#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qvg h VAL 2 N 0.00 1.39 -0.73 -1.45 -1.51 -1.99 -3.02 116.25 108.94 1qvg h VAL 2 Ca 0.00 -2.68 0.00 0.00 -1.23 0.00 0.00 66.70 62.79 1qvg h VAL 2 Cb 0.00 2.50 0.00 0.00 -2.13 0.00 0.00 31.29 31.66 1qvg h VAL 2 CO 0.00 0.73 0.00 0.00 -1.23 0.00 0.00 177.57 177.07 1qvg n TYR 3 N -3.45 1.09 -3.87 5.19 0.18 -1.26 -4.81 117.16 110.23 1qvg n TYR 3 Ca 0.00 -0.52 -0.36 0.00 1.88 0.00 0.00 57.90 58.91 1qvg n TYR 3 Cb 0.78 -0.05 -0.13 0.00 -0.38 0.00 0.00 39.34 39.56 1qvg n TYR 3 CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 1qvg s VAL 4 N -1.16 3.26 -1.22 -3.48 1.01 -1.14 -4.85 120.40 112.82 1qvg s VAL 4 Ca 0.50 -1.13 0.14 0.00 0.00 0.00 0.00 61.98 61.48 1qvg s VAL 4 Cb 0.27 -2.78 -0.01 0.00 0.00 0.00 0.00 36.38 33.86 1qvg s VAL 4 CO 0.32 -0.01 0.75 0.47 0.00 0.00 0.00 175.10 176.64 1qvg n ASP 5 N 4.71 1.42 -3.78 3.32 8.00 -1.26 -4.76 116.55 124.20 1qvg n ASP 5 Ca -0.14 -1.21 -0.13 0.00 0.71 0.00 0.00 54.79 54.02 1qvg n ASP 5 Cb 0.45 0.48 -0.10 0.00 -0.02 0.00 0.00 41.12 41.93 1qvg n ASP 5 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 1qvg s PHE 6 N -1.68 -0.27 -0.17 1.24 -0.12 -1.26 -5.14 117.98 110.57 1qvg s PHE 6 Ca 0.11 0.60 -0.11 0.00 -0.05 0.00 0.00 56.93 57.48 1qvg s PHE 6 Cb 0.11 0.10 -0.05 0.00 -0.63 0.00 0.00 43.02 42.55 1qvg s PHE 6 CO 0.35 -0.22 0.20 0.34 -0.05 0.00 0.00 175.22 175.83 1qvg s ASP 7 N -0.32 6.33 -0.51 1.98 2.15 -1.26 -4.97 116.67 120.06 1qvg s ASP 7 Ca -0.04 0.38 -0.20 0.00 0.43 0.00 0.00 52.55 53.12 1qvg s ASP 7 Cb -0.03 -2.13 0.06 0.00 -0.30 0.00 0.00 42.92 40.52 1qvg s ASP 7 CO 0.01 0.17 0.66 -0.69 -0.17 0.00 0.00 175.17 175.16 1qvg s VAL 8 N 0.26 4.82 0.32 1.11 1.01 -1.26 -5.04 120.40 121.61 1qvg s VAL 8 Ca 0.12 -0.42 -0.25 0.00 0.00 0.00 0.00 61.98 61.43 1qvg s VAL 8 Cb -0.12 -4.33 -0.15 0.00 0.00 0.00 0.00 36.38 31.78 1qvg s VAL 8 CO 0.01 -0.85 0.51 -2.65 0.00 0.00 0.00 175.10 172.12 1qvg n PRO 9 N 6.32 0.37 -0.26 2.72 -0.02 -1.26 -4.66 135.00 138.20 1qvg n PRO 9 Ca -0.06 0.13 0.05 0.00 -2.02 0.00 0.00 63.50 61.61 1qvg n PRO 9 Cb 0.45 -1.28 0.16 0.00 -0.02 0.00 0.00 33.50 32.81 1qvg n PRO 9 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1qvg h ALA 10 N 0.94 0.77 -0.20 3.55 0.00 -2.00 -1.97 119.26 120.34 1qvg h ALA 10 Ca -0.35 0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1qvg h ALA 10 Cb 1.41 0.45 -0.01 0.00 0.00 0.00 0.00 17.79 19.65 1qvg h ALA 10 CO 0.54 -0.43 0.09 -0.44 0.00 0.00 0.00 179.25 179.00 1qvg h ASP 11 N 0.08 0.27 -0.58 0.00 3.32 -2.01 -2.72 116.42 114.79 1qvg h ASP 11 Ca 0.42 -0.15 0.09 0.00 0.02 0.00 0.00 57.03 57.41 1qvg h ASP 11 Cb 0.73 -0.07 -0.07 0.00 0.22 0.00 0.00 39.33 40.14 1qvg h ASP 11 CO -0.70 0.34 0.18 0.25 -1.72 0.00 0.00 179.24 177.59 1qvg h LEU 12 N 0.18 0.14 -0.75 1.55 6.46 -1.71 -0.47 115.31 120.71 1qvg h LEU 12 Ca 0.07 0.08 0.12 0.00 -0.12 0.00 0.00 57.88 58.03 1qvg h LEU 12 Cb 0.15 0.09 -0.08 0.00 -0.73 0.00 0.00 40.66 40.08 1qvg h LEU 12 CO -0.01 0.09 0.35 -0.08 -0.62 0.00 0.00 178.44 178.17 1qvg h GLU 13 N 0.34 0.54 -0.38 1.25 4.81 -1.24 -1.01 114.58 118.89 1qvg h GLU 13 Ca 0.29 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.48 1qvg h GLU 13 Cb 0.38 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.62 1qvg h GLU 13 CO -0.32 0.35 0.21 -0.44 -0.73 0.00 0.00 179.01 178.08 1qvg h ASP 14 N 0.55 0.48 -0.11 1.04 3.32 -0.80 0.64 116.42 121.54 1qvg h ASP 14 Ca 0.39 -0.09 -0.02 0.00 0.02 0.00 0.00 57.03 57.33 1qvg h ASP 14 Cb 0.50 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.92 1qvg h ASP 14 CO -0.33 0.43 0.02 0.44 -1.72 0.00 0.00 179.24 178.08 1qvg h ASP 15 N 0.48 0.25 0.60 6.45 3.32 -0.83 0.19 116.42 126.89 1qvg h ASP 15 Ca 0.13 -0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.13 1qvg h ASP 15 Cb 0.06 -0.06 0.01 0.00 0.22 0.00 0.00 39.33 39.55 1qvg h ASP 15 CO -0.02 0.29 -0.29 0.00 -1.72 0.00 0.00 179.24 177.50 1qvg h ALA 16 N 1.75 -0.80 -0.79 3.45 0.00 -0.35 -2.02 119.26 120.50 1qvg h ALA 16 Ca 0.07 