#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qvg s GLN 2 N 0.00 3.52 -0.11 3.17 -1.52 -1.26 -1.29 119.66 122.17 1qvg s GLN 2 Ca 0.00 -0.28 -0.05 0.00 -1.95 0.00 0.00 55.36 53.08 1qvg s GLN 2 Cb 0.00 -2.95 0.05 0.00 -0.22 0.00 0.00 33.01 29.88 1qvg s GLN 2 CO 0.00 0.55 0.25 1.41 -0.25 0.00 0.00 175.29 177.24 1qvg s MET 3 N -2.58 0.20 0.34 2.91 -2.45 0.14 -4.89 119.30 112.98 1qvg s MET 3 Ca 0.38 0.54 -0.29 0.00 -1.25 0.00 0.00 55.69 55.07 1qvg s MET 3 Cb -0.13 -0.12 -0.11 0.00 1.25 0.00 0.00 34.83 35.72 1qvg s MET 3 CO 0.26 -0.17 1.53 -1.25 1.05 0.00 0.00 175.02 176.45 1qvg s PRO 4 N 1.31 4.11 0.40 4.11 0.04 -1.26 -0.35 135.00 143.36 1qvg s PRO 4 Ca -0.09 2.58 0.17 0.00 0.04 0.00 0.00 61.00 63.71 1qvg s PRO 4 Cb -0.10 -2.99 0.85 0.00 0.04 0.00 0.00 34.50 32.30 1qvg s PRO 4 CO -0.09 -0.58 1.85 -0.09 0.04 0.00 0.00 177.00 178.13 1qvg h ARG 5 N 3.72 0.00 -4.29 4.56 9.65 -1.76 -3.44 114.38 122.82 1qvg h ARG 5 Ca -0.49 0.00 -0.20 0.00 -1.10 0.00 0.00 59.98 58.18 1qvg h ARG 5 Cb 1.23 0.00 -0.19 0.00 -1.39 0.00 0.00 29.97 29.62 1qvg h ARG 5 CO 0.70 0.33 -0.71 1.03 2.80 0.00 0.00 179.97 184.12 1qvg s ARG 6 N -4.02 0.49 -0.28 0.20 0.52 -1.26 -0.95 118.95 113.65 1qvg s ARG 6 Ca -0.02 -0.84 -0.32 0.00 -0.52 0.00 0.00 55.73 54.03 1qvg s ARG 6 Cb 0.13 -0.04 0.18 0.00 0.52 0.00 0.00 34.95 35.74 1qvg s ARG 6 CO 0.69 -0.02 1.35 -0.59 0.02 0.00 0.00 175.30 176.75 1qvg s PHE 7 N -2.07 -0.04 0.43 -0.53 -0.12 -0.78 -4.98 117.98 109.89 1qvg s PHE 7 Ca -0.07 0.05 -0.23 0.00 -0.05 0.00 0.00 56.93 56.63 1qvg s PHE 7 Cb -0.05 0.50 -0.09 0.00 -0.63 0.00 0.00 43.02 42.75 1qvg s PHE 7 CO -0.02 -0.04 1.05 -0.80 -0.05 0.00 0.00 175.22 175.35 1qvg s ASN 8 N -1.39 6.62 0.00 1.98 0.01 -1.26 -1.32 114.94 119.58 1qvg s ASN 8 Ca 0.10 2.01 0.00 0.00 -0.71 0.00 0.00 52.86 54.26 1qvg s ASN 8 Cb -0.01 -2.58 0.00 0.00 0.41 0.00 0.00 41.25 39.07 1qvg s ASN 8 CO -0.06 -0.59 0.00 1.07 -1.51 0.00 0.00 177.10 176.01 1qvg n THR 9 N -0.35 0.00 -1.82 1.60 5.66 -0.85 -4.90 114.28 113.61 1qvg n THR 9 Ca 0.06 0.00 -0.41 0.00 -3.05 0.00 0.00 64.05 60.65 1qvg n THR 9 Cb 0.50 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 69.27 1qvg n THR 9 CO 0.00 0.00 0.00 -0.47 -3.05 0.00 0.00 175.07 171.55 1qvg s TYR 10 N -2.00 2.75 -0.27 1.09 5.04 -1.26 -2.13 117.35 120.57 1qvg s TYR 10 Ca 0.00 0.93 -0.02 0.00 -2.44 0.00 0.00 57.07 55.54 1qvg s TYR 10 Cb 0.00 -4.02 0.03 0.00 0.35 