#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qvg s LYS 2 N 0.00 3.90 -0.22 4.33 -0.14 -1.26 -5.00 119.74 121.35 1qvg s LYS 2 Ca 0.00 0.78 0.00 0.00 -1.36 0.00 0.00 55.97 55.39 1qvg s LYS 2 Cb 0.00 -2.24 -0.14 0.00 -1.68 0.00 0.00 37.83 33.77 1qvg s LYS 2 CO 0.00 -0.17 -0.21 2.41 -0.76 0.00 0.00 175.35 176.63 1qvg n THR 3 N -1.41 1.26 -1.80 2.17 -1.04 -1.26 -4.93 114.28 107.26 1qvg n THR 3 Ca 0.05 -0.47 -0.43 0.00 -2.04 0.00 0.00 64.05 61.17 1qvg n THR 3 Cb 0.54 -1.33 -0.03 0.00 -1.82 0.00 0.00 70.33 67.69 1qvg n THR 3 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 1qvg s ASN 4 N -6.23 5.92 0.42 8.00 3.84 -1.26 -4.86 114.94 120.79 1qvg s ASN 4 Ca -0.30 1.87 0.09 0.00 0.21 0.00 0.00 52.86 54.74 1qvg s ASN 4 Cb 0.08 -2.52 0.92 0.00 -0.55 0.00 0.00 41.25 39.18 1qvg s ASN 4 CO 0.50 -1.59 2.04 -0.65 -2.79 0.00 0.00 177.10 174.61 1qvg h PRO 5 N 12.87 0.37 -0.01 0.43 0.11 -1.98 0.27 132.00 144.06 1qvg h PRO 5 Ca -0.40 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.68 1qvg h PRO 5 Cb 1.21 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 1qvg h PRO 5 CO 0.98 0.30 0.00 0.00 -0.21 0.00 0.00 178.00 179.07 1qvg h ARG 6 N 0.37 0.02 -0.55 1.05 3.08 -1.99 0.22 114.38 116.59 1qvg h ARG 6 Ca 0.10 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.14 1qvg h ARG 6 Cb 0.05 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.08 1qvg h ARG 6 CO -0.01 0.31 0.36 1.25 -1.07 0.00 0.00 179.97 180.81 1qvg h LEU 7 N -0.28 0.63 -0.10 3.04 5.85 -1.90 0.24 115.31 122.79 1qvg h LEU 7 Ca 0.00 -0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.73 1qvg h LEU 7 Cb 0.31 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.15 1qvg h LEU 7 CO 0.00 0.47 -0.08 -1.28 -0.34 0.00 0.00 178.44 177.21 1qvg h SER 8 N 0.74 -0.24 -0.09 1.25 0.87 -0.74 -1.57 113.55 113.76 1qvg h SER 8 Ca 0.20 0.05 -0.00 0.00 -1.23 0.00 0.00 61.79 60.81 1qvg h SER 8 Cb -0.07 0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 62.01 1qvg h SER 8 CO -0.04 -0.11 0.04 0.28 -0.53 0.00 0.00 176.83 176.47 1qvg h SER 9 N -0.09 0.12 -0.82 6.23 0.02 -0.13 -2.39 113.55 116.49 1qvg h SER 9 Ca 0.07 -0.13 0.20 0.00 -0.84 0.00 0.00 61.79 61.09 1qvg h SER 9 Cb 0.18 -0.03 -0.13 0.00 0.14 0.00 0.00 62.40 62.56 1qvg h SER 9 CO -0.15 0.22 0.20 0.25 -1.14 0.00 0.00 176.83 176.21 1qvg h LEU 10 N 0.02 -0.00 -0.64 5.07 5.85 -0.29 0.17 115.31 125.48 1qvg h LEU 10 Ca 0.03 0.18 -0.05 0.00 0.84 0.00 0.00 57.88 58.88 1qvg h LEU 10 Cb 0.13 0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.37 1qvg h LEU 10 CO -0.00 -0.10 0.21 0.40 -0.34 0.00 0.00 178.44 178.60 1qvg h ILE 11 N 0.24 1.25 -0.82 4.05 2.04 -1.02 0.98 117.51 124.22 1qvg h ILE 11 Ca 0.49 -0.84 -0.01 0.00 1.00 0.00 0.00 64.86 65.50 1qvg h ILE 11 Cb 0.92 0.58 -0.04 0.00 -0.74 0.00 0.00 36.82 37.55 1qvg h ILE 11 CO -0.60 0.32 0.46 0.00 0.00 0.00 0.00 178.15 178.34 1qvg h ALA 12 N 1.08 1.05 -0.18 1.87 0.00 -0.24 -2.16 119.26 120.67 1qvg h ALA 12 Ca 0.21 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1qvg h ALA 12 Cb 0.29 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1qvg h ALA 12 CO -0.01 0.55 -0.00 -0.44 0.00 0.00 0.00 179.25 179.35 1qvg h ASP 13 N 1.14 0.31 -0.95 0.00 3.32 -0.62 -1.94 116.42 117.68 1qvg h ASP 13 Ca 0.29 -0.32 0.19 0.00 0.02 0.00 0.00 57.03 57.21 1qvg h ASP 13 Cb 0.01 -0.08 -0.11 0.00 0.22 0.00 0.00 39.33 39.37 1qvg h ASP 13 CO -0.05 0.55 0.54 -0.07 -1.72 0.00 0.00 179.24 178.49 1qvg h LEU 14 N 0.06 0.65 0.22 1.55 3.38 -0.49 -1.97 115.31 118.71 1qvg h LEU 14 Ca 0.05 0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 1qvg h LEU 14 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1qvg h LEU 14 CO 0.01 0.21 -0.10 0.11 0.09 0.00 0.00 178.44 178.75 1qvg h LYS 15 N 0.66 -0.28 -1.80 1.13 1.57 -1.12 -2.14 116.57 114.60 1qvg h LYS 15 Ca 0.56 0.02 0.52 0.00 -1.87 0.00 0.00 60.65 59.88 1qvg h