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 54.81 1qvg h ALA 16 Cb 0.16 0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 1qvg h ALA 16 CO 0.00 -0.79 0.52 -0.07 0.00 0.00 0.00 179.25 178.91 1qvg h LEU 17 N -1.13 0.85 -0.28 0.00 3.38 -0.56 -1.34 115.31 116.23 1qvg h LEU 17 Ca -0.08 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 57.92 1qvg h LEU 17 Cb 0.66 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.17 1qvg h LEU 17 CO 0.13 0.60 0.05 -0.33 0.09 0.00 0.00 178.44 178.98 1qvg h GLU 18 N 1.00 0.15 -0.64 1.13 5.08 -0.62 -1.49 114.58 119.18 1qvg h GLU 18 Ca 0.31 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.65 1qvg h GLU 18 Cb -0.01 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.18 1qvg h GLU 18 CO -0.08 0.10 0.38 0.00 -1.00 0.00 0.00 179.01 178.40 1qvg h ALA 19 N 1.21 1.46 -0.19 3.43 0.00 -0.55 -2.71 119.26 121.90 1qvg h ALA 19 Ca 0.13 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1qvg h ALA 19 Cb 0.14 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1qvg h ALA 19 CO -0.18 0.47 0.10 1.25 0.00 0.00 0.00 179.25 180.88 1qvg h LEU 20 N 0.89 0.25 -0.68 0.00 5.85 -0.29 -0.35 115.31 120.97 1qvg h LEU 20 Ca 0.23 -0.11 0.04 0.00 0.84 0.00 0.00 57.88 58.88 1qvg h LEU 20 Cb -0.02 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 40.89 1qvg h LEU 20 CO -0.04 0.29 0.40 -0.33 -0.34 0.00 0.00 178.44 178.43 1qvg h GLU 21 N 0.19 0.74 0.00 1.25 5.08 -1.04 0.71 114.58 121.52 1qvg h GLU 21 Ca 0.07 -0.04 -0.08 0.00 -1.00 0.00 0.00 59.36 58.30 1qvg h GLU 21 Cb 0.11 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 1qvg h GLU 21 CO -0.01 0.49 -0.38 -0.39 -1.00 0.00 0.00 179.01 177.72 1qvg h VAL 22 N 0.77 1.06 -0.43 3.13 -1.51 -1.36 -2.87 116.25 115.03 1qvg h VAL 22 Ca 0.29 -1.41 -0.05 0.00 -1.23 0.00 0.00 66.70 64.30 1qvg h VAL 22 Cb 0.11 1.81 -0.02 0.00 -2.13 0.00 0.00 31.29 31.05 1qvg h VAL 22 CO -0.14 0.37 0.08 0.00 -1.23 0.00 0.00 177.57 176.64 1qvg h ALA 23 N 1.62 0.58 -0.05 5.19 0.00 0.85 0.60 119.26 128.05 1qvg h ALA 23 Ca -0.00 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.63 1qvg h ALA 23 Cb 0.77 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1qvg h ALA 23 CO 0.05 0.29 -0.26 0.07 0.00 0.00 0.00 179.25 179.40 1qvg h ARG 24 N 0.58 0.08 0.14 0.00 0.11 -0.83 0.25 114.38 114.70 1qvg h ARG 24 Ca 0.13 -0.02 -0.35 0.00 0.10 0.00 0.00 59.98 59.84 1qvg h ARG 24 Cb 0.37 -0.01 -0.01 0.00 1.11 0.00 0.00 29.97 31.43 1qvg h ARG 24 CO 0.01 0.34 -1.84 -0.44 0.10 0.00 0.00 179.97 178.14 1qvg h ASP 25 N 0.08 0.45 0.21 0.08 3.32 -1.31 -3.42 116.42 115.84 1qvg h ASP 25 Ca 0.01 -0.92 -0.35 0.00 0.02 0.00 0.00 57.03 55.79 1qvg h ASP 25 Cb 0.50 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.87 1qvg h ASP 25 CO 0.04 1.80 -1.97 0.41 -1.72 0.00 0.00 179.24 177.80 1qvg n THR 26 N -3.61 1.71 0.00 0.35 -1.04 0.21 -5.01 114.28 106.89 1qvg n THR 26 Ca -0.29 -0.69 0.00 0.00 -2.04 0.00 0.00 64.05 61.02 1qvg n THR 26 Cb 1.02 -1.50 0.00 0.00 -1.82 0.00 0.00 70.33 68.04 1qvg n THR 26 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1qvg n GLY 27 N 1.89 4.26 3.03 3.41 0.00 0.87 -4.60 105.19 114.05 1qvg n GLY 27 Ca -0.29 -1.29 -0.20 0.00 0.00 0.00 0.00 46.02 44.24 1qvg n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qvg s ALA 28 N -2.11 0.84 0.03 4.61 0.00 -0.48 -4.64 121.76 120.00 1qvg s ALA 28 Ca 0.00 -0.40 0.02 0.00 0.00 0.00 0.00 51.96 51.58 1qvg s ALA 28 Cb 0.00 -0.25 -0.02 0.00 0.00 0.00 0.00 23.12 22.86 1qvg s ALA 28 CO 0.00 0.18 -0.06 0.14 0.00 0.00 0.00 175.76 176.02 1qvg s VAL 29 N -0.10 0.42 -0.17 0.00 -7.23 -1.26 0.23 120.40 112.29 1qvg s VAL 29 Ca 0.02 -0.83 -0.04 0.00 -1.81 0.00 0.00 61.98 59.32 1qvg s VAL 29 Cb -0.05 -0.47 -0.03 0.00 0.56 0.00 0.00 36.38 36.39 1qvg s VAL 29 CO -0.00 -0.28 -0.03 -0.54 -0.31 0.00 0.00 175.10 173.94 1qvg s LYS 30 N -1.19 3.64 -0.19 4.82 -0.14 0.28 -4.87 119.74 122.10 1qvg s LYS 30 Ca -0.08 -0.52 -0.04 0.00 -1.36 0.00 0.00 55.97 53.96 1qvg s LYS 30 Cb -0.08 -2.97 -0.02 0.00 -1.68 0.00 0.00 37.83 33.08 1qvg s LYS 30 CO 0.00 