29 0.00 0.61 -1.14 0.00 0.00 176.83 177.23 3n3k n GLY 773 N -0.30 0.13 3.66 -3.77 0.00 -1.26 -5.03 105.19 98.63 3n3k n GLY 773 Ca -0.01 -1.28 -0.46 0.00 0.00 0.00 0.00 46.02 44.26 3n3k n GLY 773 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3n3k n PRO 774 N -1.05 2.08 -1.65 1.61 -0.02 -1.26 -1.82 135.00 132.88 3n3k n PRO 774 Ca 0.00 0.75 -0.17 0.00 -2.02 0.00 0.00 63.50 62.05 3n3k n PRO 774 Cb 0.00 -2.50 -0.06 0.00 -0.02 0.00 0.00 33.50 30.92 3n3k n PRO 774 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3n3k n ALA 775 N 3.18 -0.31 -1.98 3.55 0.00 -0.04 -4.87 120.51 120.04 3n3k n ALA 775 Ca 0.16 0.26 -0.26 0.00 0.00 0.00 0.00 53.44 53.60 3n3k n ALA 775 Cb 0.28 -1.82 0.03 0.00 0.00 0.00 0.00 19.45 17.94 3n3k n ALA 775 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3n3k n LEU 776 N -2.07 5.36 -4.33 0.00 4.77 -0.76 -4.99 117.00 114.97 3n3k n LEU 776 Ca -0.18 -4.75 -0.33 0.00 -0.03 0.00 0.00 56.01 50.72 3n3k n LEU 776 Cb 0.59 -0.46 -0.15 0.00 -2.33 0.00 0.00 43.42 41.06 3n3k n LEU 776 CO 0.26 2.03 -0.47 -0.89 -1.33 0.00 0.00 177.39 176.99 3n3k s THR 777 N -4.76 2.87 0.87 -5.08 2.01 -1.26 -4.57 115.64 105.71 3n3k s THR 777 Ca 0.53 -0.72 -0.13 0.00 0.31 0.00 0.00 61.69 61.67 3n3k s THR 777 Cb 0.42 -2.20 0.13 0.00 0.01 0.00 0.00 72.50 70.86 3n3k s THR 777 CO -0.01 0.53 1.23 -0.83 -0.69 0.00 0.00 174.62 174.85 3n3k s GLY 778 N 0.44 1.67 -0.16 4.40 0.00 -0.07 -4.94 107.32 108.66 3n3k s GLY 778 Ca -0.11 -0.89 -0.00 0.00 0.00 0.00 0.00 44.72 43.71 3n3k s GLY 778 CO 0.05 -0.29 -0.05 1.08 0.00 0.00 0.00 173.10 173.89 3n3k s LEU 779 N -5.69 1.60 0.05 0.66 1.43 0.92 -2.50 118.68 115.16 3n3k s LEU 779 Ca 0.67 -0.66 -0.34 0.00 -1.03 0.00 0.00 54.13 52.77 3n3k s LEU 779 Cb -0.08 -0.91 -0.13 0.00 0.03 0.00 0.00 46.19 45.10 3n3k s LEU 779 CO 0.50 -0.18 1.71 -1.14 0.23 0.00 0.00 176.35 177.47 3n3k n ARG 780 N 4.88 2.17 -1.93 1.70 0.63 0.11 -1.69 116.66 122.53 3n3k n ARG 780 Ca -0.12 0.79 -0.42 0.00 -0.92 0.00 0.00 57.85 57.18 3n3k n ARG 780 Cb 0.48 -2.59 -0.03 0.00 0.45 0.00 0.00 32.46 30.77 3n3k n ARG 780 CO 0.00 0.00 0.00 1.21 -2.51 0.00 0.00 177.63 176.33 3n3k s ASN 781 N 2.29 6.60 0.00 6.15 3.84 -1.26 -4.64 114.94 127.92 3n3k s ASN 781 Ca 0.85 2.55 0.19 0.00 0.21 0.00 0.00 52.86 56.66 3n3k s ASN 781 Cb -0.68 -2.58 0.53 0.00 -0.55 0.00 0.00 41.25 37.97 3n3k s ASN 781 CO 0.44 -0.85 1.44 0.18 -2.79 0.00 0.00 177.10 175.51 3n3k n LEU 782 N 4.80 3.09 0.00 3.21 4.77 -1.26 -4.91 117.00 126.70 3n3k n LEU 782 Ca 0.15 -1.49 0.00 0.00 -0.03 0.00 0.00 56.01 54.64 3n3k n LEU 782 Cb 0.40 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 3n3k n LEU 782 CO 0.62 0.75 0.00 0.61 -1.33 0.00 0.00 177.39 178.04 3n3k n GLY 783 N 1.43 0.97 2.66 -0.72 0.00 -1.26 -4.85 105.19 103.41 3n3k n GLY 783 Ca 0.19 -0.67 -0.21 0.00 0.00 0.00 0.00 46.02 45.34 3n3k n GLY 783 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3n3k n ASN 784 N 0.00 -5.76 -1.73 1.61 3.02 -1.26 -4.57 115.26 106.57 3n3k n ASN 784 Ca 0.00 -0.11 0.08 0.00 -0.03 0.00 0.00 54.58 54.52 3n3k n ASN 784 Cb 0.00 -4.74 0.38 0.00 -0.61 0.00 0.00 39.78 34.81 3n3k n ASN 784 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3n3k n THR 785 N -4.14 2.55 0.26 3.41 -2.24 -1.26 -4.18 114.28 108.69 3n3k n THR 785 Ca -0.18 -1.42 0.10 0.00 -2.27 0.00 0.00 64.05 60.28 3n3k n THR 785 Cb 0.65 -0.20 0.70 0.00 -2.10 0.00 0.00 70.33 69.39 3n3k n THR 785 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3n3k h TYR 787 N 0.00 0.74 -0.26 0.00 -0.00 -1.86 0.62 116.97 116.21 3n3k h TYR 787 Ca -0.00 0.03 -0.11 0.00 0.00 0.00 0.00 58.73 58.65 3n3k h TYR 787 Cb 0.17 -0.23 -0.00 0.00 0.00 0.00 0.00 36.73 36.67 3n3k h TYR 787 CO 0.00 0.35 -0.25 1.98 -0.00 0.00 0.00 178.16 180.24 3n3k h MET 788 N 0.73 0.63 -0.43 0.10 4.05 -1.56 -2.93 114.93 115.53 3n3k h MET 788 Ca 0.32 -0.33 -0.11 0.00 -0.28 0.00 0.00 59.70 59.31 3n3k h MET 788 Cb 0.21 0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 31.00 3n3k h MET 788 CO -0.19 0.93 -0.16 -0.91 0.23 0.00 0.00 176.91 176.81 3n3k h ASN 789 N 0.35 0.81 -0.03 1.39 2.35 -1.00 -1.74 115.58 117.70 3n3k h ASN 789 Ca 0.04 -0.27 0.00 0.00 -0.55 0.00 0.00 56.30 55.52 3n3k h ASN 789 Cb 0.81 -0.22 -0.00 0.00 0.05 0.00 0.00 38.32 38.96 3n3k h ASN 789 CO 0.06 0.97 0.02 -1.28 -1.65 0.00 0.00 177.43 175.56 3n3k h SER 790 N 0.72 0.04 -0.09 5.81 0.87 -0.89 -1.60 113.55 118.41 3n3k h SER 790 Ca 0.11 -0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.65 3n3k h SER 790 Cb 0.67 -0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 62.61 3n3k h SER 790 CO 0.05 0.04 0.03 0.40 -0.53 0.00 0.00 176.83 176.83 3n3k h ILE 791 N 0.03 1.15 -0.55 2.23 1.08 -1.41 -2.56 117.51 117.49 3n3k h ILE 791 Ca 0.01 -0.45 0.08 0.00 -0.39 0.00 0.00 64.86 64.11 3n3k h ILE 791 Cb 0.01 1.29 -0.07 0.00 -3.07 0.00 0.00 36.82 34.98 3n3k h ILE 791 CO -0.00 0.13 0.18 -0.07 -0.69 0.00 0.00 178.15 177.70 3n3k h LEU 792 N -0.02 0.15 -0.24 1.44 3.38 -1.23 -0.02 115.31 118.77 3n3k h LEU 792 Ca 0.03 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 3n3k h LEU 792 Cb 0.18 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 3n3k h LEU 792 CO -0.00 0.10 0.12 1.56 0.09 0.00 0.00 178.44 180.31 3n3k h GLN 793 N 0.34 0.34 -0.25 1.13 1.08 -1.24 -0.75 115.11 115.75 3n3k h GLN 793 Ca 0.27 -0.05 -0.00 0.00 -1.45 0.00 0.00 58.65 57.43 3n3k h GLN 793 Cb 0.33 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.69 3n3k h GLN 793 CO -0.30 0.33 0.16 0.00 -0.95 0.00 0.00 178.83 178.07 3n3k h LEU 795 N 0.32 0.00 -1.58 0.00 3.38 -0.94 -2.64 115.31 113.85 3n3k h LEU 795 Ca 0.09 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.01 3n3k h LEU 795 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3n3k h LEU 795 CO -0.02 0.25 -0.22 0.00 0.09 0.00 0.00 178.44 178.54 3n3k n ASN 797 N -4.10 2.66 -4.75 0.00 3.02 -1.01 -4.62 115.26 106.47 3n3k n ASN 797 Ca -0.02 -1.86 -0.41 0.00 -0.03 0.00 0.00 54.58 52.25 3n3k n ASN 797 Cb 0.29 -0.11 -0.02 0.00 -0.61 0.00 0.00 39.78 39.34 3n3k n ASN 797 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3n3k s ALA 798 N -1.79 3.69 0.19 5.41 0.00 -0.78 -4.90 121.76 123.58 3n3k s ALA 798 Ca 0.34 1.52 -0.33 0.00 0.00 0.00 0.00 51.96 53.49 3n3k s ALA 798 Cb 0.21 -3.62 -0.14 0.00 0.00 0.00 0.00 23.12 19.56 3n3k s ALA 798 CO 0.30 -0.94 1.48 -2.30 0.00 0.00 0.00 175.76 174.30 3n3k n PRO 799 N 1.93 1.99 0.00 0.00 -0.02 -1.26 -3.21 135.00 134.43 3n3k n PRO 799 Ca 0.07 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 3n3k n PRO 799 Cb 0.38 -2.42 0.00 0.00 -0.02 0.00 0.00 33.50 31.44 3n3k n PRO 799 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3n3k n HIS 800 N 2.68 0.00 0.00 6.00 8.25 -1.26 -4.79 115.22 126.10 3n3k n HIS 800 Ca 0.15 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.49 3n3k n HIS 800 Cb 0.29 -0.03 -0.08 0.00 1.12 0.00 0.00 29.99 31.29 3n3k n HIS 800 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 3n3k h LEU 801 N 0.00 0.05 -0.94 2.41 5.85 -1.89 -1.25 115.31 119.54 3n3k h LEU 801 Ca 0.00 -0.22 -0.07 0.00 0.84 0.00 0.00 57.88 58.42 3n3k h LEU 801 Cb 0.00 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 3n3k h LEU 801 CO 0.00 0.26 -0.01 0.00 -0.34 0.00 0.00 178.44 178.35 3n3k h ALA 802 N 0.79 1.12 -0.74 1.25 0.00 -1.82 -2.56 119.26 117.31 3n3k h ALA 802 Ca 0.01 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 3n3k h ALA 802 Cb 0.23 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 3n3k h ALA 802 CO 0.00 0.56 0.39 0.22 0.00 0.00 0.00 179.25 180.42 3n3k h ASP 803 N 0.71 0.93 -0.70 0.00 3.58 -1.84 0.17 116.42 119.27 3n3k h ASP 803 Ca 0.14 -0.08 0.01 0.00 0.42 0.00 0.00 57.03 57.51 3n3k h ASP 803 Cb 0.45 -0.24 -0.03 0.00 1.72 0.00 0.00 39.33 41.23 3n3k h ASP 803 CO 0.02 0.76 0.46 0.22 -2.88 0.00 0.00 179.24 177.82 3n3k h TYR 804 N 1.04 0.89 0.10 0.28 3.20 -0.81 -1.33 116.97 120.34 3n3k h TYR 804 Ca 0.26 0.02 -0.29 0.00 3.14 0.00 0.00 58.73 61.86 3n3k h TYR 804 Cb 0.05 -0.30 -0.01 0.00 1.54 0.00 0.00 36.73 38.01 3n3k h TYR 804 CO 0.01 0.56 -1.46 0.74 -1.64 0.00 0.00 178.16 176.37 3n3k h PHE 805 N 0.96 0.38 -0.51 -3.82 0.04 -1.31 -2.48 116.94 110.18 3n3k h PHE 805 Ca 0.26 -0.28 -0.06 0.00 2.80 0.00 0.00 57.97 60.70 3n3k h PHE 805 Cb -0.10 -0.02 -0.02 0.00 2.20 0.00 0.00 35.95 38.01 3n3k h PHE 805 CO 0.00 1.30 0.09 -0.91 -0.60 0.00 0.00 178.31 178.19 3n3k h ASN 806 N 0.06 0.75 -0.36 2.17 -0.26 -0.38 -2.64 115.58 114.92 3n3k h ASN 806 Ca -0.21 -0.15 0.00 0.00 -0.56 0.00 0.00 56.30 55.38 3n3k h ASN 806 Cb 1.99 -0.20 0.00 0.00 -1.06 0.00 0.00 38.32 39.05 3n3k h ASN 806 CO 0.16 0.77 0.00 0.54 -1.06 0.00 0.00 177.43 177.83 3n3k n ARG 807 N -4.26 2.08 -1.68 0.81 1.74 -0.53 -4.92 116.66 109.90 3n3k n ARG 807 Ca 0.03 -1.41 -0.14 0.00 -0.77 0.00 0.00 57.85 55.57 3n3k n ARG 807 Cb 0.25 -1.40 -0.04 0.00 -1.02 0.00 0.00 32.46 30.24 3n3k n ARG 807 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3n3k n ASN 808 N 0.56 -3.79 0.31 0.55 5.03 -0.99 -4.82 115.26 112.09 3n3k n ASN 808 Ca 0.13 0.29 0.18 0.00 0.87 0.00 0.00 54.58 56.05 3n3k n ASN 808 Cb 0.39 -3.43 0.98 0.00 -1.02 0.00 0.00 39.78 36.71 3n3k n ASN 808 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3n3k h TYR 810 N 0.00 0.00 -0.82 0.00 -0.00 -1.87 -3.23 116.97 111.05 3n3k h TYR 810 Ca -0.00 0.00 -0.04 0.00 0.00 0.00 0.00 58.73 58.69 3n3k h TYR 810 Cb 0.10 0.00 -0.04 0.00 0.00 0.00 0.00 36.73 36.79 3n3k h TYR 810 CO 0.00 0.00 0.36 1.96 -0.00 0.00 0.00 178.16 180.48 3n3k h GLN 811 N 0.00 1.20 0.00 0.10 1.08 -1.85 -2.08 115.11 113.56 3n3k h GLN 811 Ca 0.00 -0.20 0.00 0.00 -1.45 0.00 0.00 58.65 57.00 3n3k h GLN 811 Cb 0.66 -0.21 0.00 0.00 -0.05 0.00 0.00 27.48 27.88 3n3k h GLN 811 CO 0.00 0.95 0.00 -0.25 -0.95 0.00 0.00 178.83 178.58 3n3k n ASP 812 N -4.30 0.00 -0.00 1.46 8.00 -1.22 -3.24 116.55 117.25 3n3k n ASP 812 Ca 0.08 -0.54 0.01 0.00 0.71 0.00 0.00 54.79 55.04 3n3k n ASP 812 Cb 0.16 -0.09 -0.01 0.00 -0.02 0.00 0.00 41.12 41.16 3n3k n ASP 812 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3n3k n ASP 813 N -1.09 1.93 -4.68 -2.24 8.00 -0.85 -5.03 116.55 112.58 3n3k n ASP 813 Ca 0.16 -0.32 -0.44 0.00 0.71 0.00 0.00 54.79 54.90 3n3k n ASP 813 Cb 0.12 1.03 -0.04 0.00 -0.02 0.00 0.00 41.12 42.21 3n3k n ASP 813 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 3n3k n ILE 814 N -1.26 0.39 -3.72 0.53 5.41 -0.84 -4.27 119.36 115.61 3n3k n ILE 814 Ca 0.00 -0.07 -0.37 0.00 1.00 0.00 0.00 62.75 63.31 3n3k n ILE 814 Cb 0.04 -2.00 -0.10 0.00 -0.71 0.00 0.00 39.64 36.86 3n3k n ILE 814 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 176.55 176.76 3n3k s ASN 815 N 2.90 5.33 0.30 4.38 3.84 0.12 -4.94 114.94 126.87 3n3k s ASN 815 Ca 0.84 -2.37 0.22 0.00 0.21 0.00 0.00 52.86 51.76 3n3k s ASN 815 Cb -0.55 -1.87 0.14 0.00 -0.55 0.00 0.00 41.25 38.42 3n3k s ASN 815 CO 0.41 -0.49 1.31 0.03 -2.79 0.00 0.00 177.10 175.56 3n3k h ARG 816 N 7.67 0.00 -0.01 0.43 3.08 -1.86 -3.32 114.38 120.38 3n3k h ARG 816 Ca -0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.96 3n3k h ARG 816 Cb 1.