#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qvg n LYS 2 N 0.00 0.44 -2.65 4.33 2.85 -1.26 -4.79 118.16 117.09 1qvg n LYS 2 Ca 0.00 -0.36 -0.43 0.00 -1.05 0.00 0.00 58.31 56.47 1qvg n LYS 2 Cb 0.00 -1.49 -0.02 0.00 -0.65 0.00 0.00 35.03 32.87 1qvg n LYS 2 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 177.40 176.70 1qvg s GLN 3 N -2.81 4.31 0.23 -1.58 -0.21 -1.26 -4.97 119.66 113.37 1qvg s GLN 3 Ca 0.12 1.40 -0.10 0.00 0.02 0.00 0.00 55.36 56.79 1qvg s GLN 3 Cb 0.17 -3.62 0.34 0.00 1.00 0.00 0.00 33.01 30.90 1qvg s GLN 3 CO 0.75 -0.54 1.62 -1.35 -2.12 0.00 0.00 175.29 173.65 1qvg h PRO 4 N 7.40 0.03 -0.38 2.91 0.11 -1.99 -1.83 132.00 138.24 1qvg h PRO 4 Ca -0.23 -0.00 0.08 0.00 0.11 0.00 0.00 66.00 65.96 1qvg h PRO 4 Cb 1.09 -0.01 -0.08 0.00 0.11 0.00 0.00 31.00 32.12 1qvg h PRO 4 CO 0.94 0.02 -0.14 -0.44 -0.21 0.00 0.00 178.00 178.18 1qvg h ASP 5 N 0.03 -0.48 -0.54 -2.05 5.19 -1.99 -1.19 116.42 115.39 1qvg h ASP 5 Ca 0.37 0.13 -0.06 0.00 -0.62 0.00 0.00 57.03 56.85 1qvg h ASP 5 Cb 0.60 0.28 -0.02 0.00 0.18 0.00 0.00 39.33 40.37 1qvg h ASP 5 CO -0.72 -0.17 0.10 0.11 -3.12 0.00 0.00 179.24 175.43 1qvg h LYS 6 N -0.06 0.88 0.20 3.56 1.57 -1.78 -0.73 116.57 120.22 1qvg h LYS 6 Ca 0.19 -0.23 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1qvg h LYS 6 Cb 0.34 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.51 1qvg h LYS 6 CO -0.42 0.85 -0.42 1.96 -0.57 0.00 0.00 179.45 180.85 1qvg h GLN 7 N 0.77 -0.65 -0.87 3.15 1.08 -0.69 -0.59 115.11 117.30 1qvg h GLN 7 Ca 0.16 0.04 0.10 0.00 -1.45 0.00 0.00 58.65 57.51 1qvg h GLN 7 Cb 0.39 0.15 -0.08 0.00 -0.05 0.00 0.00 27.48 27.89 1qvg h GLN 7 CO 0.01 -0.43 0.51 0.00 -0.95 0.00 0.00 178.83 177.97 1qvg h ARG 8 N -0.68 0.82 0.52 1.46 3.08 -1.22 -2.33 114.38 116.04 1qvg h ARG 8 Ca -0.02 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 59.96 1qvg h ARG 8 Cb 0.64 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.50 1qvg h ARG 8 CO -0.17 0.54 -0.39 -0.22 -1.07 0.00 0.00 179.97 178.66 1qvg h LYS 9 N 0.84 -0.84 -0.99 0.04 3.64 -0.66 -1.76 116.57 116.84 1qvg h LYS 9 Ca 0.43 0.06 0.23 0.00 -1.27 0.00 0.00 60.65 60.09 1qvg h LYS 9 Cb 0.41 0.19 -0.12 0.00 -0.41 0.00 0.00 32.23 32.30 1qvg h LYS 9 CO -0.26 -0.56 0.58 0.66 -2.27 0.00 0.00 179.45 177.60 1qvg h SER 10 N -0.87 0.67 -0.52 4.20 4.64 -0.92 0.86 113.55 121.60 1qvg h SER 10 Ca -0.07 0.13 -0.08 0.00 -0.47 0.00 0.00 61.79 61.30 1qvg h SER 10 Cb 0.72 0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 62.81 1qvg h SER 10 CO 0.02 0.14 0.04 1.56 -0.87 0.00 0.00 176.83 177.73 1qvg h GLN 11 N 0.61 0.94 0.00 4.77 4.20 -1.19 -1.55 115.11 122.89 1qvg h GLN 11 Ca 0.62 -0.26 -0.06 0.00 0.06 0.00 0.00 58.65 59.01 1qvg h GLN 11 Cb 1.12 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.78 1qvg h GLN 11 CO -0.46 0.91 -0.43 0.00 -0.67 0.00 0.00 178.83 178.18 1qvg h ARG 12 N 0.88 0.00 -0.35 1.46 3.08 -0.02 -3.31 114.38 116.13 1qvg h ARG 12 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.22 1qvg h ARG 12 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.51 1qvg h ARG 12 CO 0.02 0.24 0.00 0.54 -1.07 0.00 0.00 179.97 179.70 1qvg n ARG 13 N -3.09 2.63 -1.82 0.04 1.74 -0.02 -4.99 116.66 111.15 1qvg n ARG 13 Ca 0.02 -2.02 -0.42 0.00 -0.77 0.00 0.00 57.85 54.66 1qvg n ARG 13 Cb 0.65 -1.29 -0.03 0.00 -1.02 0.00 0.00 32.46 30.76 1qvg n ARG 13 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1qvg s ALA 14 N -1.00 3.84 0.90 7.54 0.00 -0.59 -4.94 121.76 127.50 1qvg s ALA 14 Ca 0.24 1.46 -0.13 0.00 0.00 0.00 0.00 51.96 53.54 1qvg s ALA 14 Cb 0.13 -3.68 0.06 0.00 0.00 0.00 0.00 23.12 19.63 1qvg s ALA 14 CO 0.17 -0.92 0.68 -2.30 0.00 0.00 0.00 175.76 173.39 1qvg n PRO 15 N 4.33 -0.20 -0.36 0.00 -0.02 -1.26 -4.68 135.00 132.82 1qvg n PRO 15 Ca 0.15 -0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.53 1qvg n PRO 15 Cb 0.37 -2.04 -0.07 0.00 -0.02 0.00 0.00 33.50 31.74 1qvg n PRO 15 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1qvg h LEU 16 N -1.41 -1.97 -2.01 2.45 3.38 -1.95 0.47 115.31 114.27 1qvg h LEU 16 Ca -0.44 0.31 0.09 0.00 0.09 0.00 0.00 57.88 57.93 1qvg h LEU 16 Cb 1.29 0.88 -0.01 0.00 0.09 0.00 0.00 40.66 42.91 1qvg h LEU 16 CO 0.38 -0.27 0.22 1.12 0.09 0.00 0.00 178.44 179.98 1qvg h HIS 17 N -0.07 0.00 -0.09 1.13 2.07 -2.00 0.19 115.15 116.39 1qvg h HIS 17 Ca 0.18 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.70 1qvg h HIS 17 Cb 0.47 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.45 1qvg h HIS 17 CO -0.94 0.00 0.00 0.39 -3.07 0.00 0.00 177.93 174.31 1qvg n GLU 18 N -4.42 1.25 0.02 5.12 1.02 0.14 -3.35 120.64 120.43 1qvg n GLU 18 Ca 0.04 -0.39 0.11 0.00 -0.02 0.00 0.00 57.16 56.90 1qvg n GLU 18 Cb 0.38 -1.20 -0.08 0.00 -0.02 0.00 0.00 31.44 30.52 1qvg n GLU 18 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1qvg n ARG 19 N -0.29 0.44 -0.16 3.49 1.74 0.67 -4.19 116.66 118.36 1qvg n ARG 19 Ca 0.09 -0.07 -0.02 0.00 -0.77 0.00 0.00 57.85 57.08 1qvg n ARG 19 Cb 0.12 -1.58 0.07 0.00 -1.02 0.00 0.00 32.46 30.05 1qvg n ARG 19 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1qvg h HIS 20 N 0.00 0.03 0.00 -1.55 3.86 -1.63 0.30 115.15 116.16 1qvg h HIS 20 Ca 0.00 0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.25 1qvg h HIS 20 Cb 0.84 0.06 0.00 0.00 1.06 0.00 0.00 27.41 29.37 1qvg h HIS 20 CO 0.00 -0.08 0.01 0.36 0.86 0.00 0.00 177.93 179.07 1qvg n LYS 21 N -5.20 0.08 0.01 2.45 2.85 -1.26 -0.88 118.16 116.22 1qvg n LYS 21 Ca 0.06 0.58 0.12 0.00 -1.05 0.00 0.00 58.31 58.02 1qvg n LYS 21 Cb 0.27 -1.77 0.25 0.00 -0.65 0.00 0.00 35.03 33.13 1qvg n LYS 21 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 1qvg n GLN 22 N -1.93 0.07 -0.82 -1.58 6.02 0.11 -3.81 117.38 115.43 1qvg n GLN 22 Ca -0.01 0.02 -0.05 0.00 -0.01 0.00 0.00 57.00 56.95 1qvg n GLN 22 Cb 0.03 -1.54 0.20 0.00 1.02 0.00 0.00 30.24 29.94 1qvg n GLN 22 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 1qvg n VAL 23 N -1.65 2.57 -2.98 5.09 0.24 -0.06 -4.80 118.33 116.75 1qvg n VAL 23 Ca 0.05 -2.76 -0.32 0.00 -2.04 0.00 0.00 64.34 59.28 1qvg n VAL 23 Cb 0.36 -0.32 -0.05 0.00 -1.47 0.00 0.00 33.84 32.35 1qvg n VAL 23 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1qvg s ARG 24 N -3.26 3.98 0.05 7.34 0.52 -1.25 -2.62 118.95 123.71 1qvg s ARG 24 Ca 0.45 0.70 0.01 0.00 -0.52 0.00 0.00 55.73 56.37 1qvg s ARG 24 Cb 0.41 -2.37 -0.03 0.00 0.52 0.00 0.00 34.95 33.48 1qvg s ARG 24 CO -0.00 0.06 -0.06 0.00 0.02 0.00 0.00 175.30 175.32 1qvg s ALA 25 N -2.15 0.50 0.49 2.13 0.00 0.71 -4.15 121.76 119.30 1qvg s ALA 25 Ca 0.55 -0.87 -0.22 0.00 0.00 0.00 0.00 51.96 51.42 1qvg s ALA 25 Cb -0.10 0.12 -0.07 0.00 0.00 0.00 0.00 23.12 23.08 1qvg s ALA 25 CO 0.21 -0.14 1.18 -0.08 0.00 0.00 0.00 175.76 176.92 1qvg s THR 26 N -2.11 3.00 0.02 0.00 -1.32 -1.24 -0.52 115.64 113.47 1qvg s THR 26 Ca -0.06 0.71 -0.05 0.00 -1.21 0.00 0.00 61.69 61.08 1qvg s THR 26 Cb -0.05 -3.34 -0.05 0.00 -1.51 0.00 0.00 72.50 67.55 1qvg s THR 26 CO -0.02 -0.05 0.26 -0.76 -2.21 0.00 0.00 174.62 171.84 1qvg s LEU 27 N -3.31 4.36 0.92 9.08 1.43 -0.01 -1.55 118.68 129.60 1qvg s LEU 27 Ca 0.67 0.50 -0.11 0.00 -1.03 0.00 0.00 54.13 54.16 1qvg s LEU 27 Cb -0.29 -2.74 0.09 0.00 0.03 0.00 0.00 46.19 43.28 1qvg s LEU 27 CO 0.34 0.23 0.82 -1.54 0.23 0.00 0.00 176.35 176.43 1qvg n SER 28 N 0.92 -0.71 -0.19 2.29 3.41 -0.87 -4.60 113.62 113.87 1qvg n SER 28 Ca -0.10 0.39 -0.02 0.00 -0.26 0.00 0.00 58.87 58.88 1qvg n SER 28 Cb 0.53 -1.36 0.08 0.00 -0.26 0.00 0.00 64.21 63.20 1qvg n SER 28 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1qvg h ALA 29 N -1.68 0.74 -0.16 7.33 0.00 -1.98 -0.94 119.26 122.57 1qvg h ALA 29 Ca -0.43 0.04 0.05 0.00 0.00 0.00 0.00 54.91 54.57 1qvg h ALA 29 Cb 1.28 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.98 1qvg h ALA 29 CO 0.38 -0.11 -0.19 -0.44 0.00 0.00 0.00 179.25 178.89 1qvg h ASP 30 N 0.50 -0.61 -0.45 0.00 3.32 -1.99 -1.85 116.42 115.34 1qvg h ASP 30 Ca 0.27 0.11 -0.09 0.00 0.02 0.00 0.00 57.03 57.34 1qvg h ASP 30 Cb 0.23 0.29 -0.02 0.00 0.22 0.00 0.00 39.33 40.05 