0.16 -0.02 0.15 -0.76 0.00 0.00 175.35 174.88 1qvg s LYS 31 N 0.59 3.60 0.00 1.68 1.02 -1.26 -0.51 119.74 124.86 1qvg s LYS 31 Ca -0.02 -0.54 0.00 0.00 0.02 0.00 0.00 55.97 55.43 1qvg s LYS 31 Cb -0.14 -3.01 0.00 0.00 -0.52 0.00 0.00 37.83 34.16 1qvg s LYS 31 CO 0.02 0.07 0.00 0.41 -0.92 0.00 0.00 175.35 174.94 1qvg n GLY 32 N 4.04 2.83 0.26 -3.33 0.00 -0.87 -4.69 105.19 103.44 1qvg n GLY 32 Ca -0.17 -1.54 0.01 0.00 0.00 0.00 0.00 46.02 44.32 1qvg n GLY 32 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1qvg h THR 33 N 0.00 0.84 0.74 2.61 2.02 -1.94 -0.23 112.91 116.96 1qvg h THR 33 Ca 0.00 -0.19 -0.03 0.00 0.77 0.00 0.00 66.41 66.96 1qvg h THR 33 Cb 0.00 0.23 -0.01 0.00 -1.74 0.00 0.00 68.15 66.63 1qvg h THR 33 CO 0.00 0.10 -0.49 -1.13 0.37 0.00 0.00 175.52 174.38 1qvg h ASN 34 N 0.56 -1.24 -0.74 4.18 -1.24 -1.94 0.22 115.58 115.39 1qvg h ASN 34 Ca 0.33 0.07 0.18 0.00 0.71 0.00 0.00 56.30 57.60 1qvg h ASN 34 Cb 0.36 0.37 -0.04 0.00 0.73 0.00 0.00 38.32 39.73 1qvg h ASN 34 CO -0.27 -0.73 0.51 -0.33 -1.29 0.00 0.00 177.43 175.32 1qvg h GLU 35 N -1.16 0.21 -0.22 6.67 5.08 -1.79 0.98 114.58 124.34 1qvg h GLU 35 Ca -0.10 -0.01 -0.09 0.00 -1.00 0.00 0.00 59.36 58.16 1qvg h GLU 35 Cb 0.94 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.14 1qvg h GLU 35 CO 0.08 0.14 -0.20 1.15 -1.00 0.00 0.00 179.01 179.18 1qvg h THR 36 N 0.22 1.32 -0.69 1.13 2.02 -0.45 -3.03 112.91 113.44 1qvg h THR 36 Ca 0.36 -1.35 0.00 0.00 0.77 0.00 0.00 66.41 66.19 1qvg h THR 36 Cb 1.10 1.70 -0.03 0.00 -1.74 0.00 0.00 68.15 69.17 1qvg h THR 36 CO -0.08 0.42 0.43 0.74 0.37 0.00 0.00 175.52 177.40 1qvg h THR 37 N 0.23 1.19 0.00 3.16 2.02 0.19 -2.27 112.91 117.43 1qvg h THR 37 Ca 0.04 -0.39 -0.06 0.00 0.77 0.00 0.00 66.41 66.77 1qvg h THR 37 Cb 0.75 0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 67.37 1qvg h THR 37 CO 0.05 0.19 -0.26 0.11 0.37 0.00 0.00 175.52 175.98 1qvg h LYS 38 N 0.93 0.00 0.14 6.66 1.57 -1.35 -2.42 116.57 122.11 1qvg h LYS 38 Ca 0.25 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.02 1qvg h LYS 38 Cb -0.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.25 1qvg h LYS 38 CO -0.05 0.26 -0.07 0.77 -0.57 0.00 0.00 179.45 179.80 1qvg h SER 39 N 0.00 -0.16 -0.75 0.86 0.02 -1.28 0.33 113.55 112.56 1qvg h SER 39 Ca -0.00 -0.16 0.09 0.00 -0.84 0.00 0.00 61.79 60.87 1qvg h SER 39 Cb 0.47 0.04 -0.05 0.00 0.14 0.00 0.00 62.40 63.00 1qvg h SER 39 CO 0.03 0.07 0.49 0.40 -1.14 0.00 0.00 176.83 176.69 1qvg h ILE 40 N -0.39 0.97 -0.00 3.27 2.04 -1.27 0.12 117.51 122.25 1qvg h ILE 40 Ca -0.02 -0.24 -0.23 0.00 1.00 0.00 0.00 64.86 65.37 1qvg h ILE 40 Cb 0.31 0.20 0.02 0.00 -0.74 0.00 0.00 36.82 36.61 1qvg h ILE 40 CO 0.03 0.13 -0.88 -0.33 0.00 0.00 0.00 178.15 177.10 1qvg h GLU 41 N 0.71 0.60 -0.04 2.37 5.08 -1.14 -3.11 114.58 119.06 1qvg h GLU 41 Ca 0.34 -0.65 0.00 0.00 -1.00 0.00 0.00 59.36 58.05 1qvg h GLU 41 Cb 0.39 0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.82 1qvg h GLU 41 CO -0.12 1.25 0.00 0.54 -1.00 0.00 0.00 179.01 179.68 1qvg n ARG 42 N -3.99 1.18 0.00 2.33 1.74 0.11 -4.91 116.66 113.12 1qvg n ARG 42 Ca -0.11 -0.27 0.00 0.00 -0.77 0.00 0.00 57.85 56.71 1qvg n ARG 42 Cb 0.81 -1.32 0.00 0.00 -1.02 0.00 0.00 32.46 30.93 1qvg n ARG 42 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1qvg n GLY 43 N 0.88 1.80 0.00 -0.13 0.00 0.38 -4.83 105.19 103.29 1qvg n GLY 43 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1qvg n GLY 43 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1qvg n SER 44 N 0.00 0.00 -4.68 1.61 3.41 -1.05 -4.69 113.62 108.22 1qvg n SER 44 Ca 0.00 -0.20 -0.35 0.00 -0.26 0.00 0.00 58.87 58.06 1qvg n SER 44 Cb 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 63.86 1qvg n SER 44 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1qvg s ALA 45 N -2.00 3.54 -0.25 7.33 0.00 -1.23 -4.26 121.76 124.89 1qvg s ALA 45 Ca 0.01 -0.72 -0.09 0.00 0.00 0.00 0.00 51.96 51.16 1qvg s ALA 45 Cb 0.00 -2.02 -0.12 0.00 0.00 0.00 0.00 23.12 20.98 1qvg s ALA 45 CO 0.00 