LYS 15 Cb 0.90 0.06 -0.07 0.00 0.08 0.00 0.00 32.23 33.20 1qvg h LYS 15 CO -0.41 -0.19 1.29 0.45 -0.57 0.00 0.00 179.45 180.03 1qvg n SER 16 N -2.98 0.00 0.04 0.86 2.88 -0.75 0.29 113.62 113.96 1qvg n SER 16 Ca -0.04 0.91 -0.11 0.00 -1.33 0.00 0.00 58.87 58.30 1qvg n SER 16 Cb 0.11 -0.46 -0.13 0.00 -0.75 0.00 0.00 64.21 62.98 1qvg n SER 16 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1qvg h ALA 17 N 0.92 0.45 0.00 -1.46 0.00 -1.30 -2.18 119.26 115.68 1qvg h ALA 17 Ca 0.86 -1.16 -0.16 0.00 0.00 0.00 0.00 54.91 54.45 1qvg h ALA 17 Cb 3.44 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 21.42 1qvg h ALA 17 CO -0.02 1.31 -0.75 0.00 0.00 0.00 0.00 179.25 179.79 1qvg h ALA 18 N 0.79 0.75 0.06 0.00 0.00 0.49 -2.27 119.26 119.09 1qvg h ALA 18 Ca -0.18 -0.69 -0.00 0.00 0.00 0.00 0.00 54.91 54.04 1qvg h ALA 18 Cb 1.94 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.61 1qvg h ALA 18 CO 0.13 0.94 -0.03 0.00 0.00 0.00 0.00 179.25 180.29 1qvg h ARG 19 N 0.00 -0.08 0.00 0.00 3.08 -0.91 -3.36 114.38 113.10 1qvg h ARG 19 Ca -0.01 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1qvg h ARG 19 Cb 1.34 0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.41 1qvg h ARG 19 CO 0.10 0.23 0.00 0.43 -1.07 0.00 0.00 179.97 179.66 1qvg n SER 20 N -4.80 0.00 -4.37 7.04 7.64 -0.82 -4.73 113.62 113.58 1qvg n SER 20 Ca -0.04 0.31 -0.32 0.00 1.01 0.00 0.00 58.87 59.83 1qvg n SER 20 Cb 0.17 0.00 0.17 0.00 -1.01 0.00 0.00 64.21 63.54 1qvg n SER 20 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1qvg n SER 21 N -0.33 -2.04 -0.14 6.43 7.64 -0.85 -4.81 113.62 119.52 1qvg n SER 21 Ca 0.00 0.05 0.00 0.00 1.01 0.00 0.00 58.87 59.93 1qvg n SER 21 Cb 0.00 -1.11 0.01 0.00 -1.01 0.00 0.00 64.21 62.10 1qvg n SER 21 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1qvg n GLY 22 N 1.62 -0.37 3.75 0.23 0.00 -1.26 -4.58 105.19 104.59 1qvg n GLY 22 Ca 0.04 -0.01 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 1qvg n GLY 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qvg n GLY 23 N 0.40 0.99 0.00 -0.02 0.00 -1.25 -4.92 105.19 100.39 1qvg n GLY 23 Ca 0.00 0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.26 1qvg n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qvg n ALA 24 N 0.04 1.31 0.09 4.61 0.00 -1.26 -4.51 120.51 120.78 1qvg n ALA 24 Ca 0.04 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.28 1qvg n ALA 24 Cb 0.40 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.73 1qvg n ALA 24 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 1qvg h VAL 25 N 0.00 1.33 -0.63 0.00 -1.51 -1.91 -2.33 116.25 111.20 1qvg h VAL 25 Ca 0.00 -2.52 -0.03 0.00 -1.23 0.00 0.00 66.70 62.91 1qvg h VAL 25 Cb 0.00 2.67 -0.03 0.00 -2.13 0.00 0.00 31.29 31.80 1qvg h VAL 25 CO 0.00 0.76 0.26 -0.50 -1.23 0.00 0.00 177.57 176.86 1qvg h TRP 26 N 0.25 0.94 0.00 5.19 -0.00 -1.85 0.22 115.95 120.69 1qvg h TRP 26 Ca -0.16 -0.06 -0.03 0.00 -0.00 0.00 0.00 58.89 58.63 1qvg h TRP 26 Cb 1.86 -0.28 -0.00 0.00 -0.00 0.00 0.00 29.16 30.73 1qvg h TRP 26 CO 0.10 0.73 -0.14 0.78 -0.00 0.00 0.00 178.44 179.91 1qvg h GLY 27 N 0.87 0.00 0.83 1.49 0.00 -1.72 -0.73 103.07 103.81 1qvg h GLY 27 Ca 0.21 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.35 1qvg h GLY 27 CO -0.02 0.00 -0.80 -1.80 0.00 0.00 0.00 176.54 173.92 1qvg h ASP 28 N 0.00 0.58 -0.60 0.19 3.58 -0.74 -3.02 116.42 116.41 1qvg h ASP 28 Ca -0.00 -0.84 -0.10 0.00 0.42 0.00 0.00 57.03 56.51 1qvg h ASP 28 Cb 0.68 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 41.53 1qvg h ASP 28 CO 0.02 1.36 -0.02 0.58 -2.88 0.00 0.00 179.24 178.29 1qvg h VAL 29 N -0.13 1.27 -0.67 2.25 2.07 -0.43 -2.69 116.25 117.93 1qvg h VAL 29 Ca -0.12 -1.18 0.05 0.00 0.82 0.00 0.00 66.70 66.27 1qvg h VAL 29 Cb 1.54 0.83 -0.05 0.00 -1.52 0.00 0.00 31.29 32.09 1qvg h VAL 29 CO 0.15 0.43 0.39 0.00 0.02 0.00 0.00 