0.00 0.00 41.96 38.33 1qvg s TYR 10 CO 0.00 -3.27 -0.03 0.00 -1.34 0.00 0.00 175.55 170.91 1qvg h PRO 12 N 8.03 0.00 0.00 0.00 0.13 -1.94 0.44 132.00 138.66 1qvg h PRO 12 Ca -0.29 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.84 1qvg h PRO 12 Cb 1.10 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.23 1qvg h PRO 12 CO 0.56 0.00 -0.28 0.45 -0.23 0.00 0.00 178.00 178.50 1qvg h HIS 13 N 0.00 0.00 -0.27 1.56 3.86 -1.94 -3.35 115.15 115.01 1qvg h HIS 13 Ca -0.00 0.00 0.03 0.00 -1.16 0.00 0.00 60.37 59.24 1qvg h HIS 13 Cb 0.00 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.46 1qvg h HIS 13 CO 0.00 0.01 0.19 0.00 0.86 0.00 0.00 177.93 178.99 1qvg n ASN 15 N -4.49 -3.79 -3.59 0.00 2.85 0.15 -5.01 115.26 101.38 1qvg n ASN 15 Ca 0.02 -0.16 -0.09 0.00 -0.11 0.00 0.00 54.58 54.24 1qvg n ASN 15 Cb 0.17 -2.62 -0.05 0.00 1.24 0.00 0.00 39.78 38.52 1qvg n ASN 15 CO 0.00 0.00 0.00 -1.83 -2.11 0.00 0.00 177.26 173.32 1qvg s GLU 16 N -5.19 0.51 0.30 1.20 -1.05 -1.20 -4.98 118.70 108.29 1qvg s GLU 16 Ca 0.17 0.19 -0.30 0.00 -0.15 0.00 0.00 54.97 54.89 1qvg s GLU 16 Cb -0.08 0.24 -0.12 0.00 -0.44 0.00 0.00 34.13 33.74 1qvg s GLU 16 CO 0.21 -0.15 1.52 0.72 0.95 0.00 0.00 175.26 178.51 1qvg n HIS 17 N 0.94 2.69 -3.67 4.83 8.25 -1.26 -3.37 115.22 123.62 1qvg n HIS 17 Ca -0.10 0.35 -0.09 0.00 -0.26 0.00 0.00 57.72 57.62 1qvg n HIS 17 Cb 0.58 -2.54 -0.02 0.00 1.12 0.00 0.00 29.99 29.12 1qvg n HIS 17 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1qvg s GLN 18 N -0.86 1.54 -0.06 -0.41 -0.21 -0.90 -4.92 119.66 113.85 1qvg s GLN 18 Ca 0.62 -0.77 -0.30 0.00 0.02 0.00 0.00 55.36 54.94 1qvg s GLN 18 Cb -0.53 0.59 -0.04 0.00 1.00 0.00 0.00 33.01 34.03 1qvg s GLN 18 CO 0.52 -0.69 1.37 -2.00 -2.12 0.00 0.00 175.29 172.37 1qvg s GLU 19 N -3.85 4.27 0.20 2.91 2.12 -1.26 -2.01 118.70 121.07 1qvg s GLU 19 Ca 0.07 1.87 0.07 0.00 0.36 0.00 0.00 54.97 57.35 1qvg s GLU 19 Cb -0.03 -3.67 -0.04 0.00 0.26 0.00 0.00 34.13 30.64 1qvg s GLU 19 CO -0.02 -0.62 0.03 -1.01 -0.54 0.00 0.00 175.26 173.09 1qvg s HIS 20 N 2.85 2.86 -0.12 5.30 3.76 -0.43 -0.28 115.29 129.24 1qvg s HIS 20 Ca 0.62 -0.14 0.02 0.00 -0.15 0.00 0.00 55.06 55.41 1qvg s HIS 20 Cb -0.28 -1.36 -0.00 0.00 1.11 0.00 0.00 32.58 32.05 1qvg s HIS 20 CO 0.23 0.54 -0.20 -2.00 -0.85 0.00 0.00 174.74 172.46 1qvg s GLU 21 N -3.15 3.13 -0.12 1.40 2.12 0.49 -1.86 118.70 120.71 1qvg s GLU 21 Ca 0.29 -0.82 -0.13 0.00 0.36 0.00 0.00 54.97 54.67 1qvg s GLU 21 Cb -0.09 -2.44 -0.05 0.00 0.26 0.00 0.00 34.13 31.82 1qvg s GLU 21 CO 0.20 0.12 0.30 0.08 -0.54 0.00 0.00 175.26 175.42 1qvg s VAL 22 N 0.51 5.27 0.02 3.70 1.01 -0.12 -0.35 120.40 130.43 1qvg s VAL 22 Ca -0.13 0.58 0.00 0.00 0.00 0.00 0.00 61.98 62.43 1qvg s VAL 22 Cb -0.17 -3.62 -0.02 0.00 0.00 0.00 0.00 36.38 32.57 1qvg s VAL 22 CO 0.05 0.46 -0.03 -0.70 0.00 0.00 0.00 175.10 174.87 1qvg s GLU 23 N -0.07 0.30 -0.14 2.72 2.12 -0.79 -4.91 118.70 117.94 1qvg s GLU 23 Ca 0.18 -0.52 -0.29 0.00 0.36 0.00 0.00 54.97 54.70 1qvg s GLU 23 Cb -0.14 0.00 -0.01 0.00 0.26 0.00 0.00 34.13 34.25 1qvg s GLU 23 CO 0.06 -0.02 0.99 0.15 -0.54 0.00 0.00 175.26 175.90 1qvg s LYS 24 N -1.20 4.37 -0.25 4.30 1.02 -1.26 -0.21 119.74 126.51 1qvg s LYS 24 Ca -0.12 1.33 -0.32 0.00 0.02 0.00 0.00 55.97 56.88 1qvg s LYS 24 Cb -0.08 -3.56 -0.08 0.00 -0.52 0.00 0.00 37.83 33.58 1qvg s LYS 24 CO -0.01 -0.37 2.17 0.28 -0.92 0.00 0.00 175.35 176.50 1qvg n VAL 25 N 4.72 0.32 -2.64 3.17 0.31 -0.74 -4.91 118.33 118.55 1qvg n VAL 25 Ca 0.09 -0.34 -0.41 0.00 -0.01 0.00 0.00 64.34 63.67 1qvg n VAL 25 Cb 0.48 -2.12 -0.05 0.00 -0.91 0.00 0.00 33.84 31.25 1qvg n VAL 25 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 1qvg s ARG 26 N 6.02 4.69 -0.03 5.55 0.52 -1.26 -4.97 118.95 129.47 1qvg s ARG 26 Ca 1.03 1.58 -0.30 0.00 -0.52 0.00 0.00 55.73 57.52 1qvg s ARG 26 Cb -0.59 -3.31 -0.06 0.00 0.52 0.00 0.00 34.95 31.52 1qvg s ARG 26 CO 0.43 0.22 1.61 -1.12 0.02 0.00 0.00 175.30 176.45 1qvg s SER 27 N -0.31 6.69 0.91 0.23 0.01 -1.26 -5.00 113.70 114.98 1qvg s SER 27 Ca 0.47 2.24 -0.12 0.00 1.31 0.00 0.00 55.95 59.85 1qvg s SER 27 Cb -0.27 -2.54 0.14 0.00 0.21 0.00 0.00 66.02 63.56 1qvg s SER 27 CO 0.33 -0.89 1.09 -0.83 0.41 0.00 0.00 173.24 173.35 1qvg s GLY 28 N 2.97 1.61 0.13 3.44 0.00 -1.26 -5.04 107.32 109.17 1qvg s GLY 28 Ca 0.72 -0.12 0.04 0.00 0.00 0.00 0.00 44.72 45.35 1qvg s GLY 28 CO 0.29 0.39 0.16 -1.60 0.00 0.00 0.00 173.10 172.34 1qvg s ARG 29 N -4.94 3.06 0.30 2.90 3.52 -1.26 -5.11 118.95 117.43 1qvg s ARG 29 Ca 0.64 -0.73 -0.10 0.00 -0.13 0.00 0.00 55.73 55.41 1qvg s ARG 29 Cb -0.18 -2.77 -0.07 0.00 -1.56 0.00 0.00 34.95 30.37 1qvg s ARG 29 CO 0.57 0.52 0.63 -0.65 -0.81 0.00 0.00 175.30 175.57 1qvg s GLN 30 N -2.91 3.79 -0.02 5.12 -0.21 -1.26 -5.00 119.66 119.17 1qvg s GLN 30 Ca 0.32 0.32 -0.01 0.00 0.02 