0.19 -0.30 0.39 0.00 0.00 0.00 175.76 176.04 1qvg n GLU 46 N 3.47 0.54 -3.76 0.00 1.02 -1.09 -4.75 120.64 116.07 1qvg n GLU 46 Ca -0.16 0.21 -0.15 0.00 -0.02 0.00 0.00 57.16 57.04 1qvg n GLU 46 Cb 0.52 -1.41 -0.15 0.00 -0.02 0.00 0.00 31.44 30.38 1qvg n GLU 46 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1qvg s LEU 47 N -7.13 0.97 -0.08 -4.62 2.96 -1.21 -3.48 118.68 106.10 1qvg s LEU 47 Ca -0.34 0.12 0.03 0.00 -0.22 0.00 0.00 54.13 53.72 1qvg s LEU 47 Cb 0.12 0.06 -0.02 0.00 0.50 0.00 0.00 46.19 46.86 1qvg s LEU 47 CO 0.46 -0.13 -0.17 0.68 -1.32 0.00 0.00 176.35 175.87 1qvg s VAL 48 N 1.09 2.73 -0.10 1.68 -7.23 -0.42 0.74 120.40 118.90 1qvg s VAL 48 Ca -0.09 -0.82 -0.04 0.00 -1.81 0.00 0.00 61.98 59.22 1qvg s VAL 48 Cb -0.12 -2.07 -0.04 0.00 0.56 0.00 0.00 36.38 34.71 1qvg s VAL 48 CO -0.04 0.57 0.06 -0.36 -0.31 0.00 0.00 175.10 175.02 1qvg s PHE 49 N -0.24 3.36 -0.05 2.82 0.40 0.17 -0.41 117.98 124.03 1qvg s PHE 49 Ca 0.00 0.34 -0.01 0.00 -0.60 0.00 0.00 56.93 56.66 1qvg s PHE 49 Cb -0.13 -1.85 0.03 0.00 0.51 0.00 0.00 43.02 41.57 1qvg s PHE 49 CO 0.03 0.59 0.02 0.08 0.70 0.00 0.00 175.22 176.64 1qvg s VAL 50 N -0.95 0.16 0.79 -0.44 1.01 -0.57 -0.36 120.40 120.04 1qvg s VAL 50 Ca 0.14 0.20 -0.11 0.00 0.00 0.00 0.00 61.98 62.21 1qvg s VAL 50 Cb -0.12 -0.32 0.07 0.00 0.00 0.00 0.00 36.38 36.01 1qvg s VAL 50 CO 0.03 0.19 1.11 0.00 0.00 0.00 0.00 175.10 176.43 1qvg s ALA 51 N 1.66 2.13 -0.54 5.51 0.00 0.09 -1.01 121.76 129.59 1qvg s ALA 51 Ca -0.01 0.36 0.11 0.00 0.00 0.00 0.00 51.96 52.42 1qvg s ALA 51 Cb -0.13 -3.31 -0.12 0.00 0.00 0.00 0.00 23.12 19.56 1qvg s ALA 51 CO -0.03 -1.91 0.48 0.39 0.00 0.00 0.00 175.76 174.68 1qvg n GLU 52 N -3.55 3.30 -1.52 0.00 1.02 0.10 -4.53 120.64 115.46 1qvg n GLU 52 Ca 0.10 -0.01 -0.32 0.00 -0.02 0.00 0.00 57.16 56.90 1qvg n GLU 52 Cb 0.53 -1.03 0.06 0.00 -0.02 0.00 0.00 31.44 30.98 1qvg n GLU 52 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1qvg n ASP 53 N -1.24 6.93 -4.77 1.62 5.75 -1.18 -4.48 116.55 119.18 1qvg n ASP 53 Ca 0.02 -3.78 -0.37 0.00 -0.01 0.00 0.00 54.79 50.65 1qvg n ASP 53 Cb 0.17 -0.80 -0.06 0.00 -1.03 0.00 0.00 41.12 39.40 1qvg n ASP 53 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1qvg s VAL 54 N -4.76 5.17 -0.13 2.12 1.01 -1.26 -4.84 120.40 117.70 1qvg s VAL 54 Ca 0.61 0.78 -0.05 0.00 0.00 0.00 0.00 61.98 63.33 1qvg s VAL 54 Cb 0.48 -3.72 0.07 0.00 0.00 0.00 0.00 36.38 33.21 1qvg s VAL 54 CO 0.00 0.45 0.27 -1.58 0.00 0.00 0.00 175.10 174.24 1qvg s GLN 55 N -0.11 0.16 0.66 2.72 -0.44 -1.26 -3.92 119.66 117.47 1qvg s GLN 55 Ca 0.22 0.76 -0.16 0.00 -2.50 0.00 0.00 55.36 53.68 1qvg s GLN 55 Cb -0.15 -0.03 0.00 0.00 -1.64 0.00 0.00 33.01 31.19 1qvg s GLN 55 CO 0.10 -0.29 1.15 -2.14 0.50 0.00 0.00 175.29 174.61 1qvg s PRO 56 N 2.43 2.67 0.10 1.67 0.02 -1.26 -5.08 135.00 135.55 1qvg s PRO 56 Ca 0.01 1.57 0.22 0.00 0.02 0.00 0.00 61.00 62.82 1qvg s PRO 56 Cb -0.12 -1.92 0.88 0.00 0.02 0.00 0.00 34.50 33.36 1qvg s PRO 56 CO -0.09 -1.39 1.67 0.39 -0.33 0.00 0.00 177.00 177.26 1qvg n GLU 57 N -2.31 0.09 -0.02 5.54 1.02 -1.25 -3.50 120.64 120.21 1qvg n GLU 57 Ca 0.12 0.24 -0.01 0.00 -0.02 0.00 0.00 57.16 57.49 1qvg n GLU 57 Cb 0.51 -1.65 0.27 0.00 -0.02 0.00 0.00 31.44 30.55 1qvg n GLU 57 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1qvg h GLU 58 N 0.00 0.57 -0.28 3.49 3.07 -1.98 -0.87 114.58 118.57 1qvg h GLU 58 Ca 0.00 -0.13 0.08 0.00 -0.50 0.00 0.00 59.36 58.81 1qvg h GLU 58 Cb 0.41 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.23 1qvg h GLU 58 CO 0.00 0.61 0.29 0.82 -1.40 0.00 0.00 179.01 179.33 1qvg h ILE 59 N 0.54 0.48 0.00 3.13 2.04 -1.98 -3.13 117.51 118.59 1qvg h ILE 59 Ca 0.11 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.95 1qvg h ILE 59 Cb 0.37 0.77 -0.00 0.00 -0.74 0.00 0.00 36.82 37.22 1qvg h ILE 59 CO 0.01 0.00 -1.16 0.52 0.00 0.00 0.00 178.15 177.52 1qvg n VAL 60 N -3.84 0.07 -0.17 1.67 0.31 -1.03 -4.82 118.33 110.52 1qvg n VAL 60 Ca 0.04 -0.09 0.08 0.00 -0.01 0.00 0.00 64.34 64.36 