#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d7l s LYS 2 N 0.00 0.29 -0.12 0.00 2.20 -1.26 -4.91 119.74 115.94 3d7l s LYS 2 Ca 0.00 0.58 0.03 0.00 -0.36 0.00 0.00 55.97 56.22 3d7l s LYS 2 Cb 0.00 0.20 -0.00 0.00 -1.51 0.00 0.00 37.83 36.52 3d7l s LYS 2 CO 0.00 -0.08 -0.21 0.42 -0.36 0.00 0.00 175.35 175.12 3d7l s ILE 3 N 1.76 2.28 -0.29 5.43 1.01 0.74 -0.39 121.20 131.74 3d7l s ILE 3 Ca -0.06 -0.93 -0.17 0.00 0.00 0.00 0.00 60.65 59.49 3d7l s ILE 3 Cb -0.04 -1.90 -0.02 0.00 0.01 0.00 0.00 42.46 40.50 3d7l s ILE 3 CO -0.15 0.55 0.46 -0.22 0.00 0.00 0.00 174.94 175.57 3d7l s LEU 4 N 0.45 4.15 -0.27 2.97 2.96 0.32 0.27 118.68 129.52 3d7l s LEU 4 Ca -0.15 0.25 -0.02 0.00 -0.22 0.00 0.00 54.13 53.99 3d7l s LEU 4 Cb -0.17 -2.54 0.03 0.00 0.50 0.00 0.00 46.19 44.01 3d7l s LEU 4 CO 0.06 -0.31 -0.02 -0.22 -1.32 0.00 0.00 176.35 174.54 3d7l s LEU 5 N 2.24 3.54 -0.23 -0.68 2.96 0.26 -0.85 118.68 125.92 3d7l s LEU 5 Ca 0.18 -1.01 -0.15 0.00 -0.22 0.00 0.00 54.13 52.93 3d7l s LEU 5 Cb -0.16 -1.71 -0.04 0.00 0.50 0.00 0.00 46.19 44.79 3d7l s LEU 5 CO 0.11 -0.19 0.36 -0.63 -1.32 0.00 0.00 176.35 174.68 3d7l s ILE 6 N 1.32 5.21 0.00 6.68 1.01 -0.18 -0.88 121.20 134.36 3d7l s ILE 6 Ca -0.02 0.60 0.00 0.00 0.00 0.00 0.00 60.65 61.23 3d7l s ILE 6 Cb -0.18 -3.69 0.00 0.00 0.01 0.00 0.00 42.46 38.60 3d7l s ILE 6 CO -0.02 0.24 0.00 0.61 0.00 0.00 0.00 174.94 175.76 3d7l n GLY 7 N 4.19 1.36 0.27 6.18 0.00 0.85 -1.05 105.19 117.00 3d7l n GLY 7 Ca -0.09 -0.26 0.18 0.00 0.00 0.00 0.00 46.02 45.86 3d7l n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d7l h ALA 8 N 0.00 1.00 -0.01 4.61 0.00 -1.70 -2.79 119.26 120.37 3d7l h ALA 8 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3d7l h ALA 8 Cb 0.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3d7l h ALA 8 CO 0.00 0.00 -0.24 -1.13 0.00 0.00 0.00 179.25 177.88 3d7l n SER 9 N -2.87 1.53 -4.35 0.00 3.41 -1.26 -2.12 113.62 107.97 3d7l n SER 9 Ca -0.01 -1.26 -0.29 0.00 -0.26 0.00 0.00 58.87 57.05 3d7l n SER 9 Cb 0.14 0.18 0.18 0.00 -0.26 0.00 0.00 64.21 64.45 3d7l n SER 9 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3d7l s GLY 10 N -2.36 1.64 0.08 5.00 0.00 -1.05 -4.78 107.32 105.86 3d7l s GLY 10 Ca 0.26 -0.84 -0.27 0.00 0.00 0.00 0.00 44.72 43.87 3d7l s GLY 10 CO 0.48 -0.13 1.69 -0.84 0.00 0.00 0.00 173.10 174.30 3d7l h THR 11 N -1.81 0.73 0.37 0.90 2.02 -1.91 -0.45 112.91 112.76 3d7l h THR 11 Ca -0.47 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 66.69 3d7l h THR 11 Cb 1.29 0.73 0.00 0.00 -1.74 0.00 0.00 68.15 68.44 3d7l h THR 11 CO 0.48 0.00 -0.18 0.25 0.37 0.00 0.00 175.52 176.44 3d7l h LEU 12 N -0.36 -0.43 -1.33 2.58 6.46 -1.92 -2.64 115.31 117.67 3d7l h LEU 12 Ca -0.04 0.00 0.11 0.00 -0.12 0.00 0.00 57.88 57.83 3d7l h LEU 12 Cb 0.28 0.11 -0.06 0.00 -0.73 0.00 0.00 40.66 40.26 3d7l h LEU 12 CO 0.06 -0.29 0.54 1.23 -0.62 0.00 0.00 178.44 179.36 3d7l h GLY 13 N -0.53 1.09 0.86 3.75 0.00 -1.65 0.11 103.07 106.71 3d7l h GLY 13 Ca -0.05 -0.30 -0.02 0.00 0.00 0.00 0.00 47.33 46.96 3d7l h GLY 13 CO 0.08 0.16 0.06 1.76 0.00 0.00 0.00 176.54 178.60 3d7l h SER 14 N 0.73 0.31 -0.52 0.19 0.02 -0.53 0.85 113.55 114.60 3d7l h SER 14 Ca 0.39 -0.22 0.02 0.00 -0.84 0.00 0.00 61.79 61.14 3d7l h SER 14 Cb 0.52 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 62.94 3d7l h SER 14 CO -0.16 0.45 0.32 0.00 -1.14 0.00 0.00 176.83 176.31 3d7l h ALA 15 N 0.88 0.66 -0.21 3.77 0.00 -0.94 -0.61 119.26 122.81 3d7l h ALA 15 Ca 0.07 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3d7l h ALA 15 Cb 0.25 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3d7l h ALA 15 CO -0.00 0.05 0.13 0.28 0.00 0.00 0.00 179.25 179.71 3d7l h VAL 16 N 0.65 1.07 -0.48 0.00 2.07 -0.87 -2.94 116.25 115.75 3d7l h VAL 16 Ca 0.20 -0.14 0.05 0.00 0.82 0.00 0.00 66.70 67.62 3d7l h VAL 16 Cb -0.02 0.79 -0.04 0.00 -1.52 0.00 0.00 31.29 30.49 3d7l h VAL 16 CO -0.07 0.06 0.22 0.50 0.02 0.00 0.00 177.57 178.30 3d7l h LYS 17 N 0.27 0.42 -0.62 1.57 3.64 -0.45 -1.43 116.57 119.97 3d7l h LYS 17 Ca 0.08 -0.03 0.10 0.00 -1.27 0.00 0.00 60.65 59.54 3d7l h LYS 17 Cb -0.01 -0.10 -0.08 0.00 -0.41 0.00 0.00 32.23 31.64 3d7l h LYS 17 CO -0.02 0.28 0.20 1.49 -2.27 0.00 0.00 179.45 179.13 3d7l h GLU 18 N 0.43 0.34 -0.10 1.90 4.81 -0.99 -1.76 114.58 119.22 3d7l h GLU 18 Ca 0.21 -0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 59.35 3d7l h GLU 18 Cb 0.15 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.46 3d7l h GLU 18 CO -0.17 0.23 -0.23 0.00 -0.73 0.00 0.00 179.01 178.10 3d7l h ARG 19 N 0.35 0.33 -0.37 1.92 3.08 -1.30 -3.37 114.38 115.02 3d7l h ARG 19 Ca 0.32 -0.22 -0.14 0.00 0.07 0.00 0.00 59.98 60.00 3d7l h ARG 19 Cb 0.43 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.51 3d7l h ARG 19 CO -0.35 0.83 -0.33 -0.07 -1.07 0.00 0.00 179.97 178.98 3d7l h LEU 20 N -0.13 0.88 -0.46 3.04 4.07 -0.97 -3.06 115.31 118.67 3d7l h LEU 20 Ca -0.00 -0.37 0.00 0.00 0.08 0.00 0.00 57.88 57.59 3d7l h LEU 20 Cb 0.84 -0.24 0.00 0.00 1.08 0.00 0.00 40.66 42.33 3d7l h LEU 20 CO 0.05 1.13 0.00 -1.84 -1.08 0.00 0.00 178.44 176.70 3d7l n GLU 21 N -4.07 0.13 0.27 1.13 0.28 -0.69 -1.13 120.64 116.56 3d7l n GLU 21 Ca -0.01 0.36 0.16 0.00 -0.16 0.00 0.00 57.16 57.50 3d7l n GLU 21 Cb 0.51 -1.75 0.65 0.00 1.43 0.00 0.00 31.44 32.27 3d7l n GLU 21 CO 0.00 0.00 0.00 0.87 -0.16 0.00 0.00 177.13 177.84 3d7l h LYS 22 N 0.00 0.00 0.00 3.44 1.57 -1.69 -3.31 116.57 116.58 3d7l h LYS 22 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3d7l h LYS 22 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.65 3d7l h LYS 22 CO 0.00 0.05 0.00 1.63 -0.57 0.00 0.00 179.45 180.56 3d7l n LYS 23 N -3.18 2.22 -3.45 3.15 5.02 -0.29 -5.09 118.16 116.55 3d7l n LYS 23 Ca 0.00 -0.22 -0.11 0.00 -2.02 0.00 0.00 58.31 55.96 3d7l n LYS 23 Cb 0.33 -0.68 -0.02 0.00 -0.02 0.00 0.00 35.03 34.63 3d7l n LYS 23 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3d7l s ALA 24 N -0.38 -1.68 -0.23 7.82 0.00 -0.75 -4.99 121.76 121.55 3d7l s ALA 24 Ca 0.00 0.68 -0.29 0.00 0.00 0.00 0.00 51.96 52.35 3d7l s ALA 24 Cb 0.00 0.71 -0.00 0.00 0.00 0.00 0.00 23.12 23.83 3d7l s ALA 24 CO 0.00 -0.73 1.23 -2.00 0.00 0.00 0.00 175.76 174.26 3d7l s GLU 25 N -3.49 4.13 -0.25 0.00 2.12 -1.26 -4.25 118.70 115.70 3d7l s GLU 25 Ca 0.02 1.45 -0.10 0.00 0.36 0.00 0.00 54.97 56.70 3d7l s GLU 25 Cb -0.01 -3.78 -0.05 0.00 0.26 0.00 0.00 34.13 30.55 3d7l s GLU 25 CO -0.11 -0.84 0.15 0.08 -0.54 0.00 0.00 175.26 174.00 3d7l s VAL 26 N 3.74 5.22 -0.24 3.70 1.01 -1.26 -0.19 120.40 132.38 3d7l s VAL 26 Ca 0.53 