0.00 0.00 55.36 56.01 1qvg s GLN 30 Cb -0.11 -2.55 -0.27 0.00 1.00 0.00 0.00 33.01 31.09 1qvg s GLN 30 CO 0.25 0.18 0.76 1.79 -2.12 0.00 0.00 175.29 176.14 1qvg h THR 31 N 1.62 1.03 -0.44 -0.19 1.35 -2.03 -3.48 112.91 110.78 1qvg h THR 31 Ca -0.47 -2.72 -0.06 0.00 -0.55 0.00 0.00 66.41 62.60 1qvg h THR 31 Cb 1.18 2.67 -0.00 0.00 -1.73 0.00 0.00 68.15 70.26 1qvg h THR 31 CO 0.66 0.78 -0.08 0.61 -0.25 0.00 0.00 175.52 177.25 1qvg n GLY 32 N 1.69 0.26 0.00 5.82 0.00 -1.26 -4.91 105.19 106.79 1qvg n GLY 32 Ca -0.19 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.07 1qvg n GLY 32 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1qvg n MET 33 N -1.37 0.53 -1.18 1.61 2.81 -1.26 -4.85 117.12 113.41 1qvg n MET 33 Ca -0.04 -0.61 -0.29 0.00 -1.81 0.00 0.00 57.70 54.95 1qvg n MET 33 Cb 0.51 -0.71 0.19 0.00 -0.71 0.00 0.00 33.22 32.49 1qvg n MET 33 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 1qvg s LYS 34 N -0.24 0.14 0.13 0.03 3.01 -1.26 -4.84 119.74 116.71 1qvg s LYS 34 Ca 0.00 0.38 -0.19 0.00 -1.01 0.00 0.00 55.97 55.15 1qvg s LYS 34 Cb 0.00 -1.71 -0.01 0.00 -1.01 0.00 0.00 37.83 35.09 1qvg s LYS 34 CO 0.00 -2.90 1.74 2.35 0.51 0.00 0.00 175.35 177.05 1qvg h TRP 35 N -2.01 0.08 -0.52 3.18 7.01 -2.00 -1.97 115.95 119.72 1qvg h TRP 35 Ca -0.53 0.01 0.10 0.00 2.11 0.00 0.00 58.89 60.58 1qvg h TRP 35 Cb 1.33 -0.00 -0.03 0.00 -2.10 0.00 0.00 29.16 28.36 1qvg h TRP 35 CO -0.09 0.03 0.36 0.97 -2.79 0.00 0.00 178.44 176.92 1qvg h ILE 36 N 0.14 0.88 -0.23 2.65 6.09 -1.99 -0.57 117.51 124.49 1qvg h ILE 36 Ca 0.11 -0.10 -0.14 0.00 -1.37 0.00 0.00 64.86 63.35 1qvg h ILE 36 Cb 0.10 0.55 -0.01 0.00 0.47 0.00 0.00 36.82 37.94 1qvg h ILE 36 CO -0.14 0.06 -0.43 0.44 -3.07 0.00 0.00 178.15 175.00 1qvg h ASP 37 N 0.30 0.60 -0.31 2.19 3.32 -1.71 -2.45 116.42 118.37 1qvg h ASP 37 Ca 0.24 -0.28 -0.15 0.00 0.02 0.00 0.00 57.03 56.87 1qvg h ASP 37 Cb 0.55 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 39.93 1qvg h ASP 37 CO -0.05 0.95 -0.39 0.03 -1.72 0.00 0.00 179.24 178.06 1qvg h ARG 38 N 0.45 0.80 -0.91 3.56 3.08 -0.89 -2.65 114.38 117.83 1qvg h ARG 38 Ca 0.03 -0.45 -0.01 0.00 0.07 0.00 0.00 59.98 59.62 1qvg h ARG 38 Cb 0.94 0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.98 1qvg h ARG 38 CO 0.08 1.09 0.54 0.37 -1.07 0.00 0.00 179.97 180.98 1qvg h GLN 39 N 0.57 1.24 0.42 0.04 4.15 -1.16 0.50 115.11 120.87 1qvg h GLN 39 Ca 