1qvg h ASP 30 CO -0.21 -0.24 -0.03 -0.07 -1.72 0.00 0.00 179.24 176.96 1qvg h LEU 31 N -0.23 0.86 -0.92 1.55 3.38 -1.80 -0.58 115.31 117.58 1qvg h LEU 31 Ca 0.11 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1qvg h LEU 31 Cb 0.39 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.87 1qvg h LEU 31 CO -0.30 0.95 0.59 0.03 0.09 0.00 0.00 178.44 179.80 1qvg h ARG 32 N 0.81 1.22 -0.04 1.13 3.08 -0.92 0.11 114.38 119.78 1qvg h ARG 32 Ca 0.15 -0.08 -0.00 0.00 0.07 0.00 0.00 59.98 60.11 1qvg h ARG 32 Cb 0.53 -0.27 -0.00 0.00 0.08 0.00 0.00 29.97 30.31 1qvg h ARG 32 CO 0.03 0.82 0.02 1.49 -1.07 0.00 0.00 179.97 181.26 1qvg h GLU 33 N 1.25 0.05 -0.57 0.04 4.57 -0.98 0.30 114.58 119.25 1qvg h GLU 33 Ca 0.33 -0.01 -0.06 0.00 -1.18 0.00 0.00 59.36 58.45 1qvg h GLU 33 Cb -0.12 -0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 28.44 1qvg h GLU 33 CO -0.07 0.12 0.12 1.49 -1.18 0.00 0.00 179.01 179.49 1qvg h GLU 34 N -0.03 0.88 -0.01 1.92 4.81 -0.31 -3.32 114.58 118.54 1qvg h GLU 34 Ca 0.01 -0.19 0.00 0.00 -0.13 0.00 0.00 59.36 59.05 1qvg h GLU 34 Cb 0.08 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.33 1qvg h GLU 34 CO -0.00 0.80 -0.14 0.66 -0.73 0.00 0.00 179.01 179.60 1qvg n TYR 35 N -4.26 0.00 -3.24 0.92 4.02 0.31 -5.02 117.16 109.90 1qvg n TYR 35 Ca 0.04 0.00 -0.16 0.00 -0.01 0.00 0.00 57.90 57.77 1qvg n TYR 35 Cb 0.24 0.00 0.06 0.00 -0.02 0.00 0.00 39.34 39.62 1qvg n TYR 35 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1qvg n GLY 36 N 0.75 -0.12 3.04 2.72 0.00 0.11 -4.78 105.19 106.90 1qvg n GLY 36 Ca 0.03 -0.02 -0.08 0.00 0.00 0.00 0.00 46.02 45.95 1qvg n GLY 36 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1qvg s GLN 37 N -5.76 0.46 0.06 1.61 -0.21 -1.21 -5.06 119.66 109.56 1qvg s GLN 37 Ca 0.34 -0.90 0.20 0.00 0.02 0.00 0.00 55.36 55.02 1qvg s GLN 37 Cb -0.15 0.16 -0.15 0.00 1.00 0.00 0.00 33.01 33.87 1qvg s GLN 37 CO 0.52 -0.08 0.75 -2.13 -2.12 0.00 0.00 175.29 172.23 1qvg n ARG 38 N 0.88 0.63 -3.90 2.91 0.63 -1.26 -4.22 116.66 112.32 1qvg n ARG 38 Ca -0.19 0.07 -0.10 0.00 -0.92 0.00 0.00 57.85 56.71 1qvg n ARG 38 Cb 0.58 -1.72 -0.01 0.00 0.45 0.00 0.00 32.46 31.76 1qvg n ARG 38 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1qvg s ASN 39 N -5.33 0.13 0.17 6.15 6.03 -1.26 -0.83 114.94 120.00 1qvg s ASN 39 Ca -0.04 -1.08 -0.10 0.00 -1.03 0.00 0.00 52.86 50.61 1qvg s ASN 39 Cb 0.10 0.75 -0.00 0.00 -3.03 0.00 0.00 41.25 39.07 1qvg s ASN 39 CO 0.83 -1.46 0.32 0.54 -2.03 0.00 0.00 177.10 175.29 1qvg s VAL 40 N -3.03 0.06 -0.75 3.54 0.11 0.32 -4.81 120.40 115.84 1qvg s VAL 40 Ca 0.19 -1.34 -0.26 0.00 -2.93 0.00 0.00 61.98 57.65 1qvg s VAL 40 Cb -0.04 -1.85 0.04 0.00 -1.53 0.00 0.00 36.38 33.01 1qvg s VAL 40 CO 0.12 -0.25 1.22 -0.60 -3.33 0.00 0.00 175.10 172.25 1qvg s ARG 41 N -3.96 3.21 0.08 1.54 3.52 -1.18 -0.21 118.95 121.95 1qvg s ARG 41 Ca 0.17 -0.47 -0.37 0.00 -0.13 0.00 0.00 55.73 54.94 1qvg s ARG 41 Cb 0.03 -4.29 -0.18 0.00 -1.56 0.00 0.00 34.95 28.94 1qvg s ARG 41 CO 0.00 -2.07 1.10 0.28 -0.81 0.00 0.00 175.30 173.80 1qvg n VAL 42 N 6.30 0.37 -4.33 7.11 0.31 -1.08 -4.97 118.33 122.05 1qvg n VAL 42 Ca 0.04 -0.09 -0.25 0.00 -0.01 0.00 0.00 64.34 64.03 1qvg n VAL 42 Cb 0.48 -0.37 -0.08 0.00 -0.91 0.00 0.00 33.84 32.96 1qvg n VAL 42 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 1qvg s ASN 43 N 0.02 4.20 0.00 4.52 0.01 -1.26 -4.98 114.94 117.45 1qvg s ASN 43 Ca 0.83 -1.01 0.00 0.00 -0.71 0.00 0.00 52.86 51.98 1qvg s ASN 43 Cb -1.07 -0.53 0.00 0.00 0.41 0.00 0.00 41.25 40.06 1qvg s ASN 43 CO 0.53 -0.27 0.37 0.00 -1.51 0.00 0.00 177.10 176.22 1qvg n ALA 44 N -0.98 1.88 -0.02 0.60 0.00 -1.26 -2.63 120.51 118.10 1qvg n ALA 44 Ca -0.04 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.38 1qvg n ALA 44 Cb 0.63 -1.