0.13 -0.14 0.00 0.00 0.00 0.00 61.98 62.51 3d7l s VAL 26 Cb -0.19 -3.44 -0.04 0.00 0.00 0.00 0.00 36.38 32.71 3d7l s VAL 26 CO 0.16 0.32 0.31 -0.63 0.00 0.00 0.00 175.10 175.27 3d7l s ILE 27 N 1.27 5.24 0.13 2.22 -1.09 0.14 -4.97 121.20 124.14 3d7l s ILE 27 Ca 0.07 0.48 -0.08 0.00 -2.23 0.00 0.00 60.65 58.89 3d7l s ILE 27 Cb -0.14 -3.64 -0.06 0.00 -1.58 0.00 0.00 42.46 37.04 3d7l s ILE 27 CO 0.06 0.24 0.41 0.42 -1.23 0.00 0.00 174.94 174.85 3d7l s THR 28 N 1.56 5.10 0.03 2.92 -4.23 -1.26 -0.57 115.64 119.18 3d7l s THR 28 Ca 0.14 0.29 0.02 0.00 -1.18 0.00 0.00 61.69 60.95 3d7l s THR 28 Cb -0.15 -3.63 -0.02 0.00 1.34 0.00 0.00 72.50 70.04 3d7l s THR 28 CO 0.08 0.14 -0.06 0.00 -0.54 0.00 0.00 174.62 174.23 3d7l s ALA 29 N -1.56 0.46 0.24 3.99 0.00 -0.06 -1.08 121.76 123.75 3d7l s ALA 29 Ca 0.38 -0.61 -0.21 0.00 0.00 0.00 0.00 51.96 51.52 3d7l s ALA 29 Cb -0.13 0.03 0.06 0.00 0.00 0.00 0.00 23.12 23.08 3d7l s ALA 29 CO 0.21 -0.01 0.91 0.20 0.00 0.00 0.00 175.76 177.06 3d7l s GLY 30 N -1.23 0.03 0.06 0.00 0.00 -0.70 -0.11 107.32 105.38 3d7l s GLY 30 Ca -0.08 -0.28 -0.22 0.00 0.00 0.00 0.00 44.72 44.14 3d7l s GLY 30 CO 0.00 0.61 1.56 -0.09 0.00 0.00 0.00 173.10 175.18 3d7l h ARG 31 N 2.00 0.16 0.00 2.90 9.65 -1.89 -0.40 114.38 126.80 3d7l h ARG 31 Ca -0.26 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.58 3d7l h ARG 31 Cb 1.23 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 29.79 3d7l h ARG 31 CO 0.32 0.32 -0.43 0.72 2.80 0.00 0.00 179.97 183.69 3d7l n HIS 32 N -4.89 0.00 -4.19 2.20 8.25 -1.26 -4.37 115.22 110.96 3d7l n HIS 32 Ca -0.06 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.29 3d7l n HIS 32 Cb 0.14 -0.02 -0.10 0.00 1.12 0.00 0.00 29.99 31.13 3d7l n HIS 32 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 3d7l s SER 33 N -1.64 0.74 0.00 0.41 1.04 -1.26 -5.03 113.70 107.96 3d7l s SER 33 Ca 0.01 -1.19 0.00 0.00 0.48 0.00 0.00 55.95 55.25 3d7l s SER 33 Cb 0.03 0.21 0.00 0.00 0.10 0.00 0.00 66.02 66.36 3d7l s SER 33 CO 0.16 -0.65 0.00 0.61 0.98 0.00 0.00 173.24 174.34 3d7l n GLY 34 N -0.16 2.12 0.35 7.32 0.00 -1.26 -1.72 105.19 111.84 3d7l n GLY 34 Ca -0.06 -2.17 0.06 0.00 0.00 0.00 0.00 46.02 43.85 3d7l n GLY 34 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3d7l h ASP 35 N 0.00 0.70 -4.46 1.61 3.32 -1.48 -3.42 116.42 112.70 3d7l h ASP 35 Ca 0.00 0.00 -0.38 0.00 0.02 0.00 0.00 57.03 56.67 3d7l h ASP 35 Cb 0.00 -0.15 -0.23 0.00 0.22 0.00 0.00 39.33 39.18 3d7l h ASP 35 CO 0.00 0.45 -0.77 -0.69 -1.72 0.00 0.00 179.24 176.51 3d7l s VAL 36 N -5.71 0.92 -0.01 -1.35 1.01 -0.52 -5.00 120.40 109.74 3d7l s VAL 36 Ca -0.10 -1.07 0.00 0.00 0.00 0.00 0.00 61.98 60.81 3d7l s VAL 36 Cb 0.19 -0.88 -0.04 0.00 0.00 0.00 0.00 36.38 35.65 3d7l s VAL 36 CO 0.78 -0.17 0.04 0.42 0.00 0.00 0.00 175.10 176.17 3d7l s THR 37 N -1.08 4.46 -0.11 3.92 -4.23 -1.26 -2.51 115.64 114.82 3d7l s THR 37 Ca -0.03 -0.47 -0.10 0.00 -1.18 0.00 0.00 61.69 59.92 3d7l s THR 37 Cb -0.09 -3.00 0.03 0.00 1.34 0.00 0.00 72.50 70.78 3d7l s THR 37 CO 0.01 0.39 0.29 0.54 -0.54 0.00 0.00 174.62 175.31 3d7l s VAL 38 N -1.12 -0.00 -0.44 2.29 0.11 -0.16 -4.90 120.40 116.18 3d7l s VAL 38 Ca 0.20 0.02 -0.11 0.00 -2.93 0.00 0.00 61.98 59.16 3d7l s VAL 38 Cb -0.12 -0.41 0.09 0.00 -1.53 0.00 0.00 36.38 34.41 3d7l s VAL 38 CO 0.11 0.01 0.31 -0.62 -3.33 0.00 0.00 175.10 171.58 3d7l s ASP 39 N 0.29 5.77 0.39 3.54 -1.08 -1.26 -3.27 116.67 121.04 3d7l s ASP 39 Ca -0.01 -1.55 0.28 0.00 -0.52 0.00 0.00 52.55 50.74 3d7l s ASP 39 Cb -0.03 -2.04 1.25 0.00 -1.46 0.00 0.00 42.92 40.64 3d7l s ASP 39 CO -0.01 -0.60 1.84 0.16 0.52 0.00 0.00 175.17 177.08 3d7l h ILE 40 N 6.02 0.00 -0.00 4.11 3.07 -1.94 -0.76 117.51 128.01 3d7l h ILE 40 Ca -0.24 -0.26 0.00 0.00 1.55 0.00 0.00 64.86 65.91 3d7l h ILE 40 Cb 1.09 1.05 0.00 0.00 -0.27 0.00 0.00 36.82 38.69 3d7l h ILE 40 CO 0.81 0.00 -0.01 0.35 -1.05 0.00 0.00 178.15 178.25 3d7l n THR 41 N -2.56 0.00 -4.03 0.16 -2.24 -1.26 -4.28 114.28 100.07 3d7l n THR 41 Ca 0.01 -0.01 -0.32 0.00 -2.27 0.00 0.00 64.05 61.46 3d7l n THR 41 Cb 0.21 -0.46 -0.15 0.00 -2.10 0.00 0.00 70.33 67.84 3d7l n THR 41 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3d7l s ASN 42 N -2.53 4.58 0.47 3.42 3.84 -0.29 -5.00 114.94 119.43 3d7l s ASN 42 Ca 0.30 -1.53 0.17 0.00 0.21 0.00 0.00 52.86 52.01 3d7l s ASN 42 Cb 0.20 -1.59 1.13 0.00 -0.55 0.00 0.00 41.25 40.44 3d7l s ASN 42 CO 0.46 -0.24 2.03 0.16 -2.79 0.00 0.00 177.10 176.71 3d7l h ILE 43 N 6.69 1.00 -0.20 -5.21 3.07 -1.83 -1.24 117.51 119.80 3d7l h ILE 43 Ca -0.17 -0.55 -0.06 0.00 1.55 0.00 0.00 64.86 65.64 3d7l h ILE 43 Cb 1.04 1.30 -0.01 0.00 -0.27 0.00 0.00 36.82 38.88 3d7l h ILE 43 CO 0.49 0.15 -0.13 0.44 -1.05 0.00 0.00 178.15 178.05 3d7l h ASP 44 N 0.00 0.31 -0.12 2.16 3.32 -1.94 -1.37 116.42 118.77 3d7l h ASP 44 Ca -0.00 -0.07 -0.21 0.00 0.02 0.00 0.00 57.03 56.77 3d7l h ASP 44 Cb 0.29 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.76 3d7l h ASP 44 CO 0.02 0.47 -0.70 -1.28 -1.72 0.00 0.00 179.24 176.03 3d7l h SER 45 N 0.30 0.87 -0.44 6.45 0.87 -1.51 -1.70 113.55 118.40 3d7l h SER 45 Ca 0.06 -0.54 -0.01 0.00 -1.23 0.00 0.00 61.79 60.07 3d7l h SER 45 Cb 0.41 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 62.10 3d7l h SER 45 CO 0.02 1.33 0.23 0.40 -0.53 0.00 0.00 176.83 178.28 3d7l h ILE 46 N 0.53 1.16 -0.51 2.23 2.04 -1.18 -3.08 117.51 118.71 3d7l h ILE 46 Ca -0.03 -0.43 -0.01 0.00 1.00 0.00 0.00 64.86 65.39 3d7l h ILE 46 Cb 1.31 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 38.02 3d7l h ILE 46 CO 0.14 0.17 0.27 0.11 0.00 0.00 0.00 178.15 178.84 3d7l h LYS 47 N 0.57 0.73 -1.87 2.37 1.57 -1.21 -2.28 116.57 116.44 3d7l h LYS 47 Ca 0.15 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3d7l h LYS 47 Cb 0.07 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.24 3d7l h LYS 47 CO -0.02 0.58 0.00 0.36 -0.57 0.00 0.00 179.45 179.80 3d7l n LYS 48 N -4.62 0.18 0.00 3.15 2.85 -0.64 -1.28 118.16 117.79 3d7l n LYS 48 Ca 0.02 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.28 3d7l n LYS 48 Cb 0.10 -1.41 0.00 0.00 -0.65 0.00 0.00 35.03 33.07 3d7l n LYS 48 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 3d7l n TYR 50 N 1.19 0.00 -0.22 5.58 4.01 -0.86 -1.34 117.16 125.52 3d7l n TYR 50 Ca 0.00 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.68 3d7l n TYR 50 Cb 0.09 0.00 0.04 0.00 -0.31 0.00 0.00 39.34 39.16 3d7l n TYR 50 CO 0.00 0.00 0.00 1.49 -0.46 0.00 0.00 176.86 177.89 3d7l h GLU 51 N 0.00 0.85 -0.14 -0.72 4.81 -1.47 -2.24 114.58 115.67 3d7l h GLU 51 Ca 0.00 -0.09 -0.10 0.00 -0.13 0.00 0.00 59.36 59.04 3d7l h GLU 51 Cb 0.00 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.21 3d7l h GLU 51 CO 0.00 0.63 -0.31 1.96 -0.73 0.00 0.00 179.01 180.56 3d7l h GLN 52 N 0.84 0.45 -0.53 1.92 4.20 -1.48 -3.31 115.11 117.20 3d7l h GLN 52 Ca 0.22 -0.30 -0.09 0.00 0.06 0.00 0.00 58.65 58.53 3d7l h GLN 52 Cb 0.02 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.82 3d7l h GLN 52 CO -0.04 0.91 -0.04 0.28 -0.67 0.00 0.00 178.83 179.28 3d7l h VAL 53 N 0.06 1.26 -0.10 -0.54 2.07 -1.81 -3.49 116.25 113.70 3d7l h VAL 53 Ca 0.00 -1.14 0.00 0.00 0.82 0.00 0.00 66.70 66.38 3d7l h VAL 53 Cb 0.91 0.89 0.00 0.00 -1.52 0.00 0.00 31.29 31.57 3d7l h VAL 53 CO 0.07 0.41 0.00 0.61 0.02 0.00 0.00 177.57 178.67 3d7l n GLY 54 N -0.46 0.08 3.74 2.17 0.00 -0.85 -4.88 105.19 105.00 3d7l n GLY 54 Ca 0.02 -0.94 -0.40 0.00 0.00 0.00 0.00 46.02 44.70 3d7l n GLY 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3d7l s LYS 55 N 0.00 4.56 0.25 1.61 1.02 -1.26 -4.87 119.74 121.05 3d7l s LYS 55 Ca 0.00 1.20 0.04 0.00 0.02 0.00 0.00 55.97 57.23 3d7l s LYS 55 Cb 0.00 -3.37 -0.05 0.00 -0.52 0.00 0.00 37.83 33.89 3d7l s LYS 55 CO 0.00 0.26 -0.00 0.14 -0.92 0.00 0.00 175.35 174.83 3d7l s VAL 56 N -0.06 1.14 -0.08 3.17 -7.23 0.15 -4.94 120.40 112.56 3d7l s VAL 56 Ca 0.41 -2.04 0.15 0.00 -1.81 0.00 0.00 61.98 58.68 3d7l s VAL 56 Cb -0.21 -2.41 -0.17 0.00 0.56 0.00 0.00 36.38 34.15 3d7l s VAL 56 CO 0.25 -0.28 0.82 0.44 -0.31 0.00 0.00 175.10 176.02 3d7l h ASP 57 N 2.40 0.00 -3.85 4.85 5.19 -1.01 0.43 116.42 124.43 3d7l h ASP 57 Ca -0.39 0.00 -0.16 0.00 -0.62 0.00 0.00 57.03 55.86 3d7l h ASP 57 Cb 1.23 0.00 -0.25 0.00 0.18 0.00 0.00 39.33 40.48 3d7l h ASP 57 CO 0.65 0.76 -0.43 0.00 -3.12 0.00 0.00 179.24 177.10 3d7l s ALA 58 N -2.79 -0.61 -0.20 3.45 0.00 -0.96 -1.94 121.76 118.72 3d7l s ALA 58 Ca -0.03 0.68 -0.02 0.00 0.00 0.00 0.00 51.96 52.59 3d7l s ALA 58 Cb 0.08 -0.39 -0.00 0.00 0.00 0.00 0.00 23.12 22.81 3d7l s ALA 58 CO 0.81 -0.12 -0.09 0.42 0.00 0.00 0.00 175.76 176.79 3d7l s ILE 59 N 0.09 3.09 -0.11 0.00 1.01 -0.37 -0.52 121.20 124.39 3d7l s ILE 59 Ca -0.00 -0.60 0.02 0.00 0.00 0.00 0.00 60.65 60.07 3d7l s ILE 59 Cb -0.02 -2.37 0.01 0.00 0.01 0.00 0.00 42.46 40.09 3d7l s ILE 59 CO 0.00 0.46 -0.16 -0.69 0.00 0.00 0.00 174.94 174.56 3d7l s VAL 60 N 1.22 1.57 -0.37 2.92 1.01 -0.03 -1.54 120.40 125.17 3d7l s VAL 60 Ca 0.02 -0.69 -0.06 0.00 0.00 0.00 0.00 61.98 61.26 3d7l s VAL 60 Cb -0.14 -1.42 0.07 0.00 0.00 0.00 0.00 36.38 34.88 3d7l s VAL 60 CO -0.03 0.45 0.16 -0.55 0.00 0.00 0.00 175.10 175.13 3d7l s SER 61 N 0.93 5.33 -0.62 3.32 0.15 0.51 -1.01 113.70 122.31 3d7l s SER 61 Ca -0.07 -1.47 0.01 0.00 0.70 0.00 0.00 55.95 55.11 3d7l s SER 61 Cb -0.15 -1.87 0.40 0.00 -1.71 0.00 0.00 66.02 62.69 3d7l s SER 61 CO -0.01 -0.43 1.64 0.00 1.20 0.00 0.00 173.24 175.64 3d7l n ALA 62 N 4.76 5.85 -2.32 5.45 0.00 -0.21 -2.78 120.51 131.27 3d7l n ALA 62 Ca -0.10 -4.02 -0.19 0.00 0.00 0.00 0.00 53.44 49.13 3d7l n ALA 62 Cb 0.43 -1.29 -0.09 0.00 0.00 0.00 0.00 19.45 18.50 3d7l n ALA 62 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 3d7l s THR 63 N -5.11 0.19 0.00 0.00 -1.32 -1.23 -4.49 115.64 103.68 3d7l s THR 63 Ca 0.53 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 59.01 3d7l s THR 63 Cb 0.44 -2.49 0.00 0.00 -1.51 0.00 0.00 72.50 68.94 3d7l s THR 63 CO -0.21 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 172.81 3d7l n GLY 64 N -0.59 3.72 3.72 6.08 0.00 -1.26 -4.84 105.19 112.02 3d7l n GLY 64 Ca 0.03 -1.38 -0.34 0.00 0.00 0.00 0.00 46.02 44.34 3d7l n GLY 64 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3d7l s SER 65 N 0.00 5.40 -0.03 1.61 0.01 -1.26 -4.59 113.70 114.83 3d7l s SER 65 Ca 0.00 0.12 0.03 0.00 1.31 0.00 0.00 55.95 57.41 3d7l s SER 65 Cb 0.00 -1.51 0.00 0.00 0.21 0.00 0.00 66.02 64.72 3d7l s SER 65 CO 0.00 0.32 -0.13 0.00 0.41 0.00 0.00 173.24 173.84 3d7l s ALA 66 N -1.05 1.16 0.25 1.44 0.00 -1.26 -1.94 121.76 120.35 3d7l s ALA 66 Ca 0.18 -0.49 -0.31 0.00 0.00 0.00 0.00 51.96 51.34 3d7l s ALA 66 Cb -0.12 -0.40 -0.12 0.00 0.00 0.00 0.00 23.12 22.48 3d7l s ALA 66 CO 0.08 0.20 1.63 2.41 0.00 0.00 0.00 175.76 180.08 3d7l n THR 67 N 3.22 0.62 -3.78 0.00 -1.04 -1.26 -4.94 114.28 107.10 3d7l n THR 67 Ca -0.18 -0.16 -0.37 0.00 -2.04 0.00 0.00 64.05 61.30 3d7l n THR 67 Cb 0.54 -1.92 -0.13 0.00 -1.82 0.00 0.00 70.33 67.00 3d7l n THR 67 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 3d7l s PHE 68 N 0.43 3.19 -0.11 -1.42 0.40 -1.26 -4.14 117.98 115.06 3d7l s PHE 68 Ca 0.69 -1.26 -0.10 0.00 -0.60 0.00 0.00 56.93 55.66 3d7l s PHE 68 Cb -0.52 -2.24 0.03 0.00 0.51 0.00 0.00 43.02 40.81 3d7l s PHE 68 CO 0.43 -0.66 0.30 0.45 0.70 0.00 0.00 175.22 176.43 3d7l s SER 69 N 1.43 -0.32 0.50 1.36 0.15 -1.11 -5.06 113.70 110.65 3d7l s SER 69 Ca 0.00 0.61 -0.22 0.00 0.70 0.00 0.00 55.95 57.04 3d7l s SER 69 Cb -0.18 0.60 -0.08 0.00 -1.71 0.00 0.00 66.02 64.65 3d7l s SER 69 CO 0.02 -0.11 1.12 -2.65 1.20 0.00 0.00 173.24 172.81 3d7l n PRO 70 N 3.08 1.41 -0.35 5.44 -0.02 -1.26 -4.18 135.00 139.13 3d7l n PRO 70 Ca -0.14 0.52 -0.03 0.00 -2.02 0.00 0.00 63.50 61.82 3d7l n PRO 70 Cb 0.57 -2.25 0.10 0.00 -0.02 0.00 0.00 33.50 31.90 3d7l n PRO 70 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3d7l h LEU 71 N 1.34 1.10 -0.31 2.45 5.85 -1.95 -1.61 115.31 122.18 3d7l h LEU 71 Ca -0.48 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.19 3d7l h LEU 71 Cb 1.33 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 42.08 3d7l h LEU 71 CO 0.56 0.82 0.00 0.35 -0.34 0.00 0.00 178.44 179.83 3d7l n THR 72 N -4.40 0.73 0.25 1.05 -2.24 -1.26 -1.93 114.28 106.49 3d7l n THR 72 Ca 0.10 0.11 0.10 0.00 -2.27 0.00 0.00 64.05 62.10 3d7l n THR 72 Cb 0.04 -0.94 0.18 0.00 -2.10 0.00 0.00 70.33 67.51 3d7l n THR 72 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3d7l n GLU 73 N -1.97 2.30 -2.90 -0.78 -0.58 -0.66 -4.92 120.64 111.13 3d7l n GLU 73 Ca 0.04 -2.11 -0.43 0.00 -0.42 0.00 0.00 57.16 54.24 3d7l n GLU 73 Cb 0.26 -1.44 -0.04 0.00 -0.57 0.00 0.00 31.44 29.65 3d7l n GLU 73 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 3d7l s LEU 74 N -1.34 4.31 0.52 -4.62 2.96 -0.81 -4.90 118.68 114.80 3d7l s LEU 74 Ca 0.33 -0.55 -0.05 0.00 -0.22 0.00 0.00 54.13 53.63 3d7l s LEU 74 Cb 0.19 -2.69 -0.02 0.00 0.50 0.00 0.00 46.19 44.17 3d7l s LEU 74 CO 0.27 -1.20 0.83 0.42 -1.32 0.00 0.00 176.35 175.35 3d7l s THR 75 N 3.72 4.40 0.37 3.68 -4.23 -1.26 -4.92 115.64 117.39 3d7l s THR 75 Ca 0.26 0.11 0.10 0.00 -1.18 0.00 0.00 61.69 60.99 3d7l s THR 75 Cb -0.14 -3.70 0.33 0.00 1.34 0.00 0.00 72.50 70.33 3d7l s THR 75 CO 0.16 -0.69 1.89 -0.65 -0.54 0.00 0.00 174.62 174.79 3d7l h PRO 76 N 0.07 0.62 -0.59 3.99 0.11 -1.98 -0.89 132.00 133.33 3d7l h PRO 76 Ca -0.46 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 65.52 3d7l h PRO 76 Cb 1.23 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 3d7l h PRO 76 CO 0.61 0.41 0.03 0.93 -0.21 0.00 0.00 178.00 179.77 3d7l h GLU 77 N 0.64 1.02 -0.40 1.05 3.07 -1.99 0.13 114.58 118.10 3d7l h GLU 77 Ca 0.42 -0.31 -0.10 0.00 -0.50 0.00 0.00 59.36 58.87 3d7l h GLU 77 Cb 0.69 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.49 3d7l h GLU 77 CO -0.17 1.00 -0.13 0.87 -1.40 0.00 0.00 179.01 179.17 3d7l h LYS 78 N 0.92 0.80 -0.27 2.33 1.57 -1.87 -3.02 116.57 117.04 3d7l h LYS 78 Ca 0.17 -0.32 -0.05 0.00 -1.87 0.00 0.00 60.65 58.58 3d7l h LYS 78 Cb 0.51 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.77 3d7l h LYS 78 CO 0.02 0.95 -0.04 -0.97 -0.57 0.00 0.00 179.45 178.84 3d7l h ASN 79 N 0.62 0.39 -0.26 0.86 -0.00 -0.95 -2.63 115.58 113.62 3d7l h ASN 79 Ca 0.10 -0.07 0.06 0.00 -0.00 0.00 0.00 56.30 56.38 3d7l h ASN 79 Cb 0.67 -0.10 -0.01 0.00 -0.00 0.00 0.00 38.32 38.88 3d7l h ASN 79 CO 0.05 0.49 0.18 0.00 -0.00 0.00 0.00 177.43 178.15 3d7l h ALA 80 N 1.56 2.13 -0.28 1.57 0.00 -0.59 -2.17 119.26 121.48 3d7l h ALA 80 Ca 0.09 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.02 3d7l h ALA 80 Cb 0.33 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 3d7l h ALA 80 CO 0.01 -0.20 0.07 0.28 0.00 0.00 0.00 179.25 179.42 3d7l h VAL 81 N 0.08 0.88 -0.38 0.00 2.07 -1.50 -0.96 116.25 116.45 3d7l h VAL 81 Ca 0.12 -0.06 -0.02 0.00 0.82 0.00 0.00 66.70 67.56 3d7l h VAL 81 Cb 0.36 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 3d7l h VAL 81 CO -0.01 0.03 0.16 0.74 0.02 0.00 0.00 177.57 178.52 3d7l h THR 82 N 0.18 1.18 -1.00 2.57 2.02 -1.54 -2.73 112.91 113.59 3d7l h THR 82 Ca 0.13 -0.54 0.05 0.00 0.77 0.00 0.00 66.41 66.82 3d7l h THR 82 Cb 0.13 0.84 -0.06 0.00 -1.74 0.00 0.00 68.15 67.31 3d7l h THR 82 CO -0.16 0.20 0.65 0.40 0.37 0.00 0.00 175.52 176.98 3d7l h ILE 83 N 0.46 1.12 0.00 3.11 2.04 -1.21 -2.06 117.51 120.97 3d7l h ILE 83 Ca 0.13 -0.41 0.00 0.00 1.00 0.00 0.00 64.86 65.57 3d7l h ILE 83 Cb 0.16 -0.19 0.00 0.00 -0.74 0.00 0.00 36.82 36.05 3d7l h ILE 83 CO -0.01 0.22 -0.04 0.77 0.00 0.00 0.00 178.15 179.08 3d7l h SER 84 N 1.21 0.00 0.00 1.72 4.64 -1.03 0.35 113.55 120.44 3d7l h SER 84 Ca 0.42 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.74 3d7l h SER 84 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 3d7l h SER 84 CO -0.15 0.00 0.00 -0.24 -0.87 0.00 0.00 176.83 175.57 3d7l n SER 85 N -2.97 0.00 -0.31 4.97 2.88 -0.95 -2.48 113.62 114.77 3d7l n SER 85 Ca 0.04 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 57.66 3d7l n SER 85 Cb 0.52 0.00 0.29 0.00 -0.75 0.00 0.00 64.21 64.27 3d7l n SER 85 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 3d7l h LYS 86 N 0.00 0.87 0.00 -1.46 1.63 -1.02 -0.18 116.57 116.40 3d7l h LYS 86 Ca 0.00 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.75 3d7l h LYS 86 Cb 0.00 -0.20 0.00 0.00 -0.60 0.00 0.00 32.23 31.43 3d7l h LYS 86 CO 0.00 0.57 -0.07 1.25 -3.45 0.00 0.00 179.45 177.75 3d7l h LEU 87 N 0.89 0.00 -0.66 5.20 6.46 -1.56 -3.36 115.31 122.28 3d7l h LEU 87 Ca 0.45 0.00 -0.11 0.00 -0.12 0.00 0.00 57.88 58.09 3d7l h LEU 87 Cb 0.48 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.40 3d7l h LEU 87 CO -0.21 0.11 -0.16 1.23 -0.62 0.00 0.00 178.44 178.80 3d7l h GLY 88 N -0.15 0.95 0.80 3.75 0.00 -0.39 -2.18 103.07 105.85 3d7l h GLY 88 Ca 0.00 -0.78 -0.02 0.00 0.00 0.00 0.00 47.33 46.53 3d7l h GLY 88 CO 0.00 0.71 0.01 -1.33 0.00 0.00 0.00 176.54 175.93 3d7l h GLY 89 N 0.95 0.28 1.02 4.60 0.00 -0.72 0.13 103.07 109.34 3d7l h GLY 89 Ca 0.12 -0.20 -0.05 0.00 0.00 0.00 0.00 47.33 47.20 3d7l h GLY 89 CO 0.05 0.18 0.23 1.46 0.00 0.00 0.00 176.54 178.46 3d7l h GLN 90 N 0.02 1.02 -0.48 4.80 4.20 -1.41 -1.89 115.11 121.37 3d7l h GLN 90 Ca 0.04 -0.21 -0.10 0.00 0.06 0.00 0.00 58.65 58.45 3d7l h GLN 90 Cb 0.34 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.95 3d7l h GLN 90 CO 0.01 0.88 -0.08 0.82 -0.67 0.00 0.00 178.83 179.78 3d7l h ILE 91 N 0.96 1.27 0.00 2.54 2.04 -1.28 -2.88 117.51 120.16 3d7l h ILE 91 Ca 0.22 -1.20 -0.03 0.00 1.00 0.00 0.00 64.86 64.85 3d7l h ILE 91 Cb 0.27 1.06 -0.00 0.00 -0.74 0.00 0.00 36.82 37.40 3d7l h ILE 91 CO -0.01 0.42 -0.12 0.78 0.00 0.00 0.00 178.15 179.22 3d7l h ASN 92 N 0.76 0.00 -0.98 1.72 2.35 -0.60 -0.95 115.58 117.88 3d7l h ASN 92 Ca 0.13 0.00 0.05 0.00 -0.55 0.00 0.00 56.30 55.92 3d7l h ASN 92 Cb 0.63 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.94 3d7l h ASN 92 CO 0.04 0.12 0.64 -0.07 -1.65 0.00 0.00 177.43 176.51 3d7l h LEU 93 N 0.00 1.04 -0.01 1.61 3.38 -1.12 -1.55 115.31 118.67 3d7l h LEU 93 Ca -0.00 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 3d7l h LEU 93 Cb 0.28 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.80 3d7l h LEU 93 CO 0.02 0.70 -0.05 0.58 0.09 0.00 0.00 178.44 179.77 3d7l h VAL 94 N 1.20 1.54 0.00 1.22 2.07 -1.20 -2.31 116.25 118.77 3d7l h VAL 94 Ca 0.40 -1.65 -0.03 0.00 0.82 0.00 0.00 66.70 66.25 3d7l h VAL 94 Cb 0.07 2.62 -0.00 0.00 -1.52 0.00 0.00 31.29 32.46 3d7l h VAL 94 CO -0.14 0.44 -0.13 -0.07 0.02 0.00 0.00 177.57 177.69 3d7l h LEU 95 N -0.61 0.00 -0.03 2.57 3.38 -1.20 -2.06 115.31 117.36 3d7l h LEU 95 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3d7l h LEU 95 Cb 0.74 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.49 3d7l h LEU 95 CO 0.01 0.13 -0.93 0.18 0.09 0.00 0.00 178.44 177.92 3d7l n LEU 96 N -3.88 0.97 -0.00 1.67 4.77 -0.59 -4.57 117.00 115.37 3d7l n LEU 96 Ca -0.02 -0.51 0.09 0.00 -0.03 0.00 0.00 56.01 55.54 3d7l n LEU 96 Cb 0.22 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.21 3d7l n LEU 96 CO 0.32 0.24 -0.09 0.61 -1.33 0.00 0.00 177.39 177.13 3d7l n GLY 97 N 1.47 -0.72 0.31 -0.72 0.00 -0.79 -4.62 105.19 100.11 3d7l n GLY 97 Ca 0.04 -0.51 0.03 0.00 0.00 0.00 0.00 46.02 45.58 3d7l n GLY 97 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3d7l h ILE 98 N 0.00 0.93 0.00 -0.61 2.04 -1.77 0.14 117.51 118.24 3d7l h ILE 98 Ca 0.00 -0.28 0.00 0.00 1.00 0.00 0.00 64.86 65.58 3d7l h ILE 98 Cb 0.46 0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.57 3d7l h ILE 98 CO 0.00 0.15 0.00 0.47 0.00 0.00 0.00 178.15 178.77 3d7l n ASP 99 N -4.72 0.00 -0.20 1.72 8.00 -1.26 -2.16 116.55 117.93 3d7l n ASP 99 Ca 0.13 -0.23 0.11 0.00 0.71 0.00 0.00 54.79 55.52 3d7l n ASP 99 