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.06 3n3k h ARG 816 CO 0.72 0.06 -0.62 -1.13 -1.07 0.00 0.00 179.97 177.94 3n3k n SER 817 N -2.92 1.15 -4.63 7.04 3.41 -1.26 -4.16 113.62 112.25 3n3k n SER 817 Ca 0.01 -0.94 -0.43 0.00 -0.26 0.00 0.00 58.87 57.26 3n3k n SER 817 Cb 0.58 0.54 -0.03 0.00 -0.26 0.00 0.00 64.21 65.04 3n3k n SER 817 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 3n3k s ASN 818 N -2.78 6.17 0.36 4.04 2.47 -1.25 -4.87 114.94 119.09 3n3k s ASN 818 Ca 0.14 1.78 0.27 0.00 0.42 0.00 0.00 52.86 55.47 3n3k s ASN 818 Cb 0.17 -2.53 1.20 0.00 -1.45 0.00 0.00 41.25 38.64 3n3k s ASN 818 CO 0.69 -1.40 1.81 -0.07 -3.72 0.00 0.00 177.10 174.41 3n3k h LEU 819 N 12.37 0.00 0.00 3.21 3.38 -1.91 -0.54 115.31 131.82 3n3k h LEU 819 Ca -0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.60 3n3k h LEU 819 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 3n3k h LEU 819 CO 0.99 0.00 -0.30 0.18 0.09 0.00 0.00 178.44 179.40 3n3k n LEU 820 N -2.49 0.76 0.00 1.67 4.32 -1.26 -4.91 117.00 115.08 3n3k n LEU 820 Ca 0.01 0.40 0.00 0.00 -0.02 0.00 0.00 56.01 56.40 3n3k n LEU 820 Cb 0.21 -0.25 0.00 0.00 -1.62 0.00 0.00 43.42 41.75 3n3k n LEU 820 CO 0.20 -0.12 0.00 0.61 -1.22 0.00 0.00 177.39 176.86 3n3k n GLY 821 N 1.32 2.20 1.75 -0.72 0.00 -0.21 -4.86 105.19 104.68 3n3k n GLY 821 Ca 0.04 -2.01 0.00 0.00 0.00 0.00 0.00 46.02 44.05 3n3k n GLY 821 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3n3k n HIS 822 N 0.00 0.65 -1.17 1.61 8.25 -1.26 -4.97 115.22 118.33 3n3k n HIS 822 Ca 0.00 -1.32 -0.06 0.00 -0.26 0.00 0.00 57.72 56.08 3n3k n HIS 822 Cb 0.00 -0.21 -0.03 0.00 1.12 0.00 0.00 29.99 30.87 3n3k n HIS 822 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3n3k n LYS 823 N -0.23 -1.10 -0.06 -0.41 5.02 -1.26 -2.28 118.16 117.85 3n3k n LYS 823 Ca 0.13 0.61 0.00 0.00 -2.02 0.00 0.00 58.31 57.03 3n3k n LYS 823 Cb 0.95 -4.60 0.00 0.00 -0.02 0.00 0.00 35.03 31.36 3n3k n LYS 823 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3n3k n GLY 824 N -0.89 0.57 0.18 0.72 0.00 -1.26 -4.61 105.19 99.89 3n3k n GLY 824 Ca -0.06 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.91 3n3k n GLY 824 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3n3k h GLU 825 N 3.93 0.35 0.08 1.61 5.08 -1.86 0.21 114.58 123.98 3n3k h GLU 825 Ca 0.00 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3n3k h GLU 825 Cb 0.00 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.17 3n3k h GLU 825 CO 0.00 0.23 -0.04 0.28 -1.00 0.00 0.00 179.01 178.49 3n3k h VAL 826 N 0.36 1.03 -0.34 3.13 2.07 -1.91 -0.90 116.25 119.69 3n3k h VAL 826 Ca 0.19 -0.37 0.06 0.00 0.82 0.00 0.00 66.70 67.40 3n3k h VAL 826 Cb 0.14 1.27 -0.06 0.00 -1.52 0.00 0.00 31.29 31.12 3n3k h VAL 826 CO -0.16 0.09 -0.01 0.00 0.02 0.00 0.00 177.57 177.51 3n3k h ALA 827 N 0.64 0.30 -0.49 1.67 0.00 -1.79 -0.10 119.26 119.50 3n3k h ALA 827 Ca -0.01 0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 3n3k h ALA 827 Cb 0.23 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 3n3k h ALA 827 CO 0.02 -0.41 0.17 0.93 0.00 0.00 0.00 179.25 179.96 3n3k h GLU 828 N 0.09 0.75 -0.16 0.00 5.08 -0.45 0.14 114.58 120.03 3n3k h GLU 828 Ca 0.17 -0.16 -0.19 0.00 -1.00 0.00 0.00 59.36 58.18 3n3k h GLU 828 Cb 0.23 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.37 3n3k h GLU 828 CO -0.29 0.70 -0.68 0.93 -1.00 0.00 0.00 179.01 178.68 3n3k h GLU 829 N 0.66 0.65 -0.59 2.33 4.39 -1.04 -2.03 114.58 118.96 3n3k h GLU 829 Ca 0.16 -0.48 -0.10 0.00 0.34 0.00 0.00 59.36 59.28 3n3k h GLU 829 Cb 0.25 0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.96 3n3k h GLU 829 CO -0.01 1.10 -0.02 0.35 -1.16 0.00 0.00 179.01 179.28 3n3k h PHE 830 N 0.47 1.13 -0.73 4.33 3.57 -0.95 -2.50 116.94 122.26 3n3k h PHE 830 Ca -0.02 -0.20 0.02 0.00 3.53 0.00 0.00 57.97 61.30 3n3k h PHE 830 Cb 1.27 -0.29 -0.04 0.00 2.79 0.00 0.00 35.95 39.67 3n3k h PHE 830 CO 0.06 1.01 0.47 0.78 -2.23 0.00 0.00 178.31 178.40 3n3k h GLY 831 N 0.99 1.04 0.97 2.40 0.00 -0.86 0.17 103.07 107.77 3n3k h GLY 831 Ca 0.17 -0.36 -0.01 0.00 0.00 0.00 0.00 47.33 47.12 3n3k h GLY 831 CO 0.03 0.33 0.23 -2.22 0.00 0.00 0.00 176.54 174.92 3n3k h ILE 832 N 0.94 1.17 -0.19 2.60 2.04 -1.23 0.10 117.51 122.94 3n3k h ILE 832 Ca 0.28 -0.47 0.02 0.00 1.00 0.00 0.00 64.86 65.69 3n3k h ILE 832 Cb -0.05 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 36.67 3n3k h ILE 832 CO -0.08 0.19 0.07 0.40 0.00 0.00 0.00 178.15 178.72 3n3k h ILE 833 N 0.59 0.97 -0.18 -0.67 1.08 -1.18 -1.47 117.51 116.64 3n3k h ILE 833 Ca 0.16 -0.06 0.02 0.00 -0.39 0.00 0.00 64.86 64.59 3n3k h ILE 833 Cb 0.09 0.78 -0.02 0.00 -3.07 0.00 0.00 36.82 34.60 3n3k h ILE 833 CO -0.02 0.03 0.04 0.24 -0.69 0.00 0.00 178.15 177.75 3n3k h MET 834 N 0.17 0.12 -0.08 2.37 2.86 -0.56 -0.58 114.93 119.23 3n3k h MET 834 Ca 0.08 -0.01 0.02 0.00 -2.06 0.00 0.00 59.70 57.73 3n3k h MET 834 Cb 0.04 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.66 3n3k h MET 834 CO -0.07 0.08 -0.03 0.87 1.06 0.00 0.00 176.91 178.81 3n3k h LYS 835 N 0.12 -0.02 -0.74 1.72 1.57 -0.69 -2.09 116.57 116.45 3n3k h LYS 835 Ca 0.08 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.88 3n3k h LYS 835 Cb 0.07 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.34 3n3k h LYS 835 CO -0.10 -0.01 0.48 0.00 -0.57 0.00 0.00 179.45 179.25 3n3k h ALA 836 N 1.06 0.95 -0.18 3.86 0.00 -0.99 -1.55 119.26 122.40 3n3k h ALA 836 Ca 0.04 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 3n3k h ALA 836 Cb 0.08 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3n3k h ALA 836 CO -0.09 0.33 -0.16 -0.07 0.00 0.00 0.00 179.25 179.27 3n3k h LEU 837 N 0.98 0.29 0.00 0.00 3.38 -0.85 -3.20 115.31 115.90 3n3k h LEU 837 Ca 0.28 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.18 3n3k h LEU 837 Cb -0.08 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.59 3n3k h LEU 837 CO -0.07 0.47 -0.67 0.79 0.09 0.00 0.00 178.44 179.05 3n3k n TRP 838 N -4.23 0.16 -0.18 1.13 7.02 -0.78 -0.86 117.44 119.69 3n3k n TRP 838 Ca -0.00 0.05 -0.10 0.00 -1.02 0.00 0.00 57.50 56.42 3n3k n TRP 838 Cb 0.30 -0.34 0.01 0.00 -2.42 0.00 0.00 31.31 28.86 3n3k n TRP 838 CO 0.00 0.00 0.00 1.79 -2.02 0.00 0.00 177.69 177.46 3n3k h THR 839 N 0.00 1.27 0.00 -0.99 1.35 -1.30 -3.39 112.91 109.85 3n3k h THR 839 Ca 0.00 -1.28 0.00 0.00 -0.55 0.00 0.00 66.41 64.58 3n3k h THR 839 Cb 0.59 0.98 0.00 0.00 -1.73 0.00 0.00 68.15 67.99 3n3k h THR 839 CO 0.00 0.45 0.00 0.61 -0.25 0.00 0.00 175.52 176.33 3n3k n GLY 840 N -0.25 0.65 0.09 5.82 0.00 -1.26 -4.56 105.19 105.69 3n3k n GLY 840 Ca 0.01 -0.12 -0.12 0.00 0.00 0.00 0.00 46.02 45.79 3n3k n GLY 840 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3n3k h GLN 841 N 1.66 0.12 -5.64 1.61 4.20 -1.85 -3.33 115.11 111.88 3n3k h GLN 841 Ca 0.00 -0.21 -0.66 0.00 0.06 0.00 0.00 58.65 57.84 3n3k h GLN 841 Cb 0.00 0.08 -0.11 0.00 0.30 0.00 0.00 27.48 27.75 3n3k h GLN 841 CO 0.00 1.00 -0.53 0.71 -0.67 0.00 0.00 178.83 179.35 3n3k s TYR 842 N -2.66 3.43 0.09 2.96 2.02 -1.26 -0.46 117.35 121.47 3n3k s TYR 842 Ca -0.04 0.37 -0.15 0.00 -0.37 0.00 0.00 57.07 56.89 3n3k s TYR 842 Cb 0.08 -1.94 -0.13 0.00 -0.40 0.00 0.00 41.96 39.57 3n3k s TYR 842 CO 0.84 0.56 1.34 0.00 -1.57 0.00 0.00 175.55 176.72 3n3k h ARG 843 N 5.40 0.69 -3.21 -0.62 3.08 -0.67 -3.36 114.38 115.69 3n3k h ARG 843 Ca -0.50 -0.46 -0.01 0.00 0.07 0.00 0.00 59.98 59.08 3n3k h ARG 843 Cb 1.21 0.06 -0.09 0.00 0.08 0.00 0.00 29.97 31.22 3n3k h ARG 843 CO 0.60 1.08 0.09 1.52 -1.07 0.00 0.00 179.97 182.20 3n3k s TYR 844 N -4.02 -0.19 0.21 3.04 -0.85 -1.20 -0.89 117.35 113.45 3n3k s TYR 844 Ca -0.12 -0.15 0.01 0.00 -0.52 0.00 0.00 57.07 56.28 3n3k s TYR 844 Cb 0.08 0.47 -0.05 0.00 0.38 0.00 0.00 41.96 42.84 3n3k s TYR 844 CO 0.85 -0.96 0.08 0.96 -1.52 0.00 0.00 175.55 174.96 3n3k s ILE 845 N -3.86 0.40 -0.29 -3.49 -4.36 -1.04 -1.36 121.20 107.20 3n3k s ILE 845 Ca 0.08 -1.99 -0.05 0.00 -0.26 0.00 0.00 60.65 58.44 3n3k s ILE 845 Cb -0.02 -2.43 0.02 0.00 1.25 0.00 0.00 42.46 41.28 3n3k s ILE 845 CO -0.03 -0.15 0.04 -0.44 0.24 0.00 0.00 174.94 174.61 3n3k s SER 846 N -3.22 4.93 -0.75 4.36 0.01 0.81 0.09 113.70 119.94 3n3k s SER 846 Ca 0.34 -0.86 -0.07 0.00 1.31 0.00 0.00 55.95 56.67 3n3k s SER 846 Cb 0.07 -1.81 -0.15 0.00 0.21 0.00 0.00 66.02 64.34 3n3k s SER 846 CO 0.10 -0.20 2.92 -0.81 0.41 0.00 0.00 173.24 175.66 3n3k n PRO 847 N 4.79 2.51 0.43 12.44 -0.04 -1.26 -4.34 135.00 149.53 3n3k n PRO 847 Ca -0.15 -1.45 -0.18 0.00 -0.04 0.00 0.00 63.50 61.68 3n3k n PRO 847 Cb 0.47 -2.34 -0.09 0.00 -0.04 0.00 0.00 33.50 31.50 3n3k n PRO 847 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 3n3k h LYS 848 N 4.49 -1.05 0.00 0.54 3.64 -1.92 -0.86 116.57 121.42 3n3k h LYS 848 Ca 0.48 0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.92 3n3k h LYS 848 Cb 0.73 0.24 -0.00 0.00 -0.41 0.00 0.00 32.23 32.79 3n3k h LYS 848 CO 1.02 -0.69 -0.07 -0.44 -2.27 0.00 0.00 179.45 177.00 3n3k h ASP 849 N -1.20 0.00 -0.15 4.20 3.32 -1.82 -2.50 116.42 118.27 3n3k h ASP 849 Ca -0.11 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.90 3n3k h ASP 849 Cb 0.85 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.40 3n3k h ASP 849 CO 0.18 0.07 -0.07 0.15 -1.72 0.00 0.00 179.24 177.85 3n3k h PHE 850 N 0.00 0.36 -0.36 4.55 3.57 -1.83 -1.63 116.94 121.60 3n3k h PHE 850 Ca -0.00 -0.09 0.06 0.00 3.53 0.00 0.00 57.97 61.47 3n3k h PHE 850 Cb 0.12 -0.08 -0.05 0.00 2.79 0.00 0.00 35.95 38.73 3n3k h PHE 850 CO 0.00 0.64 0.04 -0.22 -2.23 0.00 0.00 178.31 176.53 3n3k h LYS 851 N -0.02 0.14 -0.35 1.11 1.63 -0.77 -1.85 116.57 116.45 3n3k h LYS 851 Ca 0.03 -0.01 0.03 0.00 -0.85 0.00 0.00 60.65 59.85 3n3k h LYS 851 Cb 0.54 -0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 32.11 3n3k h LYS 851 CO 0.02 0.09 0.17 0.82 -3.45 0.00 0.00 179.45 177.11 3n3k h ILE 852 N 0.14 0.98 -0.48 2.00 2.04 -1.45 -2.20 117.51 118.54 3n3k h ILE 852 Ca 0.17 -0.12 0.01 0.00 1.00 0.00 0.00 64.86 65.92 3n3k h ILE 852 Cb 0.22 0.59 -0.03 0.00 -0.74 0.00 0.00 36.82 36.86 3n3k h ILE 852 CO -0.26 0.07 0.30 0.74 0.00 0.00 0.00 178.15 178.99 3n3k h THR 853 N 0.36 1.08 0.00 -0.27 2.02 -0.87 -2.31 112.91 112.92 3n3k h THR 853 Ca 0.15 -0.21 -0.01 0.00 0.77 0.00 0.00 66.41 67.11 3n3k h THR 853 Cb 0.06 0.43 -0.00 0.00 -1.74 0.00 0.00 68.15 66.90 3n3k h THR 853 CO -0.11 0.11 -0.04 0.16 0.37 0.00 0.00 175.52 176.01 3n3k h ILE 854 N 0.60 0.09 0.00 3.11 3.07 -1.26 -2.39 117.51 120.74 3n3k h ILE 854 Ca 0.18 -0.77 -0.02 0.00 1.55 0.00 0.00 64.86 65.81 3n3k h ILE 854 Cb -0.03 1.71 -0.00 0.00 -0.27 0.00 0.00 36.82 38.23 3n3k h ILE 854 CO -0.06 0.04 -0.07 1.23 -1.05 0.00 0.00 178.15 178.24 3n3k h GLY 855 N 2.64 0.00 1.87 0.16 0.00 -0.83 -2.61 103.07 104.31 3n3k h GLY 855 Ca -0.00 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.28 3n3k h GLY 855 CO 0.01 0.00 -0.32 0.50 0.00 0.00 0.00 176.54 176.72 3n3k h LYS 856 N 0.00 0.00 0.00 4.80 1.57 -1.23 -3.14 116.57 118.57 3n3k h LYS 856 Ca -0.00 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.67 3n3k h LYS 856 Cb 0.50 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.79 3n3k h LYS 856 CO 0.01 0.19 -0.98 0.82 -0.57 0.00 0.00 179.45 178.92 3n3k h ILE 857 N 0.00 0.50 -0.86 1.86 2.04 -1.51 -3.45 117.51 116.09 3n3k h ILE 857 Ca -0.01 -1.84 0.13 0.00 1.00 0.00 0.00 64.86 64.14 3n3k h ILE 857 Cb 1.16 2.06 -0.21 0.00 -0.74 0.00 0.00 36.82 39.10 3n3k h ILE 857 CO 0.03 0.28 -0.15 0.21 0.00 0.00 0.00 178.15 178.52 3n3k s ASN 858 N -5.95 -1.12 0.00 1.72 2.47 -1.01 -5.05 114.94 106.00 3n3k s ASN 858 Ca 0.00 0.75 0.12 0.00 0.42 0.00 0.00 52.86 54.15 3n3k s ASN 858 Cb 0.08 1.96 0.56 0.00 -1.45 0.00 0.00 41.25 42.40 3n3k s ASN 