1qvg n VAL 60 Cb 0.44 -0.03 0.16 0.00 -0.91 0.00 0.00 33.84 33.50 1qvg n VAL 60 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 1qvg n MET 61 N -1.78 -0.04 0.18 5.55 2.81 -0.36 -0.51 117.12 122.98 1qvg n MET 61 Ca -0.02 0.72 0.04 0.00 -1.81 0.00 0.00 57.70 56.63 1qvg n MET 61 Cb 0.26 -1.16 0.34 0.00 -0.71 0.00 0.00 33.22 31.94 1qvg n MET 61 CO 0.00 0.00 0.00 1.12 1.51 0.00 0.00 175.97 178.60 1qvg h HIS 62 N 0.00 0.00 -0.33 2.03 2.07 -1.88 -3.37 115.15 113.67 1qvg h HIS 62 Ca 0.31 0.00 0.04 0.00 -2.85 0.00 0.00 60.37 57.87 1qvg h HIS 62 Cb 0.67 0.00 -0.05 0.00 2.57 0.00 0.00 27.41 30.60 1qvg h HIS 62 CO -0.22 0.40 -0.33 0.82 -3.07 0.00 0.00 177.93 175.54 1qvg h ILE 63 N 0.00 0.00 0.00 6.12 1.08 -1.15 -0.89 117.51 122.67 1qvg h ILE 63 Ca -0.00 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 1qvg h ILE 63 Cb 0.85 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.60 1qvg h ILE 63 CO 0.05 0.00 0.00 -2.65 -0.69 0.00 0.00 178.15 174.86 1qvg n PRO 64 N -4.26 0.00 0.11 2.37 -0.02 -1.26 -0.23 135.00 131.72 1qvg n PRO 64 Ca -0.01 0.74 0.14 0.00 -2.02 0.00 0.00 63.50 62.35 1qvg n PRO 64 Cb 0.18 -1.28 0.65 0.00 -0.02 0.00 0.00 33.50 33.04 1qvg n PRO 64 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1qvg h GLU 65 N 0.00 0.04 -0.39 -0.52 4.81 -1.81 0.13 114.58 116.84 1qvg h GLU 65 Ca 0.00 -0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 1qvg h GLU 65 Cb 0.00 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 1qvg h GLU 65 CO 0.00 0.02 0.08 1.25 -0.73 0.00 0.00 179.01 179.64 1qvg h LEU 66 N 0.04 0.60 -0.64 1.64 5.85 -0.20 -2.39 115.31 120.21 1qvg h LEU 66 Ca 0.14 -0.24 -0.14 0.00 0.84 0.00 0.00 57.88 58.48 1qvg h LEU 66 Cb 0.50 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 1qvg h LEU 66 CO -0.01 0.69 -0.40 0.00 -0.34 0.00 0.00 178.44 178.38 1qvg h ALA 67 N 0.93 0.82 -0.73 1.25 0.00 0.62 -3.14 119.26 119.02 1qvg h ALA 67 Ca 0.12 -0.44 -0.06 0.00 0.00 0.00 0.00 54.91 54.52 1qvg h ALA 67 Cb 0.33 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1qvg h ALA 67 CO 0.00 0.65 0.21 -0.44 0.00 0.00 0.00 179.25 179.67 1qvg h ASP 68 N 0.50 1.08 -0.18 0.00 3.32 -0.82 -1.30 116.42 119.02 1qvg h ASP 68 Ca 0.04 -0.22 0.00 0.00 0.02 0.00 0.00 57.03 56.87 1qvg h ASP 68 Cb 0.92 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 40.18 1qvg h ASP 68 CO 0.08 1.02 0.00 -1.84 -1.72 0.00 0.00 179.24 176.78 1qvg n GLU 69 N -4.25 1.67 0.00 3.56 0.28 -0.92 -2.77 120.64 118.21 1qvg n GLU 69 Ca 0.06 -0.74 0.00 0.00 -0.16 0.00 0.00 57.16 56.31 1qvg n GLU 69 Cb 0.24 -1.36 0.00 0.00 1.43 0.00 0.00 31.44 31.75 1qvg n GLU 69 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1qvg n LYS 70 N 0.10 0.81 0.00 3.44 4.76 -0.82 -5.00 118.16 121.45 1qvg n LYS 70 Ca 0.07 -0.75 0.00 0.00 -2.87 0.00 0.00 58.31 54.76 1qvg n LYS 70 Cb 0.29 -0.76 0.00 0.00 -1.84 0.00 0.00 35.03 32.72 1qvg n LYS 70 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1qvg n GLY 71 N -0.17 1.25 3.68 0.72 0.00 -0.55 -4.94 105.19 105.18 1qvg n GLY 71 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.57 1qvg n GLY 71 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1qvg n VAL 72 N -1.34 0.36 -2.43 1.61 0.31 -1.06 -4.95 118.33 110.83 1qvg n VAL 72 Ca 0.00 -0.06 -0.37 0.00 -0.01 0.00 0.00 64.34 63.89 1qvg n VAL 72 Cb 0.00 -1.90 -0.03 0.00 -0.91 0.00 0.00 33.84 31.00 1qvg n VAL 72 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 1qvg s PRO 73 N 2.76 4.13 0.02 5.55 0.02 -1.23 -4.49 135.00 141.77 1qvg s PRO 73 Ca 0.85 1.67 0.01 0.00 0.02 0.00 0.00 61.00 63.55 1qvg s PRO 73 Cb -0.60 -2.63 -0.02 0.00 0.02 0.00 0.00 34.50 31.28 1qvg s PRO 73 CO 0.42 -0.21 -0.05 -0.59 -0.33 0.00 0.00 177.00 176.24 1qvg s PHE 74 N -1.52 0.45 0.08 6.54 -0.12 -1.26 -1.30 117.98 120.85 1qvg s PHE 74 Ca 0.57 -0.40 0.05 0.00 -0.05 0.00 0.00 56.93 57.10 1qvg s PHE 74 Cb -0.26 -0.28 -0.03 0.00 -0.63 0.00 0.00 43.02 41.81 1qvg s PHE 74 CO 0.33 -0.10 -0.14 -1.50 -0.05 0.00 0.00 175.22 173.77 1qvg s ILE 75 N -1.08 1.12 -0.18 -4.49 2.07 0.45 -4.95 121.20 114.14 1qvg s ILE 75 Ca -0.09 -1.41 -0.12 0.00 -1.41 0.00 0.00 60.65 57.62 1qvg s ILE 75 Cb -0.08 -1.18 -0.05 0.00 0.13 0.00 0.00 42.46 41.29 1qvg s ILE 75 CO -0.00 -0.30 0.21 -0.36 -1.91 0.00 0.00 174.94 172.58 1qvg s PHE 76 N -1.57 3.43 0.05 3.50 2.99 -1.26 -1.50 117.98 123.62 1qvg s PHE 76 Ca 0.01 0.46 0.03 0.00 0.00 0.00 0.00 56.93 57.42 1qvg s PHE 76 Cb -0.08 -2.26 -0.04 0.00 0.00 0.00 0.00 43.02 40.64 1qvg s PHE 76 CO 0.02 0.25 0.03 0.08 -0.00 0.00 0.00 175.22 175.61 1qvg s VAL 77 N 0.45 4.29 -0.13 -0.44 1.01 -0.18 -4.81 120.40 120.59 1qvg s VAL 77 Ca 0.12 -0.73 -0.14 0.00 0.00 0.00 0.00 61.98 61.23 1qvg s VAL 77 Cb -0.12 -3.00 -0.12 0.00 0.00 0.00 0.00 36.38 33.14 1qvg s VAL 77 CO 0.01 0.23 0.30 -0.33 0.00 0.00 0.00 175.10 175.31 1qvg h GLU 78 N 3.76 0.00 -6.46 2.72 4.39 -1.94 0.31 114.58 117.37 1qvg h GLU 78 Ca -0.48 0.00 -0.53 0.00 0.34 0.00 0.00 59.36 58.69 1qvg h GLU 78 Cb 1.17 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.79 1qvg h GLU 78 CO 0.61 0.49 0.15 -0.65 -1.16 0.00 0.00 179.01 178.45 1qvg s GLN 79 N -1.97 4.52 0.10 2.33 -1.52 -1.26 -3.13 119.66 118.73 1qvg s GLN 79 Ca -0.12 1.10 -0.08 0.00 -1.95 0.00 0.00 55.36 54.31 1qvg s GLN 79 Cb -0.00 -3.27 -0.17 0.00 -0.22 0.00 0.00 33.01 29.35 1qvg s GLN 79 CO 0.35 0.54 1.24 0.37 -0.25 0.00 0.00 175.29 177.54 1qvg h GLN 80 N 4.54 0.51 0.00 2.91 4.15 -1.88 -3.20 115.11 122.13 1qvg h GLN 80 Ca -0.47 -0.58 0.00 0.00 0.77 0.00 0.00 58.65 58.37 1qvg h GLN 80 Cb 1.21 0.17 0.00 0.00 0.21 0.00 0.00 27.48 29.07 1qvg h GLN 80 CO 0.66 1.21 0.00 -0.44 -1.93 0.00 0.00 178.83 178.33 1qvg h ASP 81 N 0.27 0.00 0.06 -0.69 3.32 -1.90 -1.73 116.42 115.75 1qvg h ASP 81 Ca -0.11 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 56.70 1qvg h ASP 81 Cb 1.68 0.00 0.01 0.00 0.22 0.00 0.00 39.33 41.24 1qvg h ASP 81 CO 0.19 0.00 -0.95 0.44 -1.72 0.00 0.00 179.24 177.20 1qvg h ASP 82 N 0.00 0.81 -0.36 6.45 3.32 -1.92 0.01 116.42 124.73 1qvg h ASP 82 Ca 0.00 -0.62 -0.03 0.00 0.02 0.00 0.00 57.03 56.41 1qvg h ASP 82 Cb 0.90 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 40.19 1qvg h ASP 82 CO 0.00 1.42 0.12 0.25 -1.72 0.00 0.00 179.24 179.31 1qvg h LEU 83 N 0.39 0.52 0.71 1.55 5.85 -1.54 0.93 115.31 123.71 1qvg h LEU 83 Ca -0.10 -0.19 -0.03 0.00 0.84 0.00 0.00 57.88 58.40 1qvg h LEU 83 Cb 1.59 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 42.48 1qvg h LEU 83 CO 0.18 0.57 -0.44 1.23 -0.34 0.00 0.00 178.44 179.64 1qvg h GLY 84 N 0.43 -1.24 -0.03 3.75 0.00 -1.35 -0.76 103.07 103.86 1qvg h GLY 84 Ca 0.12 0.51 0.12 0.00 0.00 0.00 0.00 47.33 48.08 1qvg h GLY 84 CO -0.01 -0.42 -0.02 0.84 0.00 0.00 0.00 176.54 176.93 1qvg h HIS 85 N -1.08 -0.08 -0.88 5.60 -0.00 -0.94 -0.52 115.15 117.25 1qvg h HIS 85 Ca -0.10 0.04 0.05 0.00 -0.00 0.00 0.00 60.37 60.37 1qvg h HIS 85 Cb 0.87 0.13 -0.06 0.00 -0.00 0.00 0.00 27.41 28.35 1qvg h HIS 85 CO -0.09 -0.17 0.56 0.00 -0.00 0.00 0.00 177.93 178.23 1qvg h ALA 86 N 1.54 1.18 0.00 5.26 0.00 -0.69 0.91 119.26 127.47 1qvg h ALA 86 Ca 0.30 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1qvg h ALA 86 Cb 0.48 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1qvg h ALA 86 CO -0.52 0.36 0.00 0.00 0.00 0.00 0.00 179.25 179.09 1qvg n ALA 87 N -2.35 1.74 -0.23 0.00 0.00 -0.30 -3.98 120.51 115.39 1qvg n ALA 87 Ca 0.12 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1qvg n ALA 87 Cb 0.13 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.34 1qvg n ALA 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qvg n GLY 88 N 0.01 0.87 3.87 0.00 0.00 0.31 -4.95 105.19 105.30 1qvg n GLY 88 Ca 0.05 -0.19 -0.32 0.00 0.00 0.00 0.00 46.02 45.55 1qvg n GLY 88 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1qvg s LEU 89 N 0.00 4.21 0.46 0.99 1.43 -0.35 -4.98 118.68 120.44 1qvg s LEU 89 Ca 0.00 0.25 0.25 0.00 -1.03 0.00 0.00 54.13 53.60 1qvg s LEU 89 Cb 0.00 -2.60 0.59 0.00 0.03 0.00 0.00 46.19 44.21 1qvg s LEU 89 CO 0.00 0.24 1.70 -0.08 0.23 0.00 0.00 176.35 178.43 1qvg h GLU 90 N 3.67 0.00 0.00 