177.57 178.56 1qvg h ALA 30 N 0.98 0.89 -0.37 1.67 0.00 -1.20 -0.91 119.26 120.33 1qvg h ALA 30 Ca 0.17 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 1qvg h ALA 30 Cb 0.59 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1qvg h ALA 30 CO 0.04 0.09 -0.00 0.93 0.00 0.00 0.00 179.25 180.30 1qvg h GLU 31 N 0.72 0.58 -0.09 0.00 5.08 -1.36 -0.94 114.58 118.56 1qvg h GLU 31 Ca 0.29 -0.13 -0.20 0.00 -1.00 0.00 0.00 59.36 58.32 1qvg h GLU 31 Cb 0.14 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1qvg h GLU 31 CO -0.16 0.60 -0.77 -0.09 -1.00 0.00 0.00 179.01 177.59 1qvg h ARG 32 N 0.55 0.54 -0.11 2.33 9.65 -1.05 -3.01 114.38 123.28 1qvg h ARG 32 Ca 0.12 -0.45 -0.10 0.00 -1.10 0.00 0.00 59.98 58.44 1qvg h ARG 32 Cb 0.36 0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 29.02 1qvg h ARG 32 CO 0.01 1.08 -0.38 -0.07 2.80 0.00 0.00 179.97 183.41 1qvg h LEU 33 N 0.36 0.24 -1.65 3.80 3.38 -0.89 -1.88 115.31 118.67 1qvg h LEU 33 Ca -0.04 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.81 1qvg h LEU 33 Cb 1.37 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 42.05 1qvg h LEU 33 CO 0.14 0.60 -0.12 -0.33 0.09 0.00 0.00 178.44 178.83 1qvg h GLU 34 N 0.20 0.00 -7.35 1.13 5.08 -1.11 -3.44 114.58 109.09 1qvg h GLU 34 Ca 0.02 0.00 -0.50 0.00 -1.00 0.00 0.00 59.36 57.88 1qvg h GLU 34 Cb 0.76 0.00 0.12 0.00 0.50 0.00 0.00 28.75 30.13 1qvg h GLU 34 CO 0.06 0.12 0.32 0.15 -1.00 0.00 0.00 179.01 178.66 1qvg s LYS 35 N -3.90 2.18 0.51 2.33 1.02 -0.71 -4.96 119.74 116.21 1qvg s LYS 35 Ca -0.01 0.91 -0.19 0.00 0.02 0.00 0.00 55.97 56.69 1qvg s LYS 35 Cb 0.11 -1.91 -0.11 0.00 -0.52 0.00 0.00 37.83 35.40 1qvg s LYS 35 CO 0.58 -1.63 0.35 -2.30 -0.92 0.00 0.00 175.35 171.43 1qvg n PRO 36 N -3.48 0.38 -0.18 -1.68 -0.02 -1.26 -4.83 135.00 123.94 1qvg n PRO 36 Ca 0.08 0.15 0.09 0.00 -2.02 0.00 0.00 63.50 61.79 1qvg n PRO 36 Cb 0.54 -1.45 0.40 0.00 -0.02 0.00 0.00 33.50 32.97 1qvg n PRO 36 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1qvg h ARG 37 N 0.32 0.64 0.00 -0.52 3.08 -1.93 -1.85 114.38 114.12 1qvg h ARG 37 Ca -0.43 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 59.57 1qvg h ARG 37 Cb 1.41 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 31.32 1qvg h ARG 37 CO 0.47 0.42 -0.06 0.07 -1.07 0.00 0.00 179.97 179.79 1qvg h ARG 38 N 0.65 0.00 0.00 0.04 0.11 -2.00 -0.63 114.38 112.56 1qvg h ARG 38 Ca 0.33 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.41 1qvg h ARG 38 Cb 0.43 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.51 1qvg h ARG 38 CO -0.12 0.06 -0.27 0.25 0.10 0.00 0.00 179.97 180.00 1qvg n THR 39 N -4.05 0.17 -0.72 0.08 -2.24 -0.70 -4.91 114.28 101.91 1qvg n THR 39 Ca -0.03 -0.10 -0.30 0.00 -2.27 0.00 0.00 64.05 61.35 1qvg n THR 39 Cb 0.15 -0.22 0.18 0.00 -2.10 0.00 0.00 70.33 68.34 1qvg n THR 39 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1qvg s HIS 40 N -3.05 1.65 0.03 4.78 3.76 -0.25 -4.97 115.29 117.25 1qvg s HIS 40 Ca 0.11 1.65 -0.26 0.00 -0.15 0.00 0.00 55.06 56.41 1qvg s HIS 40 Cb 0.16 -3.27 -0.05 0.00 1.11 0.00 0.00 32.58 30.53 1qvg s HIS 40 CO 0.63 -2.93 0.82 0.00 -0.85 0.00 0.00 174.74 172.41 1qvg s ALA 41 N -2.64 3.31 -0.40 -1.40 0.00 -1.12 -4.98 121.76 114.53 1qvg s ALA 41 Ca 0.67 0.35 0.02 0.00 0.00 0.00 0.00 51.96 52.99 1qvg s ALA 41 Cb -0.23 -3.09 0.12 0.00 0.00 0.00 0.00 23.12 19.93 1qvg s ALA 41 CO 0.59 -0.02 0.19 -1.21 0.00 0.00 0.00 175.76 175.31 1qvg s GLU 42 N 0.24 1.17 -0.14 0.00 2.02 -1.25 0.64 118.70 121.37 1qvg s GLU 42 Ca 0.42 -1.78 -0.01 0.00 0.02 0.00 0.00 54.97 53.62 1qvg s GLU 42 Cb -0.21 -2.32 -0.01 0.00 0.10 0.00 0.00 34.13 31.69 1qvg s GLU 42 CO 0.24 -1.11 -0.12 0.08 0.02 0.00 0.00 175.26 174.37 1qvg s VAL 43 N 0.68 3.03 0.32 2.63 1.01 -0.54 -4.92 120.40 122.62 1qvg s VAL 43 Ca 0.15 -0.66 -0.11 0.00 0.00 0.00 0.00 61.98 61.37 1qvg s VAL 43 Cb -0.23 -2.29 -0.07 0.00 0.00 0.00 0.00 36.38 33.80 1qvg s VAL 43 CO -0.06 0.51 0.68 0.20 0.00 0.00 0.00 175.10 176.43 1qvg s ASN 44 N 0.54 6.61 0.28 3.32 0.01 -1.26 -0.13 114.94 124.31 1qvg s ASN 44 Ca -0.08 1.07 -0.01 0.00 -0.71 0.00 0.00 52.86 53.13 1qvg s ASN 44 Cb -0.16 -2.29 0.64 0.00 0.41 0.00 0.00 41.25 39.85 1qvg s ASN 44 CO 0.04 -0.24 1.63 -0.07 -1.51 0.00 0.00 177.10 176.95 1qvg h LEU 45 N 1.91 -0.17 -1.26 0.60 3.38 -1.10 -1.23 115.31 117.44 1qvg h LEU 45 Ca -0.47 0.21 0.41 0.00 0.09 0.00 0.00 57.88 58.11 1qvg h LEU 45 Cb 1.18 0.32 -0.14 0.00 0.09 0.00 0.00 40.66 42.11 1qvg h LEU 45 CO 0.66 -0.19 0.74 1.23 0.09 0.00 0.00 178.44 180.97 1qvg h GLY 46 N 0.15 1.60 0.08 0.83 0.00 -1.72 -0.17 103.07 103.85 1qvg h GLY 46 Ca 0.52 -0.15 -0.00 0.00 0.00 0.00 0.00 47.33 47.70 1qvg h GLY 46 CO -0.70 -0.48 -0.01 -0.09 0.00 0.00 0.00 176.54 175.27 1qvg h ARG 47 N 0.13 -0.02 -0.45 4.80 2.43 -1.54 -3.05 114.38 116.68 1qvg h ARG 47 Ca 0.80 0.00 0.09 0.00 -0.81 0.00 0.00 59.98 60.06 1qvg h ARG 47 Cb 2.32 0.00 -0.10 0.00 -0.42 0.00 0.00 29.97 31.78 1qvg h ARG 47 CO -0.51 0.74 -0.23 0.82 -1.51 0.00 0.00 179.97 179.28 1qvg h ILE 48 N -0.94 0.35 -0.82 1.20 2.04 -1.17 0.24 117.51 118.41 1qvg h ILE 48 Ca -0.00 0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.04 1qvg h ILE 48 Cb 0.77 0.35 -0.11 0.00 -0.74 0.00 0.00 36.82 37.09 1qvg h ILE 48 CO 0.00 0.00 0.32 -0.08 0.00 0.00 0.00 178.15 178.39 1qvg h GLU 49 N -0.13 0.39 -0.10 2.37 4.57 -1.20 0.00 114.58 120.48 1qvg h GLU 49 Ca 0.21 -0.02 -0.06 0.00 -1.18 0.00 0.00 59.36 58.31 1qvg h GLU 49 Cb 0.47 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.96 1qvg h GLU 49 CO -0.53 0.26 -0.22 -0.09 -1.18 0.00 0.00 179.01 177.24 1qvg h ARG 50 N 0.40 0.17 0.00 1.92 2.43 -0.42 -3.34 114.38 115.54 1qvg h ARG 50 Ca 0.48 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.60 1qvg h ARG 50 Cb 0.82 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.35 1qvg h ARG 50 CO -0.48 0.39 0.00 0.66 -1.51 0.00 0.00 179.97 179.03 1qvg n TYR 51 N -4.21 0.00 -2.46 2.20 4.02 -0.78 -5.06 117.16 110.88 1qvg n TYR 51 Ca -0.01 -0.18 -0.23 0.00 -0.01 0.00 0.00 57.90 57.46 1qvg n TYR 51 Cb 0.32 -0.02 0.05 0.00 -0.02 0.00 0.00 39.34 39.68 1qvg n TYR 51 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1qvg s ALA 52 N -0.36 3.58 -0.18 -0.72 0.00 -0.08 -5.08 121.76 118.92 1qvg s ALA 52 Ca 0.00 -1.18 -0.13 0.00 0.00 0.00 0.00 51.96 50.65 1qvg s ALA 52 Cb 0.00 -2.29 0.05 0.00 0.00 0.00 0.00 23.12 20.88 1qvg s ALA 52 CO 0.00 -1.01 0.45 1.14 0.00 0.00 0.00 175.76 176.34 1qvg s GLN 53 N -4.98 0.48 0.52 0.00 -2.07 -1.26 -5.00 119.66 107.35 1qvg s GLN 53 Ca 0.59 0.74 -0.19 0.00 -1.82 0.00 0.00 55.36 54.68 1qvg s GLN 53 Cb -0.10 0.12 -0.11 0.00 -1.09 0.00 0.00 33.01 31.83 1qvg s GLN 53 CO 0.41 -0.11 0.34 0.39 -1.32 0.00 0.00 175.29 175.01 1qvg n GLU 54 N 3.57 0.37 -1.15 9.60 1.02 -1.26 -2.20 120.64 130.59 1qvg n GLU 54 Ca -0.18 0.14 -0.05 0.00 -0.02 0.00 0.00 57.16 57.05 1qvg n GLU 54 Cb 0.56 -1.45 -0.02 0.00 -0.02 0.00 0.00 31.44 30.51 1qvg n GLU 54 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1qvg n ASP 55 N 1.24 -4.98 -3.75 1.62 8.00 -1.26 -4.94 116.55 112.48 1qvg n ASP 55 Ca 0.11 0.13 -0.29 0.00 0.71 0.00 0.00 54.79 55.44 1qvg n ASP 55 Cb 0.46 -2.93 -0.15 0.00 -0.02 0.00 0.00 41.12 38.47 1qvg n ASP 55 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1qvg s GLU 56 N -2.04 0.76 0.03 -1.24 2.12 -0.94 -4.96 118.70 112.43 1qvg s GLU 56 Ca 0.00 -0.96 -0.34 0.00 0.36 0.00 0.00 54.97 54.03 1qvg s GLU 56 Cb 0.00 -2.05 -0.13 0.00 0.26 0.00 0.00 34.13 32.22 1qvg s GLU 56 CO 0.00 -0.91 1.74 2.41 -0.54 0.00 0.00 175.26 177.97 1qvg n THR 57 N 4.87 0.32 -2.94 -1.70 -1.04 -1.01 -4.56 114.28 108.22 1qvg n THR 57 Ca -0.04 -0.06 -0.41 0.00 -2.04 0.00 0.00 64.05 61.50 1qvg n THR 57 Cb 0.43 -1.72 -0.05 0.00 -1.82 0.00 0.00 70.33 