858 CO 0.78 -0.21 1.37 -0.90 -3.72 0.00 0.00 177.10 174.42 3n3k n ASP 859 N 5.43 0.00 0.15 -4.21 5.68 -1.19 -1.24 116.55 121.18 3n3k n ASP 859 Ca -0.03 0.36 0.13 0.00 -0.50 0.00 0.00 54.79 54.75 3n3k n ASP 859 Cb 0.52 -0.42 0.49 0.00 -1.14 0.00 0.00 41.12 40.57 3n3k n ASP 859 CO 0.00 0.00 0.00 0.06 -1.33 0.00 0.00 177.20 175.93 3n3k h GLN 860 N 0.00 0.00 -0.01 0.11 3.07 -1.93 -2.23 115.11 114.12 3n3k h GLN 860 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 3n3k h GLN 860 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.74 3n3k h GLN 860 CO 0.00 0.00 -0.39 1.19 0.09 0.00 0.00 178.83 179.72 3n3k n PHE 861 N -2.43 0.00 0.32 0.06 3.72 -0.37 -4.01 117.46 114.76 3n3k n PHE 861 Ca 0.03 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.55 3n3k n PHE 861 Cb 0.30 -0.11 0.16 0.00 -0.94 0.00 0.00 39.48 38.88 3n3k n PHE 861 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3n3k h ALA 862 N 3.56 0.77 -3.02 4.37 0.00 -1.49 -3.40 119.26 120.05 3n3k h ALA 862 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3n3k h ALA 862 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.34 3n3k h ALA 862 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 3n3k n GLY 863 N 1.21 -0.11 0.60 0.00 0.00 -1.23 -5.04 105.19 100.62 3n3k n GLY 863 Ca 0.03 -1.74 0.04 0.00 0.00 0.00 0.00 46.02 44.35 3n3k n GLY 863 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3n3k n TYR 864 N -0.12 0.00 -4.10 1.61 4.01 -1.26 -5.05 117.16 112.25 3n3k n TYR 864 Ca 0.00 -0.51 -0.23 0.00 -0.16 0.00 0.00 57.90 57.00 3n3k n TYR 864 Cb 0.00 -0.12 -0.04 0.00 -0.31 0.00 0.00 39.34 38.87 3n3k n TYR 864 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 3n3k s SER 865 N -1.91 5.58 0.21 7.72 1.04 -1.26 -4.46 113.70 120.63 3n3k s SER 865 Ca 0.19 -0.20 -0.32 0.00 0.48 0.00 0.00 55.95 56.09 3n3k s SER 865 Cb 0.19 -1.45 -0.14 0.00 0.10 0.00 0.00 66.02 64.72 3n3k s SER 865 CO -0.03 -0.02 1.42 0.00 0.98 0.00 0.00 173.24 175.59 3n3k n GLN 866 N -1.04 1.96 -4.44 4.02 1.13 -1.26 -4.85 117.38 112.89 3n3k n GLN 866 Ca -0.08 0.70 -0.22 0.00 -1.94 0.00 0.00 57.00 55.46 3n3k n GLN 866 Cb 0.57 -2.37 -0.10 0.00 0.11 0.00 0.00 30.24 28.45 3n3k n GLN 866 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 3n3k s GLN 867 N -0.10 1.58 -0.20 -1.09 -1.52 -1.26 -4.89 119.66 112.17 3n3k s GLN 867 Ca 0.71 -1.77 -0.29 0.00 -1.95 0.00 0.00 55.36 52.07 3n3k s GLN 867 Cb -0.68 -1.38 -0.01 0.00 -0.22 0.00 0.00 33.01 30.71 3n3k s GLN 867 CO 0.47 0.15 1.31 0.34 -0.25 0.00 0.00 175.29 177.31 3n3k s ASP 868 N -3.46 6.83 0.48 5.90 2.15 -1.26 -4.77 116.67 122.53 3n3k s ASP 868 Ca 0.28 1.57 0.32 0.00 0.43 0.00 0.00 52.55 55.16 3n3k s ASP 868 Cb 0.01 -2.54 1.52 0.00 -0.30 0.00 0.00 42.92 41.60 3n3k s ASP 868 CO 0.12 -0.88 1.97 0.77 -0.17 0.00 0.00 175.17 176.98 3n3k h SER 869 N 8.69 0.00 -0.48 -0.34 4.64 -1.99 -2.06 113.55 122.02 3n3k h SER 869 Ca -0.27 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 60.97 3n3k h SER 869 Cb 1.11 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.18 3n3k h SER 869 CO 0.99 0.00 -0.02 -0.61 -0.87 0.00 0.00 176.83 176.32 3n3k h GLN 870 N 0.00 0.86 -0.48 4.77 -0.00 -1.94 -0.97 115.11 117.35 3n3k h GLN 870 Ca 0.00 -0.28 -0.09 0.00 -0.00 0.00 0.00 58.65 58.28 3n3k h GLN 870 Cb 0.28 -0.07 -0.02 0.00 0.00 0.00 0.00 27.48 27.67 3n3k h GLN 870 CO 0.00 0.91 -0.05 0.93 0.00 0.00 0.00 178.83 180.62 3n3k h GLU 871 N 0.71 0.83 -0.69 1.69 5.08 -1.78 -1.65 114.58 118.77 3n3k h GLU 871 Ca 0.13 -0.25 -0.05 0.00 -1.00 0.00 0.00 59.36 58.19 3n3k h GLU 871 Cb 0.54 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.68 3n3k h GLU 871 CO 0.03 0.86 0.24 1.25 -1.00 0.00 0.00 179.01 180.39 3n3k h LEU 872 N 0.76 0.97 -0.19 1.33 5.85 -1.44 -2.62 115.31 119.98 3n3k h LEU 872 Ca 0.14 -0.16 0.04 0.00 0.84 0.00 0.00 57.88 58.74 3n3k h LEU 872 Cb 0.53 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.27 3n3k h LEU 872 CO 0.03 0.89 -0.04 0.25 -0.34 0.00 0.00 178.44 179.22 3n3k h LEU 873 N 1.01 -0.16 -0.57 2.25 5.85 -0.54 -0.13 115.31 123.02 3n3k h LEU 873 Ca 0.23 0.06 0.05 0.00 0.84 0.00 0.00 57.88 59.05 3n3k h LEU 873 Cb 0.25 0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.34 3n3k h LEU 873 CO -0.01 -0.06 0.30 0.25 -0.34 0.00 0.00 178.44 178.58 3n3k h LEU 874 N 0.01 0.45 -0.12 2.25 5.85 -1.03 -1.24 115.31 121.47 3n3k h LEU 874 Ca 0.09 0.03 -0.17 0.00 0.84 0.00 0.00 57.88 58.67 3n3k h LEU 874 Cb 0.14 -0.06 0.01 0.00 0.37 0.00 0.00 40.66 41.12 3n3k h LEU 874 CO -0.19 0.30 -0.60 -0.26 -0.34 0.00 0.00 178.44 177.35 3n3k h PHE 875 N 0.58 0.84 0.25 1.25 -1.00 -1.25 -2.54 116.94 115.07 3n3k h PHE 875 Ca 0.25 -0.37 -0.01 0.00 2.81 0.00 0.00 57.97 60.65 3n3k h PHE 875 Cb 0.15 -0.13 0.00 0.00 3.61 0.00 0.00 35.95 39.58 3n3k h PHE 875 CO -0.09 1.17 -0.12 1.25 -1.61 0.00 0.00 178.31 178.90 3n3k h LEU 876 N 0.27 -0.29 -0.35 1.54 5.85 -0.88 0.31 115.31 121.76 3n3k h LEU 876 Ca -0.04 -0.07 0.02 0.00 0.84 0.00 0.00 57.88 58.63 3n3k h LEU 876 Cb 1.24 0.07 -0.03 0.00 0.37 0.00 0.00 40.66 42.31 3n3k h LEU 876 CO 0.12 -0.11 0.18 0.24 -0.34 0.00 0.00 178.44 178.54 3n3k h MET 877 N -0.45 0.37 -0.46 1.25 2.86 -1.31 0.40 114.93 117.58 3n3k h MET 877 Ca -0.03 -0.02 -0.09 0.00 -2.06 0.00 0.00 59.70 57.50 3n3k h MET 877 Cb 0.34 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.90 3n3k h MET 877 CO 0.06 0.24 -0.05 0.22 1.06 0.00 0.00 176.91 178.44 3n3k h ASP 878 N 0.38 0.83 0.20 1.22 1.82 -1.43 -1.48 116.42 117.96 3n3k h ASP 878 Ca 0.15 -0.33 -0.00 0.00 -0.39 0.00 0.00 57.03 56.45 3n3k h ASP 878 Cb 0.05 -0.23 -0.01 0.00 0.68 0.00 0.00 39.33 39.82 3n3k h ASP 878 CO -0.09 0.97 -0.13 1.23 -1.61 0.00 0.00 179.24 179.60 3n3k h GLY 879 N 0.68 -0.33 0.27 -0.78 0.00 0.11 -0.73 103.07 102.29 3n3k h GLY 879 Ca 0.12 0.15 0.09 0.00 0.00 0.00 0.00 47.33 47.69 3n3k h GLY 879 CO 0.03 -0.14 0.01 1.41 0.00 0.00 0.00 176.54 177.86 3n3k h LEU 880 N -0.33 -0.17 -0.02 3.11 3.38 -0.18 -1.96 115.31 119.13 3n3k h LEU 880 Ca -0.02 0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 3n3k h LEU 880 Cb 0.28 0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 3n3k h LEU 880 CO 0.01 -0.05 0.01 -0.74 0.09 0.00 0.00 178.44 177.77 3n3k h HIS 881 N 0.12 0.03 0.00 1.13 2.76 -0.92 -2.62 115.15 115.65 3n3k h HIS 881 Ca 0.23 -0.00 -0.09 0.00 -2.20 0.00 0.00 60.37 58.31 3n3k h HIS 881 Cb 0.33 -0.01 -0.01 0.00 1.55 0.00 0.00 27.41 29.27 3n3k h HIS 881 CO -0.29 0.08 -0.42 0.93 -1.30 0.00 0.00 177.93 176.93 3n3k h GLU 882 N -0.02 0.00 0.00 5.26 4.39 -0.97 -1.09 114.58 122.15 3n3k h GLU 882 Ca 0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.71 3n3k h GLU 882 Cb 0.05 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.70 3n3k h GLU 882 CO -0.00 0.42 0.00 -0.25 -1.16 0.00 0.00 179.01 178.02 3n3k n ASP 883 N -3.79 0.66 -0.08 1.42 8.00 -0.75 -3.31 116.55 118.69 3n3k n ASP 883 Ca -0.01 0.63 0.03 0.00 0.71 0.00 0.00 54.79 56.15 3n3k n ASP 883 Cb 0.49 -0.78 0.05 0.00 -0.02 0.00 0.00 41.12 40.85 3n3k n ASP 883 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3n3k n LEU 884 N -2.19 1.63 -4.70 0.64 4.77 -0.73 -0.70 117.00 115.72 3n3k n LEU 884 Ca 0.03 -1.99 -0.42 0.00 -0.03 0.00 0.00 56.01 53.60 3n3k n LEU 884 Cb 0.28 -0.15 -0.03 0.00 -2.33 0.00 0.00 43.42 41.19 3n3k n LEU 884 CO 0.22 0.48 0.95 0.21 -1.33 0.00 0.00 177.39 177.92 3n3k s ASN 885 N -1.50 7.01 0.00 -1.43 3.84 -0.49 -4.63 114.94 117.74 3n3k s ASN 885 Ca 0.11 2.01 0.22 0.00 0.21 0.00 0.00 52.86 55.41 3n3k s ASN 885 Cb 0.10 -2.57 -0.13 0.00 -0.55 0.00 0.00 41.25 38.09 3n3k s ASN 885 CO 0.01 -0.55 0.98 0.29 -2.79 0.00 0.00 177.10 175.03 3n3k n LYS 886 N 4.45 0.23 -2.20 0.43 5.02 0.57 -4.74 118.16 121.92 3n3k n LYS 886 Ca 0.10 -0.19 -0.35 0.00 -2.02 0.00 0.00 58.31 55.86 3n3k n LYS 886 Cb 0.45 -1.50 0.01 0.00 -0.02 0.00 0.00 35.03 33.98 3n3k n LYS 886 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3n3k s ALA 887 N -2.90 2.67 0.09 7.82 0.00 -1.26 -4.95 121.76 123.22 3n3k s ALA 887 Ca 0.10 0.80 -0.36 0.00 0.00 0.00 0.00 51.96 52.50 3n3k s ALA 887 Cb 0.17 -3.36 -0.18 0.00 0.00 0.00 0.00 23.12 19.75 3n3k s ALA 887 CO 0.80 -0.83 1.04 -3.47 0.00 0.00 0.00 175.76 173.30 3n3k n ASP 888 N -1.42 0.34 0.23 0.00 4.64 -1.26 -4.89 116.55 114.20 3n3k n ASP 888 Ca 0.11 1.14 0.11 0.00 -1.38 0.00 0.00 54.79 54.78 3n3k n ASP 888 Cb 0.51 -1.03 0.51 0.00 -1.04 0.00 0.00 41.12 40.06 3n3k n ASP 888 CO 0.00 0.00 0.00 0.78 -0.82 0.00 0.00 177.20 177.16 3n3k h ASN 889 N 2.99 0.00 -1.47 1.67 2.35 -1.95 -3.39 115.58 115.78 3n3k h ASN 889 Ca -0.45 0.00 -0.57 0.00 -0.55 0.00 0.00 56.30 54.73 3n3k h ASN 889 Cb 1.40 0.00 -0.09 0.00 0.05 0.00 0.00 38.32 39.68 3n3k h ASN 889 CO 0.67 0.18 1.35 -0.13 -1.65 0.00 0.00 177.43 177.85 3n3k s ARG 890 N -3.67 3.44 0.08 0.81 0.52 -1.26 -4.92 118.95 113.95 3n3k s ARG 890 Ca 0.01 -0.83 -0.27 0.00 -0.52 0.00 0.00 55.73 54.11 3n3k s ARG 890 Cb 0.10 -5.01 -0.06 0.00 0.52 0.00 0.00 34.95 30.51 3n3k s ARG 890 CO 0.62 -2.23 0.85 0.15 0.02 0.00 0.00 175.30 174.71 3n3k s LYS 891 N 5.27 4.59 -0.20 3.54 -0.14 -1.26 -5.05 119.74 126.49 3n3k s LYS 891 Ca 0.44 1.24 -0.01 0.00 -1.36 0.00 0.00 55.97 56.27 3n3k s LYS 891 Cb -0.03 -3.36 0.00 0.00 -1.68 0.00 0.00 37.83 32.77 3n3k s LYS 891 CO -0.02 0.27 -0.12 1.03 -0.76 0.00 0.00 175.35 175.75 3n3k s ARG 892 N -0.11 3.21 -0.89 1.68 0.52 -1.26 -5.03 118.95 117.07 3n3k s ARG 892 Ca 0.42 -0.72 -0.01 0.00 -0.52 0.00 0.00 55.73 54.90 3n3k s ARG 892 Cb -0.22 -2.79 0.34 0.00 0.52 0.00 0.00 34.95 32.80 3n3k s ARG 892 CO 0.26 -0.17 1.88 0.66 0.02 0.00 0.00 175.30 177.94 3n3k n TYR 893 N 4.63 2.95 -2.13 -0.53 4.02 -1.26 -4.98 117.16 119.86 3n3k n TYR 893 Ca -0.19 -2.50 -0.43 0.00 -0.01 0.00 0.00 57.90 54.76 3n3k n TYR 893 Cb 0.51 -1.12 -0.02 0.00 -0.02 0.00 0.00 39.34 38.68 3n3k n TYR 893 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 176.86 174.26 3n3k s LYS 894 N -4.14 3.67 -0.73 -0.72 -2.85 -1.26 -4.97 119.74 108.74 3n3k s LYS 894 Ca 0.47 1.50 -0.10 0.00 -1.00 0.00 0.00 55.97 56.85 3n3k s LYS 894 Cb 0.34 -4.06 0.19 0.00 -2.06 0.00 0.00 37.83 32.23 3n3k s LYS 894 CO -0.29 -1.45 0.62 -1.21 0.10 0.00 0.00 175.35 173.12 3n3k s GLU 895 N 4.91 3.15 0.14 1.78 2.02 -1.26 -5.05 118.70 124.39 3n3k s GLU 895 Ca 0.71 -2.45 -0.31 0.00 0.02 0.00 0.00 54.97 52.94 3n3k s GLU 895 Cb -0.23 -4.14 -0.10 0.00 0.10 0.00 0.00 34.13 29.77 3n3k s GLU 895 CO 0.30 -1.24 1.56 -2.00 0.02 0.00 0.00 175.26 173.90 3n3k s GLU 896 N 0.15 4.23 0.13 1.61 2.12 -1.26 -4.98 118.70 120.69 3n3k s GLU 896 Ca 0.17 2.32 -0.31 0.00 0.36 0.00 0.00 54.97 57.50 3n3k s GLU 896 Cb -0.15 -3.23 -0.10 0.00 0.26 0.00 0.00 34.13 30.91 3n3k s GLU 896 CO -0.06 -0.60 1.63 1.21 -0.54 0.00 0.00 175.26 176.90 3n3k s ASN 897 N 1.32 6.56 0.00 -1.70 2.47 -1.26 -4.93 114.94 117.40 3n3k s ASN 897 Ca 0.70 2.61 0.15 0.00 0.42 0.00 0.00 52.86 56.74 3n3k s ASN 897 Cb -0.42 -2.58 0.34 0.00 -1.45 0.00 0.00 41.25 37.14 3n3k s ASN 897 CO 0.31 -0.87 1.25 -0.46 -3.72 0.00 0.00 177.10 173.61 3n3k n ASN 898 N 4.64 3.01 0.28 -4.21 0.23 -1.26 -4.73 115.26 113.23 3n3k n ASN 898 Ca 0.15 -1.90 0.19 0.00 -0.53 0.00 0.00 54.58 52.49 3n3k n ASN 898 Cb 0.39 -0.23 1.01 0.00 -2.08 0.00 0.00 39.78 38.87 3n3k n ASN 898 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 3n3k h ASP 899 N 2.85 0.00 0.14 0.53 3.32 -1.95 -1.98 116.42 119.32 3n3k h ASP 899 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3n3k