1.70 4.81 -1.92 -3.16 114.58 119.68 1qvg h GLU 90 Ca -0.48 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 58.72 1qvg h GLU 90 Cb 1.18 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.56 1qvg h GLU 90 CO 0.69 0.04 -0.00 0.28 -0.73 0.00 0.00 179.01 179.28 1qvg n VAL 91 N -3.12 0.00 -2.96 0.32 0.31 -1.26 -4.92 118.33 106.71 1qvg n VAL 91 Ca 0.03 -0.13 -0.18 0.00 -0.01 0.00 0.00 64.34 64.05 1qvg n VAL 91 Cb 0.49 -1.03 0.03 0.00 -0.91 0.00 0.00 33.84 32.41 1qvg n VAL 91 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1qvg s GLY 92 N -2.25 1.88 -0.07 2.92 0.00 -1.26 -3.64 107.32 104.90 1qvg s GLY 92 Ca 0.04 -1.73 -0.06 0.00 0.00 0.00 0.00 44.72 42.98 1qvg s GLY 92 CO 0.03 -1.47 0.19 -0.45 0.00 0.00 0.00 173.10 171.40 1qvg s SER 93 N -4.44 -0.19 0.14 1.64 0.15 -0.69 -4.73 113.70 105.58 1qvg s SER 93 Ca 0.57 0.38 -0.04 0.00 0.70 0.00 0.00 55.95 57.56 1qvg s SER 93 Cb -0.09 0.35 -0.07 0.00 -1.71 0.00 0.00 66.02 64.50 1qvg s SER 93 CO 0.35 -0.09 1.33 0.00 1.20 0.00 0.00 173.24 176.03 1qvg h ALA 94 N 6.29 0.40 -2.51 5.45 0.00 -1.96 -3.39 119.26 123.54 1qvg h ALA 94 Ca -0.31 -0.69 -0.07 0.00 0.00 0.00 0.00 54.91 53.85 1qvg h ALA 94 Cb 1.18 -0.03 -0.16 0.00 0.00 0.00 0.00 17.79 18.78 1qvg h ALA 94 CO 0.39 0.80 -0.05 0.00 0.00 0.00 0.00 179.25 180.39 1qvg s ALA 95 N -3.35 -1.12 0.08 0.00 0.00 -1.26 -0.73 121.76 115.37 1qvg s ALA 95 Ca -0.06 0.42 -0.02 0.00 0.00 0.00 0.00 51.96 52.30 1qvg s ALA 95 Cb 0.09 0.35 -0.04 0.00 0.00 0.00 0.00 23.12 23.53 1qvg s ALA 95 CO 0.86 -0.47 0.02 0.00 0.00 0.00 0.00 175.76 176.18 1qvg s ALA 96 N -2.44 0.53 -0.02 0.00 0.00 0.51 -2.05 121.76 118.29 1qvg s ALA 96 Ca -0.05 -1.22 -0.00 0.00 0.00 0.00 0.00 51.96 50.68 1qvg s ALA 96 Cb -0.01 0.48 0.03 0.00 0.00 0.00 0.00 23.12 23.62 1qvg s ALA 96 CO -0.02 -0.42 0.03 0.00 0.00 0.00 0.00 175.76 175.35 1qvg s ALA 97 N -3.95 0.08 -0.66 0.00 0.00 0.33 0.43 121.76 117.99 1qvg s ALA 97 Ca 0.12 0.31 -0.21 0.00 0.00 0.00 0.00 51.96 52.18 1qvg s ALA 97 Cb 0.07 -0.25 0.09 0.00 0.00 0.00 0.00 23.12 23.04 1qvg s ALA 97 CO -0.06 -0.11 0.88 0.08 0.00 0.00 0.00 175.76 176.54 1qvg s VAL 98 N 1.06 4.57 -0.91 0.00 1.01 0.23 0.10 120.40 126.47 1qvg s VAL 98 Ca -0.09 -0.76 -0.18 0.00 0.00 0.00 0.00 61.98 60.95 1qvg s VAL 98 Cb -0.13 -4.62 0.14 0.00 0.00 0.00 0.00 36.38 31.78 1qvg s VAL 98 CO -0.03 -1.33 1.07 0.28 0.00 0.00 0.00 175.10 175.10 1qvg s THR 99 N 3.34 4.83 -0.16 3.92 -1.32 0.14 -2.68 115.64 123.69 1qvg s THR 99 Ca 0.19 -1.65 -0.01 0.00 -1.21 0.00 0.00 61.69 59.01 1qvg s THR 99 Cb -0.18 -4.74 0.00 0.00 -1.51 0.00 0.00 72.50 66.07 1qvg s THR 99 CO 0.06 -1.44 0.03 0.47 -2.21 0.00 0.00 174.62 171.53 1qvg n ASP 100 N 6.26 -5.07 -2.66 8.08 9.92 -1.25 -3.22 116.55 128.62 1qvg n ASP 100 Ca 0.22 0.69 0.00 0.00 -0.53 0.00 0.00 54.79 55.17 1qvg n ASP 100 Cb 0.49 -3.21 0.00 0.00 -0.64 0.00 0.00 41.12 37.76 1qvg n ASP 100 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1qvg n ALA 101 N 0.30 0.00 -3.40 2.24 0.00 -1.26 -1.39 120.51 117.00 1qvg n ALA 101 Ca 0.01 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 1qvg n ALA 101 Cb 0.02 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.42 1qvg n ALA 101 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1qvg s GLY 102 N -0.34 0.06 -0.96 0.00 0.00 -1.26 -3.56 107.32 101.25 1qvg s GLY 102 Ca 0.00 3.32 -0.03 0.00 0.00 0.00 0.00 44.72 48.01 1qvg s GLY 102 CO 0.00 3.14 0.16 0.00 0.00 0.00 0.00 173.10 176.40 1qvg n ALA 103 N 4.48 -0.91 -1.66 3.20 0.00 -1.26 -4.33 120.51 120.03 1qvg n ALA 103 Ca -0.10 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1qvg n ALA 103 Cb 0.54 -1.75 0.00 0.00 0.00 0.00 0.00 19.45 18.25 1qvg n ALA 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1qvg n ALA 104 N -2.69 0.00 0.30 0.00 0.00 -1.26 -4.90 120.51 111.96 1qvg n ALA 104 Ca -0.08 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.51 1qvg n ALA 104 Cb 0.57 0.00 0.78 0.00 0.00 0.00 0.00 19.45 20.80 1qvg n ALA 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1qvg h ALA 105 N 0.00 