#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qvg s ASP 2 N 0.00 3.06 -0.11 3.42 -1.08 -1.26 -5.01 116.67 115.69 1qvg s ASP 2 Ca 0.00 -0.99 0.18 0.00 -0.52 0.00 0.00 52.55 51.22 1qvg s ASP 2 Cb 0.00 -0.46 0.72 0.00 -1.46 0.00 0.00 42.92 41.72 1qvg s ASP 2 CO 0.00 -0.37 1.63 0.18 0.52 0.00 0.00 175.17 177.13 1qvg n LEU 3 N 5.15 4.76 -0.26 -1.34 4.77 -1.26 -4.53 117.00 124.29 1qvg n LEU 3 Ca -0.07 -2.46 -0.03 0.00 -0.03 0.00 0.00 56.01 53.42 1qvg n LEU 3 Cb 0.46 -0.58 0.09 0.00 -2.33 0.00 0.00 43.42 41.05 1qvg n LEU 3 CO 0.09 0.81 1.16 0.77 -1.33 0.00 0.00 177.39 178.90 1qvg h SER 4 N 4.04 0.77 -0.37 -1.43 4.64 -2.00 -1.02 113.55 118.18 1qvg h SER 4 Ca 0.00 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1qvg h SER 4 Cb 1.46 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 63.36 1qvg h SER 4 CO 0.23 0.53 0.24 0.00 -0.87 0.00 0.00 176.83 176.96 1qvg h ALA 5 N 1.31 0.47 -0.32 5.18 0.00 -2.01 -2.47 119.26 121.41 1qvg h ALA 5 Ca 0.30 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.21 1qvg h ALA 5 Cb 0.02 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 1qvg h ALA 5 CO -0.11 -0.06 0.12 1.96 0.00 0.00 0.00 179.25 181.16 1qvg h GLN 6 N 0.49 0.26 -0.58 0.00 7.50 -1.78 -1.57 115.11 119.44 1qvg h GLN 6 Ca 0.13 -0.02 0.11 0.00 0.50 0.00 0.00 58.65 59.38 1qvg h GLN 6 Cb -0.04 -0.06 -0.11 0.00 0.05 0.00 0.00 27.48 27.32 1qvg h GLN 6 CO -0.03 0.17 -0.26 0.87 -1.50 0.00 0.00 178.83 178.09 1qvg h LYS 7 N 0.27 -0.11 -0.65 1.46 1.79 -0.76 1.01 116.57 119.59 1qvg h LYS 7 Ca 0.14 0.01 0.02 0.00 -2.18 0.00 0.00 60.65 58.64 1qvg h LYS 7 Cb 0.10 0.02 -0.04 0.00 -1.58 0.00 0.00 32.23 30.74 1qvg h LYS 7 CO -0.14 -0.07 0.43 -0.09 -1.08 0.00 0.00 179.45 178.51 1qvg h ARG 8 N -0.11 0.79 0.17 3.15 2.43 -1.08 -1.10 114.38 118.62 1qvg h ARG 8 Ca 0.26 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.37 1qvg h ARG 8 Cb 0.52 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.89 1qvg h ARG 8 CO -0.65 0.52 -0.08 -0.07 -1.51 0.00 0.00 179.97 178.19 1qvg h LEU 9 N 0.82 -0.19 -0.46 3.80 3.38 0.16 -2.85 115.31 119.97 1qvg h LEU 9 Ca 0.25 -0.29 0.09 0.00 0.09 0.00 0.00 57.88 58.02 1qvg h LEU 9 Cb 0.01 0.05 -0.08 0.00 0.09 0.00 0.00 40.66 40.73 1qvg h LEU 9 CO -0.07 0.22 -0.06 0.00 0.09 0.00 0.00 178.44 178.63 1qvg h ALA 10 N 0.07 0.37 -0.47 1.53 0.00 0.69 -0.78 119.26 120.68 1qvg h ALA 10 Ca -0.02 0.16 0.12 0.00 0.00 0.00 0.00 54.91 55.16 1qvg h ALA 10 Cb 0.47 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 1qvg h ALA 10 CO 0.04 -0.42 0.33 0.00 0.00 0.00 0.00 179.25 179.20 1qvg h ALA 11 N 1.44 2.31 0.19 0.00 0.00 -1.20 0.69 119.26 122.69 1qvg h ALA 11 Ca 0.23 -0.01 -0.30 0.00 0.00 0.00 0.00 54.91 54.83 1qvg h ALA 11 Cb 0.35 0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.16 1qvg h ALA 11 CO -0.43 -0.44 -1.38 0.22 0.00 0.00 0.00 179.25 177.22 1qvg h ASP 12 N 0.10 0.62 -0.07 0.00 -0.00 -0.95 0.11 116.42 116.23 1qvg h ASP 12 Ca 0.22 -0.92 -0.02 0.00 -0.00 0.00 0.00 57.03 56.31 1qvg h ASP 12 Cb 0.75 -0.20 -0.00 0.00 -0.00 0.00 0.00 39.33 39.88 1qvg h ASP 12 CO -0.02 1.64 -0.03 1.62 -0.00 0.00 0.00 179.24 182.45 1qvg h VAL 13 N -0.07 1.32 0.00 2.25 3.04 -0.47 -2.40 116.25 119.93 1qvg h VAL 13 Ca -0.26 -1.02 0.00 0.00 -1.01 0.00 0.00 66.70 64.41 1qvg h VAL 13 Cb 1.96 1.86 0.00 0.00 -2.01 0.00 0.00 31.29 33.10 1qvg h VAL 13 CO 0.19 0.28 0.00 0.18 -1.01 0.00 0.00 177.57 177.20 1qvg n LEU 14 N -4.79 0.47 -3.35 3.16 4.77 0.23 -4.90 117.00 112.60 1qvg n LEU 14 Ca -0.07 0.61 -0.14 0.00 -0.03 0.00 0.00 56.01 56.38 1qvg n LEU 14 Cb 0.25 -0.54 0.02 0.00 -2.33 0.00 0.00 43.42 40.82 1qvg n LEU 14 CO 0.35 -0.44 0.10 -0.67 -1.33 0.00 0.00 177.39 175.40 1qvg n ASP 15 N -2.01 -6.57 -3.92 -1.43 -0.08 -0.87 -5.02 116.55 96.64 1qvg n ASP 15 Ca 0.03 -0.54 -0.09 0.00 -1.51 0.00 0.00 54.79 52.68 1qvg n ASP 15 Cb 0.22 -4.26 -0.05 0.00 2.34 0.00 0.00 41.12 39.38 1qvg n ASP 15 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1qvg s VAL 16 N -3.17 0.01 0.37 5.18 1.01 0.34 -5.02 120.40 119.13 1qvg s VAL 16 Ca 0.18 -1.21 -0.26 0.00 0.00 0.00 0.00 61.98 60.69 1qvg s VAL 16 Cb -0.05 -2.01 -0.09 0.00 0.00 0.00 0.00 36.38 34.23 1qvg s VAL 16 CO 0.80 -0.05 1.17 -0.83 0.00 0.00 0.00 175.10 176.18 1qvg s GLY 17 N -2.97 2.91 0.27 4.51 0.00 -1.26 -4.51 107.32 106.26 1qvg s GLY 17 Ca 0.18 0.97 -0.01 0.00 0.00 0.00 0.00 44.72 45.86 1qvg s GLY 17 CO 0.06 1.51 1.72 0.50 0.00 0.00 0.00 173.10 176.88 1qvg h LYS 18 N 2.91 0.43 0.00 2.90 1.57 -1.90 0.15 116.57 122.63 1qvg h LYS 18 Ca -0.48 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.27 1qvg h LYS 18 Cb 1.23 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.44 1qvg h LYS 18 CO 0.64 0.28 0.00 0.09 -0.57 0.00 0.00 179.45 179.89 1qvg n ASN 19 N -5.01 0.00 -0.12 0.86 3.02 -1.26 -1.56 115.26 111.18 1qvg n ASN 19 Ca 0.18 0.50 0.09 