0.04 -0.12 -0.02 0.00 0.77 0.00 0.00 58.65 59.32 1qvg h GLN 39 Cb 0.98 -0.26 0.00 0.00 0.21 0.00 0.00 27.48 28.42 1qvg h GLN 39 CO 0.09 0.87 -0.20 -0.09 -1.93 0.00 0.00 178.83 177.58 1qvg h ARG 40 N 1.26 -0.54 0.33 1.69 2.43 -1.40 0.70 114.38 118.84 1qvg h ARG 40 Ca 0.33 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.53 1qvg h ARG 40 Cb -0.04 0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.60 1qvg h ARG 40 CO -0.06 -0.35 -0.41 0.93 -1.51 0.00 0.00 179.97 178.57 1qvg h GLU 41 N -0.59 -0.76 -0.06 0.20 5.08 -1.07 -1.61 114.58 115.78 1qvg h GLU 41 Ca -0.06 0.05 0.04 0.00 -1.00 0.00 0.00 59.36 58.39 1qvg h GLU 41 Cb 0.45 0.17 -0.06 0.00 0.50 0.00 0.00 28.75 29.81 1qvg h GLU 41 CO 0.09 -0.50 -0.34 -0.09 -1.00 0.00 0.00 179.01 177.17 1qvg h ARG 42 N -0.79 -0.44 0.00 2.33 2.43 0.15 -3.14 114.38 114.93 1qvg h ARG 42 Ca -0.02 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1qvg h ARG 42 Cb 0.73 0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.38 1qvg h ARG 42 CO -0.12 -0.30 0.00 -0.91 -1.51 0.00 0.00 179.97 177.14 1qvg h ASN 43 N -0.46 0.00 -3.47 -3.80 2.35 0.41 -3.45 115.58 107.15 1qvg h ASN 43 Ca 0.07 0.00 -0.52 0.00 -0.55 0.00 0.00 56.30 55.30 1qvg h ASN 43 Cb 0.58 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.94 1qvg h ASN 43 CO -0.32 0.00 0.45 -0.44 -1.65 0.00 0.00 177.43 175.47 1qvg s SER 44 N -5.47 7.31 0.00 5.81 0.01 -0.61 -4.98 113.70 115.76 1qvg s SER 44 Ca 0.06 1.94 0.00 0.00 1.31 0.00 0.00 55.95 59.26 1qvg s SER 44 Cb 0.08 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.72 1qvg s SER 44 CO 0.59 -0.23 0.00 0.61 0.41 0.00 0.00 173.24 174.62 1qvg n GLY 45 N 2.44 4.45 3.73 3.44 0.00 -1.26 -5.00 105.19 112.98 1qvg n GLY 45 Ca 0.04 -0.94 -0.42 0.00 0.00 0.00 0.00 46.02 44.70 1qvg n GLY 45 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qvg s ILE 46 N -0.51 2.47 0.00 -0.61 1.01 -1.26 -4.75 121.20 117.55 1qvg s ILE 46 Ca 0.00 0.35 0.00 0.00 0.00 0.00 0.00 60.65 61.00 1qvg s ILE 46 Cb 0.00 -3.22 0.00 0.00 0.01 0.00 0.00 42.46 39.25 1qvg s ILE 46 CO 0.00 0.03 0.00 0.61 0.00 0.00 0.00 174.94 175.58 1qvg n GLY 47 N 3.41 -2.35 3.61 6.18 0.00 -1.26 -4.89 105.19 109.89 1qvg n GLY 47 Ca 0.13 -1.58 -0.51 0.00 0.00 0.00 0.00 46.02 44.05 1qvg n GLY 47 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1qvg n ASN 48 N -0.08 1.96 -1.53 1.61 5.15 -1.26 -4.88 115.26 116.23 1qvg n ASN 48 Ca 0.00 1.11 0.01 0.00 -0.60 0.00 0.00 54.58 55.10 1qvg n ASN 48 Cb 0.00 -1.24 0.25 0.00 -0.53 0.00 0.00 39.78 38.26 1qvg n ASN 48 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 1qvg n ASP 49 N 2.76 4.12 0.00 1.20 8.00 -1.26 -4.86 116.55 126.51 1qvg n ASP 49 Ca 0.18 -2.72 0.00 0.00 0.71 0.00 0.00 54.79 52.96 1qvg n ASP 49 Cb 0.21 -0.65 0.00 0.00 -0.02 0.00 0.00 41.12 40.66 1qvg n ASP 49 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1qvg n GLY 50 N 0.24 1.90 0.36 0.44 0.00 -1.26 -3.33 105.19 103.54 1qvg n GLY 50 Ca 0.23 -0.48 0.11 0.00 0.00 0.00 0.00 46.02 45.89 1qvg n GLY 50 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1qvg h LYS 51 N 0.00 0.79 0.00 1.61 2.10 -2.01 -0.90 116.57 118.17 1qvg h LYS 51 Ca 0.00 -0.05 0.00 0.00 -2.00 0.00 0.00 60.65 58.60 1qvg h LYS 51 Cb 0.00 -0.18 0.00 0.00 -0.90 0.00 0.00 32.23 31.15 1qvg h LYS 51 CO 0.00 0.52 0.00 1.19 -2.00 0.00 0.00 179.45 179.16 1qvg n PHE 52 N -4.68 0.00 0.63 0.07 3.01 -1.21 -1.80 117.46 113.48 1qvg n PHE 52 Ca 0.21 0.00 0.07 0.00 1.01 0.00 0.00 57.45 58.74 1qvg n PHE 52 Cb 0.50 -0.03 -0.03 0.00 -0.01 0.00 0.00 39.48 39.91 1qvg n PHE 52 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1qvg n SER 53 N -1.03 1.21 -4.42 4.37 7.64 -0.34 -4.96 113.62 116.09 1qvg n SER 53 Ca 0.10 -1.11 -0.33 0.00 1.01 0.00 0.00 58.87 58.55 1qvg n SER 53 Cb 0.05 0.65 0.12 0.00 -1.01 0.00 0.00 64.21 64.02 1qvg n SER 53 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1qvg n LYS 54 N -0.55 -0.32 -3.21 1.43 5.02 -0.75 -4.98 118.16 114.80 1qvg n LYS 54 Ca 0.05 -0.05 -0.39 0.00 -2.02 0.00 0.00 58.31 55.90 1qvg n LYS 54 Cb 0.27 -1.88 -0.06 0.00 -0.02 0.00 0.00 35.03 33.35 1qvg n LYS 54 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1qvg s VAL 55 N -2.40 5.02 0.43 -0.18 1.01 -1.26 -5.03 120.40 117.98 1qvg s VAL 55 Ca 0.57 1.20 -0.23 0.00 0.00 0.00 0.00 61.98 63.52 1qvg s VAL 55 Cb -0.21 -3.92 -0.11 0.00 0.00 0.00 0.00 36.38 32.14 1qvg s VAL 55 CO 0.67 0.36 0.87 -2.65 0.00 0.00 0.00 175.10 174.35 1qvg n PRO 56 N 3.18 1.08 -1.51 2.72 -0.02 -1.26 -5.00 135.00 134.18 1qvg n PRO 56 Ca -0.06 0.39 -0.30 0.00 -2.02 0.00 0.00 63.50 61.51 1qvg n PRO 56 Cb 0.51 -1.88 0.23 0.00 -0.02 0.00 0.00 33.50 32.33 1qvg n PRO 56 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1qvg s GLY 57 N -0.83 1.70 0.00 -1.23 0.00 -1.26 -5.10 107.32 100.60 1qvg s GLY 57 Ca 0.64 -1.18 0.00 0.00 0.00 0.00 0.00 44.72 44.18 