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.05 1qvg n ALA 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qvg n GLY 45 N 0.14 -0.12 3.46 0.00 0.00 -1.26 -4.62 105.19 102.80 1qvg n GLY 45 Ca 0.00 -0.04 -0.32 0.00 0.00 0.00 0.00 46.02 45.66 1qvg n GLY 45 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1qvg n ASP 46 N -2.32 -1.50 -4.64 1.61 8.00 -1.08 -4.48 116.55 112.14 1qvg n ASP 46 Ca -0.06 0.22 -0.31 0.00 0.71 0.00 0.00 54.79 55.35 1qvg n ASP 46 Cb 0.60 -1.24 -0.09 0.00 -0.02 0.00 0.00 41.12 40.37 1qvg n ASP 46 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1qvg s THR 47 N -2.43 3.83 0.04 -3.53 2.01 -0.26 -1.37 115.64 113.93 1qvg s THR 47 Ca 0.60 -0.88 -0.13 0.00 0.31 0.00 0.00 61.69 61.59 1qvg s THR 47 Cb -0.20 -2.74 0.02 0.00 0.01 0.00 0.00 72.50 69.58 1qvg s THR 47 CO 0.65 0.26 0.29 -0.69 -0.69 0.00 0.00 174.62 174.44 1qvg s VAL 48 N -1.15 0.09 -0.14 3.82 1.01 0.32 -1.46 120.40 122.89 1qvg s VAL 48 Ca 0.21 -0.70 0.01 0.00 0.00 0.00 0.00 61.98 61.50 1qvg s VAL 48 Cb -0.11 -0.93 -0.00 0.00 0.00 0.00 0.00 36.38 35.33 1qvg s VAL 48 CO 0.12 -0.39 -0.18 -1.83 0.00 0.00 0.00 175.10 172.83 1qvg s GLU 49 N -2.55 3.18 -0.16 2.72 -1.05 0.26 -1.21 118.70 119.88 1qvg s GLU 49 Ca -0.05 -0.78 -0.29 0.00 -0.15 0.00 0.00 54.97 53.69 1qvg s GLU 49 Cb -0.01 -2.52 -0.03 0.00 -0.44 0.00 0.00 34.13 31.13 1qvg s GLU 49 CO -0.03 0.09 1.48 0.08 0.95 0.00 0.00 175.26 177.83 1qvg s VAL 50 N 0.62 3.89 -0.43 1.83 1.01 0.02 -1.10 120.40 126.24 1qvg s VAL 50 Ca -0.10 1.05 0.21 0.00 0.00 0.00 0.00 61.98 63.15 1qvg s VAL 50 Cb -0.16 -3.77 -0.29 0.00 0.00 0.00 0.00 36.38 32.16 1qvg s VAL 50 CO 0.03 -0.19 0.65 0.18 0.00 0.00 0.00 175.10 175.76 1qvg n LEU 51 N 7.38 0.41 0.00 3.92 4.77 0.12 0.13 117.00 133.73 1qvg n LEU 51 Ca 0.16 -0.21 0.00 0.00 -0.03 0.00 0.00 56.01 55.94 1qvg n LEU 51 Cb 0.44 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 1qvg n LEU 51 CO 0.61 0.10 -0.25 0.54 -1.33 0.00 0.00 177.39 177.06 1qvg n ARG 52 N -1.94 0.55 0.00 3.23 5.12 -1.19 -4.80 116.66 117.63 1qvg n ARG 52 Ca -0.01 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.91 1qvg n ARG 52 Cb 0.47 -0.75 0.00 0.00 -1.16 0.00 0.00 32.46 31.01 1qvg n ARG 52 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1qvg n GLY 53 N 2.31 -3.06 0.08 -0.13 0.00 -1.26 -4.60 105.19 98.54 1qvg n GLY 53 Ca 0.00 -1.29 0.10 0.00 0.00 0.00 0.00 46.02 44.83 1qvg n GLY 53 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1qvg n ASP 54 N -1.26 0.42 -0.94 1.61 10.43 -1.26 -1.37 116.55 124.19 1qvg n ASP 54 Ca 0.00 0.61 0.10 0.00 2.57 0.00 0.00 54.79 58.07 1qvg n ASP 54 Cb 0.00 -0.70 0.15 0.00 1.84 0.00 0.00 41.12 42.41 1qvg n ASP 54 CO 0.00 0.00 0.00 0.49 -1.07 0.00 0.00 177.20 176.62 1qvg n PHE 55 N -1.97 0.27 -1.55 1.24 3.01 -1.26 -5.01 117.46 112.19 1qvg n PHE 55 Ca 0.02 -0.15 -0.51 0.00 1.01 0.00 0.00 57.45 57.82 1qvg n PHE 55 Cb 0.20 -0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 39.62 1qvg n PHE 55 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1qvg n ALA 56 N 1.24 -1.59 0.00 4.37 0.00 -0.47 -1.33 120.51 122.73 1qvg n ALA 56 Ca 0.15 0.50 0.00 0.00 0.00 0.00 0.00 53.44 54.09 1qvg n ALA 56 Cb 0.54 -1.94 0.00 0.00 0.00 0.00 0.00 19.45 18.05 1qvg n ALA 56 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qvg n GLY 57 N 1.99 3.11 3.75 0.00 0.00 0.35 -4.97 105.19 109.42 1qvg n GLY 57 Ca 0.17 -0.94 -0.33 0.00 0.00 0.00 0.00 46.02 44.92 1qvg n GLY 57 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1qvg s GLU 58 N 0.00 2.48 0.17 1.61 2.02 -0.44 -4.68 118.70 119.85 1qvg s GLU 58 Ca 0.00 1.55 0.07 0.00 0.02 0.00 0.00 54.97 56.61 1qvg s GLU 58 Cb 0.00 -1.90 -0.04 0.00 0.10 0.00 0.00 34.13 32.29 1qvg s GLU 58 CO 0.00 -1.53 -0.15 -1.21 0.02 0.00 0.00 175.26 172.40 1qvg s GLU 59 N -4.02 1.19 -0.05 1.61 2.02 -1.26 -0.80 118.70 117.39 1qvg s GLU 59 Ca 0.70 -1.43 -0.31 0.00 0.02 0.00 0.00 54.97 53.95 1qvg s GLU 59 Cb -0.24 -1.04 0.13 0.00 0.10 0.00 0.00 34.13 33.08 1qvg s GLU 59 CO 0.43 0.18 1.35 0.20 0.02 0.00 0.00 175.26 177.45 1qvg s GLY 60 N -2.92 -0.40 -0.06 -1.39 0.00 -0.35 -4.98 107.32 97.23 1qvg s GLY 60 Ca 0.16 0.67 -0.17 0.00 0.00 0.00 0.00 44.72 45.38 1qvg s GLY 60 CO 0.05 1.35 0.46 1.85 0.00 0.00 0.00 173.10 176.81 1qvg s GLU 61 N -2.19 