0.00 -0.03 0.00 0.00 54.58 55.31 1qvg n ASN 19 Cb 0.51 -0.50 -0.08 0.00 -0.61 0.00 0.00 39.78 39.11 1qvg n ASN 19 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1qvg n ARG 20 N -1.50 1.10 -2.72 3.52 1.74 0.53 -4.93 116.66 114.40 1qvg n ARG 20 Ca 0.00 -0.25 -0.41 0.00 -0.77 0.00 0.00 57.85 56.42 1qvg n ARG 20 Cb 0.01 -1.37 -0.04 0.00 -1.02 0.00 0.00 32.46 30.04 1qvg n ARG 20 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1qvg s VAL 21 N -2.58 4.53 0.00 1.55 -7.23 -0.60 0.11 120.40 116.17 1qvg s VAL 21 Ca 0.09 2.05 0.05 0.00 -1.81 0.00 0.00 61.98 62.37 1qvg s VAL 21 Cb 0.14 -4.31 -0.03 0.00 0.56 0.00 0.00 36.38 32.74 1qvg s VAL 21 CO 0.68 0.29 -0.13 0.86 -0.31 0.00 0.00 175.10 176.49 1qvg s TRP 22 N 0.13 2.71 -0.11 2.82 -0.00 0.59 -4.91 118.94 120.16 1qvg s TRP 22 Ca 0.48 -0.15 0.03 0.00 -0.00 0.00 0.00 56.10 56.45 1qvg s TRP 22 Cb -0.23 -1.56 0.01 0.00 -0.00 0.00 0.00 33.47 31.69 1qvg s TRP 22 CO 0.30 0.28 -0.19 -0.06 -0.00 0.00 0.00 176.95 177.27 1qvg s PHE 23 N -0.90 2.32 -0.09 5.86 0.08 -1.26 -2.21 117.98 121.77 1qvg s PHE 23 Ca 0.15 -1.08 -0.32 0.00 0.12 0.00 0.00 56.93 55.80 1qvg s PHE 23 Cb -0.11 -1.60 -0.10 0.00 -0.57 0.00 0.00 43.02 40.64 1qvg s PHE 23 CO 0.05 -0.50 2.00 -1.71 -0.10 0.00 0.00 175.22 174.96 1qvg n ASN 24 N 3.98 3.57 0.23 1.36 2.85 -0.31 -4.83 115.26 122.10 1qvg n ASN 24 Ca -0.20 0.76 0.12 0.00 -0.11 0.00 0.00 54.58 55.15 1qvg n ASN 24 Cb 0.52 -1.45 0.62 0.00 1.24 0.00 0.00 39.78 40.71 1qvg n ASN 24 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1qvg h PRO 25 N 11.03 0.00 -0.00 1.20 0.11 -1.98 -0.73 132.00 141.62 1qvg h PRO 25 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1qvg h PRO 25 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1qvg h PRO 25 CO 0.95 0.00 -0.59 0.39 -0.21 0.00 0.00 178.00 178.54 1qvg n GLU 26 N -2.42 0.22 -1.46 1.05 1.02 -1.26 -4.30 120.64 113.48 1qvg n GLU 26 Ca -0.02 -0.15 -0.12 0.00 -0.02 0.00 0.00 57.16 56.86 1qvg n GLU 26 Cb 0.24 -1.50 0.10 0.00 -0.02 0.00 0.00 31.44 30.26 1qvg n GLU 26 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1qvg n ARG 27 N -1.26 2.79 0.19 3.49 1.74 -0.28 -4.78 116.66 118.56 1qvg n ARG 27 Ca 0.06 -3.82 -0.15 0.00 -0.77 0.00 0.00 57.85 53.18 1qvg n ARG 27 Cb 0.35 -2.01 -0.08 0.00 -1.02 0.00 0.00 32.46 29.70 1qvg n ARG 27 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 1qvg h GLN 28 N 1.71 -0.42 -0.60 5.56 4.20 -1.75 -0.25 115.11 123.56 1qvg h GLN 28 Ca 0.22 0.03 0.11 0.00 0.06 0.00 0.00 58.65 59.06 1qvg h GLN 28 Cb 1.33 0.10 -0.11 0.00 0.30 0.00 0.00 27.48 29.09 1qvg h GLN 28 CO 0.45 -0.22 -0.34 0.78 -0.67 0.00 0.00 178.83 178.83 1qvg h GLY 29 N -0.53 -0.11 1.00 3.46 0.00 -1.94 1.53 103.07 106.49 1qvg h GLY 29 Ca -0.04 0.44 0.00 0.00 0.00 0.00 0.00 47.33 47.73 1qvg h GLY 29 CO 0.07 -0.21 0.34 -0.55 0.00 0.00 0.00 176.54 176.20 1qvg h ASP 30 N -0.16 0.60 -0.03 0.19 3.32 -1.87 -1.38 116.42 117.09 1qvg h ASP 30 Ca 0.23 -0.02 -0.07 0.00 0.02 0.00 0.00 57.03 57.19 1qvg h ASP 30 Cb 0.55 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.94 1qvg h ASP 30 CO -0.69 0.44 -0.17 0.40 -1.72 0.00 0.00 179.24 177.50 1qvg h ILE 31 N 0.70 1.23 -0.72 0.35 2.04 0.85 -2.39 117.51 119.57 1qvg h ILE 31 Ca 0.19 -1.03 0.02 0.00 1.00 0.00 0.00 64.86 65.04 1qvg h ILE 31 Cb -0.07 1.25 -0.04 0.00 -0.74 0.00 0.00 36.82 37.22 1qvg h ILE 31 CO -0.04 0.32 0.47 0.00 0.00 0.00 0.00 178.15 178.90 1qvg h ALA 32 N 1.48 0.93 0.00 1.87 0.00 0.31 -1.51 119.26 122.33 1qvg h ALA 32 Ca 0.06 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1qvg h ALA 32 Cb 0.51 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1qvg h ALA 32 CO 0.03 0.30 0.00 -0.44 0.00 0.00 0.00 179.25 179.14 1qvg h ASP 33 N 0.94 0.00 -2.61 0.00 3.32 -0.83 -3.43 116.42 113.81 1qvg h ASP 33 Ca 0.27 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.79 1qvg h ASP 33 Cb -0.06 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.50 1qvg h ASP 33 CO -0.08 0.00 1.06 0.00 -1.72 0.00 0.00 179.24 178.51 1qvg s ALA 34 N -3.35 3.65 0.00 3.45 0.00 -0.57 -4.84 121.76 120.11 1qvg s ALA 34 Ca 0.04 1.16 0.00 0.00 0.00 0.00 0.00 51.96 53.16 1qvg s ALA 34 Cb 0.09 -3.73 0.00 0.00 0.00 0.00 0.00 23.12 19.48 1qvg s ALA 34 CO 0.42 -1.26 0.00 -0.89 0.00 0.00 0.00 175.76 174.03 1qvg n ILE 35 N 5.06 0.00 -4.22 0.00 2.08 -1.26 -4.91 119.36 116.12 1qvg n ILE 35 Ca 0.17 0.00 -0.25 0.00 0.56 0.00 0.00 62.75 63.23 1qvg n ILE 35 Cb 0.41 -0.43 -0.07 0.00 -0.75 0.00 0.00 39.64 38.80 1qvg n ILE 35 CO 0.00 0.00 0.00 0.42 0.56 0.00 0.00 176.55 177.53 1qvg s THR 36 N -1.70 3.74 0.36 1.39 -4.23 -1.26 -4.99 115.64 108.95 1qvg s THR 36 Ca 0.00 -1.56 0.11 0.00 -1.18 0.00 0.00 61.69 59.06 1qvg s THR 36 Cb 0.00 -2.93 0.34 0.00 1.34 0.00 0.00 72.50 71.24 1qvg s THR 36 CO 0.00 -0.22 1.85 0.03 -0.54 0.00 0.00 174.62 175.74 1qvg h ARG 37 N 2.31 0.60 -0.48 3.99 3.08 -1.98 0.17 114.38 122.08 1qvg h ARG 37 Ca -0.46 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 59.54 1qvg h ARG 37 Cb 1.22 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 31.11 1qvg h ARG 37 CO 0.59 0.40 0.25 1.49 -1.07 0.00 0.00 179.97 181.63 1qvg h GLU 38 N 0.62 0.68 -0.79 0.04 4.57 -2.00 -0.40 114.58 117.30 1qvg h GLU 38 Ca 0.48 -0.09 0.15 0.00 -1.18 0.00 0.00 59.36 58.72 1qvg h GLU 38 Cb 0.89 -0.13 -0.05 0.00 -0.16 0.00 0.00 28.75 29.30 1qvg h GLU 38 CO -0.23 0.55 0.52 -0.44 -1.18 0.00 0.00 179.01 178.24 1qvg h ASP 39 N 0.63 0.43 0.59 1.04 3.32 -1.07 -1.41 116.42 119.96 1qvg h ASP 39 Ca 0.17 0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.21 1qvg h ASP 39 Cb 0.09 -0.06 0.01 0.00 0.22 0.00 0.00 39.33 39.58 1qvg h ASP 39 CO -0.02 0.22 -0.29 0.58 -1.72 0.00 0.00 179.24 178.01 1qvg h VAL 40 N 0.46 0.00 -1.06 -1.35 2.07 -0.41 -2.50 116.25 113.45 1qvg h VAL 40 Ca 0.39 -0.30 0.35 0.00 0.82 0.00 0.00 66.70 67.96 1qvg h VAL 40 Cb 0.86 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.48 1qvg h VAL 40 CO -0.14 0.00 0.63 0.03 0.02 0.00 0.00 177.57 178.11 1qvg h ARG 41 N -1.09 0.25 -0.35 1.57 3.08 -0.48 0.47 114.38 117.83 1qvg h ARG 41 Ca -0.08 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 59.93 1qvg h ARG 41 Cb 0.61 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.59 1qvg h ARG 41 CO 0.13 0.16 0.12 1.49 -1.07 0.00 0.00 179.97 180.81 1qvg h GLU 42 N 0.26 0.53 0.00 0.04 4.81 -1.21 0.13 114.58 119.13 1qvg h GLU 42 Ca 0.75 -0.11 -0.07 0.00 -0.13 0.00 0.00 59.36 59.80 1qvg h GLU 42 Cb 1.88 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 31.17 1qvg h GLU 42 CO -0.56 0.55 -0.32 -0.07 -0.73 0.00 0.00 179.01 177.88 1qvg h LEU 43 N 0.41 0.00 -0.08 1.64 3.38 0.18 -1.99 115.31 118.85 1qvg h LEU 43 Ca 0.11 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 1qvg h LEU 43 Cb 0.23 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 1qvg h LEU 43 CO -0.01 0.32 -0.04 0.58 0.09 0.00 0.00 178.44 179.38 1qvg h VAL 44 N 0.00 1.33 0.00 1.22 2.07 0.33 0.34 116.25 121.54 1qvg h VAL 44 Ca -0.00 -1.06 -0.00 0.00 0.82 0.00 0.00 66.70 66.46 1qvg h VAL 44 Cb 0.76 1.87 -0.00 0.00 -1.52 0.00 0.00 31.29 32.40 1qvg h VAL 44 CO 0.04 0.29 -0.01 0.44 0.02 0.00 0.00 177.57 178.36 1qvg h ASP 45 N -0.21 0.00 -0.17 0.57 3.32 -0.51 0.14 116.42 119.57 1qvg h ASP 45 Ca 0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.07 1qvg h ASP 45 Cb 0.49 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.04 1qvg h ASP 45 CO 0.01 0.01 0.00 -0.62 -1.72 0.00 0.00 179.24 176.92 1qvg n GLU 46 N -3.11 1.81 -1.18 3.56 1.02 -0.77 -4.92 120.64 117.05 1qvg n GLU 46 Ca -0.01 -1.21 -0.06 0.00 -0.02 0.00 0.00 57.16 55.85 1qvg n GLU 46 Cb 0.19 -1.42 -0.03 0.00 -0.02 0.00 0.00 31.44 30.17 1qvg n GLU 46 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1qvg n GLY 47 N 1.17 0.74 0.20 0.62 0.00 0.50 -4.85 105.19 103.57 1qvg n GLY 47 Ca 0.17 -0.17 0.09 0.00 0.00 0.00 0.00 46.02 46.10 1qvg n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qvg h ALA 48 N 0.00 0.90 -3.34 4.61 0.00 -1.12 -3.42 119.26 116.89 1qvg h ALA 48 Ca -0.12 -0.16 -0.56 0.00 0.00 0.00 0.00 54.91 54.07 1qvg h ALA 48 Cb 0.75 -0.03 -0.34 0.00 0.00 0.00 0.00 17.79 18.17 1qvg h ALA 48 CO 0.18 0.21 -0.83 0.42 0.00 0.00 0.00 179.25 179.24 1qvg s ILE 49 N -3.18 1.37 0.23 0.00 1.01 -1.10 -1.16 121.20 118.37 1qvg s ILE 49 Ca 0.05 -0.59 0.00 0.00 0.00 0.00 0.00 60.65 60.12 1qvg s ILE 49 Cb 0.06 -1.25 -0.04 0.00 0.01 0.00 0.00 42.46 41.25 1qvg s ILE 49 CO 0.68 0.41 0.18 -1.10 0.00 0.00 0.00 174.94 175.12 1qvg s GLN 50 N 0.82 1.34 -0.14 2.79 -0.21 -0.94 -4.51 119.66 118.81 1qvg s GLN 50 Ca -0.11 -1.69 0.01 0.00 0.02 0.00 0.00 55.36 53.59 1qvg s GLN 50 Cb -0.15 0.29 -0.00 0.00 1.00 0.00 0.00 33.01 34.15 1qvg s GLN 50 CO 0.02 -0.46 -0.17 0.00 -2.12 0.00 0.00 175.29 172.55 1qvg s ALA 51 N -3.99 2.44 0.82 6.09 0.00 -1.26 -0.30 121.76 125.56 1qvg s ALA 51 Ca 0.38 -1.03 -0.11 0.00 0.00 0.00 0.00 51.96 51.21 1qvg s ALA 51 Cb 0.06 -1.15 0.09 0.00 0.00 0.00 0.00 23.12 22.12 1qvg s ALA 51 CO 0.15 0.03 1.12 0.21 0.00 0.00 0.00 175.76 177.27 1qvg s LYS 52 N 0.72 1.78 0.11 0.00 2.47 0.29 -4.97 119.74 120.15 1qvg s LYS 52 Ca -0.07 1.38 -0.22 0.00 -1.56 0.00 0.00 55.97 55.49 1qvg s LYS 52 Cb -0.16 -1.83 -0.07 0.00 -1.46 0.00 0.00 37.83 34.31 1qvg s LYS 52 CO 0.01 -2.04 0.68 -0.51 0.16 0.00 0.00 175.35 173.65 1qvg s ASP 53 N -2.96 7.23 0.15 1.43 1.01 -1.26 -4.96 116.67 117.30 1qvg s ASP 53 Ca 0.65 1.45 -0.25 0.00 0.71 0.00 0.00 52.55 55.11 1qvg s ASP 53 Cb -0.20 -2.43 -0.08 0.00 1.01 0.00 0.00 42.92 41.22 1qvg s ASP 53 CO 0.55 0.23 0.78 -1.59 0.21 0.00 0.00 175.17 175.35 1qvg s LYS 54 N -1.06 4.56 0.56 8.23 -2.85 -1.26 -5.05 119.74 122.87 1qvg s LYS 54 Ca 0.33 1.15 -0.04 0.00 -1.00 0.00 0.00 55.97 56.40 1qvg s LYS 54 