h ASP 899 Cb 0.77 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.32 3n3k h ASP 899 CO 0.00 0.00 -0.97 0.00 -1.72 0.00 0.00 179.24 176.55 3n3k n HIS 900 N -2.82 0.03 -3.58 4.55 1.44 -1.26 -4.95 115.22 108.62 3n3k n HIS 900 Ca -0.02 0.01 -0.33 0.00 -2.01 0.00 0.00 57.72 55.36 3n3k n HIS 900 Cb 0.07 -0.12 -0.05 0.00 0.12 0.00 0.00 29.99 30.00 3n3k n HIS 900 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 3n3k s LEU 901 N -3.19 4.30 0.96 2.39 1.43 -0.75 -5.10 118.68 118.72 3n3k s LEU 901 Ca 0.07 0.75 -0.12 0.00 -1.03 0.00 0.00 54.13 53.79 3n3k s LEU 901 Cb 0.16 -3.19 0.17 0.00 0.03 0.00 0.00 46.19 43.35 3n3k s LEU 901 CO 0.83 0.10 1.11 1.51 0.23 0.00 0.00 176.35 180.13 3n3k s ASP 902 N -2.06 3.01 0.20 2.29 3.84 -1.26 -4.72 116.67 117.96 3n3k s ASP 902 Ca 0.38 1.10 -0.11 0.00 -0.00 0.00 0.00 52.55 53.91 3n3k s ASP 902 Cb -0.13 -1.73 0.23 0.00 -1.38 0.00 0.00 42.92 39.92 3n3k s ASP 902 CO 0.21 -2.88 1.72 0.44 -0.00 0.00 0.00 175.17 174.66 3n3k h ASP 903 N -1.72 0.07 -0.50 2.11 3.32 -1.99 -0.37 116.42 117.34 3n3k h ASP 903 Ca -0.53 0.09 -0.00 0.00 0.02 0.00 0.00 57.03 56.61 3n3k h ASP 903 Cb 1.33 0.11 -0.02 0.00 0.22 0.00 0.00 39.33 40.96 3n3k h ASP 903 CO 0.59 0.06 0.30 -0.26 -1.72 0.00 0.00 179.24 178.21 3n3k h PHE 904 N 0.29 0.66 -0.32 4.55 0.04 -1.99 -0.46 116.94 119.71 3n3k h PHE 904 Ca 0.28 -0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.97 3n3k h PHE 904 Cb 0.37 -0.22 -0.01 0.00 2.20 0.00 0.00 35.95 38.29 3n3k h PHE 904 CO -0.21 0.46 -0.08 0.87 -0.60 0.00 0.00 178.31 178.75 3n3k h LYS 905 N 0.67 0.63 -0.50 1.51 1.79 -1.81 -1.97 116.57 116.88 3n3k h LYS 905 Ca 0.18 -0.24 -0.11 0.00 -2.18 0.00 0.00 60.65 58.30 3n3k h LYS 905 Cb -0.00 -0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 30.60 3n3k h LYS 905 CO -0.03 0.80 -0.11 0.00 -1.08 0.00 0.00 179.45 179.03 3n3k h ALA 906 N 0.80 0.69 -0.02 3.86 0.00 -0.94 -1.80 119.26 121.85 3n3k h ALA 906 Ca 0.08 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3n3k h ALA 906 Cb 0.57 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 3n3k h ALA 906 CO 0.03 0.60 -0.01 0.00 0.00 0.00 0.00 179.25 179.87 3n3k h ALA 907 N 0.90 0.01 -0.44 0.00 0.00 -1.10 -1.01 119.26 117.61 3n3k h ALA 907 Ca 0.13 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 3n3k h ALA 907 Cb 0.67 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 3n3k h ALA 907 CO 0.05 -0.50 0.27 1.49 0.00 0.00 0.00 179.25 180.56 3n3k h GLU 908 N -0.01 0.59 -0.72 0.00 4.22 -1.25 0.21 114.58 117.63 3n3k h GLU 908 Ca 0.01 -0.05 -0.00 0.00 0.08 0.00 0.00 59.36 59.40 3n3k h GLU 908 Cb 0.02 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.11 3n3k h GLU 908 CO -0.03 0.43 0.43 0.45 -2.18 0.00 0.00 179.01 178.12 3n3k h HIS 909 N 0.58 0.95 -0.23 0.92 3.86 -1.30 0.01 115.15 119.94 3n3k h HIS 909 Ca 0.16 -0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.31 3n3k h HIS 909 Cb -0.01 -0.31 -0.01 0.00 1.06 0.00 0.00 27.41 28.13 3n3k h HIS 909 CO -0.03 0.64 -0.07 0.00 0.86 0.00 0.00 177.93 179.33 3n3k h ALA 910 N 1.22 1.44 -0.14 2.45 0.00 -0.53 -1.53 119.26 122.17 3n3k h ALA 910 Ca 0.26 -0.20 -0.22 0.00 0.00 0.00 0.00 54.91 54.74 3n3k h ALA 910 Cb -0.03 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 17.66 3n3k h ALA 910 CO -0.05 0.39 -0.78 2.35 0.00 0.00 0.00 179.25 181.17 3n3k h TRP 911 N 0.35 1.00 -0.83 0.00 2.91 -0.41 -1.43 115.95 117.54 3n3k h TRP 911 Ca 0.07 -0.44 -0.00 0.00 1.13 0.00 0.00 58.89 59.65 3n3k h TRP 911 Cb 0.35 -0.15 -0.04 0.00 -0.51 0.00 0.00 29.16 28.81 3n3k h TRP 911 CO 0.01 1.27 0.51 1.96 -1.03 0.00 0.00 178.44 181.15 3n3k h GLN 912 N 0.50 1.12 -0.40 2.65 4.20 -0.72 -0.86 115.11 121.61 3n3k h GLN 912 Ca -0.05 -0.10 -0.05 0.00 0.06 0.00 0.00 58.65 58.52 3n3k h GLN 912 Cb 1.40 -0.24 -0.02 0.00 0.30 0.00 0.00 27.48 28.93 3n3k h GLN 912 CO 0.16 0.78 0.07 -0.22 -0.67 0.00 0.00 178.83 178.94 3n3k h LYS 913 N 1.13 0.66 -0.74 1.46 3.11 -1.28 -2.10 116.57 118.81 3n3k h LYS 913 Ca 0.30 -0.18 0.03 0.00 -2.81 0.00 0.00 60.65 57.99 3n3k h LYS 913 Cb -0.06 -0.08 -0.04 0.00 -1.00 0.00 0.00 32.23 31.05 3n3k h LYS 913 CO -0.06 0.71 0.49 1.25 -2.81 0.00 0.00 179.45 179.03 3n3k h HIS 914 N 0.51 0.89 0.00 1.91 2.76 -0.93 -2.42 115.15 117.87 3n3k h HIS 914 Ca 0.12 0.02 -0.13 0.00 -2.20 0.00 0.00 60.37 58.19 3n3k h HIS 914 Cb 0.36 -0.30 -0.02 0.00 1.55 0.00 0.00 27.41 29.01 3n3k h HIS 914 CO 0.02 0.53 -0.60 0.87 -1.30 0.00 0.00 177.93 177.45 3n3k h LYS 915 N 0.93 0.00 0.00 5.26 1.79 -0.81 0.15 116.57 123.89 3n3k h LYS 915 Ca 0.29 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.73 3n3k h LYS 915 Cb 0.02 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.66 3n3k h LYS 915 CO -0.08 0.60 -0.14 1.96 -1.08 0.00 0.00 179.45 180.71 3n3k h GLN 916 N 0.00 0.00 0.00 3.15 4.20 -0.88 -3.22 115.11 118.35 3n3k h GLN 916 Ca -0.01 0.00 -0.14 0.00 0.06 0.00 0.00 58.65 58.56 3n3k h GLN 916 Cb 1.15 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.91 3n3k h GLN 916 CO 0.08 0.14 -1.96 1.28 -0.67 0.00 0.00 178.83 177.70 3n3k n LEU 917 N -3.48 0.00 -3.58 1.46 4.77 -0.99 -4.38 117.00 110.79 3n3k n LEU 917 Ca -0.01 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.75 3n3k n LEU 917 Cb 0.30 0.19 -0.16 0.00 -2.33 0.00 0.00 43.42 41.43 3n3k n LEU 917 CO 0.30 0.19 -0.28 0.20 -1.33 0.00 0.00 177.39 176.47 3n3k s ASN 918 N -4.51 1.81 -0.19 -1.43 0.01 0.49 -4.74 114.94 106.38 3n3k s ASN 918 Ca -0.07 -0.35 -0.04 0.00 -0.71 0.00 0.00 52.86 51.68 3n3k s ASN 918 Cb 0.08 0.01 0.08 0.00 0.41 0.00 0.00 41.25 41.84 3n3k s ASN 918 CO 0.71 -0.33 0.19 -0.70 -1.51 0.00 0.00 177.10 175.46 3n3k s GLU 919 N 2.21 0.15 0.18 -0.60 2.12 -1.26 -4.31 118.70 117.19 3n3k s GLU 919 Ca 0.04 0.14 -0.24 0.00 0.36 0.00 0.00 54.97 55.27 3n3k s GLU 919 Cb -0.15 -1.34 0.07 0.00 0.26 0.00 0.00 34.13 32.96 3n3k s GLU 919 CO -0.09 -0.65 0.97 -1.54 -0.54 0.00 0.00 175.26 173.41 3n3k s SER 920 N 2.28 -0.12 0.37 -1.70 1.04 -1.26 -0.31 113.70 114.00 3n3k s SER 920 Ca 0.06 -0.52 0.05 0.00 0.48 0.00 0.00 55.95 56.02 3n3k s SER 920 Cb -0.16 0.51 0.72 0.00 0.10 0.00 0.00 66.02 67.20 3n3k s SER 920 CO -0.11 -0.98 1.98 -0.29 0.98 0.00 0.00 173.24 174.83 3n3k h ILE 921 N 2.00 1.15 -0.38 -1.02 2.10 -1.95 -2.07 117.51 117.33 3n3k h ILE 921 Ca -0.25 -0.42 0.02 0.00 1.08 0.00 0.00 64.86 65.28 3n3k h ILE 921 Cb 1.23 0.60 -0.03 0.00 -1.09 0.00 0.00 36.82 37.53 3n3k h ILE 921 CO 0.29 0.17 0.23 0.40 -1.08 0.00 0.00 178.15 178.16 3n3k h ILE 922 N 0.61 1.04 0.06 2.19 1.08 -1.94 -0.28 117.51 120.27 3n3k h ILE 922 Ca 0.15 -0.16 -0.00 0.00 -0.39 0.00 0.00 64.86 64.46 3n3k h ILE 922 Cb 0.07 0.54 -0.00 0.00 -3.07 0.00 0.00 36.82 34.36 3n3k h ILE 922 CO -0.02 0.08 -0.04 0.58 -0.69 0.00 0.00 178.15 178.07 3n3k h VAL 923 N 0.46 0.92 -0.32 1.67 2.07 -1.85 -0.30 116.25 118.90 3n3k h VAL 923 Ca 0.15 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.74 3n3k h VAL 923 Cb 0.00 0.92 -0.07 0.00 -1.52 0.00 0.00 31.29 30.63 3n3k h VAL 923 CO -0.07 0.00 -0.12 0.00 0.02 0.00 0.00 177.57 177.40 3n3k h ALA 924 N 0.84 0.15 0.23 1.67 0.00 -1.00 -2.75 119.26 118.40 3n3k h ALA 924 Ca -0.01 0.12 -0.34 0.00 0.00 0.00 0.00 54.91 54.69 3n3k h ALA 924 Cb 0.08 0.31 0.03 0.00 0.00 0.00 0.00 17.79 18.21 3n3k h ALA 924 CO 0.01 -0.50 -1.58 -0.07 0.00 0.00 0.00 179.25 177.10 3n3k h LEU 925 N -0.06 0.76 -0.07 0.00 3.38 -1.03 -3.42 115.31 114.88 3n3k h LEU 925 Ca 0.16 -0.93 0.00 0.00 0.09 0.00 0.00 57.88 57.20 3n3k h LEU 925 Cb 0.30 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.80 3n3k h LEU 925 CO -0.36 1.74 -0.52 0.49 0.09 0.00 0.00 178.44 179.88 3n3k n PHE 926 N -3.68 0.00 -4.04 1.13 3.72 -0.13 -0.89 117.46 113.57 3n3k n PHE 926 Ca -0.20 0.00 -0.35 0.00 -0.05 0.00 0.00 57.45 56.85 3n3k n PHE 926 Cb 1.09 0.00 -0.12 0.00 -0.94 0.00 0.00 39.48 39.51 3n3k n PHE 926 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 3n3k s GLN 927 N -2.04 3.68 0.00 -1.08 -0.21 -1.04 -4.49 119.66 114.48 3n3k s GLN 927 Ca 0.05 -0.49 0.00 0.00 0.02 0.00 0.00 55.36 54.94 3n3k s GLN 927 Cb 0.09 -3.13 0.00 0.00 1.00 0.00 0.00 33.01 30.97 3n3k s GLN 927 CO 0.46 0.04 0.00 0.41 -2.12 0.00 0.00 175.29 174.07 3n3k n GLY 928 N 4.20 4.38 3.07 3.09 0.00 -0.85 -4.21 105.19 114.87 3n3k n GLY 928 Ca -0.17 -2.02 -0.13 0.00 0.00 0.00 0.00 46.02 43.71 3n3k n GLY 928 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3n3k s GLN 929 N 2.23 0.22 0.34 1.61 0.74 -0.41 -1.80 119.66 122.60 3n3k s GLN 929 Ca 0.00 0.30 0.03 0.00 0.05 0.00 0.00 55.36 55.74 3n3k s GLN 929 Cb 0.00 0.08 -0.02 0.00 1.10 0.00 0.00 33.01 34.17 3n3k s GLN 929 CO 0.00 -0.05 0.51 -0.06 -0.55 0.00 0.00 175.29 175.15 3n3k s PHE 930 N 0.25 3.36 -0.30 1.67 0.08 -0.04 -0.73 117.98 122.28 3n3k s PHE 930 Ca -0.01 0.13 -0.03 0.00 0.12 0.00 0.00 56.93 57.14 3n3k s PHE 930 Cb -0.03 -1.91 0.04 0.00 -0.57 0.00 0.00 43.02 40.56 3n3k s PHE 930 CO -0.01 0.08 0.01 0.21 -0.10 0.00 0.00 175.22 175.42 3n3k s LYS 931 N -4.25 2.51 -0.26 0.44 2.20 0.31 -3.70 119.74 116.99 3n3k s LYS 931 Ca 0.41 -1.21 -0.10 0.00 -0.36 0.00 0.00 55.97 54.70 3n3k s LYS 931 Cb -0.09 -3.21 -0.05 0.00 -1.51 0.00 0.00 37.83 32.97 3n3k s LYS 931 CO 0.34 -0.60 0.16 -1.12 -0.36 0.00 0.00 175.35 173.77 3n3k s SER 932 N 1.29 5.97 -0.17 1.43 0.01 0.42 -0.68 113.70 121.97 3n3k s SER 932 Ca -0.04 0.03 -0.00 0.00 1.31 0.00 0.00 55.95 57.24 3n3k s SER 932 Cb -0.19 -2.09 0.00 0.00 0.21 0.00 0.00 66.02 63.95 3n3k s SER 932 CO -0.01 0.01 -0.14 -0.89 0.41 0.00 0.00 173.24 172.62 3n3k s THR 933 N 1.41 2.66 -0.08 1.44 2.01 0.90 -0.25 115.64 123.73 3n3k s THR 933 Ca 0.07 -0.76 0.01 0.00 0.31 0.00 0.00 61.69 61.32 3n3k s THR 933 Cb -0.15 -2.14 -0.02 0.00 0.01 0.00 0.00 72.50 70.20 3n3k s THR 933 CO 0.07 0.50 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.71 3n3k s VAL 934 N 1.02 3.33 -0.09 3.82 1.01 -0.34 -0.42 120.40 128.73 3n3k s VAL 934 Ca -0.01 -0.60 0.01 0.00 0.00 0.00 0.00 61.98 61.37 3n3k s VAL 934 Cb -0.15 -2.36 0.02 0.00 0.00 0.00 0.00 36.38 33.89 3n3k s VAL 934 CO -0.03 0.57 -0.10 -1.58 0.00 0.00 0.00 175.10 173.95 3n3k s GLN 935 N -0.38 1.64 0.02 2.72 0.74 0.58 -1.12 119.66 123.86 3n3k s GLN 935 Ca 0.05 -0.34 -0.30 0.00 0.05 0.00 0.00 55.36 54.81 3n3k s GLN 935 Cb -0.12 -1.53 -0.04 0.00 1.10 0.00 0.00 33.01 32.41 3n3k s GLN 935 CO 0.02 -0.13 1.16 0.00 -0.55 0.00 0.00 175.29 175.79 3n3k n LEU 937 N 4.30 0.35 -0.06 0.00 4.77 -0.00 -0.74 117.00 125.62 3n3k n LEU 937 Ca 0.09 -0.14 -0.06 0.00 -0.03 0.00 0.00 56.01 55.87 3n3k n LEU 937 Cb 0.47 -0.02 -0.02 0.00 -2.33 0.00 0.00 43.42 41.52 3n3k n LEU 937 CO 0.55 0.07 -0.43 0.41 -1.33 0.00 0.00 177.39 176.66 3n3k n THR 938 N -0.59 1.06 0.47 -5.08 -1.04 -1.26 -4.74 114.28 103.10 3n3k n THR 938 Ca 0.16 0.26 0.12 0.00 -2.04 0.00 0.00 64.05 62.55 3n3k n THR 938 Cb 0.13 -2.11 0.13 0.00 -1.82 0.00 0.00 70.33 66.65 3n3k n THR 938 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3n3k n HIS 940 N -2.23 0.00 -2.24 0.00 -0.00 0.08 -5.00 115.22 105.83 3n3k n HIS 940 Ca 0.03 0.00 -0.40 0.00 -0.00 0.00 0.00 57.72 57.35 3n3k n HIS 940 Cb 0.46 -1.06 -0.02 0.00 -0.00 0.00 0.00 29.99 29.37 3n3k n HIS 940 CO 0.00 0.00 0.00 -1.59 -0.00 0.00 0.00 176.34 174.75 3n3k s LYS 941 N -1.08 4.32 -0.18 -0.41 -2.85 -1.26 -4.72 119.74 113.56 3n3k s LYS 941 Ca 0.00 2.02 -0.04 0.00 -1.00 0.00 0.00 55.97 56.95 3n3k s LYS 941 Cb 0.00 -2.98 -0.02 0.00 -2.06 0.00 0.00 37.83 