4.20 -0.31 2.90 2.12 -1.26 -0.52 118.70 123.64 1qvg s GLU 61 Ca 0.18 0.47 -0.28 0.00 0.36 0.00 0.00 54.97 55.69 1qvg s GLU 61 Cb 0.05 -3.35 -0.03 0.00 0.26 0.00 0.00 34.13 31.06 1qvg s GLU 61 CO -0.04 0.37 1.94 0.08 -0.54 0.00 0.00 175.26 177.07 1qvg s VAL 62 N -0.09 3.33 -0.07 3.70 1.01 -0.47 -0.80 120.40 127.01 1qvg s VAL 62 Ca 0.25 0.33 0.13 0.00 0.00 0.00 0.00 61.98 62.70 1qvg s VAL 62 Cb -0.16 -3.46 -0.09 0.00 0.00 0.00 0.00 36.38 32.67 1qvg s VAL 62 CO 0.12 -0.30 1.14 0.40 0.00 0.00 0.00 175.10 176.46 1qvg h ILE 63 N 6.93 0.95 -2.14 2.22 1.08 0.24 -3.35 117.51 123.44 1qvg h ILE 63 Ca -0.35 -2.48 -0.06 0.00 -0.39 0.00 0.00 64.86 61.57 1qvg h ILE 63 Cb 1.19 2.41 -0.20 0.00 -3.07 0.00 0.00 36.82 37.15 1qvg h ILE 63 CO 1.02 0.54 0.10 0.21 -0.69 0.00 0.00 178.15 179.33 1qvg s ASN 64 N -6.28 -0.63 -0.18 1.72 2.47 -1.07 -4.94 114.94 106.05 1qvg s ASN 64 Ca 0.00 0.86 -0.02 0.00 0.42 0.00 0.00 52.86 54.13 1qvg s ASN 64 Cb 0.08 0.79 0.05 0.00 -1.45 0.00 0.00 41.25 40.73 1qvg s ASN 64 CO 0.79 -0.47 0.01 -0.69 -3.72 0.00 0.00 177.10 173.02 1qvg s VAL 65 N -0.69 0.72 -0.31 -5.21 1.01 -1.26 0.04 120.40 114.69 1qvg s VAL 65 Ca -0.08 -0.55 -0.13 0.00 0.00 0.00 0.00 61.98 61.22 1qvg s VAL 65 Cb -0.02 -1.10 -0.03 0.00 0.00 0.00 0.00 36.38 35.24 1qvg s VAL 65 CO 0.06 -0.07 0.28 -0.62 0.00 0.00 0.00 175.10 174.75 1qvg s ASP 66 N 1.78 6.11 0.19 3.32 -1.08 -0.18 -4.96 116.67 121.85 1qvg s ASP 66 Ca -0.00 -0.14 0.10 0.00 -0.52 0.00 0.00 52.55 51.99 1qvg s ASP 66 Cb -0.16 -2.16 -0.04 0.00 -1.46 0.00 0.00 42.92 39.10 1qvg s ASP 66 CO -0.07 -0.20 1.38 -0.07 0.52 0.00 0.00 175.17 176.73 1qvg h LEU 67 N 8.54 0.00 0.27 -1.34 3.38 -1.95 -0.56 115.31 123.66 1qvg h LEU 67 Ca -0.32 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.64 1qvg h LEU 67 Cb 1.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 1qvg h LEU 67 CO 0.63 0.79 -0.13 -0.78 0.09 0.00 0.00 178.44 179.04 1qvg h ASP 68 N 0.00 -0.31 -0.01 -0.43 1.82 -1.96 -3.21 116.42 112.32 1qvg h ASP 68 Ca -0.01 -0.21 0.00 0.00 -0.39 0.00 0.00 57.03 56.42 1qvg h ASP 68 Cb 1.56 0.08 0.00 0.00 0.68 0.00 0.00 39.33 41.65 1qvg h ASP 68 CO 0.10 0.09 0.00 0.29 -1.61 0.00 0.00 179.24 178.11 1qvg n LYS 69 N -5.09 1.53 -3.76 0.28 5.02 -1.25 -4.97 118.16 109.92 1qvg n LYS 69 Ca -0.09 -0.77 -0.34 0.00 -2.02 0.00 0.00 58.31 55.09 1qvg n LYS 69 Cb 0.26 -1.48 0.04 0.00 -0.02 0.00 0.00 35.03 33.82 1qvg n LYS 69 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1qvg n ALA 70 N -0.06 -2.52 -2.89 7.82 0.00 -0.30 -5.00 120.51 117.56 1qvg n ALA 70 Ca 0.20 -0.30 -0.11 0.00 0.00 0.00 0.00 53.44 53.24 1qvg n ALA 70 Cb 0.31 -3.71 -0.07 0.00 0.00 0.00 0.00 19.45 15.97 1qvg n ALA 70 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1qvg s VAL 71 N -3.51 0.10 0.13 0.00 1.01 -0.69 -4.69 120.40 112.74 1qvg s VAL 71 Ca 0.44 -0.79 0.07 0.00 0.00 0.00 0.00 61.98 61.71 1qvg s VAL 71 Cb -0.17 -1.08 -0.04 0.00 0.00 0.00 0.00 36.38 35.09 1qvg s VAL 71 CO 0.88 -0.44 -0.17 0.27 0.00 0.00 0.00 175.10 175.64 1qvg s ILE 72 N -3.11 1.56 -0.24 2.22 -4.36 -0.81 -1.01 121.20 115.45 1qvg s ILE 72 Ca -0.01 -1.70 -0.09 0.00 -0.26 0.00 0.00 60.65 58.59 1qvg s ILE 72 Cb 0.01 -1.59 -0.04 0.00 1.25 0.00 0.00 42.46 42.09 1qvg s ILE 72 CO -0.07 -0.28 0.12 -1.00 0.24 0.00 0.00 174.94 173.96 1qvg s HIS 73 N -1.78 3.20 -0.15 1.37 3.76 0.11 -2.03 115.29 119.77 1qvg s HIS 73 Ca 0.09 -0.03 -0.04 0.00 -0.15 0.00 0.00 55.06 54.94 1qvg s HIS 73 Cb -0.07 -2.26 -0.03 0.00 1.11 0.00 0.00 32.58 31.33 1qvg s HIS 73 CO 0.04 -0.11 -0.04 0.08 -0.85 0.00 0.00 174.74 173.86 1qvg s VAL 74 N 1.31 3.89 0.13 -0.90 1.01 -1.26 0.89 120.40 125.47 1qvg s VAL 74 Ca 0.06 -0.36 -0.34 0.00 0.00 0.00 0.00 61.98 61.34 1qvg s VAL 74 Cb -0.15 -2.70 -0.14 0.00 0.00 0.00 0.00 36.38 33.39 1qvg s VAL 74 CO 0.05 0.50 1.57 1.21 0.00 0.00 0.00 175.10 178.43 1qvg n GLU 75 N 3.50 2.02 -0.44 2.72 2.13 0.02 -1.70 120.64 128.90 1qvg n GLU 75 Ca -0.17 0.73 0.00 0.00 0.66 0.00 0.00 57.16 58.38 1qvg n GLU 75 Cb 0.52 -2.49 0.00 0.00 0.27 0.00 0.00 