Cb -0.21 -3.28 0.01 0.00 -2.06 0.00 0.00 37.83 32.29 1qvg s LYS 54 CO 0.23 0.53 0.85 -1.59 0.10 0.00 0.00 175.35 175.46 1qvg s LYS 55 N -0.98 2.94 0.10 1.78 -2.85 -1.26 -5.10 119.74 114.37 1qvg s LYS 55 Ca 0.36 -0.12 0.04 0.00 -1.00 0.00 0.00 55.97 55.26 1qvg s LYS 55 Cb -0.23 -2.34 -0.04 0.00 -2.06 0.00 0.00 37.83 33.17 1qvg s LYS 55 CO 0.26 -0.61 -0.11 0.20 0.10 0.00 0.00 175.35 175.18 1qvg s GLY 56 N -4.29 0.91 0.11 0.59 0.00 -1.26 -5.12 107.32 98.26 1qvg s GLY 56 Ca 0.53 -1.20 -0.30 0.00 0.00 0.00 0.00 44.72 43.75 1qvg s GLY 56 CO 0.43 -1.26 1.01 -1.31 0.00 0.00 0.00 173.10 171.97 1qvg s ASN 57 N -2.39 7.42 -0.06 1.64 -0.87 -1.26 -4.98 114.94 114.43 1qvg s ASN 57 Ca 0.06 1.86 -0.30 0.00 -1.57 0.00 0.00 52.86 52.90 1qvg s ASN 57 Cb -0.04 -2.59 -0.04 0.00 -0.02 0.00 0.00 41.25 38.56 1qvg s ASN 57 CO 0.01 -0.14 1.42 -0.44 -2.57 0.00 0.00 177.10 175.38 1qvg s SER 58 N 0.13 6.84 -0.13 -1.22 0.01 -1.26 -4.90 113.70 113.17 1qvg s SER 58 Ca 0.49 2.02 0.15 0.00 1.31 0.00 0.00 55.95 59.91 1qvg s SER 58 Cb -0.25 -2.55 0.66 0.00 0.21 0.00 0.00 66.02 64.10 1qvg s SER 58 CO 0.31 -0.77 1.54 0.54 0.41 0.00 0.00 173.24 175.27 1qvg n ARG 59 N 6.10 3.72 0.00 12.44 1.74 -1.26 -4.57 116.66 134.83 1qvg n ARG 59 Ca 0.14 -2.58 -0.00 0.00 -0.77 0.00 0.00 57.85 54.64 1qvg n ARG 59 Cb 0.44 -1.93 -0.00 0.00 -1.02 0.00 0.00 32.46 29.95 1qvg n ARG 59 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 1qvg h GLY 60 N 4.32 -0.20 0.09 -0.13 0.00 -2.00 -0.01 103.07 105.14 1qvg h GLY 60 Ca 0.00 0.09 0.25 0.00 0.00 0.00 0.00 47.33 47.66 1qvg h GLY 60 CO 0.28 -0.08 0.71 3.21 0.00 0.00 0.00 176.54 180.66 1qvg h ARG 61 N -0.01 0.00 -0.16 4.80 3.08 -2.01 0.54 114.38 120.62 1qvg h ARG 61 Ca -0.00 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 1qvg h ARG 61 Cb 0.01 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.05 1qvg h ARG 61 CO 0.00 0.00 -0.04 0.00 -1.07 0.00 0.00 179.97 178.86 1qvg h ALA 62 N 1.38 0.22 -0.70 0.04 0.00 -1.72 -2.72 119.26 115.77 1qvg h ALA 62 Ca 0.41 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 1qvg h ALA 62 Cb 1.83 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 19.53 1qvg h ALA 62 CO -0.00 -0.01 0.18 0.00 0.00 0.00 0.00 179.25 179.41 1qvg h ARG 63 N 0.02 1.12 0.22 0.00 3.08 0.20 0.10 114.38 119.11 1qvg h ARG 63 Ca 0.04 -0.26 0.01 0.00 0.07 0.00 0.00 59.98 59.83 1qvg h ARG 63 Cb 0.48 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 1qvg h ARG 63 CO 0.02 0.98 -0.25 0.93 -1.07 0.00 0.00 179.97 180.58 1qvg h GLU 64 N 1.05 -0.50 -0.39 0.04 5.08 -1.31 -1.05 114.58 117.50 1qvg h GLU 64 Ca 0.22 0.03 0.08 0.00 -1.00 0.00 0.00 59.36 58.69 1qvg h GLU 64 Cb 0.36 0.11 -0.07 0.00 0.50 0.00 0.00 28.75 29.65 1qvg h GLU 64 CO 0.00 -0.33 -0.06 -0.09 -1.00 0.00 0.00 179.01 177.53 1qvg h ARG 65 N -0.52 0.03 -0.99 2.33 2.43 -1.23 -1.49 114.38 114.95 1qvg h ARG 65 Ca 0.00 -0.00 0.19 0.00 -0.81 0.00 0.00 59.98 59.36 1qvg h ARG 65 Cb 0.49 -0.01 -0.11 0.00 -0.42 0.00 0.00 29.97 29.93 1qvg h ARG 65 CO -0.08 0.02 0.59 1.96 -1.51 0.00 0.00 179.97 180.95 1qvg h GLN 66 N 0.03 0.72 0.38 0.20 4.20 -0.25 -1.30 115.11 119.10 1qvg h GLN 66 Ca 0.19 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.84 1qvg h GLN 66 Cb 0.28 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 27.91 1qvg h GLN 66 CO -0.37 0.47 -0.18 0.87 -0.67 0.00 0.00 178.83 178.95 1qvg h LYS 67 N 0.74 -0.50 -0.98 1.46 1.57 -0.18 -0.97 116.57 117.71 1qvg h LYS 67 Ca 0.57 0.03 0.23 0.00 -1.87 0.00 0.00 60.65 59.62 1qvg h LYS 67 Cb 0.89 0.11 -0.12 0.00 0.08 0.00 0.00 32.23 33.20 1qvg h LYS 67 CO -0.39 -0.19 0.56 0.87 -0.57 0.00 0.00 179.45 179.73 1qvg h LYS 68 N -0.86 0.56 0.00 3.15 1.79 -0.90 0.06 116.57 120.37 1qvg h LYS 68 Ca -0.05 -0.03 -0.19 0.00 -2.18 0.00 0.00 60.65 58.20 1qvg h LYS 68 Cb 0.54 -0.13 -0.02 0.00 -1.58 0.00 0.00 32.23 31.05 1qvg h LYS 68 CO 0.09 0.37 -0.84 0.00 -1.08 0.00 0.00 179.45 177.98 1qvg h ARG 69 N 0.58 0.14 0.00 3.15 3.08 -1.18 0.36 114.38 120.50 1qvg h ARG 69 Ca 0.61 -0.15 -0.04 0.00 0.07 0.00 0.00 59.98 60.48 1qvg h ARG 69 Cb 1.13 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 31.22 1qvg h ARG 69 CO -0.47 0.90 -0.19 0.00 -1.07 0.00 0.00 179.97 179.14 1qvg h ALA 70 N 1.05 0.96 -0.01 0.04 0.00 0.29 -2.43 119.26 119.16 1qvg h ALA 70 Ca -0.03 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1qvg h ALA 70 Cb 1.46 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.22 1qvg h ALA 70 CO 0.12 0.24 -0.15 1.17 0.00 0.00 0.00 179.25 180.63 1qvg n LYS 71 N -3.27 1.34 0.00 0.00 3.00 -0.15 -4.96 118.16 114.11 1qvg n LYS 71 Ca 0.01 -0.85 0.00 0.00 -0.00 0.00 0.00 58.31 57.47 1qvg n LYS 71 Cb 0.47 -1.48 0.00 0.00 0.00 0.00 0.00 35.03 34.01 1qvg n LYS 71 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1qvg n GLY 72 N 1.28 0.57 4.02 3.14 0.00 -0.89 -5.05 105.19 108.26 