67.17 1qvg n THR 57 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1qvg s VAL 58 N 2.64 4.87 -0.36 12.58 1.01 0.85 -0.73 120.40 141.26 1qvg s VAL 58 Ca 0.86 1.48 -0.09 0.00 0.00 0.00 0.00 61.98 64.23 1qvg s VAL 58 Cb -0.69 -4.08 0.03 0.00 0.00 0.00 0.00 36.38 31.65 1qvg s VAL 58 CO 0.45 -0.04 0.16 -0.69 0.00 0.00 0.00 175.10 174.98 1qvg s VAL 59 N 2.72 4.23 -0.45 2.92 1.01 0.36 -0.69 120.40 130.50 1qvg s VAL 59 Ca 0.33 -1.00 -0.15 0.00 0.00 0.00 0.00 61.98 61.17 1qvg s VAL 59 Cb -0.15 -3.38 0.06 0.00 0.00 0.00 0.00 36.38 32.90 1qvg s VAL 59 CO 0.08 -0.22 0.36 -0.69 0.00 0.00 0.00 175.10 174.62 1qvg s VAL 60 N 1.48 5.17 -0.30 2.92 1.01 -0.49 -1.65 120.40 128.55 1qvg s VAL 60 Ca 0.00 -0.97 -0.04 0.00 0.00 0.00 0.00 61.98 60.98 1qvg s VAL 60 Cb -0.19 -4.03 -0.10 0.00 0.00 0.00 0.00 36.38 32.06 1qvg s VAL 60 CO 0.05 -0.49 1.97 -0.81 0.00 0.00 0.00 175.10 175.81 1qvg n PRO 61 N 5.17 1.27 0.00 2.72 -0.04 -1.26 -3.96 135.00 138.90 1qvg n PRO 61 Ca -0.12 -0.80 0.00 0.00 -0.04 0.00 0.00 63.50 62.54 1qvg n PRO 61 Cb 0.45 -1.99 0.00 0.00 -0.04 0.00 0.00 33.50 31.92 1qvg n PRO 61 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1qvg n GLY 62 N 3.16 0.17 3.17 0.55 0.00 -1.26 -2.80 105.19 108.19 1qvg n GLY 62 Ca 0.27 0.42 -0.20 0.00 0.00 0.00 0.00 46.02 46.51 1qvg n GLY 62 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1qvg s LYS 63 N 3.70 0.90 -0.15 1.61 2.20 0.21 -0.09 119.74 128.13 1qvg s LYS 63 Ca 0.00 -0.90 -0.04 0.00 -0.36 0.00 0.00 55.97 54.67 1qvg s LYS 63 Cb 0.00 -0.93 -0.03 0.00 -1.51 0.00 0.00 37.83 35.36 1qvg s LYS 63 CO 0.00 0.22 -0.02 0.08 -0.36 0.00 0.00 175.35 175.27 1qvg s VAL 64 N -1.09 4.07 0.22 4.02 1.01 -0.54 -1.47 120.40 126.63 1qvg s VAL 64 Ca 0.00 -0.30 0.08 0.00 0.00 0.00 0.00 61.98 61.76 1qvg s VAL 64 Cb -0.09 -2.78 -0.04 0.00 0.00 0.00 0.00 36.38 33.47 1qvg s VAL 64 CO 0.02 0.51 0.08 -0.76 0.00 0.00 0.00 175.10 174.94 1qvg s LEU 65 N 0.16 3.49 -0.08 3.92 1.43 0.81 -1.21 118.68 127.20 1qvg s LEU 65 Ca -0.00 -0.39 0.06 0.00 -1.03 0.00 0.00 54.13 52.77 1qvg s LEU 65 Cb -0.13 -2.07 0.31 0.00 0.03 0.00 0.00 46.19 44.33 1qvg s LEU 65 CO 0.02 0.02 1.01 0.61 0.23 0.00 0.00 176.35 178.25 1qvg n GLY 66 N -0.69 1.85 3.75 -3.19 0.00 -1.26 -2.42 105.19 103.23 1qvg n GLY 66 Ca -0.08 -0.35 -0.40 0.00 0.00 0.00 0.00 46.02 45.19 1qvg n GLY 66 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1qvg s SER 67 N -0.39 7.38 0.00 1.61 0.01 -1.26 -4.80 113.70 116.25 1qvg s SER 67 Ca 0.21 1.65 0.00 0.00 1.31 0.00 0.00 55.95 59.12 1qvg s SER 67 Cb 0.15 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.86 1qvg s SER 67 CO 0.07 0.06 0.00 0.61 0.41 0.00 0.00 173.24 174.39 1qvg n GLY 68 N 2.03 0.41 3.38 3.44 0.00 -1.26 -2.28 105.19 110.92 1qvg n GLY 68 Ca -0.02 -2.06 -0.32 0.00 0.00 0.00 0.00 46.02 43.62 1qvg n GLY 68 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qvg s VAL 69 N -1.16 2.54 -0.13 1.61 1.01 -1.26 -4.60 120.40 118.41 1qvg s VAL 69 Ca 0.00 -0.92 0.03 0.00 0.00 0.00 0.00 61.98 61.09 1qvg s VAL 69 Cb 0.00 -1.95 0.01 0.00 0.00 0.00 0.00 36.38 34.44 1qvg s VAL 69 CO 0.00 0.58 -0.23 -0.22 0.00 0.00 0.00 175.10 175.24 1qvg s LEU 70 N -0.58 2.10 -0.08 3.92 2.96 -1.26 -4.42 118.68 121.33 1qvg s LEU 70 Ca 0.08 -0.59 0.02 0.00 -0.22 0.00 0.00 54.13 53.42 1qvg s LEU 70 Cb -0.11 -1.43 -0.06 0.00 0.50 0.00 0.00 46.19 45.09 1qvg s LEU 70 CO 0.00 0.11 -0.05 0.00 -1.32 0.00 0.00 176.35 175.09 1qvg n GLN 71 N 3.89 0.81 -1.64 1.98 6.02 -1.26 -4.84 117.38 122.34 1qvg n GLN 71 Ca -0.20 0.04 -0.38 0.00 -0.01 0.00 0.00 57.00 56.44 1qvg n GLN 71 Cb 0.52 -1.16 0.04 0.00 1.02 0.00 0.00 30.24 30.66 1qvg n GLN 71 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1qvg n LYS 72 N -2.62 1.11 -2.54 -1.09 5.02 -1.26 -4.89 118.16 111.88 1qvg n LYS 72 Ca -0.13 0.42 -0.42 0.00 -2.02 0.00 0.00 58.31 56.15 1qvg n LYS 72 Cb 0.66 -2.22 