31.44 29.75 1qvg n GLU 75 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1qvg n ASP 76 N 3.51 0.00 -4.41 4.31 8.00 -1.26 -4.51 116.55 122.19 1qvg n ASP 76 Ca 0.18 0.00 -0.45 0.00 0.71 0.00 0.00 54.79 55.23 1qvg n ASP 76 Cb 0.28 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.37 1qvg n ASP 76 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1qvg s VAL 77 N -3.27 5.39 0.35 2.53 1.01 -0.69 -4.99 120.40 120.73 1qvg s VAL 77 Ca 0.00 -2.76 0.03 0.00 0.00 0.00 0.00 61.98 59.25 1qvg s VAL 77 Cb 0.00 -4.75 -0.05 0.00 0.00 0.00 0.00 36.38 31.59 1qvg s VAL 77 CO 0.00 -1.40 0.09 0.42 0.00 0.00 0.00 175.10 174.21 1qvg s THR 78 N 0.60 0.86 0.03 3.92 -4.23 -1.26 -1.84 115.64 113.72 1qvg s THR 78 Ca 0.35 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 58.94 1qvg s THR 78 Cb -0.06 -2.60 -0.03 0.00 1.34 0.00 0.00 72.50 71.15 1qvg s THR 78 CO -0.05 0.00 -0.24 -0.76 -0.54 0.00 0.00 174.62 173.03 1qvg s LEU 79 N -3.51 2.28 -0.52 4.79 1.43 0.61 -4.78 118.68 118.99 1qvg s LEU 79 Ca 0.32 -0.52 -0.23 0.00 -1.03 0.00 0.00 54.13 52.67 1qvg s LEU 79 Cb 0.06 -1.36 0.04 0.00 0.03 0.00 0.00 46.19 44.96 1qvg s LEU 79 CO 0.15 0.27 0.85 -0.70 0.23 0.00 0.00 176.35 177.15 1qvg s GLU 80 N -1.17 3.31 1.08 1.70 2.56 -1.26 -0.50 118.70 124.42 1qvg s GLU 80 Ca 0.12 -0.34 -0.15 0.00 0.00 0.00 0.00 54.97 54.61 1qvg s GLU 80 Cb -0.10 -4.04 0.23 0.00 2.00 0.00 0.00 34.13 32.22 1qvg s GLU 80 CO 0.02 -1.36 1.09 0.15 -0.56 0.00 0.00 175.26 174.60 1qvg s LYS 81 N 3.58 -0.22 0.10 4.30 1.02 -0.13 -4.92 119.74 123.46 1qvg s LYS 81 Ca 0.28 0.32 -0.17 0.00 0.02 0.00 0.00 55.97 56.42 1qvg s LYS 81 Cb -0.14 -1.68 -0.06 0.00 -0.52 0.00 0.00 37.83 35.44 1qvg s LYS 81 CO 0.19 -3.13 1.53 1.15 -0.92 0.00 0.00 175.35 174.17 1qvg h THR 82 N -2.17 1.26 0.00 2.17 2.02 -1.97 -2.60 112.91 111.62 1qvg h THR 82 Ca -0.52 -1.00 0.00 0.00 0.77 0.00 0.00 66.41 65.66 1qvg h THR 82 Cb 1.32 1.29 0.00 0.00 -1.74 0.00 0.00 68.15 69.02 1qvg h THR 82 CO 0.50 0.32 0.00 -0.90 0.37 0.00 0.00 175.52 175.82 1qvg n ASP 83 N -4.52 0.00 0.00 4.18 5.68 -1.26 -4.83 116.55 115.80 1qvg n ASP 83 Ca -0.02 0.10 0.00 0.00 -0.50 0.00 0.00 54.79 54.37 1qvg n ASP 83 Cb 0.28 -0.28 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 1qvg n ASP 83 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1qvg n GLY 84 N -0.23 2.88 3.65 6.12 0.00 -0.98 -5.07 105.19 111.56 1qvg n GLY 84 Ca 0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 1qvg n GLY 84 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1qvg n GLU 85 N -1.44 -0.21 -4.53 1.61 2.13 -1.26 -4.66 120.64 112.28 1qvg n GLU 85 Ca 0.00 0.01 -0.33 0.00 0.66 0.00 0.00 57.16 57.50 1qvg n GLU 85 Cb 0.00 -2.34 -0.16 0.00 0.27 0.00 0.00 31.44 29.21 1qvg n GLU 85 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 1qvg s GLU 86 N -4.32 3.00 0.14 5.31 2.12 -1.26 -0.96 118.70 122.74 1qvg s GLU 86 Ca 0.68 -0.85 0.08 0.00 0.36 0.00 0.00 54.97 55.25 1qvg s GLU 86 Cb -0.25 -2.46 -0.04 0.00 0.26 0.00 0.00 34.13 31.64 1qvg s GLU 86 CO 0.56 -0.06 -0.19 0.14 -0.54 0.00 0.00 175.26 175.17 1qvg s VAL 87 N 0.94 1.78 0.38 3.70 -7.23 0.35 -4.91 120.40 115.40 1qvg s VAL 87 Ca -0.04 -1.78 -0.28 0.00 -1.81 0.00 0.00 61.98 58.07 1qvg s VAL 87 Cb -0.15 -1.74 -0.10 0.00 0.56 0.00 0.00 36.38 34.95 1qvg s VAL 87 CO -0.05 -0.22 1.38 -2.16 -0.31 0.00 0.00 175.10 173.74 1qvg s PRO 88 N -2.47 4.11 -0.59 4.82 0.04 -1.26 0.22 135.00 139.88 1qvg s PRO 88 Ca 0.12 2.35 -0.11 0.00 0.04 0.00 0.00 61.00 63.41 1qvg s PRO 88 Cb -0.07 -2.92 0.15 0.00 0.04 0.00 0.00 34.50 31.69 1qvg s PRO 88 CO 0.06 -0.44 0.49 0.50 0.04 0.00 0.00 177.00 177.64 1qvg s ARG 89 N -2.07 2.85 0.41 4.56 6.06 -0.77 -4.66 118.95 125.33 1qvg s ARG 89 Ca 0.53 -2.01 -0.16 0.00 -2.50 0.00 0.00 55.73 51.59 1qvg s ARG 89 Cb -0.42 -4.10 -0.13 0.00 0.06 0.00 0.00 34.95 30.36 1qvg s ARG 89 CO 0.56 -1.24 -0.06 -2.30 -2.50 0.00 0.00 175.30 169.75 1qvg n PRO 90 N 4.59 0.00 -4.14 5.12 -0.02 -1.26 -4.83 135.00 134.45 1qvg n PRO 90 Ca -0.02 0.00 -0.15 0.00 -2.02 0.00 0.00 63.50 61.31 1qvg