1qvg s GLY 57 CO 0.56 -0.30 0.00 0.61 0.00 0.00 0.00 173.10 173.97 1qvg n GLY 58 N -2.42 1.59 2.98 0.20 0.00 -1.26 -5.14 105.19 101.15 1qvg n GLY 58 Ca 0.16 -1.96 -0.10 0.00 0.00 0.00 0.00 46.02 44.12 1qvg n GLY 58 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1qvg s ASP 59 N -1.00 0.12 0.37 1.61 1.01 -1.26 -5.14 116.67 112.38 1qvg s ASP 59 Ca 0.00 -0.28 -0.22 0.00 0.71 0.00 0.00 52.55 52.77 1qvg s ASP 59 Cb 0.00 0.11 -0.10 0.00 1.01 0.00 0.00 42.92 43.94 1qvg s ASP 59 CO 0.00 -0.23 0.91 -0.75 0.21 0.00 0.00 175.17 175.31 1qvg s LYS 60 N -1.01 4.32 0.36 8.23 2.47 -1.26 -4.92 119.74 127.92 1qvg s LYS 60 Ca -0.11 1.12 0.24 0.00 -1.56 0.00 0.00 55.97 55.66 1qvg s LYS 60 Cb -0.07 -2.43 1.29 0.00 -1.46 0.00 0.00 37.83 35.16 1qvg s LYS 60 CO -0.00 0.11 1.72 -1.00 0.16 0.00 0.00 175.35 176.34 1qvg h PRO 61 N 2.41 0.00 -2.29 4.03 0.13 -2.06 -3.41 132.00 130.81 1qvg h PRO 61 Ca -0.48 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.58 1qvg h PRO 61 Cb 1.18 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.10 1qvg h PRO 61 CO 0.63 0.00 -0.00 0.99 -0.23 0.00 0.00 178.00 179.39 1qvg s THR 62 N -3.61 0.00 0.27 1.56 2.01 -1.26 -5.01 115.64 109.60 1qvg s THR 62 Ca -0.03 -0.02 0.06 0.00 0.31 0.00 0.00 61.69 62.01 1qvg s THR 62 Cb 0.07 -0.84 -0.03 0.00 0.01 0.00 0.00 72.50 71.71 1qvg s THR 62 CO 0.22 -0.01 0.32 -0.54 -0.69 0.00 0.00 174.62 173.91 1qvg s LYS 63 N 0.06 3.16 0.66 4.92 -0.14 -1.26 -4.88 119.74 122.26 1qvg s LYS 63 Ca -0.02 -0.94 -0.11 0.00 -1.36 0.00 0.00 55.97 53.54 1qvg s LYS 63 Cb -0.04 -2.74 -0.01 0.00 -1.68 0.00 0.00 37.83 33.37 1qvg s LYS 63 CO 0.02 0.34 1.06 0.15 -0.76 0.00 0.00 175.35 176.16 1qvg s LYS 64 N -3.96 3.13 0.04 1.68 1.02 -1.26 -1.95 119.74 118.44 1qvg s LYS 64 Ca 0.36 0.53 -0.30 0.00 0.02 0.00 0.00 55.97 56.57 1qvg s LYS 64 Cb -0.08 -2.06 -0.07 0.00 -0.52 0.00 0.00 37.83 35.09 1qvg s LYS 64 CO 0.28 -0.84 1.50 0.99 -0.92 0.00 0.00 175.35 176.36 1qvg s THR 65 N -3.26 3.39 -0.63 2.17 2.01 -0.67 -4.80 115.64 113.85 1qvg s THR 65 Ca 0.57 0.83 0.03 0.00 0.31 0.00 0.00 61.69 63.42 1qvg s THR 65 Cb -0.11 -3.53 0.16 0.00 0.01 0.00 0.00 72.50 69.02 1qvg s THR 65 CO 0.52 0.00 0.41 -0.62 -0.69 0.00 0.00 174.62 174.24 1qvg s ASP 66 N 2.03 4.79 0.39 3.53 2.15 -1.26 -4.06 116.67 124.23 1qvg s ASP 66 Ca 0.68 -3.31 0.08 0.00 0.43 0.00 0.00 52.55 50.43 1qvg s ASP 66 Cb -0.35 -1.70 -0.08 0.00 -0.30 0.00 0.00 42.92 40.49 