0.01 0.00 -0.02 0.00 0.00 35.03 33.46 1qvg n LYS 72 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1qvg n ASP 73 N -0.59 6.23 -4.96 4.39 2.03 -1.24 -4.45 116.55 117.96 1qvg n ASP 73 Ca 0.12 -3.28 -0.20 0.00 0.52 0.00 0.00 54.79 51.95 1qvg n ASP 73 Cb 0.45 -1.36 -0.02 0.00 -0.72 0.00 0.00 41.12 39.48 1qvg n ASP 73 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 1qvg s VAL 74 N -1.43 4.74 -0.27 5.18 -7.23 -1.26 -4.66 120.40 115.46 1qvg s VAL 74 Ca 0.39 -1.04 -0.10 0.00 -1.81 0.00 0.00 61.98 59.42 1qvg s VAL 74 Cb 0.10 -3.65 -0.04 0.00 0.56 0.00 0.00 36.38 33.36 1qvg s VAL 74 CO 0.01 -0.27 0.14 -0.89 -0.31 0.00 0.00 175.10 173.79 1qvg s THR 75 N -2.07 4.89 -0.12 5.32 2.01 -1.26 -1.98 115.64 122.42 1qvg s THR 75 Ca 0.38 -0.00 -0.03 0.00 0.31 0.00 0.00 61.69 62.35 1qvg s THR 75 Cb -0.09 -3.33 -0.03 0.00 0.01 0.00 0.00 72.50 69.06 1qvg s THR 75 CO 0.29 0.27 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.78 1qvg s VAL 76 N 1.70 4.10 -0.20 3.82 1.01 -0.49 -0.11 120.40 130.23 1qvg s VAL 76 Ca 0.07 -0.30 0.00 0.00 0.00 0.00 0.00 61.98 61.74 1qvg s VAL 76 Cb -0.16 -2.76 0.05 0.00 0.00 0.00 0.00 36.38 33.51 1qvg s VAL 76 CO 0.08 0.54 -0.07 0.00 0.00 0.00 0.00 175.10 175.65 1qvg s ALA 77 N -0.21 1.80 0.45 5.51 0.00 0.13 0.61 121.76 130.05 1qvg s ALA 77 Ca 0.04 -1.12 0.03 0.00 0.00 0.00 0.00 51.96 50.92 1qvg s ALA 77 Cb -0.13 -1.27 -0.01 0.00 0.00 0.00 0.00 23.12 21.71 1qvg s ALA 77 CO 0.02 -0.93 0.11 0.00 0.00 0.00 0.00 175.76 174.97 1qvg n ALA 78 N 4.75 0.56 0.10 0.00 0.00 -1.14 -1.39 120.51 123.39 1qvg n ALA 78 Ca -0.13 -2.21 -0.15 0.00 0.00 0.00 0.00 53.44 50.95 1qvg n ALA 78 Cb 0.46 1.42 -0.14 0.00 0.00 0.00 0.00 19.45 21.19 1qvg n ALA 78 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1qvg h VAL 79 N 1.60 1.51 -1.94 0.00 2.07 -0.62 -2.70 116.25 116.17 1qvg h VAL 79 Ca -0.36 -3.10 0.04 0.00 0.82 0.00 0.00 66.70 64.10 1qvg h VAL 79 Cb 1.28 2.93 -0.19 0.00 -1.52 0.00 0.00 31.29 33.79 1qvg h VAL 79 CO 0.57 0.90 0.40 -0.62 0.02 0.00 0.00 177.57 178.85 1qvg s ASP 80 N -7.09 -0.47 0.04 0.57 2.15 -1.17 -4.84 116.67 105.86 1qvg s ASP 80 Ca -0.04 0.39 0.07 0.00 0.43 0.00 0.00 52.55 53.41 1qvg s ASP 80 Cb 0.07 0.41 -0.02 0.00 -0.30 0.00 0.00 42.92 43.08 1qvg s ASP 80 CO 0.88 -0.52 -0.20 -0.36 -0.17 0.00 0.00 175.17 174.79 1qvg s PHE 81 N -1.72 1.74 0.91 -5.34 0.40 -1.26 -1.46 117.98 111.25 1qvg s PHE 81 Ca -0.03 -0.37 -0.11 0.00 -0.60 0.00 0.00 56.93 55.82 1qvg s PHE 81 Cb -0.00 -1.03 0.14 0.00 0.51 0.00 0.00 43.02 42.63 1qvg s PHE 81 CO 0.01 0.08 1.10 -1.54 0.70 0.00 0.00 175.22 175.58 1qvg s SER 82 N -1.17 3.20 0.39 1.36 1.04 -0.35 -4.76 113.70 113.42 1qvg s SER 82 Ca 0.07 1.82 0.06 0.00 0.48 0.00 0.00 55.95 58.37 1qvg s SER 82 Cb -0.09 -2.41 0.78 0.00 0.10 0.00 0.00 66.02 64.40 1qvg s SER 82 CO 0.02 -2.86 2.02 1.23 0.98 0.00 0.00 173.24 174.63 1qvg h GLY 83 N -1.70 0.62 1.60 7.32 0.00 -2.00 -2.23 103.07 106.67 1qvg h GLY 83 Ca -0.47 -0.25 -0.15 0.00 0.00 0.00 0.00 47.33 46.45 1qvg h GLY 83 CO 0.49 0.24 -0.57 -0.84 0.00 0.00 0.00 176.54 175.86 1qvg h THR 84 N 0.59 1.35 -0.03 4.70 2.02 -1.95 -2.57 112.91 117.01 1qvg h THR 84 Ca 0.15 -1.86 -0.00 0.00 0.77 0.00 0.00 66.41 65.47 1qvg h THR 84 Cb -0.00 1.87 -0.00 0.00 -1.74 0.00 0.00 68.15 68.27 1qvg h THR 84 CO -0.03 0.57 0.00 0.00 0.37 0.00 0.00 175.52 176.43 1qvg h ALA 85 N 1.07 0.04 -0.15 6.16 0.00 -1.72 0.01 119.26 124.67 1qvg h ALA 85 Ca 0.00 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 1qvg h ALA 85 Cb 1.09 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1qvg h ALA 85 CO 0.10 -0.29 -0.07 1.49 0.00 0.00 0.00 179.25 180.48 1qvg h GLU 86 N -0.24 0.22 -0.03 0.00 4.81 -1.44 -0.60 114.58 117.29 1qvg h GLU 86 Ca 0.01 -0.04 -0.10 0.00 -0.13 0.00 0.00 59.36 59.10 1qvg h GLU 86 Cb 0.32 -0.04 0.01 0.00 0.63 0.00 0.00 28.75 29.67 1qvg h GLU 86 CO 0.00 0.31 -0.37 1.15 -0.73 0.00 0.00 179.01 179.37 1qvg h THR 87 N 0.21 1.46 0.00 0.32 2.02 -1.34 -2.32 112.91 113.26 1qvg h THR 87 Ca 0.05 -1.87 -0.06 0.00 0.77 0.00 0.00 66.41 65.30 1qvg h THR 87 Cb 0.27 2.51 -0.01 0.00 -1.74 0.00 0.00 68.15 69.18 1qvg h THR 87 CO 0.01 0.53 -0.27 0.11 0.37 0.00 0.00 175.52 176.28 1qvg h LYS 88 N -0.24 0.00 0.12 6.66 1.57 -0.75 -3.18 116.57 120.75 1qvg h LYS 88 Ca -0.04 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.56 1qvg h LYS 88 Cb 1.06 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.39 1qvg h LYS 88 CO 0.07 0.27 -0.81 0.82 -0.57 0.00 0.00 179.45 179.23 1qvg h ILE 89 N 0.00 1.48 0.00 1.86 2.04 -1.14 -3.26 117.51 118.50 1qvg h ILE 89 Ca -0.00 -2.50 0.00 0.00 1.00 0.00 0.00 64.86 63.36 1qvg h ILE 89 Cb 0.49 3.15 0.00 0.00 -0.74 0.00 0.00 36.82 39.73 1qvg h ILE 89 CO 0.03 0.70 0.00 0.47 0.00 0.00 0.00 178.15 179.35 1qvg n ASP 90 N -4.15 0.05 0.04 1.72 8.00 -0.88 0.34 116.55 121.67 1qvg n ASP 90 Ca -0.15 0.52 -0.17 0.00 0.71 0.00 0.00 54.79 55.71 1qvg n ASP 90 Cb 0.80 -0.53 -0.07 0.00 -0.02 0.00 0.00 41.12 41.30 1qvg n ASP 90 CO 0.00 0.00 0.00 1.56 -0.39 0.00 0.00 177.20 178.37 1qvg h GLN 91 N 0.00 0.59 -0.00 -1.24 4.20 -1.59 -3.37 115.11 113.70 1qvg h GLN 91 Ca 0.00 -0.60 0.00 0.00 0.06 0.00 0.00 58.65 58.11 1qvg h GLN 91 Cb 0.06 0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.00 1qvg h GLN 91 CO 0.00 1.21 -0.04 1.33 -0.67 0.00 0.00 178.83 180.66 1qvg n VAL 92 N -3.83 0.00 0.00 -0.54 0.24 -0.58 -5.08 118.33 108.54 1qvg n VAL 92 Ca -0.08 -0.48 0.00 0.00 -2.04 0.00 0.00 64.34 61.74 1qvg n VAL 92 Cb 0.83 1.02 0.00 0.00 -1.47 0.00 0.00 33.84 34.22 1qvg n VAL 92 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1qvg n GLY 93 N 0.61 3.31 3.20 7.63 0.00 0.15 -3.62 105.19 116.47 1qvg n GLY 93 Ca 0.01 -0.07 -0.11 0.00 0.00 0.00 0.00 46.02 45.85 1qvg n GLY 93 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1qvg s GLU 94 N 4.03 0.31 -0.29 1.61 2.12 -0.84 -4.41 118.70 121.24 1qvg s GLU 94 Ca 0.00 0.79 -0.17 0.00 0.36 0.00 0.00 54.97 55.95 1qvg s GLU 94 Cb 0.00 0.03 -0.02 0.00 0.26 0.00 0.00 34.13 34.40 1qvg s GLU 94 CO 0.00 -0.19 0.47 0.00 -0.54 0.00 0.00 175.26 175.00 1qvg s ALA 95 N 1.76 3.55 0.07 6.30 0.00 -1.26 -1.40 121.76 130.77 1qvg s ALA 95 Ca -0.07 -0.77 0.08 0.00 0.00 0.00 0.00 51.96 51.21 1qvg s ALA 95 Cb -0.10 -2.87 -0.03 0.00 0.00 0.00 0.00 23.12 20.12 1qvg s ALA 95 CO -0.11 -0.84 -0.23 0.08 0.00 0.00 0.00 175.76 174.66 1qvg s VAL 96 N 2.26 1.85 0.45 0.00 1.01 0.20 -4.97 120.40 121.20 1qvg s VAL 96 Ca 0.19 -1.37 -0.22 0.00 0.00 0.00 0.00 61.98 60.57 1qvg s VAL 96 Cb -0.16 -1.62 -0.09 0.00 0.00 0.00 0.00 36.38 34.52 1qvg s VAL 96 CO 0.10 0.17 1.05 -0.94 0.00 0.00 0.00 175.10 175.49 1qvg s SER 97 N -1.44 6.49 0.47 3.32 1.04 -1.26 -2.88 113.70 119.44 1qvg s SER 97 Ca 0.09 2.00 0.19 0.00 0.48 0.00 0.00 55.95 58.72 1qvg s SER 97 Cb -0.09 -2.57 1.16 0.00 0.10 0.00 0.00 66.02 64.61 1qvg s SER 97 CO 0.03 -0.68 2.01 0.25 0.98 0.00 0.00 173.24 175.83 1qvg h LEU 98 N 1.98 0.00 -1.34 2.42 5.85 -1.80 0.30 115.31 122.72 1qvg h LEU 98 Ca -0.49 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.16 1qvg h LEU 98 Cb 1.22 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.24 1qvg h LEU 98 CO 0.60 0.18 -0.31 -0.33 -0.34 0.00 0.00 178.44 178.24 1qvg h GLU 99 N 0.00 0.00 0.16 1.25 3.07 -1.91 -1.07 114.58 116.08 1qvg h GLU 99 Ca -0.00 0.00 -0.22 0.00 -0.50 0.00 0.00 59.36 58.64 1qvg h GLU 99 Cb 0.36 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 28.29 1qvg h GLU 99 CO 0.02 0.31 -0.98 1.96 -1.40 0.00 0.00 179.01 178.92 1qvg h GLN 100 N 0.00 0.33 -0.51 2.33 4.20 -1.37 -3.13 115.11 116.97 1qvg h GLN 100 Ca -0.00 -0.57 0.08 0.00 0.06 0.00 0.00 58.65 58.22 1qvg h GLN 100 Cb 0.64 0.21 -0.06 0.00 0.30 0.00 0.00 27.48 28.56 1qvg h GLN 100 CO 0.04 1.27 0.15 0.00 -0.67 0.00 0.00 178.83 