1.25 -1.36 0.00 0.00 -1.90 0.37 119.26 117.62 1qvg h ALA 105 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1qvg h ALA 105 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1qvg h ALA 105 CO 0.00 -0.25 0.00 2.41 0.00 0.00 0.00 179.25 181.41 1qvg n THR 106 N -2.74 0.00 -0.30 0.00 -1.04 -1.26 -2.77 114.28 106.17 1qvg n THR 106 Ca -0.02 0.27 0.12 0.00 -2.04 0.00 0.00 64.05 62.39 1qvg n THR 106 Cb 0.31 -0.88 0.27 0.00 -1.82 0.00 0.00 70.33 68.22 1qvg n THR 106 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 1qvg h VAL 107 N 0.00 0.22 0.25 12.58 2.07 -1.87 -0.63 116.25 128.88 1qvg h VAL 107 Ca 0.00 -0.04 -0.01 0.00 0.82 0.00 0.00 66.70 67.47 1qvg h VAL 107 Cb 0.00 0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 29.85 1qvg h VAL 107 CO 0.00 0.02 -0.29 0.25 0.02 0.00 0.00 177.57 177.57 1qvg h LEU 108 N 0.12 -0.80 -1.19 2.57 5.85 -0.44 -1.13 115.31 120.28 1qvg h LEU 108 Ca 0.55 0.07 0.38 0.00 0.84 0.00 0.00 57.88 59.71 1qvg h LEU 108 Cb 1.10 0.27 -0.14 0.00 0.37 0.00 0.00 40.66 42.26 1qvg h LEU 108 CO -0.74 -0.37 0.68 -0.08 -0.34 0.00 0.00 178.44 177.60 1qvg h GLU 109 N -0.55 0.17 0.00 1.25 4.81 -0.96 0.89 114.58 120.19 1qvg h GLU 109 Ca -0.03 -0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.09 1qvg h GLU 109 Cb 0.49 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.81 1qvg h GLU 109 CO -0.05 0.11 -0.45 0.93 -0.73 0.00 0.00 179.01 178.82 1qvg h GLU 110 N 0.18 0.00 -0.26 1.92 5.08 -0.82 -2.66 114.58 118.01 1qvg h GLU 110 Ca 0.78 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.95 1qvg h GLU 110 Cb 2.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.38 1qvg h GLU 110 CO -0.54 0.45 -0.59 0.82 -1.00 0.00 0.00 179.01 178.15 1qvg h ILE 111 N 0.00 1.28 -0.62 3.13 2.04 0.20 0.75 117.51 124.29 1qvg h ILE 111 Ca -0.00 -1.77 0.01 0.00 1.00 0.00 0.00 64.86 64.09 1qvg h ILE 111 Cb 1.16 1.69 -0.03 0.00 -0.74 0.00 0.00 36.82 38.89 1qvg h ILE 111 CO 0.06 0.58 0.41 0.00 0.00 0.00 0.00 178.15 179.19 1qvg h ALA 112 N 0.68 1.58 0.02 1.87 0.00 -1.16 -1.14 119.26 121.11 1qvg h ALA 112 Ca 0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1qvg h ALA 112 Cb 1.20 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1qvg h ALA 112 CO 0.13 0.39 -0.01 -0.44 0.00 0.00 0.00 179.25 179.32 1qvg h ASP 113 N 0.82 -0.02 -0.95 0.00 3.32 -1.10 -2.01 116.42 116.48 1qvg h ASP 113 Ca 0.23 -0.51 0.15 0.00 0.02 0.00 0.00 57.03 56.93 1qvg h ASP 113 Cb -0.07 0.01 -0.09 0.00 0.22 0.00 0.00 39.33 39.39 1qvg h ASP 113 CO -0.05 0.50 0.56 0.11 -1.72 0.00 0.00 179.24 178.64 1qvg h LYS 114 N -0.55 0.77 0.18 3.56 1.57 -0.33 -1.60 116.57 120.19 1qvg h LYS 114 Ca -0.00 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 1qvg h LYS 114 Cb 0.52 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.66 1qvg h LYS 114 CO 0.00 0.51 -0.09 0.28 -0.57 0.00 0.00 179.45 179.59 1qvg h VAL 115 N 0.79 0.92 -0.99 0.50 2.07 -1.22 -0.29 116.25 118.03 1qvg h VAL 115 Ca 0.51 -0.85 0.29 0.00 0.82 0.00 0.00 66.70 67.48 1qvg h VAL 115 Cb 0.67 1.40 -0.14 0.00 -1.52 0.00 0.00 31.29 31.70 1qvg h VAL 115 CO -0.33 0.18 0.55 -0.33 0.02 0.00 0.00 177.57 177.66 1qvg h GLU 116 N -0.69 0.37 -0.03 1.57 4.39 -0.91 2.05 114.58 121.33 1qvg h GLU 116 Ca -0.03 -0.02 -0.15 0.00 0.34 0.00 0.00 59.36 59.50 1qvg h GLU 116 Cb 0.49 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.04 1qvg h GLU 116 CO 0.04 0.24 -0.66 0.93 -1.16 0.00 0.00 179.01 178.41 1qvg h GLU 117 N 0.38 0.14 0.00 2.33 5.08 -1.16 -2.03 114.58 119.32 1qvg h GLU 117 Ca 0.70 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.95 1qvg h GLU 117 Cb 1.51 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.78 1qvg h GLU 117 CO -0.58 0.75 0.00 -0.11 -1.00 0.00 0.00 179.01 178.07 1qvg n LEU 118 N -3.80 0.00 0.00 1.33 7.94 0.69 -5.10 117.00 118.05 1qvg n LEU 118 Ca -0.02 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.88 1qvg n LEU 118 Cb 0.65 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.60 1qvg n LEU 118 CO 0.44 0.00 0.00 -1.14 -1.11 0.00 0.00 177.39 175.58