1qvg n GLY 72 Ca 0.15 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.98 1qvg n GLY 72 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1qvg s HIS 73 N -2.00 2.13 -1.46 1.61 3.76 0.12 -4.62 115.29 114.82 1qvg s HIS 73 Ca 0.00 -0.56 -0.10 0.00 -0.15 0.00 0.00 55.06 54.25 1qvg s HIS 73 Cb 0.00 -2.29 0.06 0.00 1.11 0.00 0.00 32.58 31.46 1qvg s HIS 73 CO 0.00 -0.77 0.95 1.04 -0.85 0.00 0.00 174.74 175.11 1qvg n GLN 74 N -2.03 -5.68 -0.60 1.40 6.02 -1.26 -3.73 117.38 111.49 1qvg n GLN 74 Ca 0.11 0.63 0.02 0.00 -0.01 0.00 0.00 57.00 57.76 1qvg n GLN 74 Cb 0.60 -5.47 0.03 0.00 1.02 0.00 0.00 30.24 26.42 1qvg n GLN 74 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1qvg n LYS 75 N -4.63 0.24 -1.10 -1.09 5.02 -1.26 -4.91 118.16 110.42 1qvg n LYS 75 Ca -0.04 -1.47 -0.30 0.00 -2.02 0.00 0.00 58.31 54.49 1qvg n LYS 75 Cb 0.56 -0.60 0.14 0.00 -0.02 0.00 0.00 35.03 35.12 1qvg n LYS 75 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1qvg s GLY 76 N -1.51 1.63 0.58 0.72 0.00 -1.26 -4.73 107.32 102.75 1qvg s GLY 76 Ca 0.11 0.05 0.33 0.00 0.00 0.00 0.00 44.72 45.21 1qvg s GLY 76 CO -0.03 0.53 1.66 0.00 0.00 0.00 0.00 173.10 175.27 1qvg h ALA 77 N -1.61 2.89 -0.01 3.20 0.00 -1.99 1.93 119.26 123.67 1qvg h ALA 77 Ca -0.49 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1qvg h ALA 77 Cb 1.28 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1qvg h ALA 77 CO 0.52 -1.44 -0.03 0.41 0.00 0.00 0.00 179.25 178.71 1qvg n GLY 78 N -1.69 -0.69 0.31 0.00 0.00 -1.26 -3.59 105.19 98.27 1qvg n GLY 78 Ca 0.22 -0.29 0.04 0.00 0.00 0.00 0.00 46.02 45.99 1qvg n GLY 78 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1qvg n SER 79 N -0.64 1.77 -4.81 1.61 7.64 0.65 -4.98 113.62 114.86 1qvg n SER 79 Ca 0.20 -1.42 -0.36 0.00 1.01 0.00 0.00 58.87 58.30 1qvg n SER 79 Cb 0.23 -0.02 -0.07 0.00 -1.01 0.00 0.00 64.21 63.34 1qvg n SER 79 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1qvg s ARG 80 N -0.67 3.66 -0.05 1.43 0.52 -1.14 -4.89 118.95 117.80 1qvg s ARG 80 Ca 0.10 -0.19 0.02 0.00 -0.52 0.00 0.00 55.73 55.14 1qvg s ARG 80 Cb 0.06 -3.23 -0.05 0.00 0.52 0.00 0.00 34.95 32.26 1qvg s ARG 80 CO 0.09 0.60 -0.02 1.17 0.02 0.00 0.00 175.30 177.16 1qvg n LYS 81 N 2.54 1.45 -2.55 3.54 3.00 -1.26 -5.02 118.16 119.86 1qvg n LYS 81 Ca -0.19 0.02 -0.25 0.00 -0.00 0.00 0.00 58.31 57.89 1qvg n LYS 81 Cb 0.54 -1.12 0.03 0.00 0.00 0.00 0.00 35.03 34.48 1qvg n LYS 81 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 1qvg s GLY 82 N -4.15 1.61 1.13 3.14 0.00 -1.26 -5.06 107.32 102.73 1qvg s GLY 82 Ca -0.06 -0.84 -0.12 0.00 0.00 0.00 0.00 44.72 43.70 1qvg s GLY 82 CO 0.16 -0.58 1.05 1.25 0.00 0.00 0.00 173.10 174.98 1qvg s LYS 83 N -4.88 -0.64 0.01 2.90 2.47 -1.26 -4.78 119.74 113.55 1qvg s LYS 83 Ca 0.53 0.94 -0.25 0.00 -1.56 0.00 0.00 55.97 55.63 1qvg s LYS 83 Cb -0.10 -1.58 -0.17 0.00 -1.46 0.00 0.00 37.83 34.52 1qvg s LYS 83 CO 0.43 -3.57 1.24 0.00 0.16 0.00 0.00 175.35 173.61 1qvg h ALA 84 N -2.51 -0.36 0.00 3.13 0.00 -1.97 -2.57 119.26 114.98 1qvg h ALA 84 Ca -0.59 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.14 1qvg h ALA 84 Cb 1.32 0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.25 1qvg h ALA 84 CO 0.49 -0.52 0.01 0.41 0.00 0.00 0.00 179.25 179.64 1qvg n GLY 85 N -0.26 -0.22 0.14 0.00 0.00 -1.26 0.13 105.19 103.72 1qvg n GLY 85 Ca -0.09 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.72 1qvg n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qvg n ALA 86 N -1.21 0.94 0.12 4.61 0.00 -1.03 -3.66 120.51 120.27 1qvg n ALA 86 Ca 0.00 -0.63 -0.03 0.00 0.00 0.00 0.00 53.44 52.79 1qvg n ALA 86 Cb 0.01 -0.65 0.16 0.00 0.00 0.00 0.00 19.45 18.97 1qvg n ALA 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1qvg h ARG 87 N 0.07 0.09 -3.06 0.00 3.08 0.07 -3.42 114.38 111.20 1qvg h ARG 87 Ca -0.43 -0.06 -0.31 0.00 0.07 0.00 0.00 59.98 59.24 1qvg h ARG 87 Cb 2.03 0.01 -0.36 0.00 0.08 0.00 0.00 29.97 31.72 1qvg h ARG 87 CO 0.08 0.66 -0.65 -1.14 -1.07 0.00 0.00 179.97 177.85 1qvg s GLN 88 N -3.70 0.03 -0.47 0.04 0.74 -0.63 -5.11 119.66 110.57 1qvg s GLN 88 Ca -0.02 0.47 -0.28 0.00 0.05 0.00 0.00 55.36 55.58 1qvg s GLN 88 Cb 0.12 -0.47 -0.00 0.00 1.10 0.00 0.00 33.01 33.76 1qvg s GLN 88 CO 0.77 -0.36 1.61 1.21 -0.55 0.00 0.00 175.29 177.97 1qvg s ASN 89 N 2.27 5.94 0.41 6.67 3.84 -1.24 -4.27 114.94 128.56 1qvg s ASN 89 Ca 0.04 0.71 0.20 0.00 0.21 0.00 0.00 52.86 54.02 1qvg s ASN 89 Cb -0.13 -2.54 1.14 0.00 -0.55 0.00 0.00 41.25 39.18 1qvg s ASN 89 CO -0.06 -1.77 1.77 0.77 -2.79 0.00 0.00 177.10 175.01 1qvg h SER 90 N 12.26 0.42 -0.30 -4.21 4.64 -1.94 0.31 113.55 124.72 1qvg h SER 90 Ca -0.29 0.08 -0.10 0.00 -0.47 0.00 0.00 61.79 61.01 1qvg h SER 90 Cb 1.13 0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 63.23 1qvg h SER 90 CO 1.12 0.07 -0.21 0.50 -0.87 0.00 0.00 176.83 177.45 1qvg h LYS 91 N 0.36 0.67 -0.72 4.77 3.11 -1.96 -2.46 116.57 120.34 1qvg h LYS 91 Ca 0.60 -0.32 0.03 0.00 -2.81 0.00 0.00 60.65 58.15 1qvg h LYS 91 Cb 1.57 -0.00 -0.04 0.00 -1.00 0.00 0.00 32.23 32.76 1qvg h LYS 91 CO -0.29 0.92 0.46 1.49 -2.81 0.00 0.00 179.45 179.22 1qvg h GLU 92 N 0.41 0.88 -0.07 1.90 4.81 -1.38 -1.72 114.58 119.42 1qvg h GLU 92 Ca 0.06 -0.05 -0.09 0.00 -0.13 0.00 0.00 59.36 59.15 1qvg h GLU 92 Cb 0.75 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.92 1qvg h GLU 92 CO 0.06 0.58 -0.36 0.22 -0.73 0.00 0.00 179.01 178.77 1qvg h ASP 93 N 0.90 0.13 0.15 1.04 3.58 -1.24 0.15 116.42 121.14 1qvg h ASP 93 Ca 0.29 -0.05 -0.20 0.00 0.42 0.00 0.00 57.03 57.49 1qvg h ASP 93 Cb -0.01 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.01 1qvg h ASP 93 CO -0.10 0.49 -0.77 -0.25 -2.88 0.00 0.00 179.24 175.73 1qvg h TRP 94 N 0.11 0.70 -0.56 0.28 2.91 -0.94 -0.24 115.95 118.22 1qvg h TRP 94 Ca 0.01 -0.32 -0.09 0.00 1.13 0.00 0.00 58.89 59.63 1qvg h TRP 94 Cb 0.70 -0.10 -0.02 0.00 -0.51 0.00 0.00 29.16 29.22 1qvg h TRP 94 CO 0.01 1.11 0.01 0.93 -1.03 0.00 0.00 178.44 179.46 1qvg h GLU 95 N 0.34 0.99 0.62 2.65 5.08 -0.97 0.38 114.58 123.67 1qvg h GLU 95 Ca -0.04 -0.31 -0.02 0.00 -1.00 0.00 0.00 59.36 57.98 1qvg h GLU 95 Cb 1.37 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.52 1qvg h GLU 95 CO 0.14 0.98 -0.40 1.03 -1.00 0.00 0.00 179.01 179.76 1qvg h SER 96 N 0.87 -1.01 0.68 1.42 0.87 -0.79 -2.16 113.55 113.43 1qvg h SER 96 Ca 0.16 0.06 -0.03 0.00 -1.23 0.00 0.00 61.79 60.75 1qvg h SER 96 Cb 0.53 0.30 -0.00 0.00 -0.44 0.00 0.00 62.40 62.78 1qvg h SER 96 CO 0.03 -0.61 -0.40 0.03 -0.53 0.00 0.00 176.83 175.34 1qvg h ARG 97 N -0.97 -0.98 -0.24 2.24 3.08 -0.84 -2.44 114.38 114.24 1qvg h ARG 97 Ca -0.08 0.07 0.07 0.00 0.07 0.00 0.00 59.98 60.11 1qvg h ARG 97 Cb 0.79 0.22 -0.01 0.00 0.08 0.00 0.00 29.97 31.05 1qvg h ARG 97 CO 0.07 -0.65 0.23 0.97 -1.07 0.00 0.00 179.97 179.51 1qvg h ILE 98 N -1.01 0.57 -0.00 2.04 -0.00 -0.28 -1.31 117.51 117.52 1qvg h ILE 98 Ca -0.09 0.00 -0.11 0.00 -0.00 0.00 0.00 64.86 64.66 1qvg h ILE 98 Cb 0.81 0.83 0.01 0.00 -0.00 0.00 0.00 36.82 38.47 1qvg h ILE 98 CO 0.09 0.00 -0.43 0.03 -0.00 0.00 0.00 178.15 177.85 1qvg h ARG 99 N 0.00 0.30 0.11 2.19 3.08 -1.23 -1.62 114.38 117.21 1qvg h ARG 99 Ca 0.11 -0.31 0.02 0.00 0.07 0.00 0.00 59.98 59.87 1qvg h ARG 99 Cb 0.56 0.09 -0.04 0.00 0.08 0.00 0.00 29.97 30.66 1qvg h ARG 99 CO -0.00 1.01 -0.39 0.00 -1.07 0.00 0.00 179.97 179.52 1qvg h ALA 100 N 0.29 -0.68 -0.72 0.04 0.00 -0.79 0.17 119.26 117.57 1qvg h ALA 100 Ca -0.05 -0.06 0.12 0.00 0.00 0.00 0.00 54.91 54.91 1qvg h ALA 100 Cb 1.16 0.65 -0.05 0.00 0.00 0.00 0.00 17.79 19.55 1qvg h ALA 100 CO 0.08 -0.95 0.48 1.96 0.00 0.00 0.00 179.25 180.83 1qvg h GLN 101 N -0.62 0.50 0.00 0.00 4.20 -1.35 0.02 115.11 117.86 1qvg h GLN 101 Ca 0.03 -0.03 -0.14 0.00 0.06 0.00 0.00 58.65 58.57 1qvg h GLN 101 Cb 0.65 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.30 1qvg h GLN 101 CO -0.23 0.33 -0.66 0.00 -0.67 0.00 0.00 178.83 177.60 1qvg h ARG 102 N 0.51 0.00 -0.06 1.46 3.08 -0.32 -2.52 114.38 116.53 1qvg h ARG 102 Ca 0.34 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.33 1qvg h ARG 102 Cb 0.64 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.69 1qvg h ARG 102 CO -0.12 0.66 -0.19 1.15 -1.07 0.00 0.00 179.97 180.40 1qvg h THR 103 N 0.00 1.44 0.01 2.04 2.02 0.67 -2.48 112.91 116.61 1qvg h THR 103 Ca -0.01 -1.59 0.01 0.00 0.77 0.00 0.00 66.41 65.60 1qvg h THR 103 Cb 1.34 2.32 -0.04 0.00 -1.74 0.00 0.00 68.15 70.03 1qvg h THR 103 CO 0.09 0.45 -0.36 0.50 0.37 0.00 0.00 175.52 176.56 1qvg h LYS 104 N -0.28 -0.44 -0.94 6.66 1.63 -1.04 -0.44 116.57 121.72 1qvg h LYS 104 Ca -0.01 0.03 0.23 0.00 -0.85 0.00 0.00 60.65 60.06 1qvg h LYS 104 Cb 0.82 0.10 -0.06 0.00 -0.60 0.00 0.00 32.23 32.49 1qvg h LYS 104 CO 0.04 -0.30 0.63 -0.07 -3.45 0.00 0.00 179.45 176.31 1qvg h LEU 105 N -0.46 0.31 -0.73 5.20 3.38 -1.54 -0.07 115.31 121.40 1qvg h LEU 105 Ca 0.01 0.04 -0.07 0.00 0.09 0.00 0.00 57.88 57.95 1qvg h LEU 105 Cb 0.49 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 1qvg h LEU 105 CO -0.23 0.11 0.20 -0.09 0.09 0.00 0.00 178.44 178.51 1qvg h ARG 106 N 0.30 1.15 0.38 1.13 2.43 -0.63 -2.71 114.38 116.43 1qvg h ARG 106 Ca 0.49 -0.26 -0.02 0.00 -0.81 0.00 0.00 59.98 59.37 1qvg h ARG 106 Cb 1.39 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.79 1qvg h ARG 106 CO -0.16 0.99 -0.18 0.93 -1.51 0.00 0.00 179.97 180.05 1qvg h GLU 107 N 1.09 -0.49 -1.15 0.20 5.08 0.06 -2.96 114.58 116.41 1qvg h GLU 107 Ca 0.23 0.03 0.33 0.00 -1.00 0.00 0.00 59.36 58.95 1qvg h GLU 107 Cb 0.35 0.11 -0.06 0.00 0.50 0.00 0.00 28.75 29.65 1qvg h GLU 107 CO -0.00 -0.18 0.81 -0.07 -1.00 0.00 0.00 179.01 178.57 1qvg h LEU 108 N -0.95 0.08 0.19 1.33 3.38 -1.47 0.67 115.31 118.55 1qvg h LEU 108 Ca -0.05 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1qvg h LEU 108 Cb 0.