Cb 0.26 -0.19 0.02 0.00 -0.02 0.00 0.00 41.12 41.19 3d7l n ASP 99 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3d7l n SER 100 N -1.19 1.32 -4.76 -2.24 7.64 0.47 -4.93 113.62 109.92 3d7l n SER 100 Ca 0.12 -1.09 -0.38 0.00 1.01 0.00 0.00 58.87 58.53 3d7l n SER 100 Cb 0.13 0.64 -0.06 0.00 -1.01 0.00 0.00 64.21 63.91 3d7l n SER 100 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3d7l s LEU 101 N -2.76 4.35 0.82 -3.43 1.43 -0.92 -0.68 118.68 117.50 3d7l s LEU 101 Ca 0.14 0.84 -0.13 0.00 -1.03 0.00 0.00 54.13 53.95 3d7l s LEU 101 Cb 0.17 -2.62 0.09 0.00 0.03 0.00 0.00 46.19 43.87 3d7l s LEU 101 CO 0.71 0.14 1.20 0.20 0.23 0.00 0.00 176.35 178.82 3d7l s ASN 102 N -0.05 3.49 0.25 2.29 0.01 0.14 -4.90 114.94 116.17 3d7l s ASN 102 Ca 0.24 2.33 -0.30 0.00 -0.71 0.00 0.00 52.86 54.42 3d7l s ASN 102 Cb -0.16 -2.58 -0.14 0.00 0.41 0.00 0.00 41.25 38.78 3d7l s ASN 102 CO 0.11 -2.74 1.10 0.47 -1.51 0.00 0.00 177.10 174.53 3d7l n ASP 103 N -3.46 1.46 -0.62 -1.22 10.43 -1.26 -1.11 116.55 120.77 3d7l n ASP 103 Ca 0.13 1.16 -0.08 0.00 2.57 0.00 0.00 54.79 58.57 3d7l n ASP 103 Cb 0.51 -1.28 -0.03 0.00 1.84 0.00 0.00 41.12 42.15 3d7l n ASP 103 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 3d7l n LYS 104 N 1.19 -1.14 -0.68 -1.24 5.02 0.76 -4.97 118.16 117.10 3d7l n LYS 104 Ca 0.12 0.71 -0.20 0.00 -2.02 0.00 0.00 58.31 56.92 3d7l n LYS 104 Cb 0.30 -4.77 0.17 0.00 -0.02 0.00 0.00 35.03 30.70 3d7l n LYS 104 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3d7l n GLY 105 N -0.85 -2.71 3.18 0.72 0.00 -0.27 -4.75 105.19 100.52 3d7l n GLY 105 Ca -0.08 -1.47 -0.11 0.00 0.00 0.00 0.00 46.02 44.36 3d7l n GLY 105 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3d7l s SER 106 N -3.47 0.01 -0.00 1.61 1.04 -0.82 -0.58 113.70 111.50 3d7l s SER 106 Ca 0.48 -0.30 0.04 0.00 0.48 0.00 0.00 55.95 56.65 3d7l s SER 106 Cb -0.05 0.28 -0.03 0.00 0.10 0.00 0.00 66.02 66.32 3d7l s SER 106 CO 0.37 -0.53 -0.10 -0.36 0.98 0.00 0.00 173.24 173.60 3d7l s PHE 107 N -2.31 2.81 -0.08 5.02 0.08 0.62 -1.24 117.98 122.89 3d7l s PHE 107 Ca -0.07 -0.09 -0.01 0.00 0.12 0.00 0.00 56.93 56.88 3d7l s PHE 107 Cb -0.02 -1.59 0.03 0.00 -0.57 0.00 0.00 43.02 40.86 3d7l s PHE 107 CO -0.02 0.32 -0.01 0.99 -0.10 0.00 0.00 175.22 176.40 3d7l s THR 108 N -0.94 0.46 0.29 0.64 2.01 -0.59 -1.75 115.64 115.77 3d7l s THR 108 Ca 0.16 0.06 0.09 0.00 0.31 0.00 0.00 61.69 62.31 3d7l s THR 108 Cb -0.11 -0.60 -0.04 0.00 0.01 0.00 0.00 72.50 71.76 3d7l s THR 108 CO 0.06 0.27 0.08 -0.76 -0.69 0.00 0.00 174.62 173.58 3d7l s LEU 109 N 1.89 3.31 -0.17 4.42 1.43 -0.60 -0.37 118.68 128.59 3d7l s LEU 109 Ca 0.04 -0.64 -0.07 0.00 -1.03 0.00 0.00 54.13 52.43 3d7l s LEU 109 Cb -0.12 -1.81 -0.04 0.00 0.03 0.00 0.00 46.19 44.24 3d7l s LEU 109 CO -0.05 -0.13 0.06 -0.89 0.23 0.00 0.00 176.35 175.57 3d7l s THR 110 N -2.34 4.80 0.00 5.49 2.01 -1.12 0.04 115.64 124.53 3d7l s THR 110 Ca 0.34 -0.03 0.00 0.00 0.31 0.00 0.00 61.69 62.31 3d7l s THR 110 Cb -0.05 -3.15 0.00 0.00 0.01 0.00 0.00 72.50 69.31 3d7l s THR 110 CO 0.22 0.48 0.00 0.35 -0.69 0.00 0.00 174.62 174.98 3d7l n THR 111 N 3.31 0.00 0.00 -0.82 -2.24 0.20 -4.91 114.28 109.83 3d7l n THR 111 Ca -0.17 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 3d7l n THR 111 Cb 0.52 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.75 3d7l n THR 111 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3d7l n GLY 112 N 5.00 3.90 3.64 3.38 0.00 -1.26 -4.63 105.19 115.22 3d7l n GLY 112 Ca 0.00 -0.82 -0.42 0.00 0.00 0.00 0.00 46.02 44.77 3d7l n GLY 112 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3d7l s ILE 113 N -2.00 3.01 0.00 -0.61 2.07 -0.62 -4.86 121.20 118.19 3d7l s ILE 113 Ca 0.00 0.02 0.00 0.00 -1.41 0.00 0.00 60.65 59.26 3d7l s ILE 113 Cb 0.00 -3.01 0.00 0.00 0.13 0.00 0.00 42.46 39.58 3d7l s ILE 113 CO 0.00 -0.00 0.00 1.21 -1.91 0.00 0.00 174.94 174.24 3d7l n GLU 116 N 7.93 0.00 -3.33 3.50 0.00 -1.26 -4.56 120.64 122.92 3d7l n GLU 116 Ca 0.23 0.00 -0.26 0.00 0.00 0.00 0.00 57.16 57.13 3d7l n GLU 116 Cb 0.42 -2.59 -0.08 0.00 0.00 0.00 0.00 31.44 29.19 3d7l n GLU 116 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 3d7l n ASP 117 N 0.06 0.64 -4.78 4.31 -0.08 -1.26 -5.13 116.55 110.31 3d7l n ASP 117 Ca 0.00 -2.73 -0.35 0.00 -1.51 0.00 0.00 54.79 50.20 3d7l n ASP 117 Cb 0.00 -0.63 -0.02 0.00 2.34 0.00 0.00 41.12 42.82 3d7l n ASP 117 CO 0.00 0.00 0.00 -2.16 0.12 0.00 0.00 177.20 175.16 3d7l s PRO 118 N -1.00 3.64 0.14 -0.67 0.04 -1.26 -5.06 135.00 130.83 3d7l s PRO 118 Ca 0.34 1.55 0.08 0.00 0.04 0.00 0.00 61.00 63.01 3d7l s PRO 118 Cb 0.11 -2.15 -0.04 0.00 0.04 0.00 0.00 34.50 32.46 3d7l s PRO 118 CO -0.13 -0.60 -0.18 0.96 0.04 0.00 0.00 177.00 177.10 3d7l s ILE 119 N -1.79 1.67 0.18 0.56 -4.36 -1.26 -5.08 121.20 111.13 3d7l s ILE 119 Ca 0.68 -1.80 -0.33 0.00 -0.26 0.00 0.00 60.65 58.94 3d7l s ILE 119 Cb -0.22 -1.71 -0.15 0.00 1.25 0.00 0.00 42.46 41.63 3d7l s ILE 119 CO 0.26 -0.30 1.34 0.52 0.24 0.00 0.00 174.94 177.00 3d7l n VAL 120 N 0.49 0.67 -0.64 8.37 0.31 -1.26 -0.88 118.33 125.39 3d7l n VAL 120 Ca -0.15 -0.17 0.00 0.00 -0.01 0.00 0.00 64.34 64.01 3d7l n VAL 120 Cb 0.56 -1.18 0.00 0.00 -0.91 0.00 0.00 33.84 32.32 3d7l n VAL 120 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3d7l n GLN 121 N 2.19 0.00 0.00 5.55 6.02 -1.26 -4.93 117.38 124.95 3d7l n GLN 121 Ca 0.14 0.00 0.14 0.00 -0.01 0.00 0.00 57.00 57.28 3d7l n GLN 121 Cb 0.27 -2.07 0.59 0.00 1.02 0.00 0.00 30.24 30.05 3d7l n GLN 121 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3d7l n GLY 122 N -2.00 -0.49 0.28 1.08 0.00 -0.06 -2.74 105.19 101.26 3d7l n GLY 122 Ca 0.00 -0.36 -0.02 0.00 0.00 0.00 0.00 46.02 45.64 3d7l n GLY 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d7l h ALA 123 N 4.01 1.22 0.11 4.61 0.00 -1.84 0.19 119.26 127.56 3d7l h ALA 123 Ca 0.00 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 3d7l h ALA 123 Cb 0.39 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3d7l h ALA 123 CO 0.00 0.52 -0.06 1.03 0.00 0.00 0.00 179.25 180.74 3d7l h SER 124 N 0.63 -0.13 -0.69 0.00 0.87 -1.81 -3.10 113.55 109.31 3d7l h SER 124 Ca 0.13 -0.36 0.10 0.00 -1.23 0.00 0.00 61.79 60.43 3d7l h SER 124 Cb 0.41 0.03 -0.07 0.00 -0.44 0.00 0.00 62.40 62.33 3d7l h SER 124 CO 0.02 0.31 0.32 0.00 -0.53 0.00 0.00 176.83 176.95 3d7l h ALA 125 N 0.19 0.94 0.00 6.23 0.00 -1.66 -1.98 119.26 122.99 3d7l h ALA 125 Ca -0.02 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3d7l h ALA 125 Cb 0.48 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3d7l h ALA 125 CO 