179.62 1qvg h ALA 101 N 0.08 0.60 -0.56 3.87 0.00 -0.92 0.74 119.26 123.07 1qvg h ALA 101 Ca -0.18 0.09 0.09 0.00 0.00 0.00 0.00 54.91 54.90 1qvg h ALA 101 Cb 1.74 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 19.59 1qvg h ALA 101 CO 0.16 -0.26 0.37 0.82 0.00 0.00 0.00 179.25 180.35 1qvg h ILE 102 N 0.30 0.92 0.17 0.00 2.04 -1.27 0.76 117.51 120.43 1qvg h ILE 102 Ca 0.25 -0.14 -0.34 0.00 1.00 0.00 0.00 64.86 65.63 1qvg h ILE 102 Cb 0.31 0.48 0.01 0.00 -0.74 0.00 0.00 36.82 36.88 1qvg h ILE 102 CO -0.29 0.07 -1.69 -0.08 0.00 0.00 0.00 178.15 176.16 1qvg h GLU 103 N 0.40 0.37 0.00 2.37 4.81 -1.07 -2.81 114.58 118.64 1qvg h GLU 103 Ca 0.25 -0.63 -0.04 0.00 -0.13 0.00 0.00 59.36 58.81 1qvg h GLU 103 Cb 0.47 0.23 -0.01 0.00 0.63 0.00 0.00 28.75 30.08 1qvg h GLU 103 CO -0.07 1.27 -0.19 -0.91 -0.73 0.00 0.00 179.01 178.39 1qvg h ASN 104 N 0.10 0.00 -1.26 1.04 2.35 -0.72 -3.38 115.58 113.71 1qvg h ASN 104 Ca -0.32 0.00 -0.41 0.00 -0.55 0.00 0.00 56.30 55.03 1qvg h ASN 104 Cb 2.09 0.00 -0.28 0.00 0.05 0.00 0.00 38.32 40.18 1qvg h ASN 104 CO 0.18 0.19 -0.82 -3.20 -1.65 0.00 0.00 177.43 172.13 1qvg n ASN 105 N -3.21 -1.34 0.31 5.81 5.15 0.24 -4.97 115.26 117.25 1qvg n ASN 105 Ca 0.02 -2.88 0.20 0.00 -0.60 0.00 0.00 54.58 51.32 1qvg n ASN 105 Cb 0.51 0.46 0.96 0.00 -0.53 0.00 0.00 39.78 41.19 1qvg n ASN 105 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1qvg h PRO 106 N 4.32 0.00 0.00 1.20 0.13 -1.68 -2.04 132.00 133.93 1qvg h PRO 106 Ca 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 1qvg h PRO 106 Cb 0.96 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.09 1qvg h PRO 106 CO 0.36 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.52 1qvg n GLU 107 N -3.10 0.71 -3.97 0.86 4.71 -1.26 -3.87 120.64 114.71 1qvg n GLU 107 Ca -0.01 0.01 -0.41 0.00 -0.01 0.00 0.00 57.16 56.74 1qvg n GLU 107 Cb 0.18 -1.50 0.02 0.00 -1.01 0.00 0.00 31.44 29.13 1qvg n GLU 107 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1qvg n GLY 108 N 0.87 -0.82 3.58 0.62 0.00 -0.77 -3.83 105.19 104.84 1qvg n GLY 108 Ca 0.18 0.36 -0.28 0.00 0.00 0.00 0.00 46.02 46.28 1qvg n GLY 108 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1qvg s SER 109 N -3.59 4.33 -1.00 1.61 1.04 -1.26 -4.69 113.70 110.15 1qvg s SER 109 Ca 0.44 -0.47 -0.14 0.00 0.48 0.00 0.00 55.95 56.27 1qvg s SER 109 Cb -0.22 -0.79 -0.00 0.00 0.10 0.00 0.00 66.02 65.12 1qvg s SER 109 CO 0.94 0.14 0.73 1.41 0.98 0.00 0.00 173.24 177.44 1qvg n HIS 110 N 0.39 -2.09 -4.16 5.02 8.25 -1.26 -4.85 115.22 116.52 1qvg n HIS 110 Ca -0.12 0.63 -0.16 0.00 -0.26 0.00 0.00 57.72 57.81 1qvg n HIS 110 Cb 0.54 -3.35 -0.14 0.00 1.12 0.00 0.00 29.99 28.15 1qvg n HIS 110 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1qvg s VAL 111 N -3.28 0.43 -0.17 1.59 0.11 -1.26 -2.40 120.40 115.42 1qvg s VAL 111 Ca 0.29 -0.27 0.01 0.00 -2.93 0.00 0.00 61.98 59.08 1qvg s VAL 111 Cb -0.11 -0.37 0.02 0.00 -1.53 0.00 0.00 36.38 34.39 1qvg s VAL 111 CO 0.86 0.10 -0.20 -0.60 -3.33 0.00 0.00 175.10 171.93 1qvg s ARG 112 N -0.19 2.96 -0.10 1.54 6.06 0.09 -4.95 118.95 124.36 1qvg s ARG 112 Ca 0.02 -0.82 -0.27 0.00 -2.50 0.00 0.00 55.73 52.16 1qvg s ARG 112 Cb -0.02 -2.53 -0.02 0.00 0.06 0.00 0.00 34.95 32.43 1qvg s ARG 112 CO -0.00 -0.19 0.87 0.08 -2.50 0.00 0.00 175.30 173.56 1qvg s VAL 113 N 1.24 4.90 -0.06 7.11 1.01 -1.26 -0.49 120.40 132.85 1qvg s VAL 113 Ca 0.03 1.76 0.02 0.00 0.00 0.00 0.00 61.98 63.79 1qvg s VAL 113 Cb -0.13 -4.19 0.02 0.00 0.00 0.00 0.00 36.38 32.07 1qvg s VAL 113 CO -0.12 0.10 -0.10 -0.63 0.00 0.00 0.00 175.10 174.36 1qvg s ILE 114 N 1.58 0.94 0.00 2.22 -1.09 -0.66 -4.92 121.20 119.27 1qvg s ILE 114 Ca 0.43 -0.36 0.00 0.00 -2.23 0.00 0.00 60.65 58.48 1qvg s ILE 114 Cb -0.18 -0.88 0.00 0.00 -1.58 0.00 0.00 42.46 39.82 1qvg s ILE 114 CO 0.18 0.31 0.04 -2.11 -1.23 0.00 0.00 174.94 172.13