32.77 3n3k s LYS 941 CO 0.00 -0.15 -0.04 0.15 0.10 0.00 0.00 175.35 175.42 3n3k s LYS 942 N -1.87 3.58 -0.14 1.78 1.02 -1.26 -2.48 119.74 120.37 3n3k s LYS 942 Ca 0.50 -0.55 0.02 0.00 0.02 0.00 0.00 55.97 55.96 3n3k s LYS 942 Cb -0.35 -2.95 0.01 0.00 -0.52 0.00 0.00 37.83 34.01 3n3k s LYS 942 CO 0.46 0.09 -0.22 -1.54 -0.92 0.00 0.00 175.35 173.23 3n3k s SER 943 N 0.75 3.14 0.10 2.83 1.04 -0.27 -5.01 113.70 116.28 3n3k s SER 943 Ca -0.01 -0.60 0.08 0.00 0.48 0.00 0.00 55.95 55.90 3n3k s SER 943 Cb -0.14 -1.45 -0.04 0.00 0.10 0.00 0.00 66.02 64.48 3n3k s SER 943 CO 0.02 0.08 -0.17 0.00 0.98 0.00 0.00 173.24 174.15 3n3k s ARG 944 N 0.84 1.88 0.05 4.02 1.70 -1.26 -1.20 118.95 124.98 3n3k s ARG 944 Ca -0.06 -1.13 0.05 0.00 -0.47 0.00 0.00 55.73 54.12 3n3k s ARG 944 Cb -0.15 -2.16 -0.03 0.00 -0.57 0.00 0.00 34.95 32.04 3n3k s ARG 944 CO -0.02 0.49 -0.13 0.99 -1.08 0.00 0.00 175.30 175.55 3n3k s THR 945 N -1.13 1.03 -0.60 4.99 2.01 0.66 -4.97 115.64 117.64 3n3k s THR 945 Ca 0.18 -1.14 0.06 0.00 0.31 0.00 0.00 61.69 61.10 3n3k s THR 945 Cb -0.11 -0.98 0.30 0.00 0.01 0.00 0.00 72.50 71.73 3n3k s THR 945 CO 0.10 -0.15 0.86 0.49 -0.69 0.00 0.00 174.62 175.23 3n3k n PHE 946 N 1.57 3.78 -2.74 4.92 3.72 -1.26 -0.43 117.46 127.02 3n3k n PHE 946 Ca -0.20 -4.05 -0.39 0.00 -0.05 0.00 0.00 57.45 52.76 3n3k n PHE 946 Cb 0.54 -0.51 -0.06 0.00 -0.94 0.00 0.00 39.48 38.51 3n3k n PHE 946 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 176.76 174.88 3n3k s GLU 947 N -3.04 4.74 0.66 -1.08 1.03 -1.24 -4.69 118.70 115.08 3n3k s GLU 947 Ca 0.45 1.45 -0.17 0.00 0.03 0.00 0.00 54.97 56.73 3n3k s GLU 947 Cb 0.23 -3.10 -0.00 0.00 -0.80 0.00 0.00 34.13 30.46 3n3k s GLU 947 CO -0.09 0.41 1.21 0.00 -1.33 0.00 0.00 175.26 175.46 3n3k s ALA 948 N -1.34 2.35 0.11 -0.84 0.00 -1.26 -0.86 121.76 119.93 3n3k s ALA 948 Ca 0.45 0.94 0.01 0.00 0.00 0.00 0.00 51.96 53.36 3n3k s ALA 948 Cb -0.24 -3.46 -0.04 0.00 0.00 0.00 0.00 23.12 19.38 3n3k s ALA 948 CO 0.30 -1.50 -0.04 -0.59 0.00 0.00 0.00 175.76 173.93 3n3k s PHE 949 N -1.79 0.92 -0.17 0.00 -0.12 -0.75 -4.83 117.98 111.24 3n3k s PHE 949 Ca 0.76 -0.98 0.07 0.00 -0.05 0.00 0.00 56.93 56.73 3n3k s PHE 949 Cb -0.30 -0.54 -0.16 0.00 -0.63 0.00 0.00 43.02 41.40 3n3k s PHE 949 CO 0.39 -0.22 -0.06 -0.12 -0.05 0.00 0.00 175.22 175.16 3n3k n MET 950 N -0.07 0.98 -3.64 1.99 0.00 -1.26 -2.01 117.12 113.12 3n3k n MET 950 Ca -0.10 0.05 -0.11 0.00 -0.00 0.00 0.00 57.70 57.54 3n3k n MET 950 Cb 0.62 -1.39 -0.05 0.00 0.00 0.00 0.00 33.22 32.40 3n3k n MET 950 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 175.97 177.49 3n3k s TYR 951 N -2.38 -0.20 0.12 1.12 -0.85 -1.26 -4.63 117.35 109.26 3n3k s TYR 951 Ca -0.17 -0.10 -0.06 0.00 -0.52 0.00 0.00 57.07 56.22 3n3k s TYR 951 Cb 0.06 0.25 -0.06 0.00 0.38 0.00 0.00 41.96 42.59 3n3k s TYR 951 CO 0.53 -0.69 0.37 -0.51 -1.52 0.00 0.00 175.55 173.73 3n3k s LEU 952 N -2.75 4.29 -0.27 -3.49 1.43 0.07 -5.00 118.68 112.96 3n3k s LEU 952 Ca 0.02 0.63 -0.01 0.00 -1.03 0.00 0.00 54.13 53.74 3n3k s LEU 952 Cb 0.02 -3.18 0.08 0.00 0.03 0.00 0.00 46.19 43.14 3n3k s LEU 952 CO -0.11 0.10 0.06 -0.55 0.23 0.00 0.00 176.35 176.07 3n3k s SER 953 N -2.22 3.65 -0.12 2.29 0.15 -1.26 -0.41 113.70 115.79 3n3k s SER 953 Ca 0.38 -1.33 -0.07 0.00 0.70 0.00 0.00 55.95 55.64 3n3k s SER 953 Cb -0.13 -0.80 -0.04 0.00 -1.71 0.00 0.00 66.02 63.34 3n3k s SER 953 CO 0.22 -0.36 0.13 -0.76 1.20 0.00 0.00 173.24 173.68 3n3k s LEU 954 N 1.68 4.35 0.53 3.45 1.43 0.37 -4.90 118.68 125.59 3n3k s LEU 954 Ca 0.05 0.45 -0.16 0.00 -1.03 0.00 0.00 54.13 53.44 3n3k s LEU 954 Cb -0.17 -2.07 -0.07 0.00 0.03 0.00 0.00 46.19 43.91 3n3k s LEU 954 CO -0.18 0.41 1.00 -2.16 0.23 0.00 0.00 176.35 175.64 3n3k s PRO 955 N -1.04 3.86 -0.11 1.29 0.04 -1.26 -0.82 135.00 136.96 3n3k s PRO 955 Ca 0.15 0.98 -0.22 0.00 0.04 0.00 0.00 61.00 61.95 3n3k s PRO 955 Cb -0.12 -2.12 -0.03 0.00 0.04 0.00 0.00 34.50 32.27 3n3k s PRO 955 CO 0.04 -0.35 0.65 -0.51 0.04 0.00 0.00 177.00 176.87 3n3k s LEU 956 N -4.15 4.26 0.00 -3.56 1.43 -1.26 -4.48 118.68 110.92 3n3k s LEU 956 Ca 0.59 1.04 0.26 0.00 -1.03 0.00 0.00 54.13 54.99 3n3k s LEU 956 Cb -0.11 -2.97 1.36 0.00 0.03 0.00 0.00 46.19 44.50 3n3k s LEU 956 CO 0.32 -0.14 1.90 0.00 0.23 0.00 0.00 176.35 178.66 3n3k n ALA 957 N 4.11 2.62 -3.24 4.21 0.00 -1.26 -4.85 120.51 122.09 3n3k n ALA 957 Ca -0.02 -0.28 -0.11 0.00 0.00 0.00 0.00 53.44 53.02 3n3k n ALA 957 Cb 0.51 -1.33 -0.03 0.00 0.00 0.00 0.00 19.45 18.60 3n3k n ALA 957 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3n3k s SER 958 N -1.84 -0.43 0.00 0.00 0.15 -1.26 -4.99 113.70 105.33 3n3k s SER 958 Ca 0.39 -0.12 0.26 0.00 0.70 0.00 0.00 55.95 57.18 3n3k s SER 958 Cb 0.19 0.54 0.65 0.00 -1.71 0.00 0.00 66.02 65.70 3n3k s SER 958 CO 0.31 -0.91 1.51 0.35 1.20 0.00 0.00 173.24 175.70 3n3k n THR 959 N -0.28 0.00 0.00 6.45 -2.24 -1.26 -4.66 114.28 112.29 3n3k n THR 959 Ca -0.17 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.36 3n3k n THR 959 Cb 0.64 0.74 0.00 0.00 -2.10 0.00 0.00 70.33 69.61 3n3k n THR 959 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3n3k n SER 960 N 0.06 0.38 -3.67 3.42 3.41 -1.26 -4.20 113.62 111.76 3n3k n SER 960 Ca 0.14 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.67 3n3k n SER 960 Cb 0.41 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.26 3n3k n SER 960 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3n3k s LYS 961 N -1.85 0.39 0.36 4.33 1.02 -1.26 -0.67 119.74 122.07 3n3k s LYS 961 Ca 0.00 0.97 -0.15 0.00 0.02 0.00 0.00 55.97 56.81 3n3k s LYS 961 Cb 0.00 0.19 0.06 0.00 -0.52 0.00 0.00 37.83 37.56 3n3k s LYS 961 CO 0.00 -0.20 0.80 0.00 -0.92 0.00 0.00 175.35 175.02 3n3k s THR 963 N -2.12 3.57 0.23 0.00 -4.23 -1.26 -0.59 115.64 111.24 3n3k s THR 963 Ca 0.16 -1.22 -0.07 0.00 -1.18 0.00 0.00 61.69 59.38 3n3k s THR 963 Cb -0.05 -3.22 0.18 0.00 1.34 0.00 0.00 72.50 70.75 3n3k s THR 963 CO 0.11 -0.14 1.81 0.25 -0.54 0.00 0.00 174.62 176.11 3n3k h LEU 964 N 1.07 1.08 -0.95 4.79 5.85 -1.40 -2.63 115.31 123.11 3n3k h LEU 964 Ca -0.44 -0.15 0.07 0.00 0.84 0.00 0.00 57.88 58.20 3n3k h LEU 964 Cb 1.26 -0.28 -0.07 0.00 0.37 0.00 0.00 40.66 41.94 3n3k h LEU 964 CO 0.56 0.93 0.61 1.56 -0.34 0.00 0.00 178.44 181.75 3n3k h GLN 965 N 1.16 1.07 -0.69 1.25 7.50 -1.95 -0.41 115.11 123.03 3n3k h GLN 965 Ca 0.27 -0.06 0.01 0.00 0.50 0.00 0.00 58.65 59.37 3n3k h GLN 965 Cb 0.16 -0.24 -0.03 0.00 0.05 0.00 0.00 27.48 27.42 3n3k h GLN 965 CO -0.03 0.71 0.46 -0.44 -1.50 0.00 0.00 178.83 178.03 3n3k h ASP 966 N 1.10 0.79 0.13 1.46 3.32 -1.87 0.16 116.42 121.51 3n3k h ASP 966 Ca 0.41 -0.02 -0.09 0.00 0.02 0.00 0.00 57.03 57.35 3n3k h ASP 966 Cb 0.18 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 3n3k h ASP 966 CO -0.18 0.57 -0.32 0.00 -1.72 0.00 0.00 179.24 177.60 3n3k h LEU 968 N 0.26 0.79 -0.80 0.00 3.38 -0.45 -0.95 115.31 117.53 3n3k h LEU 968 Ca 0.03 -0.44 -0.10 0.00 0.09 0.00 0.00 57.88 57.47 3n3k h LEU 968 Cb 0.70 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 3n3k h LEU 968 CO 0.05 1.20 -0.14 0.03 0.09 0.00 0.00 178.44 179.67 3n3k h ARG 969 N 0.52 0.76 -0.01 1.13 3.08 -0.52 -3.06 114.38 116.28 3n3k h ARG 969 Ca 0.00 -0.26 -0.17 0.00 0.07 0.00 0.00 59.98 59.62 3n3k h ARG 969 Cb 1.17 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 31.15 3n3k h ARG 969 CO 0.12 0.86 -0.75 1.25 -1.07 0.00 0.00 179.97 180.38 3n3k h LEU 970 N 0.68 0.14 -1.32 3.04 5.85 -1.20 -2.74 115.31 119.77 3n3k h LEU 970 Ca 0.11 -0.10 0.03 0.00 0.84 0.00 0.00 57.88 58.76 3n3k h LEU 970 Cb 0.62 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.56 3n3k h LEU 970 CO 0.04 0.84 0.48 0.15 -0.34 0.00 0.00 178.44 179.61 3n3k h PHE 971 N 0.07 0.86 -0.26 1.25 3.57 -1.07 -3.05 116.94 118.31 3n3k h PHE 971 Ca -0.02 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.50 3n3k h PHE 971 Cb 1.32 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 39.77 3n3k h PHE 971 CO 0.01 0.50 0.00 0.43 -2.23 0.00 0.00 178.31 177.03 3n3k n SER 972 N -4.45 3.20 -4.75 0.41 7.64 -1.16 -4.58 113.62 109.94 3n3k n SER 972 Ca 0.09 -1.95 -0.37 0.00 1.01 0.00 0.00 58.87 57.65 3n3k n SER 972 Cb 0.11 -0.16 0.04 0.00 -1.01 0.00 0.00 64.21 63.18 3n3k n SER 972 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 3n3k s LYS 973 N -1.55 3.01 0.03 1.43 2.20 -1.04 -4.53 119.74 119.30 3n3k s LYS 973 Ca 0.33 1.97 -0.30 0.00 -0.36 0.00 0.00 55.97 57.60 3n3k s LYS 973 Cb 0.20 -2.04 -0.06 0.00 -1.51 0.00 0.00 37.83 34.42 3n3k s LYS 973 CO 0.29 -1.21 1.34 -2.00 -0.36 0.00 0.00 175.35 173.41 3n3k s GLU 974 N -3.17 4.33 -0.16 4.03 2.12 -1.26 -4.66 118.70 119.92 3n3k s GLU 974 Ca 0.76 1.92 -0.05 0.00 0.36 0.00 0.00 54.97 57.96 3n3k s GLU 974 Cb -0.34 -3.45 -0.03 0.00 0.26 0.00 0.00 34.13 30.57 3n3k s GLU 974 CO 0.38 -0.47 -0.00 -1.21 -0.54 0.00 0.00 175.26 173.42 3n3k s GLU 975 N 1.81 3.78 -0.37 4.30 2.02 0.27 -4.96 118.70 125.55 3n3k s GLU 975 Ca 0.62 -0.45 -0.23 0.00 0.02 0.00 0.00 54.97 54.93 3n3k s GLU 975 Cb -0.32 -3.02 0.01 0.00 0.10 0.00 0.00 34.13 30.90 3n3k s GLU 975 CO 0.27 0.26 0.78 0.21 0.02 0.00 0.00 175.26 176.80 3n3k s LYS 976 N 0.34 3.71 -0.18 1.61 2.47 -1.26 -0.24 119.74 126.19 3n3k s LYS 976 Ca -0.01 0.25 -0.04 0.00 -1.56 0.00 0.00 55.97 54.61 3n3k s LYS 976 Cb -0.13 -3.82 -0.02 0.00 -1.46 0.00 0.00 37.83 32.39 3n3k s LYS 976 CO 0.02 -0.88 -0.03 -0.51 0.16 0.00 0.00 175.35 174.11 3n3k s LEU 977 N 3.11 3.13 0.30 5.43 1.02 0.11 -5.01 118.68 126.78 3n3k s LEU 977 Ca 0.31 -0.23 0.03 0.00 0.02 0.00 0.00 54.13 54.26 3n3k s LEU 977 Cb -0.13 -1.77 -0.04 0.00 0.02 0.00 0.00 46.19 44.27 3n3k s LEU 977 CO 0.18 0.09 0.14 0.42 0.02 0.00 0.00 176.35 177.20 3n3k s THR 978 N 0.82 0.42 0.00 5.49 -4.23 -1.26 -0.89 115.64 115.98 3n3k s THR 978 Ca -0.01 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.50 3n3k s THR 978 Cb -0.14 -2.53 0.00 0.00 1.34 0.00 0.00 72.50 71.16 3n3k s THR 978 CO 0.02 0.00 0.00 0.47 -0.54 0.00 0.00 174.62 174.57 3n3k n ASP 979 N -0.87 0.00 0.28 3.99 10.43 -1.26 -0.50 116.55 128.62 3n3k n ASP 979 Ca 0.00 0.00 0.16 0.00 2.57 0.00 0.00 54.79 57.53 3n3k n ASP 979 Cb 0.65 0.00 0.74 0.00 1.84 0.00 0.00 41.12 44.35 3n3k n ASP 979 CO 0.00 0.00 0.00 0.78 -1.07 0.00 0.00 177.20 176.91 3n3k h ASN 980 N 0.00 0.00 -0.69 -2.24 4.21 -2.03 -3.10 115.58 111.74 3n3k h ASN 980 Ca 0.00 0.00 -0.14 0.00 1.21 0.00 0.00 56.30 57.37 3n3k h ASN 980 Cb 0.00 0.00 -0.08 0.00 -1.12 0.00 0.00 38.32 37.12 3n3k h ASN 980 CO 0.00 0.05 0.17 0.59 -1.29 0.00 0.00 177.43 176.95 3n3k n ASN 981 N -3.20 5.21 -4.71 5.81 3.02 0.35 -4.98 115.26 116.76 3n3k n ASN 981 Ca -0.00 -3.11 -0.42 0.00 -0.03 0.00 0.00 54.58 51.02 3n3k n ASN 981 Cb 0.28 -0.73 -0.03 0.00 -0.61 0.00 0.00 39.78 38.69 3n3k n ASN 981 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 3n3k s ARG 982 N -2.90 4.35 0.21 3.52 0.52 -1.17 -4.35 118.95 119.14 3n3k s ARG 982 Ca 0.55 1.98 -0.18 0.00 -0.52 0.00 0.00 55.73 57.56 3n3k s ARG 982 Cb 0.43 -3.28 -0.08 0.00 0.52 0.00 0.00 34.95 32.55 3n3k s ARG 982 CO 0.15 -0.38 0.68 -0.06 0.02 0.00 0.00 175.30 175.70 3n3k s PHE 983 N 1.08 3.61 0.05 -0.53 0.08 -1.11 -4.72 117.98 116.45 3n3k s PHE 983 Ca 0.63 1.29 -0.31 0.00 0.12 0.00 0.00 56.93 58.66 3n3k s PHE 983 Cb -0.35 -2.55 -0.06 0.00 -0.57 0.00 0.00 43.02 39.50 3n3k s PHE 983 CO 0.30 0.34 1.34 -0.47 -0.10 0.00 0.00 175.22 