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1qvg h LEU 108 CO 0.09 0.01 -0.09 -0.09 0.09 0.00 0.00 178.44 178.44 1qvg h ARG 109 N 0.07 -0.25 0.00 1.13 2.43 -1.44 -1.65 114.38 114.67 1qvg h ARG 109 Ca 0.57 0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.73 1qvg h ARG 109 Cb 2.11 0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 31.71 1qvg h ARG 109 CO -0.06 0.15 -0.13 -0.44 -1.51 0.00 0.00 179.97 177.98 1qvg h ASP 110 N -0.83 0.00 1.15 -3.80 3.32 -0.86 0.95 116.42 116.35 1qvg h ASP 110 Ca -0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.02 1qvg h ASP 110 Cb 0.52 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.07 1qvg h ASP 110 CO 0.04 0.13 0.00 -0.08 -1.72 0.00 0.00 179.24 177.61 1qvg h GLU 111 N 0.00 0.00 0.00 3.56 4.81 0.31 -3.47 114.58 119.79 1qvg h GLU 111 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1qvg h GLU 111 Cb 0.23 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.61 1qvg h GLU 111 CO 0.02 0.00 0.00 0.41 -0.73 0.00 0.00 179.01 178.71 1qvg n GLY 112 N 0.24 3.13 0.41 1.92 0.00 0.33 -4.91 105.19 106.30 1qvg n GLY 112 Ca 0.01 0.00 0.22 0.00 0.00 0.00 0.00 46.02 46.25 1qvg n GLY 112 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1qvg h THR 113 N 0.00 0.33 -3.50 2.61 2.02 -1.55 -3.40 112.91 109.43 1qvg h THR 113 Ca 0.00 0.00 -0.58 0.00 0.77 0.00 0.00 66.41 66.60 1qvg h THR 113 Cb 0.00 0.57 -0.33 0.00 -1.74 0.00 0.00 68.15 66.66 1qvg h THR 113 CO 0.00 0.00 -0.84 -0.76 0.37 0.00 0.00 175.52 174.29 1qvg s LEU 114 N -7.34 1.84 0.39 2.58 1.43 -0.83 -4.99 118.68 111.76 1qvg s LEU 114 Ca -0.04 -0.40 -0.23 0.00 -1.03 0.00 0.00 54.13 52.44 1qvg s LEU 114 Cb 0.15 -1.05 -0.11 0.00 0.03 0.00 0.00 46.19 45.22 1qvg s LEU 114 CO 0.54 0.10 0.95 -0.94 0.23 0.00 0.00 176.35 177.23 1qvg s SER 115 N 0.43 7.07 0.00 2.29 1.04 -1.26 -4.49 113.70 118.77 1qvg s SER 115 Ca -0.14 1.74 0.00 0.00 0.48 0.00 0.00 55.95 58.04 1qvg s SER 115 Cb -0.16 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.41 1qvg s SER 115 CO 0.05 -0.26 0.15 -1.54 0.98 0.00 0.00 173.24 172.62 1qvg n SER 116 N -0.23 0.00 -0.07 7.02 3.41 -1.26 -0.33 113.62 122.16 1qvg n SER 116 Ca 0.05 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.59 1qvg n SER 116 Cb 0.53 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.39 1qvg n SER 116 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1qvg n SER 117 N -0.61 2.34 -0.02 4.04 3.41 -1.26 -3.64 113.62 117.87 1qvg n SER 117 Ca 0.00 -0.03 -0.15 0.00 -0.26 0.00 0.00 58.87 58.43 1qvg n SER 117 Cb 0.00 0.41 -0.11 0.00 -0.26 0.00 0.00 64.21 64.25 1qvg n SER 117 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 1qvg h GLN 118 N 0.00 0.24 0.00 4.33 4.20 -1.04 -2.43 115.11 120.41 1qvg h GLN 118 Ca -0.33 -0.23 0.03 0.00 0.06 0.00 0.00 58.65 58.18 1qvg h GLN 118 Cb 1.66 0.06 -0.06 0.00 0.30 0.00 0.00 27.48 29.44 1qvg h GLN 118 CO -0.01 0.92 -0.43 -0.92 -0.67 0.00 0.00 178.83 177.72 1qvg h TYR 119 N -0.35 -1.22 -0.57 2.96 3.20 -1.33 -0.61 116.97 119.05 1qvg h TYR 119 Ca -0.03 0.04 0.10 0.00 3.14 0.00 0.00 58.73 61.98 1qvg h TYR 119 Cb 1.01 0.54 -0.11 0.00 1.54 0.00 0.00 36.73 39.70 1qvg h TYR 119 CO 0.16 -0.50 -0.33 -0.09 -1.64 0.00 0.00 178.16 175.76 1qvg h ARG 120 N -0.59 -0.16 -0.25 1.82 9.65 -1.62 0.26 114.38 123.50 1qvg h ARG 120 Ca 0.04 0.01 0.06 0.00 -1.10 0.00 0.00 59.98 59.00 1qvg h ARG 120 Cb 0.66 0.04 -0.07 0.00 -1.39 0.00 0.00 29.97 29.21 1qvg h ARG 120 CO -0.32 -0.11 -0.21 0.22 2.80 0.00 0.00 179.97 182.35 1qvg h ASP 121 N -0.16 -0.69 -0.51 -3.80 1.82 -0.82 -1.50 116.42 110.76 1qvg h ASP 121 Ca 0.23 0.13 -0.07 0.00 -0.39 0.00 0.00 57.03 56.93 1qvg h ASP 121 Cb 0.55 0.33 -0.02 0.00 0.68 0.00 0.00 39.33 40.87 1qvg h ASP 121 CO -0.66 -0.25 0.06 -0.07 -1.61 0.00 0.00 179.24 176.71 1qvg h LEU 122 N -0.21 0.83 0.34 2.28 3.38 0.16 -2.28 115.31 119.81 1qvg h LEU 122 Ca 0.14 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 1qvg h LEU 122 Cb 0.42 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 1qvg h LEU 122 CO -0.37 0.90 -0.44 0.22 0.09 0.00 0.00 178.44 178.84 1qvg h TYR 123 N 0.74 -1.23 -0.75 1.13 3.20 -0.22 0.16 116.97 119.99 1qvg h TYR 123 Ca 0.15 0.02 0.22 0.00 3.14 0.00 0.00 58.73 62.26 1qvg h TYR 123 Cb 0.43 0.49 -0.03 0.00 1.54 0.00 0.00 36.73 39.16 1qvg h TYR 123 CO 0.03 -0.56 0.57 -0.44 -1.64 0.00 0.00 178.16 176.13 1qvg h ASP 124 N -0.80 0.00 0.51 -2.11 5.19 -1.24 0.21 116.42 118.18 1qvg h ASP 124 Ca -0.04 0.00 -0.26 0.00 -0.62 0.00 0.00 57.03 56.11 1qvg h ASP 124 Cb 0.72 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.23 1qvg h ASP 124 CO -0.11 0.00 -1.17 0.11 -3.12 0.00 0.00 179.24 174.96 1qvg h LYS 125 N 0.00 0.34 -0.00 3.56 1.57 -0.72 -3.01 116.57 118.31 1qvg h LYS 125 Ca 0.36 -0.50 -0.00 0.00 -1.87 0.00 0.00 60.65 58.64 1qvg h LYS 125 Cb 1.50 0.17 -0.00 0.00 0.08 0.00 0.00 32.23 33.98 1qvg h LYS 125 CO -0.00 1.20 0.00 0.00 -0.57 0.00 0.00 179.45 180.08 1qvg h ALA 126 N 0.60 0.00 0.00 3.86 0.00 0.22 -1.63 119.26 122.31 1qvg h ALA 126 Ca -0.13 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1qvg h ALA 126 Cb 1.86 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.65 1qvg h ALA 126 CO 0.20 -0.35 0.08 0.78 0.00 0.00 0.00 179.25 179.96 1qvg h GLY 127 N -0.28 0.00 -2.30 0.00 0.00 -1.13 1.20 103.07 100.55 1qvg h GLY 127 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1qvg h GLY 127 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 1qvg n GLY 128 N -1.28 1.87 3.04 4.60 0.00 -0.75 -4.95 105.19 107.72 1qvg n GLY 128 Ca -0.01 -0.71 -0.17 0.00 0.00 0.00 0.00 46.02 45.13 1qvg n GLY 128 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qvg n GLY 129 N 1.52 -0.19 0.13 -0.02 0.00 0.41 -4.95 105.19 102.10 1qvg n GLY 129 Ca 0.21 0.02 0.12 0.00 0.00 0.00 0.00 46.02 46.37 1qvg n GLY 129 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1qvg h GLU 130 N -1.91 0.00 -5.09 1.61 4.39 -1.43 -3.45 114.58 108.70 1qvg h GLU 130 Ca -0.44 0.00 -0.67 0.00 0.34 0.00 0.00 59.36 58.59 1qvg h GLU 130 Cb 1.28 0.00 -0.31 0.00 -0.10 0.00 0.00 28.75 29.61 1qvg h GLU 130 CO 0.42 0.00 -0.80 -0.06 -1.16 0.00 0.00 179.01 177.40 1qvg s PHE 131 N -3.27 2.83 0.41 4.33 0.40 -1.26 -4.99 117.98 116.42 1qvg s PHE 131 Ca 0.04 -1.23 0.09 0.00 -0.60 0.00 0.00 56.93 55.23 1qvg s PHE 131 Cb 0.09 -1.96 0.85 0.00 0.51 0.00 0.00 43.02 42.52 1qvg s PHE 131 CO 0.73 -0.61 1.98 -0.44 0.70 0.00 0.00 175.22 177.57 1qvg h ASP 132 N 7.74 0.27 -2.69 1.36 3.32 -1.93 -3.47 116.42 121.03 1qvg h ASP 132 Ca -0.40 -0.04 0.01 0.00 0.02 0.00 0.00 57.03 56.63 1qvg h ASP 132 Cb 1.16 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.65 1qvg h ASP 132 CO 0.60 0.33 0.31 -1.54 -1.72 0.00 0.00 179.24 177.23 1qvg n SER 133 N -4.36 -1.96 -0.13 6.45 3.41 -1.26 -4.99 113.62 110.78 1qvg n SER 133 Ca -0.00 -2.30 -0.10 0.00 -0.26 0.00 0.00 58.87 56.21 1qvg n SER 133 Cb 0.19 3.25 -0.02 0.00 -0.26 0.00 0.00 64.21 67.38 1qvg n SER 133 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1qvg h VAL 134 N 1.89 1.25 -0.53 -3.33 2.07 -1.91 -2.19 116.25 113.50 1qvg h VAL 134 Ca -0.29 -0.92 0.10 0.00 0.82 0.00 0.00 66.70 66.41 1qvg h VAL 134 Cb 1.11 1.11 -0.09 0.00 -1.52 0.00 0.00 31.29 31.90 1qvg h VAL 134 CO 0.37 0.31 0.02 0.00 0.02 0.00 0.00 177.57 178.29 1qvg h ALA 135 N 0.89 0.53 -0.73 1.67 0.00 -2.00 -0.08 119.26 119.54 1qvg h ALA 135 Ca 0.11 0.15 0.02 0.00 0.00 0.00 0.00 54.91 55.20 1qvg h ALA 135 Cb 0.42 0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.42 1qvg h ALA 135 CO 0.01 -0.38 0.47 0.22 0.00 0.00 0.00 179.25 179.58 1qvg h ASP 136 N 0.13 0.79 0.89 0.00 3.58 -1.90 -0.71 116.42 119.20 1qvg h ASP 136 Ca 0.27 -0.01 -0.04 0.00 0.42 0.00 0.00 57.03 57.67 1qvg h ASP 136 Cb 0.42 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 41.29 1qvg h ASP 136 CO -0.44 0.55 -0.47 0.25 -2.88 0.00 0.00 179.24 176.25 1qvg h LEU 137 N 0.93 -1.16 -0.51 2.28 5.85 -0.44 -0.74 115.31 121.53 1qvg h LEU 137 Ca 0.29 0.05 0.10 0.00 0.84 0.00 0.00 57.88 59.15 1qvg h LEU 137 Cb -0.02 0.32 -0.10 0.00 0.37 0.00 0.00 40.66 41.22 1qvg h LEU 137 CO -0.10 -0.77 -0.29 -0.33 -0.34 0.00 0.00 178.44 176.61 1qvg h GLU 138 N -1.26 -0.16 -0.71 1.25 5.08 -0.93 0.33 114.58 118.17 1qvg h GLU 138 Ca -0.12 0.01 0.16 0.00 -1.00 0.00 0.00 59.36 58.41 1qvg h GLU 138 Cb 0.98 0.04 -0.12 0.00 0.50 0.00 0.00 28.75 30.15 1qvg h GLU 138 CO 0.17 -0.11 0.07 0.00 -1.00 0.00 0.00 179.01 178.14 1qvg h ARG 139 N -0.17 0.16 -0.50 2.33 3.08 -0.83 0.89 114.38 119.35 1qvg h ARG 139 Ca 0.22 -0.01 -0.09 0.00 0.07 0.00 0.00 59.98 60.17 1qvg h ARG 139 Cb 0.52 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.52 1qvg h ARG 139 CO -0.60 0.11 -0.04 -0.92 -1.07 0.00 0.00 179.97 177.45 1qvg h TYR 140 N 0.17 0.93 -0.85 3.04 3.20 0.74 -2.86 116.97 121.35 1qvg h TYR 140 Ca 0.39 -0.15 0.12 0.00 3.14 0.00 0.00 58.73 62.23 1qvg h TYR 140 Cb 0.68 -0.25 -0.08 0.00 1.54 0.00 0.00 36.73 38.62 1qvg h TYR 140 CO -0.34 0.87 0.47 0.82 -1.64 0.00 0.00 178.16 178.33 1qvg h ILE 141 N 0.79 0.83 0.00 1.81 2.04 0.20 -2.44 117.51 120.75 1qvg h ILE 141 Ca 0.14 -0.25 -0.05 0.00 1.00 0.00 0.00 64.86 65.70 1qvg h ILE 141 Cb 0.53 0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 36.63 1qvg h ILE 141 CO 0.03 0.13 -0.06 0.47 0.00 0.00 0.00 178.15 178.72 1qvg n ASP 142 N -4.79 4.07 0.00 1.72 8.00 -0.84 -5.10 116.55 119.61 1qvg n ASP 142 Ca 0.15 -2.14 0.00 0.00 0.71 0.00 0.00 54.79 53.51 1qvg n ASP 142 Cb 0.35 -0.94 0.00 0.00 -0.02 0.00 0.00 41.12 40.51 1qvg n ASP 142 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81