0.03 -0.10 0.00 0.00 0.00 0.00 0.00 179.25 179.18 3d7l n ALA 126 N -2.43 0.98 0.00 0.00 0.00 0.66 -1.26 120.51 118.46 3d7l n ALA 126 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.55 3d7l n ALA 126 Cb 0.29 -0.82 0.00 0.00 0.00 0.00 0.00 19.45 18.91 3d7l n ALA 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3d7l n ALA 128 N 0.60 0.00 -0.06 0.00 0.00 -0.74 -1.15 120.51 119.16 3d7l n ALA 128 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 3d7l n ALA 128 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 3d7l n ALA 128 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 3d7l h ASN 129 N 0.00 0.27 -1.01 0.00 2.35 -1.46 -1.39 115.58 114.35 3d7l h ASN 129 Ca 0.00 -0.01 0.02 0.00 -0.55 0.00 0.00 56.30 55.76 3d7l h ASN 129 Cb 0.00 -0.07 -0.05 0.00 0.05 0.00 0.00 38.32 38.25 3d7l h ASN 129 CO 0.00 0.20 0.66 1.23 -1.65 0.00 0.00 177.43 177.87 3d7l h GLY 130 N 0.32 1.44 0.81 2.83 0.00 -1.40 -1.32 103.07 105.75 3d7l h GLY 130 Ca 0.09 -0.52 -0.02 0.00 0.00 0.00 0.00 47.33 46.88 3d7l h GLY 130 CO -0.02 0.48 0.01 0.00 0.00 0.00 0.00 176.54 177.01 3d7l h ALA 131 N 1.39 0.23 -0.54 3.60 0.00 -1.73 -2.32 119.26 119.89 3d7l h ALA 131 Ca 0.38 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 55.00 3d7l h ALA 131 Cb -0.09 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3d7l h ALA 131 CO -0.10 -0.08 -0.09 0.28 0.00 0.00 0.00 179.25 179.26 3d7l h VAL 132 N 0.06 1.27 0.29 0.00 2.07 -1.18 0.19 116.25 118.94 3d7l h VAL 132 Ca 0.05 -1.23 0.00 0.00 0.82 0.00 0.00 66.70 66.34 3d7l h VAL 132 Cb 0.35 0.94 -0.03 0.00 -1.52 0.00 0.00 31.29 31.03 3d7l h VAL 132 CO 0.01 0.44 -0.34 0.74 0.02 0.00 0.00 177.57 178.43 3d7l h THR 133 N 0.89 0.29 -0.45 2.57 2.02 -1.27 -1.27 112.91 115.70 3d7l h THR 133 Ca 0.14 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 67.23 3d7l h THR 133 Cb 0.64 0.29 -0.01 0.00 -1.74 0.00 0.00 68.15 67.33 3d7l h THR 133 CO 0.04 0.00 -0.10 0.00 0.37 0.00 0.00 175.52 175.83 3d7l h ALA 134 N -0.16 0.61 -0.27 6.16 0.00 -1.28 -1.98 119.26 122.34 3d7l h ALA 134 Ca -0.01 -0.33 0.06 0.00 0.00 0.00 0.00 54.91 54.64 3d7l h ALA 134 Cb 0.63 -0.16 -0.07 0.00 0.00 0.00 0.00 17.79 18.20 3d7l h ALA 134 CO -0.10 0.50 -0.19 0.35 0.00 0.00 0.00 179.25 179.81 3d7l h PHE 135 N 0.69 -0.50 -0.68 0.00 3.57 -0.57 -2.19 116.94 117.27 3d7l h PHE 135 Ca 0.11 0.04 -0.08 0.00 3.53 0.00 0.00 57.97 61.57 3d7l h PHE 135 Cb 0.64 0.26 -0.03 0.00 2.79 0.00 0.00 35.95 39.62 3d7l h PHE 135 CO 0.05 -0.27 0.12 0.00 -2.23 0.00 0.00 178.31 175.98 3d7l h ALA 136 N 0.97 0.90 -0.49 2.41 0.00 -1.06 0.17 119.26 122.16 3d7l h ALA 136 Ca 0.15 -0.27 0.05 0.00 0.00 0.00 0.00 54.91 54.84 3d7l h ALA 136 Cb 0.40 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 3d7l h ALA 136 CO -0.38 0.67 0.23 -0.22 0.00 0.00 0.00 179.25 179.55 3d7l h LYS 137 N 1.05 0.44 -0.09 0.00 3.64 -1.23 -2.09 116.57 118.29 3d7l h LYS 137 Ca 0.21 -0.03 -0.19 0.00 -1.27 0.00 0.00 60.65 59.38 3d7l h LYS 137 Cb 0.44 -0.10 0.01 0.00 -0.41 0.00 0.00 32.23 32.17 3d7l h LYS 137 CO 0.01 0.29 -0.67 1.03 -2.27 0.00 0.00 179.45 177.84 3d7l h SER 138 N 0.45 0.74 0.24 4.20 0.87 -1.09 -3.24 113.55 115.72 3d7l h SER 138 Ca 0.22 -0.67 -0.04 0.00 -1.23 0.00 0.00 61.79 60.07 3d7l h SER 138 Cb 0.15 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 61.89 3d7l h SER 138 CO -0.17 1.30 -0.17 0.00 -0.53 0.00 0.00 176.83 177.26 3d7l h ALA 139 N 0.46 1.56 -0.94 6.23 0.00 -0.63 -2.83 119.26 123.10 3d7l h ALA 139 Ca -0.06 -0.16 0.21 0.00 0.00 0.00 0.00 54.91 54.91 3d7l h ALA 139 Cb 1.32 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 19.01 3d7l h ALA 139 CO 0.14 0.21 0.62 0.00 0.00 0.00 0.00 179.25 180.22 3d7l h ALA 140 N 1.83 2.16 -0.00 0.00 0.00 -1.40 -1.34 119.26 120.51 3d7l h ALA 140 Ca -0.00 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3d7l h ALA 140 Cb 0.33 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3d7l h ALA 140 CO 0.02 -0.48 -0.04 0.44 0.00 0.00 0.00 179.25 179.20 3d7l n ILE 141 N -4.55 0.00 -3.99 0.00 -5.35 -1.07 -4.93 119.36 99.47 3d7l n ILE 141 Ca 0.21 -0.00 -0.34 0.00 -0.27 0.00 0.00 62.75 62.35 3d7l n ILE 141 Cb 0.72 -0.43 -0.14 0.00 -1.74 0.00 0.00 39.64 38.04 3d7l n ILE 141 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 3d7l s GLU 142 N -2.84 2.41 0.11 6.28 2.02 -0.51 -5.19 118.70 120.98 3d7l s GLU 142 Ca 0.19 -1.26 0.02 0.00 0.02 0.00 0.00 54.97 53.95 3d7l s GLU 142 Cb 0.19 -3.01 -0.04 0.00 0.10 0.00 0.00 34.13 31.37 3d7l s GLU 142 CO 0.52 -0.56 -0.06 -1.25 0.02 0.00 0.00 175.26 173.92 3d7l s PRO 144 N 1.20 0.89 -1.44 0.39 0.04 -1.26 -5.11 135.00 129.70 3d7l s PRO 144 Ca -0.06 -1.37 -0.03 0.00 0.04 0.00 0.00 61.00 59.58 3d7l s PRO 144 Cb -0.19 -0.26 0.00 0.00 0.04 0.00 0.00 34.50 34.09 3d7l s PRO 144 CO -0.04 -0.02 0.41 0.54 0.04 0.00 0.00 177.00 177.94 3d7l n ARG 145 N -0.08 -3.68 -1.00 4.56 1.74 -1.26 -1.67 116.66 115.27 3d7l n ARG 145 Ca -0.11 0.83 -0.00 0.00 -0.77 0.00 0.00 57.85 57.80 3d7l n ARG 145 Cb 0.61 -5.45 -0.00 0.00 -1.02 0.00 0.00 32.46 26.59 3d7l n ARG 145 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3d7l n GLY 146 N -1.34 0.25 3.78 -0.13 0.00 -1.26 -0.17 105.19 106.32 3d7l n GLY 146 Ca -0.13 -0.01 -0.41 0.00 0.00 0.00 0.00 46.02 45.47 3d7l n GLY 146 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3d7l s ILE 147 N -1.49 2.28 0.26 -0.61 1.01 -0.67 -4.19 121.20 117.79 3d7l s ILE 147 Ca 0.00 0.28 0.10 0.00 0.00 0.00 0.00 60.65 61.03 3d7l s ILE 147 Cb 0.00 -3.18 -0.04 0.00 0.01 0.00 0.00 42.46 39.25 3d7l s ILE 147 CO 0.00 0.07 -0.05 -0.13 0.00 0.00 0.00 174.94 174.82 3d7l s ARG 148 N -2.01 2.14 -0.11 2.79 0.52 0.26 -4.79 118.95 117.75 3d7l s ARG 148 Ca 0.52 -1.48 -0.06 0.00 -0.52 0.00 0.00 55.73 54.19 3d7l s ARG 148 Cb -0.44 -2.08 0.05 0.00 0.52 0.00 0.00 34.95 33.00 3d7l s ARG 148 CO 0.59 0.36 0.27 -1.50 0.02 0.00 0.00 175.30 175.04 3d7l s ILE 149 N -2.31 -0.03 0.15 1.52 2.07 -1.26 -0.28 121.20 121.06 3d7l s ILE 149 Ca 0.31 0.13 -0.01 0.00 -1.41 0.00 0.00 60.65 59.66 3d7l s ILE 149 Cb -0.06 -0.40 -0.04 0.00 0.13 0.00 0.00 42.46 42.08 3d7l s ILE 149 CO 0.18 0.05 0.07 0.20 -1.91 0.00 0.00 174.94 173.54 3d7l s ASN 150 N 1.17 0.28 0.16 4.50 0.01 -0.72 0.11 114.94 120.45 3d7l s ASN 150 Ca -0.08 -1.26 0.10 0.00 -0.71 0.00 0.00 52.86 50.91 3d7l s ASN 150 Cb -0.09 0.32 -0.04 0.00 0.41 0.00 0.00 41.25 41.84 3d7l s ASN 150 CO -0.08 -0.76 -0.23 0.42 -1.51 0.00 0.00 177.10 174.95 3d7l s THR 151 N -4.07 2.10 -0.12 1.60 -4.23 -0.42 -1.56 115.64 108.94 3d7l s THR 151 Ca 0.28 -1.88 0.02 0.00 -1.18 0.00 0.00 61.69 58.94 3d7l s THR 151 Cb 0.07 -1.94 -0.01 