176.63 3n3k s TYR 984 N -1.55 3.14 -0.19 0.36 5.04 -1.26 -0.27 117.35 122.62 3n3k s TYR 984 Ca 0.43 0.99 -0.11 0.00 -2.44 0.00 0.00 57.07 55.94 3n3k s TYR 984 Cb -0.16 -3.60 -0.05 0.00 0.35 0.00 0.00 41.96 38.50 3n3k s TYR 984 CO 0.20 -2.11 0.18 0.00 -1.34 0.00 0.00 175.55 172.48 3n3k h SER 986 N 6.63 0.76 0.01 0.00 0.02 -1.96 0.15 113.55 119.18 3n3k h SER 986 Ca -0.41 -0.32 -0.12 0.00 -0.84 0.00 0.00 61.79 60.09 3n3k h SER 986 Cb 1.16 -0.21 0.01 0.00 0.14 0.00 0.00 62.40 63.49 3n3k h SER 986 CO 0.75 1.04 -0.50 -0.74 -1.14 0.00 0.00 176.83 176.25 3n3k h HIS 987 N 0.61 0.48 0.00 3.45 -0.00 -1.96 -3.25 115.15 114.48 3n3k h HIS 987 Ca 0.06 -0.27 0.00 0.00 -0.00 0.00 0.00 60.37 60.16 3n3k h HIS 987 Cb 0.88 -0.05 0.00 0.00 -0.00 0.00 0.00 27.41 28.24 3n3k h HIS 987 CO 0.04 1.09 0.00 0.00 -0.00 0.00 0.00 177.93 179.07 3n3k n ARG 989 N -2.91 -3.74 -3.70 0.00 1.74 0.52 -4.96 116.66 103.62 3n3k n ARG 989 Ca 0.02 0.55 -0.12 0.00 -0.77 0.00 0.00 57.85 57.53 3n3k n ARG 989 Cb 0.36 -5.29 -0.06 0.00 -1.02 0.00 0.00 32.46 26.45 3n3k n ARG 989 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3n3k s ALA 990 N -3.00 -0.85 0.09 7.54 0.00 -1.14 -4.96 121.76 119.45 3n3k s ALA 990 Ca 0.41 0.11 -0.31 0.00 0.00 0.00 0.00 51.96 52.17 3n3k s ALA 990 Cb -0.21 0.39 -0.07 0.00 0.00 0.00 0.00 23.12 23.24 3n3k s ALA 990 CO 0.50 -0.47 1.29 -0.98 0.00 0.00 0.00 175.76 176.10 3n3k s ARG 991 N -2.75 4.38 -0.01 0.00 1.70 -1.26 -0.71 118.95 120.29 3n3k s ARG 991 Ca -0.04 1.91 -0.02 0.00 -0.47 0.00 0.00 55.73 57.12 3n3k s ARG 991 Cb -0.00 -3.30 -0.00 0.00 -0.57 0.00 0.00 34.95 31.08 3n3k s ARG 991 CO -0.04 -0.34 0.04 0.50 -1.08 0.00 0.00 175.30 174.37 3n3k s ARG 992 N 1.09 0.12 0.13 3.89 6.06 0.63 -4.93 118.95 125.94 3n3k s ARG 992 Ca 0.61 -0.09 -0.34 0.00 -2.50 0.00 0.00 55.73 53.42 3n3k s ARG 992 Cb -0.33 0.05 -0.14 0.00 0.06 0.00 0.00 34.95 34.59 3n3k s ARG 992 CO 0.30 -0.02 1.59 -0.25 -2.50 0.00 0.00 175.30 174.42 3n3k n ASP 993 N 2.71 3.02 -4.18 -2.12 9.92 -1.26 -2.73 116.55 121.90 3n3k n ASP 993 Ca -0.15 1.07 -0.13 0.00 -0.53 0.00 0.00 54.79 55.06 3n3k n ASP 993 Cb 0.59 -1.40 -0.10 0.00 -0.64 0.00 0.00 41.12 39.56 3n3k n ASP 993 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 3n3k s SER 994 N 1.23 1.35 -0.16 -2.24 0.01 -0.07 -0.82 113.70 113.00 3n3k s SER 994 Ca 0.81 -0.91 -0.10 0.00 1.31 0.00 0.00 55.95 57.06 3n3k s SER 994 Cb -0.70 0.04 -0.05 0.00 0.21 0.00 0.00 66.02 65.52 3n3k s SER 994 CO 0.40 -0.35 0.16 -0.76 0.41 0.00 0.00 173.24 173.10 3n3k s LEU 995 N -2.76 4.28 -0.03 2.44 1.43 0.40 0.05 118.68 124.49 3n3k s LEU 995 Ca 0.09 0.36 0.05 0.00 -1.03 0.00 0.00 54.13 53.61 3n3k s LEU 995 Cb 0.01 -2.13 -0.01 0.00 0.03 0.00 0.00 46.19 44.09 3n3k s LEU 995 CO -0.02 0.25 -0.19 -0.75 0.23 0.00 0.00 176.35 175.87 3n3k s LYS 996 N -0.14 1.77 -0.04 1.70 2.20 0.67 -0.31 119.74 125.58 3n3k s LYS 996 Ca 0.12 -0.69 -0.00 0.00 -0.36 0.00 0.00 55.97 55.04 3n3k s LYS 996 Cb -0.12 -1.61 0.03 0.00 -1.51 0.00 0.00 37.83 34.62 3n3k s LYS 996 CO 0.01 0.35 -0.00 0.21 -0.36 0.00 0.00 175.35 175.56 3n3k s LYS 997 N -0.24 0.43 -0.21 4.03 2.20 0.45 -0.56 119.74 125.84 3n3k s LYS 997 Ca 0.02 0.08 -0.02 0.00 -0.36 0.00 0.00 55.97 55.69 3n3k s LYS 997 Cb -0.10 -0.67 -0.00 0.00 -1.51 0.00 0.00 37.83 35.55 3n3k s LYS 997 CO 0.01 -0.19 -0.09 -1.50 -0.36 0.00 0.00 175.35 173.23 3n3k s ILE 998 N 1.35 3.03 0.26 5.43 2.07 -1.26 -0.07 121.20 132.02 3n3k s ILE 998 Ca -0.05 -0.61 0.12 0.00 -1.41 0.00 0.00 60.65 58.70 3n3k s ILE 998 Cb -0.13 -2.35 -0.05 0.00 0.13 0.00 0.00 42.46 40.05 3n3k s ILE 998 CO -0.02 0.46 -0.20 -1.61 -1.91 0.00 0.00 174.94 171.65 3n3k s GLU 999 N 1.38 1.64 -0.34 3.50 2.02 0.15 -4.00 118.70 123.04 3n3k s GLU 999 Ca 0.05 -1.72 -0.20 0.00 0.02 0.00 0.00 54.97 53.11 3n3k s GLU 999 Cb -0.14 -1.74 -0.00 0.00 0.10 0.00 0.00 34.13 32.35 3n3k s GLU 999 CO -0.05 0.33 0.64 0.42 0.02 0.00 0.00 175.26 176.62 3n3k s ILE 1000N -2.42 4.90 -0.15 -1.63 1.01 -1.26 -0.53 121.20 121.12 3n3k s ILE 1000Ca 0.28 0.67 -0.23 0.00 0.00 0.00 0.00 60.65 61.38 3n3k s ILE 1000Cb -0.05 -4.06 -0.20 0.00 0.01 0.00 0.00 42.46 38.16 3n3k s ILE 1000CO 0.14 -0.27 0.53 -0.25 0.00 0.00 0.00 174.94 175.08 3n3k h TRP 1001N 8.39 0.00 -3.56 3.97 2.91 -1.17 -0.57 115.95 125.92 3n3k h TRP 1001Ca -0.26 0.00 -0.13 0.00 1.13 0.00 0.00 58.89 59.62 3n3k h TRP 1001Cb 1.11 0.00 -0.19 0.00 -0.51 0.00 0.00 29.16 29.57 3n3k h TRP 1001CO 0.75 0.89 -0.47 -1.59 -1.03 0.00 0.00 178.44 177.00 3n3k s LYS 1002N -2.14 0.55 -0.04 2.65 -2.85 -0.67 -2.31 119.74 114.93 3n3k s LYS 1002Ca -0.18 -0.51 -0.02 0.00 -1.00 0.00 0.00 55.97 54.27 3n3k s LYS 1002Cb -0.01 0.23 -0.04 0.00 -2.06 0.00 0.00 37.83 35.95 3n3k s LYS 1002CO 0.55 -0.14 0.07 -0.51 0.10 0.00 0.00 175.35 175.42 3n3k s LEU 1003N -1.68 3.87 0.75 2.77 1.43 -1.26 -1.28 118.68 123.29 3n3k s LEU 1003Ca -0.11 0.18 -0.11 0.00 -1.03 0.00 0.00 54.13 53.07 3n3k s LEU 1003Cb -0.05 -2.13 0.04 0.00 0.03 0.00 0.00 46.19 44.08 3n3k s LEU 1003CO -0.01 0.32 1.08 -2.16 0.23 0.00 0.00 176.35 175.81 3n3k s PRO 1004N -1.43 2.46 0.34 1.29 0.04 -1.26 -4.80 135.00 131.64 3n3k s PRO 1004Ca 0.19 0.98 0.09 0.00 0.04 0.00 0.00 61.00 62.31 3n3k s PRO 1004Cb -0.12 -1.93 0.60 0.00 0.04 0.00 0.00 34.50 33.09 3n3k s PRO 1004CO 0.10 -1.45 1.79 -1.00 0.04 0.00 0.00 177.00 176.48 3n3k h PRO 1005N -0.98 0.18 -4.62 0.56 0.13 -1.80 -3.39 132.00 122.08 3n3k h PRO 1005Ca -0.44 -0.07 -0.69 0.00 -0.87 0.00 0.00 66.00 63.93 3n3k h PRO 1005Cb 1.23 -0.01 -0.34 0.00 0.13 0.00 0.00 31.00 32.01 3n3k h PRO 1005CO 0.55 0.49 -0.63 0.08 -0.23 0.00 0.00 178.00 178.26 3n3k s VAL 1006N -4.30 3.05 -0.25 1.56 1.01 -0.07 -1.13 120.40 120.27 3n3k s VAL 1006Ca -0.04 -1.82 -0.09 0.00 0.00 0.00 0.00 61.98 60.03 3n3k s VAL 1006Cb 0.14 -2.97 -0.04 0.00 0.00 0.00 0.00 36.38 33.51 3n3k s VAL 1006CO 0.75 -0.45 0.12 -0.22 0.00 0.00 0.00 175.10 175.30 3n3k s LEU 1007N 1.16 3.73 -0.26 3.92 2.96 0.36 -4.40 118.68 126.15 3n3k s LEU 1007Ca 0.03 -0.08 -0.09 0.00 -0.22 0.00 0.00 54.13 53.77 3n3k s LEU 1007Cb -0.21 -2.01 -0.04 0.00 0.50 0.00 0.00 46.19 44.43 3n3k s LEU 1007CO -0.03 -0.00 0.13 -0.76 -1.32 0.00 0.00 176.35 174.37 3n3k s LEU 1008N 1.45 3.80 -0.33 -0.68 1.02 -1.26 -0.41 118.68 122.27 3n3k s LEU 1008Ca 0.06 -0.07 0.01 0.00 0.02 0.00 0.00 54.13 54.16 3n3k s LEU 1008Cb -0.15 -2.03 0.09 0.00 0.02 0.00 0.00 46.19 44.11 3n3k s LEU 1008CO 0.06 -0.02 0.04 -0.69 0.02 0.00 0.00 176.35 175.76 3n3k s VAL 1009N 1.55 2.61 0.26 -1.59 1.01 -0.14 -0.75 120.40 123.35 3n3k s VAL 1009Ca 0.06 -1.97 -0.19 0.00 0.00 0.00 0.00 61.98 59.88 3n3k s VAL 1009Cb -0.15 -2.74 -0.09 0.00 0.00 0.00 0.00 36.38 33.40 3n3k s VAL 1009CO 0.07 -0.42 0.76 -2.28 0.00 0.00 0.00 175.10 173.23 3n3k s HIS 1010N 1.06 3.57 -0.19 5.22 2.46 0.45 -0.71 115.29 127.15 3n3k s HIS 1010Ca 0.03 1.39 -0.01 0.00 0.47 0.00 0.00 55.06 56.95 3n3k s HIS 1010Cb -0.20 -2.64 0.00 0.00 -0.13 0.00 0.00 32.58 29.62 3n3k s HIS 1010CO -0.05 0.25 -0.13 -0.51 -2.47 0.00 0.00 174.74 171.83 3n3k s LEU 1011N -2.27 2.50 -1.24 8.88 1.43 -0.48 -0.48 118.68 127.03 3n3k s LEU 1011Ca 0.47 -0.51 -0.21 0.00 -1.03 0.00 0.00 54.13 52.85 3n3k s LEU 1011Cb -0.15 -1.60 -0.01 0.00 0.03 0.00 0.00 46.19 44.46 3n3k s LEU 1011CO 0.20 0.01 1.84 -0.54 0.23 0.00 0.00 176.35 178.08 3n3k s LYS 1012N 1.29 3.20 -0.08 1.70 1.02 -0.00 -4.69 119.74 122.18 3n3k s LYS 1012Ca 0.04 -1.55 0.13 0.00 0.02 0.00 0.00 55.97 54.60 3n3k s LYS 1012Cb -0.14 -5.38 -0.23 0.00 -0.52 0.00 0.00 37.83 31.56 3n3k s LYS 1012CO -0.07 -3.16 0.54 0.54 -0.92 0.00 0.00 175.35 172.27 3n3k n ARG 1013N 8.35 0.65 -3.13 1.68 1.74 -1.26 -4.52 116.66 120.16 3n3k n ARG 1013Ca 0.47 0.24 -0.37 0.00 -0.77 0.00 0.00 57.85 57.42 3n3k n ARG 1013Cb 0.46 -1.74 -0.06 0.00 -1.02 0.00 0.00 32.46 30.10 3n3k n ARG 1013CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3n3k s PHE 1014N -2.58 3.69 0.35 -1.55 0.08 -1.26 -0.38 117.98 116.33 3n3k s PHE 1014Ca -0.07 1.37 -0.17 0.00 0.12 0.00 0.00 56.93 58.19 3n3k s PHE 1014Cb 0.08 -2.60 0.04 0.00 -0.57 0.00 0.00 43.02 39.97 3n3k s PHE 1014CO 0.82 0.39 0.74 -1.54 -0.10 0.00 0.00 175.22 175.53 3n3k s SER 1015N -1.55 -0.04 -0.12 1.36 1.04 -0.27 -4.99 113.70 109.13 3n3k s SER 1015Ca 0.40 -0.99 -0.04 0.00 0.48 0.00 0.00 55.95 55.81 3n3k s SER 1015Cb -0.17 0.80 0.05 0.00 0.10 0.00 0.00 66.02 66.79 3n3k s SER 1015CO 0.21 -1.55 0.08 -0.47 0.98 0.00 0.00 173.24 172.50 3n3k s TYR 1016N -2.91 0.11 -2.01 5.02 5.04 -1.26 -0.23 117.35 121.11 3n3k s TYR 1016Ca 0.15 -0.04 0.10 0.00 -2.44 0.00 0.00 57.07 54.84 3n3k s TYR 1016Cb -0.05 -0.58 0.57 0.00 0.35 0.00 0.00 41.96 42.25 3n3k s TYR 1016CO 0.10 -0.38 1.37 -0.40 -1.34 0.00 0.00 175.55 174.90 3n3k n ASP 1017N 5.29 0.11 0.00 4.32 5.68 -0.68 -4.84 116.55 126.43 3n3k n ASP 1017Ca -0.05 -1.71 0.00 0.00 -0.50 0.00 0.00 54.79 52.53 3n3k n ASP 1017Cb 0.49 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.46 3n3k n ASP 1017CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3n3k n GLY 1018N 0.68 1.93 0.98 6.12 0.00 -1.26 -4.81 105.19 108.82 3n3k n GLY 1018Ca 0.08 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.03 3n3k n GLY 1018CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3n3k n ARG 1019N 0.00 0.00 -4.33 1.61 0.63 -1.26 -5.11 116.66 108.20 3n3k n ARG 1019Ca 0.00 0.00 -0.27 0.00 -0.92 0.00 0.00 57.85 56.66 3n3k n ARG 1019Cb 0.00 -0.50 -0.10 0.00 0.45 0.00 0.00 32.46 32.31 3n3k n ARG 1019CO 0.00 0.00 0.00 -1.58 -2.51 0.00 0.00 177.63 173.54 3n3k s TRP 1020N -1.98 2.53 0.21 -0.14 0.52 -1.26 -5.12 118.94 113.70 3n3k s TRP 1020Ca 0.00 -0.26 -0.29 0.00 0.02 0.00 0.00 56.10 55.57 3n3k s TRP 1020Cb 0.00 -1.24 -0.08 0.00 -1.15 0.00 0.00 33.47 30.99 3n3k s TRP 1020CO 0.00 0.51 0.90 0.15 0.02 0.00 0.00 176.95 178.52 3n3k s LYS 1021N -2.77 4.77 0.07 4.98 1.02 -1.26 -1.69 119.74 124.86 3n3k s LYS 1021Ca 0.24 1.40 0.06 0.00 0.02 0.00 0.00 55.97 57.68 3n3k s LYS 1021Cb -0.09 -3.28 -0.03 0.00 -0.52 0.00 0.00 37.83 33.91 3n3k s LYS 1021CO 0.13 0.51 -0.17 -0.65 -0.92 0.00 0.00 175.35 174.26 3n3k s GLN 1022N -1.09 0.97 -0.10 1.68 -1.52 0.68 -4.96 119.66 115.32 3n3k s GLN 1022Ca 0.40 -0.99 0.03 0.00 -1.95 0.00 0.00 55.36 52.85 3n3k s GLN 1022Cb -0.25 -1.06 0.01 0.00 -0.22 0.00 0.00 33.01 31.48 3n3k s GLN 1022CO 0.30 0.25 -0.18 0.21 -0.25 0.00 0.00 175.29 175.62 3n3k s LYS 1023N -1.67 2.47 -0.09 2.91 2.20 -1.26 -1.12 119.74 123.18 3n3k s LYS 1023Ca 0.02 -0.67 -0.30 0.00 -0.36 0.00 0.00 55.97 54.66 3n3k s LYS 1023Cb -0.10 -1.98 -0.03 0.00 -1.51 0.00 0.00 37.83 34.22 3n3k s LYS 1023CO 0.03 0.04 1.21 -0.51 -0.36 0.00 0.00 175.35 175.76 3n3k s LEU 1024N 0.69 4.25 -0.32 5.43 1.43 0.49 -4.93 118.68 125.72 3n3k s LEU 1024Ca -0.12 1.77 0.09 0.00 -1.03 0.00 0.00 54.13 54.83 3n3k s LEU 1024Cb -0.16 -3.55 0.60 0.00 0.03 0.00 0.00 46.19 43.11 3n3k s LEU 1024CO 0.03 -0.64 1.64 0.00 0.23 0.00 0.00 176.35 177.61 3n3k n GLN 1025N 5.63 2.52 -1.63 1.70 6.02 -1.26 -4.81 117.38 125.55 3n3k n GLN 1025Ca 0.12 -3.07 -0.50 0.00 -0.01 0.00 0.00 57.00 53.54 3n3k n GLN 1025Cb 0.46 -1.99 -0.05 0.00 1.02 0.00 0.00 30.24 29.67 3n3k n GLN 1025CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 3n3k n THR 1026N -0.82 0.05 -2.47 5.09 -1.04 -1.26 -4.89 114.28 108.94 3n3k n THR 1026Ca 0.39 -0.01 -0.39 0.00 -2.04 0.00 0.00 64.05 62.00 3n3k n THR 1026Cb 1.24 -1.18 -0.03 0.00 -1.82 0.00 0.00 70.33 68.54 3n3k n THR 