n PRO 90 Cb 0.42 -0.86 -0.13 0.00 -0.02 0.00 0.00 33.50 32.91 1qvg n PRO 90 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1qvg s LEU 91 N 4.16 2.16 -0.26 2.45 1.43 -0.86 -4.95 118.68 122.82 1qvg s LEU 91 Ca 0.49 -0.39 -0.19 0.00 -1.03 0.00 0.00 54.13 53.01 1qvg s LEU 91 Cb -0.45 -0.27 -0.02 0.00 0.03 0.00 0.00 46.19 45.48 1qvg s LEU 91 CO 0.56 -0.08 0.57 -0.62 0.23 0.00 0.00 176.35 177.01 1qvg s ASP 92 N -1.05 6.51 0.50 2.29 -1.08 -1.26 -1.93 116.67 120.66 1qvg s ASP 92 Ca -0.04 0.62 0.40 0.00 -0.52 0.00 0.00 52.55 53.00 1qvg s ASP 92 Cb -0.07 -2.31 1.59 0.00 -1.46 0.00 0.00 42.92 40.67 1qvg s ASP 92 CO 0.00 -0.33 1.61 0.71 0.52 0.00 0.00 175.17 177.69 1qvg h THR 93 N 5.40 0.08 0.00 1.71 1.35 -1.84 0.47 112.91 120.09 1qvg h THR 93 Ca -0.28 -0.01 0.00 0.00 -0.55 0.00 0.00 66.41 65.57 1qvg h THR 93 Cb 1.13 0.05 0.00 0.00 -1.73 0.00 0.00 68.15 67.60 1qvg h THR 93 CO 0.74 0.01 0.00 -1.28 -0.25 0.00 0.00 175.52 174.74 1qvg h SER 94 N 0.03 0.00 -0.31 5.36 0.87 -1.91 0.12 113.55 117.70 1qvg h SER 94 Ca 0.86 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 61.39 1qvg h SER 94 Cb 3.11 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 65.05 1qvg h SER 94 CO -0.21 0.00 0.01 0.59 -0.53 0.00 0.00 176.83 176.68 1qvg n ASN 95 N -2.57 3.85 -4.29 6.23 3.02 0.17 -4.98 115.26 116.68 1qvg n ASN 95 Ca -0.02 -3.12 -0.21 0.00 -0.03 0.00 0.00 54.58 51.20 1qvg n ASN 95 Cb 0.05 -0.57 -0.11 0.00 -0.61 0.00 0.00 39.78 38.54 1qvg n ASN 95 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1qvg s VAL 96 N -2.89 1.62 -0.06 2.41 1.01 0.42 0.14 120.40 123.05 1qvg s VAL 96 Ca 0.44 -1.76 0.00 0.00 0.00 0.00 0.00 61.98 60.67 1qvg s VAL 96 Cb 0.36 -1.66 0.02 0.00 0.00 0.00 0.00 36.38 35.10 1qvg s VAL 96 CO 0.08 -0.29 -0.05 -0.60 0.00 0.00 0.00 175.10 174.25 1qvg s ARG 97 N -2.54 0.96 0.04 2.72 3.52 -0.26 -3.66 118.95 119.72 1qvg s ARG 97 Ca 0.11 -0.11 -0.30 0.00 -0.13 0.00 0.00 55.73 55.30 1qvg s ARG 97 Cb -0.06 -1.02 -0.04 0.00 -1.56 0.00 0.00 34.95 32.26 1qvg s ARG 97 CO 0.05 -0.15 1.10 0.08 -0.81 0.00 0.00 175.30 175.57 1qvg s VAL 98 N 1.24 4.40 -0.01 7.11 1.01 -0.60 0.89 120.40 134.44 1qvg s VAL 98 Ca -0.06 1.73 0.03 0.00 0.00 0.00 0.00 61.98 63.68 1qvg s VAL 98 Cb -0.14 -4.11 -0.05 0.00 0.00 0.00 0.00 36.38 32.09 1qvg s VAL 98 CO -0.02 0.14 0.07 0.35 0.00 0.00 0.00 175.10 175.63 1qvg n THR 99 N 3.90 0.00 -3.85 3.92 -2.24 -0.54 -2.06 114.28 113.42 1qvg n THR 99 Ca 0.08 -0.07 -0.12 0.00 -2.27 0.00 0.00 64.05 61.66 1qvg n THR 99 Cb 0.48 0.44 -0.11 0.00 -2.10 0.00 0.00 70.33 69.04 1qvg n THR 99 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1qvg s ASP 100 N -2.34 -0.06 0.09 3.42 -1.08 -1.17 -4.95 116.67 110.58 1qvg s ASP 100 Ca -0.01 0.04 0.08 0.00 -0.52 0.00 0.00 52.55 52.14 1qvg s ASP 100 Cb 0.02 0.27 -0.04 0.00 -1.46 0.00 0.00 42.92 41.71 1qvg s ASP 100 CO 0.13 -0.23 -0.18 -0.76 0.52 0.00 0.00 175.17 174.65 1qvg s LEU 101 N -0.71 2.66 -0.43 -1.34 1.43 -1.26 -1.11 118.68 117.92 1qvg s LEU 101 Ca -0.08 -0.51 -0.15 0.00 -1.03 0.00 0.00 54.13 52.36 1qvg s LEU 101 Cb -0.05 -1.53 0.04 0.00 0.03 0.00 0.00 46.19 44.68 1qvg s LEU 101 CO 0.01 0.21 0.33 -0.62 0.23 0.00 0.00 176.35 176.51 1qvg s ASP 102 N -1.87 6.11 -0.39 2.29 -1.08 -1.26 -4.85 116.67 115.62 1qvg s ASP 102 Ca 0.17 -1.06 0.06 0.00 -0.52 0.00 0.00 52.55 51.20 1qvg s ASP 102 Cb -0.11 -2.16 0.53 0.00 -1.46 0.00 0.00 42.92 39.72 1qvg s ASP 102 CO 0.08 -0.52 1.62 0.18 0.52 0.00 0.00 175.17 177.06 1qvg n LEU 103 N 5.17 5.39 0.00 -1.34 4.77 -1.26 -4.64 117.00 125.09 1qvg n LEU 103 Ca -0.12 -3.96 0.03 0.00 -0.03 0.00 0.00 56.01 51.94 1qvg n LEU 103 Cb 0.46 -0.70 0.15 0.00 -2.33 0.00 0.00 43.42 41.00 1qvg n LEU 103 CO 0.43 1.36 0.50 -0.62 -1.33 0.00 0.00 177.39 177.73 1qvg n GLU 104 N -1.05 0.10 -3.65 3.23 1.02 -1.26 -4.48 120.64 114.56 1qvg n GLU 104 Ca 0.45 0.19 -0.38 0.00 -0.02 0.00 0.00 57.16 57.41 1qvg n GLU 104 Cb 1.12 -1.50 -0.12 0.00 -0.02 0.00 0.00 31.44 30.92 1qvg n GLU 104 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1qvg s ASP 