0.00 1.34 0.00 0.00 72.50 71.97 3d7l s THR 151 CO 0.05 -0.12 -0.19 -0.69 -0.54 0.00 0.00 174.62 173.12 3d7l s VAL 152 N -1.57 2.48 -0.48 2.29 1.01 0.11 -0.70 120.40 123.54 3d7l s VAL 152 Ca 0.16 -0.87 -0.01 0.00 0.00 0.00 0.00 61.98 61.26 3d7l s VAL 152 Cb -0.08 -2.00 0.13 0.00 0.00 0.00 0.00 36.38 34.43 3d7l s VAL 152 CO 0.07 0.54 0.26 -0.55 0.00 0.00 0.00 175.10 175.43 3d7l s SER 153 N 0.38 5.11 0.32 3.32 0.15 0.38 -0.63 113.70 122.73 3d7l s SER 153 Ca -0.15 -2.39 -0.26 0.00 0.70 0.00 0.00 55.95 53.86 3d7l s SER 153 Cb -0.17 -1.80 -0.10 0.00 -1.71 0.00 0.00 66.02 62.24 3d7l s SER 153 CO 0.07 -0.44 0.95 -2.16 1.20 0.00 0.00 173.24 172.85 3d7l s PRO 154 N 0.62 4.57 1.13 5.44 0.04 -1.26 -0.96 135.00 144.58 3d7l s PRO 154 Ca 0.12 1.34 -0.16 0.00 0.04 0.00 0.00 61.00 62.34 3d7l s PRO 154 Cb -0.22 -2.80 0.25 0.00 0.04 0.00 0.00 34.50 31.78 3d7l s PRO 154 CO -0.04 0.27 1.08 1.21 0.04 0.00 0.00 177.00 179.56 3d7l s ASN 155 N -1.61 1.47 0.32 6.66 3.04 -0.16 -1.59 114.94 123.07 3d7l s ASN 155 Ca 0.50 0.94 -0.29 0.00 0.04 0.00 0.00 52.86 54.05 3d7l s ASN 155 Cb -0.19 -1.42 -0.12 0.00 -1.54 0.00 0.00 41.25 37.98 3d7l s ASN 155 CO 0.24 -3.82 1.49 0.55 -3.04 0.00 0.00 177.10 172.53 3d7l n VAL 156 N -4.60 1.46 -2.94 -5.21 3.14 -1.26 -4.76 118.33 104.17 3d7l n VAL 156 Ca 0.09 -0.36 -0.37 0.00 -2.96 0.00 0.00 64.34 60.73 3d7l n VAL 156 Cb 0.58 -1.85 -0.06 0.00 -1.06 0.00 0.00 33.84 31.45 3d7l n VAL 156 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 3d7l s LEU 157 N -0.97 4.39 0.38 6.55 1.43 -1.26 -0.93 118.68 128.27 3d7l s LEU 157 Ca 0.60 1.65 0.07 0.00 -1.03 0.00 0.00 54.13 55.42 3d7l s LEU 157 Cb -0.52 -3.72 0.80 0.00 0.03 0.00 0.00 46.19 42.78 3d7l s LEU 157 CO 0.55 0.02 1.98 -0.33 0.23 0.00 0.00 176.35 178.80 3d7l h GLU 158 N 3.47 0.65 0.00 1.70 5.08 -0.65 -1.89 114.58 122.95 3d7l h GLU 158 Ca -0.47 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 57.85 3d7l h GLU 158 Cb 1.19 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.30 3d7l h GLU 158 CO 0.65 0.43 0.00 0.93 -1.00 0.00 0.00 179.01 180.03 3d7l h GLU 159 N 0.67 0.00 -0.33 2.33 3.07 -1.93 -2.87 114.58 115.53 3d7l h GLU 159 Ca 0.28 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.14 3d7l h GLU 159 Cb 0.25 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.16 3d7l h GLU 159 CO -0.09 0.00 0.00 0.43 -1.40 0.00 0.00 179.01 177.95 3d7l n SER 160 N -2.99 2.95 -0.09 1.42 7.64 -0.73 -4.75 113.62 117.08 3d7l n SER 160 Ca 0.01 -1.88 -0.11 0.00 1.01 0.00 0.00 58.87 57.90 3d7l n SER 160 Cb 0.30 -0.21 0.03 0.00 -1.01 0.00 0.00 64.21 63.31 3d7l n SER 160 CO 0.00 0.00 0.00 -0.25 -3.01 0.00 0.00 175.04 171.78 3d7l h TRP 161 N 2.91 0.97 -0.88 1.43 2.91 -1.26 -0.01 115.95 122.02 3d7l h TRP 161 Ca 0.00 -0.27 0.10 0.00 1.13 0.00 0.00 58.89 59.85 3d7l h TRP 161 Cb 0.76 -0.21 -0.06 0.00 -0.51 0.00 0.00 29.16 29.14 3d7l h TRP 161 CO 0.21 1.05 0.57 -0.44 -1.03 0.00 0.00 178.44 178.81 3d7l h ASP 162 N 0.68 0.78 0.47 2.65 5.19 -1.85 -0.45 116.42 123.89 3d7l h ASP 162 Ca 0.06 0.02 -0.30 0.00 -0.62 0.00 0.00 57.03 56.20 3d7l h ASP 162 Cb 0.91 -0.14 -0.03 0.00 0.18 0.00 0.00 39.33 40.26 3d7l h ASP 162 CO 0.08 0.45 -1.60 0.50 -3.12 0.00 0.00 179.24 175.55 3d7l h LYS 163 N 0.86 0.14 0.00 3.56 3.64 -1.84 -3.41 116.57 119.53 3d7l h LYS 163 Ca 0.41 -0.25 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 3d7l h LYS 163 Cb 0.44 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 3d7l h LYS 163 CO -0.18 0.91 -1.24 1.28 -2.27 0.00 0.00 179.45 177.96 3d7l n LEU 164 N -3.31 0.75 -0.31 5.20 4.77 -0.05 -4.54 117.00 119.50 3d7l n LEU 164 Ca -0.17 -0.37 0.04 0.00 -0.03 0.00 0.00 56.01 55.47 3d7l n LEU 164 Cb 1.04 -0.00 0.11 0.00 -2.33 0.00 0.00 43.42 42.23 3d7l n LEU 164 CO 0.47 0.19 0.68 -0.08 -1.33 0.00 0.00 177.39 177.32 3d7l h GLU 165 N 0.00 -0.00 -0.87 3.23 4.22 -1.32 0.99 114.58 120.83 3d7l h GLU 165 Ca 0.00 0.00 0.24 0.00 0.08 0.00 0.00 59.36 59.68 3d7l h GLU 165 Cb 0.62 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.83 3d7l h GLU 165 CO 0.00 -0.00 0.62 -1.35 -2.18 0.00 0.00 179.01 176.09 3d7l h PRO 166 N -0.00 0.07 0.00 0.92 0.11 -1.86 0.12 132.00 131.35 3d7l h PRO 166 Ca 0.42 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.52 3d7l h PRO 166 Cb 0.64 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 31.74 3d7l h PRO 166 CO -0.91 0.04 -0.18 0.74 -0.21 0.00 0.00 178.00 177.49 3d7l h PHE 167 N 0.07 0.00 -0.68 0.65 0.04 -1.12 -3.39 116.94 112.51 3d7l h PHE 167 Ca 0.42 0.00 -0.35 0.00 2.80 0.00 0.00 57.97 60.84 3d7l h PHE 167 Cb 1.57 0.00 -0.41 0.00 2.20 0.00 0.00 35.95 39.31 3d7l h PHE 167 CO -0.00 0.00 -1.05 1.19 -0.60 0.00 0.00 178.31 177.85 3d7l n PHE 168 N -3.03 1.68 -1.86 -0.55 3.01 0.36 -4.78 117.46 112.29 3d7l n PHE 168 Ca 0.03 -2.35 -0.42 0.00 1.01 0.00 0.00 57.45 55.72 3d7l n PHE 168 Cb 0.54 -0.27 -0.03 0.00 -0.01 0.00 0.00 39.48 39.71 3d7l n PHE 168 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 3d7l s GLU 169 N -3.62 4.18 0.00 -1.08 2.02 -0.93 -1.81 118.70 117.47 3d7l s GLU 169 Ca 0.33 2.45 0.00 0.00 0.02 0.00 0.00 54.97 57.78 3d7l s GLU 169 Cb 0.37 -3.11 0.00 0.00 0.10 0.00 0.00 34.13 31.49 3d7l s GLU 169 CO -0.02 -0.64 0.00 0.41 0.02 0.00 0.00 175.26 175.03 3d7l n GLY 170 N 3.53 1.66 3.82 -1.39 0.00 -1.26 -5.04 105.19 106.51 3d7l n GLY 170 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 3d7l n GLY 170 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3d7l s PHE 171 N -3.27 3.11 -0.35 1.61 0.08 -0.75 -5.04 117.98 113.36 3d7l s PHE 171 Ca 0.00 1.42 -0.03 0.00 0.12 0.00 0.00 56.93 58.44 3d7l s PHE 171 Cb 0.00 -2.88 0.07 0.00 -0.57 0.00 0.00 43.02 39.64 3d7l s PHE 171 CO 0.00 -1.24 0.10 -1.17 -0.10 0.00 0.00 175.22 172.82 3d7l s LEU 172 N -5.55 4.53 0.93 -0.37 2.96 -1.26 -5.10 118.68 114.83 3d7l s LEU 172 Ca 0.58 -1.55 -0.11 0.00 -0.22 0.00 0.00 54.13 52.83 3d7l s LEU 172 Cb -0.14 -1.79 0.15 0.00 0.50 0.00 0.00 46.19 44.91 3d7l s LEU 172 CO 0.55 -0.39 1.09 -2.16 -1.32 0.00 0.00 176.35 174.12 3d7l s PRO 173 N 1.24 0.95 0.11 0.98 0.04 -1.26 -4.84 135.00 132.22 3d7l s PRO 173 Ca 0.01 0.91 0.10 0.00 0.04 0.00 0.00 61.00 62.06 3d7l s PRO 173 Cb -0.21 -1.77 -0.04 0.00 0.04 0.00 0.00 34.50 32.53 3d7l s PRO 173 CO -0.02 -2.48 -0.26 0.14 0.04 0.00 0.00 177.00 174.43 3d7l s VAL 174 N -2.84 2.31 0.23 -0.36 -7.23 -0.10 -4.72 120.40 107.69 3d7l s VAL 174 Ca 0.64 -1.67 -0.30 0.00 -1.81 0.00 0.00 61.98 58.85 3d7l s VAL 174 Cb -0.19 -2.01 -0.09 0.00 0.56 0.00 0.00 36.38 34.65 3d7l s VAL 174 CO 0.58 0.14 1.28 -2.84 -0.31 0.00 0.00 175.10 173.95 3d7l s PRO 175 N -1.93 