1026CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 3n3k s SER 1027N 1.06 6.17 -0.21 8.00 0.15 0.16 -4.81 113.70 124.22 3n3k s SER 1027Ca 0.84 -0.95 -0.22 0.00 0.70 0.00 0.00 55.95 56.32 3n3k s SER 1027Cb -0.84 -2.56 -0.02 0.00 -1.71 0.00 0.00 66.02 60.88 3n3k s SER 1027CO 0.45 -1.80 0.69 -0.69 1.20 0.00 0.00 173.24 173.09 3n3k s VAL 1028N 6.03 4.96 -0.31 4.45 1.01 -1.26 -2.83 120.40 132.45 3n3k s VAL 1028Ca 0.47 1.30 -0.22 0.00 0.00 0.00 0.00 61.98 63.52 3n3k s VAL 1028Cb -0.04 -4.00 -0.00 0.00 0.00 0.00 0.00 36.38 32.34 3n3k s VAL 1028CO 0.01 0.05 0.74 -0.62 0.00 0.00 0.00 175.10 175.27 3n3k s ASP 1029N 1.28 6.60 0.05 3.32 2.15 0.24 -4.86 116.67 125.45 3n3k s ASP 1029Ca 0.30 0.55 0.06 0.00 0.43 0.00 0.00 52.55 53.89 3n3k s ASP 1029Cb -0.16 -2.38 -0.03 0.00 -0.30 0.00 0.00 42.92 40.06 3n3k s ASP 1029CO 0.10 -0.58 -0.17 0.72 -0.17 0.00 0.00 175.17 175.06 3n3k s PHE 1030N 2.86 1.49 0.35 -5.34 -0.12 -1.26 -0.98 117.98 114.97 3n3k s PHE 1030Ca 0.30 -0.38 -0.12 0.00 -0.05 0.00 0.00 56.93 56.68 3n3k s PHE 1030Cb -0.14 -0.87 -0.07 0.00 -0.63 0.00 0.00 43.02 41.31 3n3k s PHE 1030CO 0.13 0.08 0.73 -1.25 -0.05 0.00 0.00 175.22 174.85 3n3k s PRO 1031N -1.33 3.86 0.13 1.99 0.04 -1.26 -4.97 135.00 133.46 3n3k s PRO 1031Ca 0.04 0.51 0.12 0.00 0.04 0.00 0.00 61.00 61.70 3n3k s PRO 1031Cb -0.09 -2.44 -0.13 0.00 0.04 0.00 0.00 34.50 31.89 3n3k s PRO 1031CO 0.02 0.08 1.16 -0.07 0.04 0.00 0.00 177.00 178.23 3n3k h LEU 1032N 1.77 0.00 -8.21 -3.56 4.07 -1.96 -3.42 115.31 104.01 3n3k h LEU 1032Ca -0.47 0.00 -0.32 0.00 0.08 0.00 0.00 57.88 57.16 3n3k h LEU 1032Cb 1.18 0.00 -0.22 0.00 1.08 0.00 0.00 40.66 42.70 3n3k h LEU 1032CO 0.65 0.80 -0.75 -1.61 -1.08 0.00 0.00 178.44 176.45 3n3k s GLU 1033N -2.79 0.62 -1.39 1.13 2.02 -1.26 -0.38 118.70 116.64 3n3k s GLU 1033Ca 0.00 -0.74 -0.07 0.00 0.02 0.00 0.00 54.97 54.18 3n3k s GLU 1033Cb 0.09 -0.47 0.04 0.00 0.10 0.00 0.00 34.13 33.88 3n3k s GLU 1033CO 0.80 0.10 0.92 0.09 0.02 0.00 0.00 175.26 177.19 3n3k n ASN 1034N 1.61 -3.51 -4.63 -0.19 5.03 -1.00 -4.92 115.26 107.65 3n3k n ASN 1034Ca -0.21 -0.74 -0.43 0.00 0.87 0.00 0.00 54.58 54.07 3n3k n ASN 1034Cb 0.55 -4.26 -0.02 0.00 -1.02 0.00 0.00 39.78 35.03 3n3k n ASN 1034CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 3n3k s LEU 1035N -6.98 3.89 -0.43 3.41 2.96 0.02 -4.79 118.68 116.77 3n3k s LEU 1035Ca 0.35 1.59 -0.13 0.00 -0.22 0.00 0.00 54.13 55.72 3n3k s LEU 1035Cb -0.17 -3.53 0.05 0.00 0.50 0.00 0.00 46.19 43.04 3n3k s LEU 1035CO 0.80 -1.25 0.31 -0.62 -1.32 0.00 0.00 176.35 174.27 3n3k s ASP 1036N 4.14 5.97 -0.10 3.68 -1.08 -1.26 -0.94 116.67 127.09 3n3k s ASP 1036Ca 0.70 -1.16 0.17 0.00 -0.52 0.00 0.00 52.55 51.74 3n3k s ASP 1036Cb -0.24 -2.11 0.64 0.00 -1.46 0.00 0.00 42.92 39.74 3n3k s ASP 1036CO 0.29 -0.52 1.55 0.18 0.52 0.00 0.00 175.17 177.19 3n3k n LEU 1037N 5.10 4.38 -0.13 -1.34 4.77 -1.26 -4.63 117.00 123.90 3n3k n LEU 1037Ca -0.12 -2.43 0.06 0.00 -0.03 0.00 0.00 56.01 53.50 3n3k n LEU 1037Cb 0.45 -0.52 0.38 0.00 -2.33 0.00 0.00 43.42 41.40 3n3k n LEU 1037CO 0.42 0.80 1.20 0.77 -1.33 0.00 0.00 177.39 179.25 3n3k h SER 1038N 3.56 0.59 -0.27 -1.43 4.64 -1.93 -1.73 113.55 116.98 3n3k h SER 1038Ca 0.00 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3n3k h SER 1038Cb 1.33 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 3n3k h SER 1038CO 0.19 0.39 0.00 0.00 -0.87 0.00 0.00 176.83 176.54 3n3k n GLN 1039N -4.47 1.81 -0.00 4.77 10.64 -1.26 -3.10 117.38 125.77 3n3k n GLN 1039Ca 0.08 -1.04 0.00 0.00 -1.83 0.00 0.00 57.00 54.21 3n3k n GLN 1039Cb 0.19 -1.33 0.01 0.00 -0.86 0.00 0.00 30.24 28.24 3n3k n GLN 1039CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 3n3k n TYR 1040N 0.30 0.01 -4.90 2.61 4.01 -0.66 -4.97 117.16 113.57 3n3k n TYR 1040Ca 0.10 -0.17 -0.33 0.00 -0.16 0.00 0.00 57.90 57.34 3n3k n TYR 1040Cb 0.31 -0.02 -0.15 0.00 -0.31 0.00 0.00 39.34 39.18 3n3k n TYR 1040CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 3n3k s VAL 1041N -0.37 2.82 -0.84 -0.72 1.01 -1.18 -4.15 120.40 116.97 3n3k s VAL 1041Ca 0.01 -0.75 0.14 0.00 0.00 0.00 0.00 61.98 61.37 3n3k s VAL 1041Cb 0.01 -2.15 -0.11 0.00 0.00 0.00 0.00 36.38 34.13 3n3k s VAL 1041CO 0.01 0.54 0.64 2.30 0.00 0.00 0.00 175.10 178.59 3n3k n ILE 1042N 3.35 0.00 -0.45 2.22 -5.35 -0.22 -4.97 119.36 113.94 3n3k n ILE 1042Ca -0.18 -0.22 0.00 0.00 -0.27 0.00 0.00 62.75 62.08 3n3k n ILE 1042Cb 0.53 1.05 0.00 0.00 -1.74 0.00 0.00 39.64 39.47 3n3k n ILE 1042CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3n3k n GLY 1043N 1.26 -0.68 3.71 3.28 0.00 -0.98 -5.02 105.19 106.77 3n3k n GLY 1043Ca 0.04 -1.67 -0.35 0.00 0.00 0.00 0.00 46.02 44.04 3n3k n GLY 1043CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3n3k s PRO 1044N -0.78 2.05 0.00 1.61 0.02 -1.26 -4.97 135.00 131.66 3n3k s PRO 1044Ca 0.00 1.85 0.09 0.00 0.02 0.00 0.00 61.00 62.96 3n3k s PRO 1044Cb 0.00 -1.81 0.16 0.00 0.02 0.00 0.00 34.50 32.87 3n3k s PRO 1044CO 0.00 -1.93 1.00 1.63 -0.33 0.00 0.00 177.00 177.37 3n3k n LYS 1045N -2.72 1.63 -0.31 5.54 4.76 -1.26 -4.72 118.16 121.08 3n3k n LYS 1045Ca 0.14 -1.51 -0.00 0.00 -2.87 0.00 0.00 58.31 54.07 3n3k n LYS 1045Cb 0.50 -1.19 0.18 0.00 -1.84 0.00 0.00 35.03 32.67 3n3k n LYS 1045CO 0.00 0.00 0.00 -0.91 -1.37 0.00 0.00 177.40 175.12 3n3k h ASN 1046N 1.68 1.01 -0.56 4.39 -0.26 -2.04 -2.81 115.58 116.99 3n3k h ASN 1046Ca 0.00 -0.02 -0.21 0.00 -0.56 0.00 0.00 56.30 55.50 3n3k h ASN 1046Cb 0.54 -0.25 -0.13 0.00 -1.06 0.00 0.00 38.32 37.42 3n3k h ASN 1046CO 0.00 0.72 0.17 -3.20 -1.06 0.00 0.00 177.43 174.06 3n3k n ASN 1047N -4.41 3.70 -4.32 5.81 5.15 -1.26 -4.96 115.26 114.96 3n3k n ASN 1047Ca 0.11 -3.43 -0.36 0.00 -0.60 0.00 0.00 54.58 50.30 3n3k n ASN 1047Cb 0.05 -0.69 -0.14 0.00 -0.53 0.00 0.00 39.78 38.47 3n3k n ASN 1047CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 3n3k s LEU 1048N -3.10 3.18 0.00 1.20 2.96 -1.06 -5.06 118.68 116.80 3n3k s LEU 1048Ca 0.50 -0.49 0.01 0.00 -0.22 0.00 0.00 54.13 53.92 3n3k s LEU 1048Cb 0.42 -1.78 -0.00 0.00 0.50 0.00 0.00 46.19 45.33 3n3k s LEU 1048CO 0.08 -0.07 0.03 2.29 -1.32 0.00 0.00 176.35 177.35 3n3k n LYS 1049N 4.81 0.96 -2.33 1.98 2.85 -1.26 -5.06 118.16 120.12 3n3k n LYS 1049Ca -0.17 -2.82 -0.31 0.00 -1.05 0.00 0.00 58.31 53.96 3n3k n LYS 1049Cb 0.50 0.93 -0.02 0.00 -0.65 0.00 0.00 35.03 35.78 3n3k n LYS 1049CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 3n3k s LYS 1050N -3.37 3.81 -0.06 -1.58 1.02 -1.26 -4.78 119.74 113.52 3n3k s LYS 1050Ca 0.04 0.79 0.02 0.00 0.02 0.00 0.00 55.97 56.83 3n3k s LYS 1050Cb 0.00 -2.17 -0.03 0.00 -0.52 0.00 0.00 37.83 35.12 3n3k s LYS 1050CO 0.03 -0.32 -0.09 0.71 -0.92 0.00 0.00 175.35 174.76 3n3k s TYR 1051N -2.75 2.87 0.04 3.18 2.02 -0.11 -4.31 117.35 118.30 3n3k s TYR 1051Ca 0.56 -0.03 0.07 0.00 -0.37 0.00 0.00 57.07 57.30 3n3k s TYR 1051Cb -0.10 -1.69 -0.03 0.00 -0.40 0.00 0.00 41.96 39.73 3n3k s TYR 1051CO 0.38 0.29 -0.16 -0.80 -1.57 0.00 0.00 175.55 173.70 3n3k s ASN 1052N -0.78 3.97 0.21 2.29 0.01 0.08 -0.80 114.94 119.93 3n3k s ASN 1052Ca 0.12 -0.39 -0.30 0.00 -0.71 0.00 0.00 52.86 51.58 3n3k s ASN 1052Cb -0.11 -0.69 -0.08 0.00 0.41 0.00 0.00 41.25 40.77 3n3k s ASN 1052CO 0.01 0.25 1.08 -0.22 -1.51 0.00 0.00 177.10 176.71 3n3k s LEU 1053N -1.53 4.53 0.00 0.60 2.96 0.48 -1.21 118.68 124.52 3n3k s LEU 1053Ca 0.16 2.12 0.00 0.00 -0.22 0.00 0.00 54.13 56.19 3n3k s LEU 1053Cb -0.11 -3.61 0.00 0.00 0.50 0.00 0.00 46.19 42.97 3n3k s LEU 1053CO 0.06 -0.15 0.00 2.22 -1.32 0.00 0.00 176.35 177.17 3n3k n PHE 1054N 1.91 0.00 -3.57 5.38 1.16 -0.36 -4.90 117.46 117.08 3n3k n PHE 1054Ca 0.01 0.00 -0.16 0.00 -1.87 0.00 0.00 57.45 55.43 3n3k n PHE 1054Cb 0.46 0.00 -0.06 0.00 -1.61 0.00 0.00 39.48 38.27 3n3k n PHE 1054CO 0.00 0.00 0.00 -1.12 -1.87 0.00 0.00 176.76 173.77 3n3k s SER 1055N -0.94 -0.52 -0.03 5.98 0.01 -1.20 -0.78 113.70 116.22 3n3k s SER 1055Ca 0.00 0.45 0.02 0.00 1.31 0.00 0.00 55.95 57.73 3n3k s SER 1055Cb 0.00 0.49 0.01 0.00 0.21 0.00 0.00 66.02 66.73 3n3k s SER 1055CO 0.00 -0.62 -0.06 -0.69 0.41 0.00 0.00 173.24 172.28 3n3k s VAL 1056N -1.60 0.59 -0.31 3.43 1.01 0.34 -0.55 120.40 123.30 3n3k s VAL 1056Ca -0.10 -0.23 -0.14 0.00 0.00 0.00 0.00 61.98 61.52 3n3k s VAL 1056Cb -0.01 -0.55 -0.03 0.00 0.00 0.00 0.00 36.38 35.79 3n3k s VAL 1056CO 0.05 0.20 0.30 -0.55 0.00 0.00 0.00 175.10 175.11 3n3k s SER 1057N 0.41 6.14 0.13 3.32 0.15 0.25 -1.14 113.70 122.95 3n3k s SER 1057Ca -0.06 -0.11 0.03 0.00 0.70 0.00 0.00 55.95 56.52 3n3k s SER 1057Cb -0.10 -2.17 -0.04 0.00 -1.71 0.00 0.00 66.02 62.01 3n3k s SER 1057CO 0.00 -0.22 0.18 0.20 1.20 0.00 0.00 173.24 174.60 3n3k s ASN 1058N 1.72 5.88 0.01 5.45 0.01 0.03 0.42 114.94 128.45 3n3k s ASN 1058Ca 0.10 0.04 0.03 0.00 -0.71 0.00 0.00 52.86 52.32 3n3k s ASN 1058Cb -0.16 -1.66 -0.01 0.00 0.41 0.00 0.00 41.25 39.83 3n3k s ASN 1058CO 0.11 0.10 -0.08 -2.28 -1.51 0.00 0.00 177.10 173.43 3n3k s HIS 1059N -1.64 0.74 -0.02 2.20 2.46 0.61 -1.90 115.29 117.74 3n3k s HIS 1059Ca 0.32 -0.22 0.03 0.00 0.47 0.00 0.00 55.06 55.66 3n3k s HIS 1059Cb -0.11 -0.46 -0.00 0.00 -0.13 0.00 0.00 32.58 31.87 3n3k s HIS 1059CO 0.25 -0.02 -0.10 0.71 -2.47 0.00 0.00 174.74 173.11 3n3k s TYR 1060N -0.49 1.02 0.00 3.88 2.02 0.49 -4.61 117.35 119.67 3n3k s TYR 1060Ca 0.00 -0.23 0.00 0.00 -0.37 0.00 0.00 57.07 56.47 3n3k s TYR 1060Cb -0.05 -0.69 0.00 0.00 -0.40 0.00 0.00 41.96 40.82 3n3k s TYR 1060CO 0.00 -0.07 0.00 0.41 -1.57 0.00 0.00 175.55 174.32 3n3k n GLY 1061N 3.09 -1.10 4.03 0.71 0.00 -1.26 -0.44 105.19 110.21 3n3k n GLY 1061Ca -0.16 -1.53 -0.20 0.00 0.00 0.00 0.00 46.02 44.12 3n3k n GLY 1061CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3n3k s GLY 1062N 0.00 1.73 0.00 -0.02 0.00 -1.26 -4.88 107.32 102.89 3n3k s GLY 1062Ca 0.00 -2.12 -0.25 0.00 0.00 0.00 0.00 44.72 42.35 3n3k s GLY 1062CO 0.00 -1.64 1.28 -2.00 0.00 0.00 0.00 173.10 170.74 3n3k h LEU 1063N 0.09 -0.16 -1.06 0.66 5.85 -1.93 0.86 115.31 119.61 3n3k h LEU 1063Ca -0.30 -0.29 -0.02 0.00 0.84 0.00 0.00 57.88 58.11 3n3k h LEU 1063Cb 1.29 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 42.32 3n3k h LEU 1063CO 0.40 0.23 0.38 0.44 -0.34 0.00 0.00 178.44 179.55 3n3k h ASP 1064N -0.57 0.94 0.00 1.25 3.32 -1.97 -3.24 116.42 116.14 3n3k h ASP 1064Ca -0.02 -0.09 -0.02 0.00 0.02 0.00 0.00 57.03 56.93 3n3k h ASP 1064Cb 0.44 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.72 3n3k h ASP 1064CO 0.03 0.77 -0.30 0.61 -1.72 0.00 0.00 179.24 178.63 3n3k n GLY 1065N -1.14 3.38 0.00 2.75 0.00 -1.25 -4.49 105.19 104.45 3n3k n GLY 1065Ca 0.07 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.27 3n3k n GLY 1065CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3n3k n GLY 1066N -0.83 0.32 3.19 -0.02 0.00 0.29 -4.76 105.19 103.39 3n3k n GLY 1066Ca 0.11 -1.85 -0.13 0.00 0.00 0.00 0.00 46.02 44.15 3n3k n GLY 1066CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3n3k s HIS 1067N 0.32 -0.31 0.00 1.61 2.46 0.41 -4.97 115.29 114.80 3n3k s HIS 1067Ca 0.00 0.75 0.02 0.00 0.47 0.00 0.00 55.06 56.30 3n3k s HIS 1067Cb 0.00 0.11 -0.04 0.00 -0.13 0.00 0.00 32.58 32.52 3n3k s HIS 1067CO 0.00 -0.18 0.00 0.71 -2.47 0.00 0.00 174.74 172.80 3n3k s TYR 1068N -0.00 3.07 0.35 3.88 2.02 -1.26 -0.38 117.35 125.04 3n3k s TYR 1068Ca -0.01 0.08 0.04 0.00 -0.37 0.00 0.00 57.07 56.80 3n3k s TYR 1068Cb -0.03 -1.66 -0.04 0.00 -0.40 0.00 0.00 41.96 39.84 3n3k s TYR 1068CO 0.01 0.46 0.14 0.95 -1.57 0.00 0.00 175.55 175.54 3n3k s THR 1069N -1.10 0.56 -0.00 -0.71 -4.23 -0.80 -4.76 115.64 104.60 3n3k s THR 1069Ca 0.20 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.75 3n3k s THR 1069Cb -0.12 -2.48 -0.01 0.00 1.34 0.00 0.00 72.50 71.23 3n3k s THR 1069CO 0.11 0.00 -0.12 0.00 -0.54 0.00 0.00 174.62 174.07 3n3k s ALA 1070N -3.38 1.02 -0.16 3.99 0.00 -0.48 -0.79 121.76 121.96 3n3k s ALA 1070Ca 0.31 -0.56 -0.01 0.00 0.00 0.00 0.00 51.96 51.69 3n3k s ALA 1070Cb 0.04 -0.24 -0.01 0.00 0.00 0.00 0.00 23.12 22.91 3n3k s ALA 1070CO 0.16 0.24 -0.10 0.71 0.00 0.00 0.00 175.76 176.77 3n3k s TYR 1071N -0.36 2.86 -0.01 0.00 2.02 -0.29 0.33 117.35 121.90 3n3k s TYR 1071Ca 0.04 -0.73 0.02 0.00 -0.37 0.00 0.00 57.07 56.03 3n3k s TYR 1071Cb -0.05 -1.92 -0.00 0.00 -0.40 0.00 0.00 41.96 39.59 3n3k s TYR 1071CO -0.00 -0.31 -0.07 0.00 -1.57 0.00 0.00 175.55 173.60 3n3k s LYS 1073N -0.08 3.89 -0.20 0.00 2.20 0.04 -0.65 119.74 124.95 3n3k s LYS 1073Ca 0.02 0.77 -0.29 0.00 -0.36 0.00 0.00 55.97 56.10 3n3k s LYS 1073Cb -0.04 -3.81 -0.02 0.00 -1.51 0.00 0.00 37.83 32.46 3n3k s LYS 1073CO -0.00 -1.05 1.35 1.21 -0.36 0.00 0.00 175.35 176.50 3n3k s ASN 1074N 1.95 6.77 0.13 1.43 3.84 -0.23 -4.91 114.94 123.92 3n3k s ASN 1074Ca 0.44 1.60 -0.12 0.00 0.21 0.00 0.00 52.86 54.98 3n3k s ASN 1074Cb -0.11 -2.54 -0.05 0.00 -0.55 0.00 0.00 41.25 38.01 3n3k s ASN 1074CO 0.21 -0.93 1.47 0.00 -2.79 0.00 0.00 177.10 175.06 3n3k h ALA 1075N 8.95 0.54 -0.58 1.71 0.00 -1.95 0.33 119.26 128.25 3n3k h ALA 1075Ca -0.28 -0.43 0.02 0.00 0.00 0.00 0.00 54.91 54.21 3n3k h ALA 1075Cb 1.11 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 3n3k h ALA 1075CO 0.99 0.60 0.37 0.00 0.00 0.00 0.00 179.25 181.21 3n3k h ALA 1076N 0.76 0.74 0.00 0.00 0.00 -1.97 -3.13 119.26 115.67 3n3k h ALA 1076Ca 0.06 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3n3k h ALA 1076Cb 0.92 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.50 3n3k h ALA 1076CO 0.08 0.13 -0.77 0.54 0.00 0.00 0.00 179.25 179.24 3n3k n ARG 1077N -4.71 0.02 -3.94 0.00 1.74 -1.16 -4.98 116.66 103.63 3n3k n ARG 1077Ca 0.04 -0.00 -0.26 0.00 -0.77 0.00 0.00 57.85 56.86 3n3k n ARG 1077Cb 0.05 -1.51 -0.01 0.00 -1.02 0.00 0.00 32.46 29.97 3n3k n ARG 1077CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 3n3k n GLN 1078N -1.53 -3.68 -3.90 5.56 1.13 0.09 -5.00 117.38 110.05 3n3k n GLN 1078Ca 0.05 0.45 -0.10 0.00 -1.94 0.00 0.00 57.00 55.46 3n3k n GLN 1078Cb 0.34 -4.75 -0.06 0.00 0.11 0.00 0.00 30.24 25.88 3n3k n GLN 1078CO 0.00 0.00 0.00 -0.98 -1.44 0.00 0.00 177.06 174.64 3n3k s ARG 1079N -6.50 1.22 0.06 -1.09 1.70 -1.19 -5.00 118.95 108.15 3n3k s ARG 1079Ca 0.12 -1.10 -0.11 0.00 -0.47 0.00 0.00 55.73 54.18 3n3k s ARG 1079Cb -0.06 0.42 -0.06 0.00 -0.57 0.00 0.00 34.95 34.68 3n3k s ARG 1079CO 0.88 -0.47 0.40 -1.58 -1.08 0.00 0.00 175.30 173.45 3n3k s TRP 1080N -3.94 3.61 0.05 5.89 0.52 -1.26 -1.07 118.94 122.74 3n3k s TRP 1080Ca 0.15 0.83 0.05 0.00 0.02 0.00 0.00 56.10 57.15 3n3k s TRP 1080Cb 0.02 -2.18 -0.03 0.00 -1.15 0.00 0.00 33.47 30.13 3n3k s TRP 1080CO -0.00 0.54 -0.15 -0.06 0.02 0.00 0.00 176.95 177.30 3n3k s PHE 1081N -1.34 1.27 -0.18 -1.98 0.08 0.18 -2.57 117.98 113.43 3n3k s PHE 1081Ca 0.31 -0.40 -0.13 0.00 0.12 0.00 0.00 56.93 56.84 3n3k s PHE 1081Cb -0.14 -0.74 -0.05 0.00 -0.57 0.00 0.00 43.02 41.52 3n3k s PHE 1081CO 0.17 0.05 0.26 0.21 -0.10 0.00 0.00 175.22 175.81 3n3k s LYS 1082N -1.40 4.21 -0.35 0.44 2.20 0.67 -0.95 119.74 124.57 3n3k s LYS 1082Ca 0.01 0.01 -0.02 0.00 -0.36 0.00 0.00 55.97 55.61 3n3k s LYS 1082Cb -0.09 -3.45 0.08 0.00 -1.51 0.00 0.00 37.83 32.86 3n3k s LYS 1082CO 0.02 0.19 0.09 -0.06 -0.36 0.00 0.00 175.35 175.23 3n3k s PHE 1083N 0.63 3.45 -0.56 4.03 0.08 0.15 -1.68 117.98 124.09 3n3k s PHE 1083Ca 0.14 -2.23 0.03 0.00 0.12 0.00 0.00 56.93 54.99 3n3k s PHE 1083Cb -0.13 -2.65 0.14 0.00 -0.57 0.00 0.00 43.02 39.81 3n3k s PHE 1083CO 0.03 -0.89 0.32 0.34 -0.10 0.00 0.00 175.22 174.93 3n3k s ASP 1084N 1.44 4.55 1.30 1.36 2.15 -0.68 -1.38 116.67 125.42 3n3k s ASP 1084Ca 0.02 -3.07 0.00 0.00 0.43 0.00 0.00 52.55 49.93 3n3k s ASP 1084Cb -0.21 -1.68 0.00 0.00 -0.30 0.00 0.00 42.92 40.73 3n3k s ASP 1084CO -0.03 -0.24 0.00 0.47 -0.17 0.00 0.00 175.17 175.20 3n3k n ASP 1085N 3.06 0.00 0.14 -0.34 8.00 -1.26 -1.74 116.55 124.41 3n3k n ASP 1085Ca 0.07 0.00 0.13 0.00 0.71 0.00 0.00 54.79 55.70 3n3k n ASP 1085Cb 0.33 0.00 0.45 0.00 -0.02 0.00 0.00 41.12 41.88 3n3k n ASP 1085CO 0.00 0.00 0.00 1.12 -0.39 0.00 0.00 177.20 177.93 3n3k h HIS 1086N 0.00 0.00 -3.36 1.24 2.07 -1.64 0.26 115.15 113.71 3n3k h HIS 1086Ca 0.00 0.00 -0.62 0.00 -2.85 0.00 0.00 60.37 56.90 3n3k h HIS 1086Cb 0.00 0.00 -0.16 0.00 2.57 0.00 0.00 27.41 29.82 3n3k h HIS 1086CO 0.00 0.00 -0.55 -1.83 -3.07 0.00 0.00 177.93 172.48 3n3k s GLU 1087N -3.25 4.00 -0.20 5.12 -1.05 -0.71 -4.25 118.70 118.36 3n3k s GLU 1087Ca 0.07 -0.32 -0.02 0.00 -0.15 0.00 0.00 54.97 54.55 3n3k s GLU 1087Cb 0.10 -3.31 -0.00 0.00 -0.44 0.00 0.00 34.13 30.48 3n3k s GLU 1087CO 0.52 0.21 -0.09 0.08 0.95 0.00 0.00 175.26 176.93 3n3k s VAL 1088N 0.58 3.06 0.16 1.83 1.01 -1.26 -1.68 120.40 124.10 3n3k s VAL 1088Ca 0.05 -0.61 0.04 0.00 0.00 0.00 0.00 61.98 61.46 3n3k s VAL 1088Cb -0.13 -2.36 -0.05 0.00 0.00 0.00 0.00 36.38 33.85 3n3k s VAL 1088CO 0.01 0.46 -0.08 -0.94 0.00 0.00 0.00 175.10 174.55 3n3k s SER 1089N 1.26 1.77 0.31 3.32 1.04 -0.67 -4.97 113.70 115.75 3n3k s SER 1089Ca 0.03 -1.06 -0.28 0.00 0.48 0.00 0.00 55.95 55.12 3n3k s SER 1089Cb -0.14 0.00 -0.09 0.00 0.10 0.00 0.00 66.02 65.88 3n3k s SER 1089CO -0.04 -0.38 1.10 -1.81 0.98 0.00 0.00 173.24 173.09 3n3k s ASP 1090N -3.19 7.13 0.01 7.02 1.01 -1.26 -0.24 116.67 127.14 3n3k s ASP 1090Ca 0.19 2.24 0.02 0.00 0.71 0.00 0.00 52.55 55.71 3n3k s ASP 1090Cb 0.03 -2.62 -0.01 0.00 1.01 0.00 0.00 42.92 41.33 3n3k s ASP 1090CO 0.02 -0.24 -0.05 -0.51 0.21 0.00 0.00 175.17 174.60 3n3k s ILE 1091N -1.26 0.39 0.28 0.77 2.07 -1.06 -4.74 121.20 117.64 3n3k s ILE 1091Ca 0.48 -0.50 -0.24 0.00 -1.41 0.00 0.00 60.65 58.98 3n3k s ILE 1091Cb -0.30 -0.38 -0.09 0.00 0.13 0.00 0.00 42.46 41.81 3n3k s ILE 1091CO 0.39 -0.08 0.85 -0.94 -1.91 0.00 0.00 174.94 173.25 3n3k s SER 1092N -0.62 7.23 0.40 4.50 1.04 -1.26 -4.19 113.70 120.80 3n3k s SER 1092Ca -0.03 1.67 0.23 0.00 0.48 0.00 0.00 55.95 58.30 3n3k s SER 1092Cb -0.05 -2.51 1.26 0.00 0.10 0.00 0.00 66.02 64.82 3n3k s SER 1092CO -0.00 -0.02 1.66 0.58 0.98 0.00 0.00 173.24 176.44 3n3k h VAL 1093N 2.67 0.25 0.00 5.02 2.07 -2.01 0.13 116.25 124.38 3n3k h VAL 1093Ca -0.47 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 66.98 3n3k h VAL 1093Cb 1.19 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 3n3k h VAL 1093CO 0.65 0.04 0.00 -1.54 0.02 0.00 0.00 177.57 176.74 3n3k n SER 1094N -4.82 0.21 0.02 0.57 3.41 -1.26 -2.69 113.62 109.06 3n3k n SER 1094Ca 0.33 0.53 0.12 0.00 -0.26 0.00 0.00 58.87 59.58 3n3k n SER 1094Cb 1.18 -0.58 0.12 0.00 -0.26 0.00 0.00 64.21 64.68 3n3k n SER 1094CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3n3k n SER 1095N -1.70 0.62 -0.21 4.04 7.64 0.45 -4.48 113.62 119.98 3n3k n SER 1095Ca 0.06 -0.27 -0.09 0.00 1.01 0.00 0.00 58.87 59.58 3n3k n SER 1095Cb 0.32 0.50 0.02 0.00 -1.01 0.00 0.00 64.21 64.04 3n3k n SER 1095CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 3n3k h VAL 1096N 0.00 1.26 -3.50 0.44 2.07 -1.50 -3.39 116.25 111.63 3n3k h VAL 1096Ca 0.00 -1.05 -0.57 0.00 0.82 0.00 0.00 66.70 65.90 3n3k h VAL 1096Cb 0.61 0.79 -0.07 0.00 -1.52 0.00 0.00 31.29 31.10 3n3k h VAL 1096CO 0.00 0.38 0.80 -0.75 0.02 0.00 0.00 177.57 178.02 3n3k s LYS 1097N -5.13 3.87 0.27 1.57 2.20 -1.26 -4.98 119.74 116.28 3n3k s LYS 1097Ca -0.12 0.74 -0.04 0.00 -0.36 0.00 0.00 55.97 56.19 3n3k s LYS 1097Cb 0.13 -3.82 -0.02 0.00 -1.51 0.00 0.00 37.83 32.62 3n3k s LYS 1097CO 0.84 -1.08 0.35 -1.54 -0.36 0.00 0.00 175.35 173.56 3n3k s SER 1098N 2.00 0.46 0.00 1.43 1.04 -1.26 -5.03 113.70 112.33 3n3k s SER 1098Ca 0.44 -1.32 0.29 0.00 0.48 0.00 0.00 55.95 55.85 3n3k s SER 1098Cb -0.10 0.55 1.50 0.00 0.10 0.00 0.00 66.02 68.06 3n3k s SER 1098CO 0.22 -1.09 2.02 -1.54 0.98 0.00 0.00 173.24 173.83 3n3k n SER 1099N -0.77 0.00 0.09 7.02 3.41 -1.26 -3.17 113.62 118.94 3n3k n SER 1099Ca 0.01 -0.19 0.13 0.00 -0.26 0.00 0.00 58.87 58.56 3n3k n SER 1099Cb 0.63 -0.26 0.44 0.00 -0.26 0.00 0.00 64.21 64.76 3n3k n SER 1099CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3n3k n ALA 1100N -1.26 2.24 -1.66 7.33 0.00 -1.26 -4.75 120.51 121.14 3n3k n ALA 1100Ca 0.14 -0.03 -0.47 0.00 0.00 0.00 0.00 53.44 53.09 3n3k n ALA 1100Cb 0.22 -1.46 -0.04 0.00 0.00 0.00 0.00 19.45 18.17 3n3k n ALA 1100CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3n3k n ALA 1101N -1.74 1.06 -0.01 0.00 0.00 -1.19 -0.28 120.51 118.35 3n3k n ALA 1101Ca 0.06 0.44 -0.02 0.00 0.00 0.00 0.00 53.44 53.92 3n3k n ALA 1101Cb 0.40 -2.33 -0.01 0.00 0.00 0.00 0.00 19.45 17.52 3n3k n ALA 1101CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 3n3k n TYR 1102N 3.54 0.00 -4.07 0.00 9.36 0.17 -4.83 117.16 121.33 3n3k n TYR 1102Ca 0.18 0.00 -0.24 0.00 3.32 0.00 0.00 57.90 61.15 3n3k n TYR 1102Cb 0.28 -0.06 -0.17 0.00 -0.63 0.00 0.00 39.34 38.75 3n3k n TYR 1102CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 3n3k s ILE 1103N -2.03 0.85 -0.07 2.97 1.01 -0.84 -1.38 121.20 121.71 3n3k s ILE 1103Ca -0.02 -0.23 -0.10 0.00 0.00 0.00 0.00 60.65 60.30 3n3k s ILE 1103Cb 0.01 -0.87 -0.05 0.00 0.01 0.00 0.00 42.46 41.56 3n3k s ILE 1103CO 0.03 0.32 0.26 -0.76 0.00 0.00 0.00 174.94 174.79 3n3k s LEU 1104N 1.40 4.42 -0.24 2.97 1.43 0.11 -0.58 118.68 128.19 3n3k s LEU 1104Ca -0.02 0.68 -0.02 0.00 -1.03 0.00 0.00 54.13 53.75 3n3k s LEU 1104Cb -0.13 -2.30 0.02 0.00 0.03 0.00 0.00 46.19 43.81 3n3k s LEU 1104CO -0.04 0.37 -0.07 -0.36 0.23 0.00 0.00 176.35 176.48 3n3k s PHE 1105N -1.01 3.05 0.07 0.29 0.08 0.29 -0.97 117.98 119.77 3n3k s PHE 1105Ca 0.19 -1.53 0.10 0.00 0.12 0.00 0.00 56.93 55.80 3n3k s PHE 1105Cb -0.14 -2.05 -0.03 0.00 -0.57 0.00 0.00 43.02 40.23 3n3k s PHE 1105CO 0.08 -0.72 -0.26 0.71 -0.10 0.00 0.00 175.22 174.92 3n3k s TYR 1106N 1.33 2.26 0.05 0.36 2.02 0.46 -1.22 117.35 122.61 3n3k s TYR 1106Ca 0.01 -0.40 0.03 0.00 -0.37 0.00 0.00 57.07 56.33 3n3k s TYR 1106Cb -0.16 -1.31 -0.03 0.00 -0.40 0.00 0.00 41.96 40.06 3n3k s TYR 1106CO -0.05 0.19 -0.09 -0.08 -1.57 0.00 0.00 175.55 173.95 3n3k s THR 1107N -0.89 0.64 -0.44 -0.71 -1.32 -0.35 0.13 115.64 112.72 3n3k s THR 1107Ca 0.12 -1.20 0.07 0.00 -1.21 0.00 0.00 61.69 59.47 3n3k s THR 1107Cb -0.10 -0.78 0.20 0.00 -1.51 0.00 0.00 72.50 70.30 3n3k s THR 1107CO 0.03 -0.41 1.16 -1.54 -2.21 0.00 0.00 174.62 171.65 3n3k n SER 1108N 1.28 2.58 -0.06 8.08 3.41 -0.28 -0.74 113.62 127.89 3n3k n SER 1108Ca -0.21 -2.15 0.15 0.00 -0.26 0.00 0.00 58.87 56.40 3n3k n SER 1108Cb 0.55 -0.17 0.80 0.00 -0.26 0.00 0.00 64.21 65.13 3n3k n SER 1108CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3n3k n LEU 1109N -0.11 0.22 0.00 1.04 4.77 -1.26 -4.88 117.00 116.79 3n3k n LEU 1109Ca 0.08 0.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 3n3k n LEU 1109Cb 0.40 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 3n3k n LEU 1109CO 0.05 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 176.76