105 N -2.47 5.68 0.16 1.62 -1.08 -1.26 -4.95 116.67 114.36 1qvg s ASP 105 Ca 0.06 -0.18 -0.17 0.00 -0.52 0.00 0.00 52.55 51.74 1qvg s ASP 105 Cb 0.04 -2.04 0.07 0.00 -1.46 0.00 0.00 42.92 39.53 1qvg s ASP 105 CO 0.08 -0.08 1.68 -0.33 0.52 0.00 0.00 175.17 177.05 1qvg h GLU 106 N 8.34 0.03 -0.08 4.34 5.08 -2.00 -0.67 114.58 129.61 1qvg h GLU 106 Ca -0.35 -0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.03 1qvg h GLU 106 Cb 1.18 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.39 1qvg h GLU 106 CO 0.58 0.02 -0.10 0.87 -1.00 0.00 0.00 179.01 179.37 1qvg h LYS 107 N 0.03 -0.13 -0.28 2.33 1.57 -1.94 0.75 116.57 118.91 1qvg h LYS 107 Ca 0.17 0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.97 1qvg h LYS 107 Cb 0.26 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.57 1qvg h LYS 107 CO -0.34 -0.09 0.15 -0.09 -0.57 0.00 0.00 179.45 178.51 1qvg h ARG 108 N -0.13 0.31 -0.83 3.15 2.43 -1.74 -1.56 114.38 116.01 1qvg h ARG 108 Ca 0.07 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.21 1qvg h ARG 108 Cb 0.23 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.67 1qvg h ARG 108 CO -0.16 0.20 0.48 1.49 -1.51 0.00 0.00 179.97 180.47 1qvg h GLU 109 N 0.31 1.14 0.21 0.20 4.81 -0.95 -1.26 114.58 119.05 1qvg h GLU 109 Ca 0.11 -0.11 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1qvg h GLU 109 Cb 0.01 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.15 1qvg h GLU 109 CO -0.06 0.81 -0.18 0.00 -0.73 0.00 0.00 179.01 178.85 1qvg h ALA 110 N 1.38 -0.94 -0.83 2.92 0.00 -0.14 -0.82 119.26 120.83 1qvg h ALA 110 Ca 0.30 -0.07 0.20 0.00 0.00 0.00 0.00 54.91 55.33 1qvg h ALA 110 Cb -0.01 0.38 -0.14 0.00 0.00 0.00 0.00 17.79 18.01 1qvg h ALA 110 CO -0.05 -0.94 0.06 0.00 0.00 0.00 0.00 179.25 178.31 1qvg h ARG 111 N -0.38 0.11 -0.69 0.00 3.08 -1.21 0.68 114.38 115.96 1qvg h ARG 111 Ca -0.03 -0.01 0.08 0.00 0.07 0.00 0.00 59.98 60.09 1qvg h ARG 111 Cb 0.32 -0.02 -0.06 0.00 0.08 0.00 0.00 29.97 30.28 1qvg h ARG 111 CO -0.00 0.07 0.36 -0.07 -1.07 0.00 0.00 179.97 179.26 1qvg h LEU 112 N 0.11 0.50 0.03 3.04 3.38 -0.85 -3.13 115.31 118.39 1qvg h LEU 112 Ca 0.48 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.49 1qvg h LEU 112 Cb 0.89 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.60 1qvg h LEU 112 CO -0.71 0.31 -0.01 -0.33 0.09 0.00 0.00 178.44 177.78 1qvg h GLU 113 N 0.64 -0.03 -6.16 1.13 5.08 0.52 -3.45 114.58 112.30 1qvg h GLU 113 Ca 0.33 0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 58.10 1qvg h GLU 113 Cb 0.29 0.01 0.18 0.00 0.50 0.00 0.00 28.75 29.72 1qvg h GLU 113 CO -0.23 0.68 -0.91 -1.13 -1.00 0.00 0.00 179.01 176.42 1qvg n SER 114 N -4.72 -2.82 -0.56 1.42 3.41 -0.04 -4.86 113.62 105.43 1qvg n SER 114 Ca -0.08 0.68 0.11 0.00 -0.26 0.00 0.00 58.87 59.32 1qvg n SER 114 Cb 0.35 -0.95 0.02 0.00 -0.26 0.00 0.00 64.21 63.37 1qvg n SER 114 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 1qvg n GLU 115 N 1.00 1.38 0.00 4.33 0.28 -1.26 -4.24 120.64 122.13 1qvg n GLU 115 Ca 0.09 -1.13 0.11 0.00 -0.16 0.00 0.00 57.16 56.07 1qvg n GLU 115 Cb 0.47 -1.48 0.03 0.00 1.43 0.00 0.00 31.44 31.89 1qvg n GLU 115 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1qvg n ASP 116 N 0.18 2.21 -3.92 -1.84 8.00 -1.26 -4.96 116.55 114.96 1qvg n ASP 116 Ca 0.10 -1.61 -0.10 0.00 0.71 0.00 0.00 54.79 53.90 1qvg n ASP 116 Cb 0.49 0.37 -0.09 0.00 -0.02 0.00 0.00 41.12 41.87 1qvg n ASP 116 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1qvg s ASP 117 N -2.38 0.15 0.16 -2.24 -1.08 -1.26 -5.17 116.67 104.86 1qvg s ASP 117 Ca 0.21 -0.48 0.10 0.00 -0.52 0.00 0.00 52.55 51.85 1qvg s ASP 117 Cb 0.19 0.22 -0.04 0.00 -1.46 0.00 0.00 42.92 41.83 1qvg s ASP 117 CO 0.52 -0.49 -0.23 -0.94 0.52 0.00 0.00 175.17 174.55 1qvg s SER 118 N -2.01 3.10 0.00 -0.34 1.04 -1.26 -4.66 113.70 109.57 1qvg s SER 118 Ca -0.06 -0.82 0.00 0.00 0.48 0.00 0.00 55.95 55.55 1qvg s SER 118 Cb -0.02 -0.21 0.00 0.00 0.10 0.00 0.00 66.02 65.89 1qvg s SER 118 CO -0.04 0.09 0.40 0.00 0.98 0.00 0.00 173.24 174.66