4.41 0.37 4.82 0.02 -1.26 0.07 135.00 141.50 3d7l s PRO 175 Ca 0.14 2.05 0.12 0.00 0.02 0.00 0.00 61.00 63.33 3d7l s PRO 175 Cb -0.10 -3.17 0.90 0.00 0.02 0.00 0.00 34.50 32.15 3d7l s PRO 175 CO 0.06 -0.19 1.84 0.00 -0.33 0.00 0.00 177.00 178.37 3d7l h ALA 176 N 4.88 1.94 -0.29 -1.55 0.00 -1.96 0.23 119.26 122.51 3d7l h ALA 176 Ca -0.46 0.03 0.08 0.00 0.00 0.00 0.00 54.91 54.57 3d7l h ALA 176 Cb 1.22 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 3d7l h ALA 176 CO 0.74 -0.24 0.22 0.00 0.00 0.00 0.00 179.25 179.98 3d7l h ALA 177 N 1.61 2.20 0.17 0.00 0.00 -1.91 -0.46 119.26 120.88 3d7l h ALA 177 Ca 0.50 -0.01 -0.31 0.00 0.00 0.00 0.00 54.91 55.09 3d7l h ALA 177 Cb 0.96 0.02 0.03 0.00 0.00 0.00 0.00 17.79 18.80 3d7l h ALA 177 CO -0.24 -0.37 -1.33 -0.22 0.00 0.00 0.00 179.25 177.08 3d7l h LYS 178 N 0.00 0.54 -0.71 0.00 3.64 -1.32 -2.97 116.57 115.74 3d7l h LYS 178 Ca 0.14 -0.81 -0.06 0.00 -1.27 0.00 0.00 60.65 58.65 3d7l h LYS 178 Cb 0.59 0.28 -0.03 0.00 -0.41 0.00 0.00 32.23 32.66 3d7l h LYS 178 CO -0.00 1.37 0.22 0.28 -2.27 0.00 0.00 179.45 179.05 3d7l h VAL 179 N 0.20 1.26 -0.87 2.00 2.07 -1.24 -2.80 116.25 116.87 3d7l h VAL 179 Ca -0.21 -0.90 0.08 0.00 0.82 0.00 0.00 66.70 66.50 3d7l h VAL 179 Cb 2.02 0.48 -0.06 0.00 -1.52 0.00 0.00 31.29 32.20 3d7l h VAL 179 CO 0.25 0.35 0.56 0.00 0.02 0.00 0.00 177.57 178.75 3d7l h ALA 180 N 1.17 1.61 -0.89 1.67 0.00 -1.11 -1.21 119.26 120.51 3d7l h ALA 180 Ca 0.23 -0.01 0.11 0.00 0.00 0.00 0.00 54.91 55.23 3d7l h ALA 180 Cb 0.31 -0.22 -0.07 0.00 0.00 0.00 0.00 17.79 17.81 3d7l h ALA 180 CO -0.01 0.23 0.57 0.00 0.00 0.00 0.00 179.25 180.04 3d7l h ARG 181 N 0.90 0.82 -0.27 0.00 3.08 -1.33 -1.34 114.38 116.24 3d7l h ARG 181 Ca 0.39 -0.05 -0.06 0.00 0.07 0.00 0.00 59.98 60.33 3d7l h ARG 181 Cb 0.33 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.18 3d7l h ARG 181 CO -0.16 0.54 -0.09 0.00 -1.07 0.00 0.00 179.97 179.19 3d7l h ALA 182 N 1.57 1.34 -0.26 0.04 0.00 -1.26 -0.51 119.26 120.18 3d7l h ALA 182 Ca 0.42 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 3d7l h ALA 182 Cb 0.47 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3d7l h ALA 182 CO -0.18 0.45 -0.16 0.74 0.00 0.00 0.00 179.25 180.10 3d7l h PHE 183 N 0.41 0.66 -0.86 0.00 0.04 -1.22 -1.79 116.94 114.18 3d7l h PHE 183 Ca 0.08 -0.17 0.04 0.00 2.80 0.00 0.00 57.97 60.71 3d7l h PHE 183 Cb 0.42 -0.15 -0.05 0.00 2.20 0.00 0.00 35.95 38.37 3d7l h PHE 183 CO 0.01 0.84 0.56 1.49 -0.60 0.00 0.00 178.31 180.61 3d7l h GLU 184 N 0.29 1.04 -0.61 1.51 4.81 -1.07 -1.55 114.58 119.01 3d7l h GLU 184 Ca 0.05 -0.06 0.01 0.00 -0.13 0.00 0.00 59.36 59.23 3d7l h GLU 184 Cb 0.68 -0.24 -0.03 0.00 0.63 0.00 0.00 28.75 29.80 3d7l h GLU 184 CO 0.04 0.69 0.40 -0.22 -0.73 0.00 0.00 179.01 179.20 3d7l h LYS 185 N 1.07 0.80 -0.19 1.92 3.64 -0.88 0.81 116.57 123.74 3d7l h LYS 185 Ca 0.35 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.67 3d7l h LYS 185 Cb 0.02 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.65 3d7l h LYS 185 CO -0.12 0.53 0.07 1.03 -2.27 0.00 0.00 179.45 178.69 3d7l h SER 186 N 0.83 0.27 -0.17 4.20 0.87 -0.95 -0.91 113.55 117.69 3d7l h SER 186 Ca 0.22 -0.18 -0.03 0.00 -1.23 0.00 0.00 61.79 60.57 3d7l h SER 186 Cb -0.09 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 61.79 3d7l h SER 186 CO -0.05 0.38 -0.01 0.58 -0.53 0.00 0.00 176.83 177.20 3d7l h VAL 187 N 0.14 1.26 0.00 2.23 2.07 -1.10 -3.35 116.25 117.51 3d7l h VAL 187 Ca 0.06 -0.89 0.00 0.00 0.82 0.00 0.00 66.70 66.69 3d7l h VAL 187 Cb 0.20 1.52 0.00 0.00 -1.52 0.00 0.00 31.29 31.49 3d7l h VAL 187 CO -0.00 0.27 -1.59 0.49 0.02 0.00 0.00 177.57 176.75 3d7l n PHE 188 N -4.71 0.03 -0.62 1.57 3.72 0.26 -4.91 117.46 112.80 3d7l n PHE 188 Ca -0.05 0.01 0.00 0.00 -0.05 0.00 0.00 57.45 57.36 3d7l n PHE 188 Cb 0.23 -0.33 0.00 0.00 -0.94 0.00 0.00 39.48 38.45 3d7l n PHE 188 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3d7l n GLY 189 N 1.35 -1.06 0.30 1.37 0.00 -0.35 -5.05 105.19 101.76 3d7l n GLY 189 Ca -0.01 -1.64 0.03 0.00 0.00 0.00 0.00 46.02 44.40 3d7l n GLY 189 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d7l n ALA 190 N -3.00 2.02 -2.50 4.61 0.00 -1.26 -4.94 120.51 115.43 3d7l n ALA 190 Ca 0.00 -1.50 -0.27 0.00 0.00 0.00 0.00 53.44 51.66 3d7l n ALA 190 Cb 0.00 -0.41 -0.02 0.00 0.00 0.00 0.00 19.45 19.02 3d7l n ALA 190 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3d7l s GLN 191 N -0.99 3.59 0.03 0.00 -0.21 -1.26 -5.10 119.66 115.72 3d7l s GLN 191 Ca 0.11 -0.03 -0.04 0.00 0.02 0.00 0.00 55.36 55.42 3d7l s GLN 191 Cb 0.09 -2.59 -0.01 0.00 1.00 0.00 0.00 33.01 31.49 3d7l s GLN 191 CO 0.01 0.12 0.07 -0.08 -2.12 0.00 0.00 175.29 173.29 3d7l s THR 192 N -2.26 0.13 -0.97 -0.19 -1.32 -1.26 -4.65 115.64 105.11 3d7l s THR 192 Ca 0.44 -1.10 0.00 0.00 -1.21 0.00 0.00 61.69 59.81 3d7l s THR 192 Cb -0.10 -0.83 0.00 0.00 -1.51 0.00 0.00 72.50 70.06 3d7l s THR 192 CO 0.34 -0.61 0.00 0.61 -2.21 0.00 0.00 174.62 172.75 3d7l n GLY 193 N 0.87 0.90 3.89 6.08 0.00 0.12 -4.96 105.19 112.09 3d7l n GLY 193 Ca -0.19 -0.58 -0.25 0.00 0.00 0.00 0.00 46.02 45.00 3d7l n GLY 193 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3d7l s GLU 194 N -3.12 3.23 -0.29 1.61 0.41 -1.26 -4.63 118.70 114.66 3d7l s GLU 194 Ca 0.00 -0.75 0.00 0.00 -0.41 0.00 0.00 54.97 53.82 3d7l s GLU 194 Cb 0.00 -2.82 0.06 0.00 -1.78 0.00 0.00 34.13 29.59 3d7l s GLU 194 CO 0.00 0.48 -0.03 0.45 -0.49 0.00 0.00 175.26 175.67 3d7l s SER 195 N -3.38 4.72 -0.47 -0.19 0.15 -1.26 -1.30 113.70 111.97 3d7l s SER 195 Ca 0.33 -1.41 -0.23 0.00 0.70 0.00 0.00 55.95 55.34 3d7l s SER 195 Cb -0.10 -1.65 0.03 0.00 -1.71 0.00 0.00 66.02 62.59 3d7l s SER 195 CO 0.27 -0.25 0.83 -0.31 1.20 0.00 0.00 173.24 174.97 3d7l s TYR 196 N 1.17 2.95 -0.07 3.44 2.02 0.13 -4.92 117.35 122.06 3d7l s TYR 196 Ca -0.05 0.13 -0.22 0.00 -0.37 0.00 0.00 57.07 56.56 3d7l s TYR 196 Cb -0.20 -3.77 -0.04 0.00 -0.40 0.00 0.00 41.96 37.55 3d7l s TYR 196 CO -0.03 -1.07 0.62 -0.65 -1.57 0.00 0.00 175.55 172.85 3d7l s GLN 197 N 3.44 4.39 -0.70 -0.62 -0.21 -1.26 -0.47 119.66 124.24 3d7l s GLN 197 Ca 0.30 0.74 0.05 0.00 0.02 0.00 0.00 55.36 56.48 3d7l s GLN 197 Cb -0.12 -3.42 0.17 0.00 1.00 0.00 0.00 33.01 30.63 3d7l s GLN 197 CO 0.22 0.14 0.49 0.08 -2.12 0.00 0.00 175.29 174.11 3d7l s VAL 198 N 0.57 2.79 -1.85 1.09 1.01 -0.14 -4.94 120.40 118.93 3d7l s VAL 198 Ca 0.33 -4.23 0.15 0.00 0.00 0.00 0.00 61.98 58.23 3d7l s VAL 198 Cb -0.17 -2.84 0.12 0.00 0.00 0.00 0.00 36.38 33.49 3d7l s VAL 198 CO 0.16 -1.02 0.97 -1.22 0.00 0.00 0.00 175.10 173.99