1qvg s ASP 66 CO 0.29 -0.21 -0.02 -0.76 -0.17 0.00 0.00 175.17 174.31 1qvg s LEU 67 N -0.71 2.82 -0.05 -1.34 1.43 -1.26 -1.80 118.68 117.77 1qvg s LEU 67 Ca 0.20 -1.32 0.04 0.00 -1.03 0.00 0.00 54.13 52.02 1qvg s LEU 67 Cb -0.17 -0.92 -0.00 0.00 0.03 0.00 0.00 46.19 45.13 1qvg s LEU 67 CO -0.07 -0.38 -0.18 -0.54 0.23 0.00 0.00 176.35 175.42 1qvg s LYS 68 N -3.69 1.95 -0.44 1.70 1.02 0.71 -4.58 119.74 116.41 1qvg s LYS 68 Ca 0.34 -0.63 -0.08 0.00 0.02 0.00 0.00 55.97 55.63 1qvg s LYS 68 Cb 0.08 -1.65 0.11 0.00 -0.52 0.00 0.00 37.83 35.85 1qvg s LYS 68 CO 0.17 0.21 0.29 0.71 -0.92 0.00 0.00 175.35 175.82 1qvg s TYR 69 N 0.15 3.42 -0.32 3.18 1.51 -0.83 -1.89 117.35 122.57 1qvg s TYR 69 Ca -0.07 -1.86 -0.19 0.00 -1.01 0.00 0.00 57.07 53.95 1qvg s TYR 69 Cb -0.13 -3.28 -0.01 0.00 -0.11 0.00 0.00 41.96 38.43 1qvg s TYR 69 CO 0.03 -0.95 0.55 1.03 -1.11 0.00 0.00 175.55 175.10 1qvg s ARG 70 N 1.34 3.81 0.00 -0.62 0.52 0.52 -1.76 118.95 122.77 1qvg s ARG 70 Ca 0.05 0.08 -0.30 0.00 -0.52 0.00 0.00 55.73 55.04 1qvg s ARG 70 Cb -0.25 -3.75 -0.06 0.00 0.52 0.00 0.00 34.95 31.41 1qvg s ARG 70 CO -0.00 -0.56 1.52 0.00 0.02 0.00 0.00 175.30 176.28 1qvg h GLY 72 N 8.87 0.00 0.00 0.00 0.00 -0.98 -1.59 103.07 109.36 1qvg h GLY 72 Ca -0.39 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 46.68 1qvg h GLY 72 CO 0.92 0.00 -1.93 -2.21 0.00 0.00 0.00 176.54 173.33 1qvg n GLU 73 N -3.00 0.38 0.00 4.80 2.13 -1.26 -4.63 120.64 119.06 1qvg n GLU 73 Ca -0.02 0.12 0.12 0.00 0.66 0.00 0.00 57.16 58.04 1qvg n GLU 73 Cb 0.14 -1.22 0.18 0.00 0.27 0.00 0.00 31.44 30.81 1qvg n GLU 73 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1qvg n GLY 75 N 1.49 1.37 3.70 0.00 0.00 -0.60 -5.00 105.19 106.15 1qvg n GLY 75 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 1qvg n GLY 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qvg s LYS 76 N -0.16 4.48 0.58 1.61 1.02 -1.26 -4.64 119.74 121.38 1qvg s LYS 76 Ca 0.00 1.24 -0.01 0.00 0.02 0.00 0.00 55.97 57.22 1qvg s LYS 76 Cb 0.00 -3.48 0.04 0.00 -0.52 0.00 0.00 37.83 33.87 1qvg s LYS 76 CO 0.00 -0.08 0.83 0.00 -0.92 0.00 0.00 175.35 175.18 1qvg s ALA 77 N 1.20 3.72 -0.03 5.17 0.00 -1.26 -3.24 121.76 127.31 1qvg s ALA 77 Ca 0.46 -1.22 -0.18 0.00 0.00 0.00 0.00 51.96 51.03 1qvg s ALA 77 Cb -0.19 -2.21 0.03 0.00 0.00 0.00 0.00 23.12 20.75 1qvg s ALA 77 CO 0.23 -0.86 0.39 -3.38 0.00 0.00 0.00 175.76 172.14 1qvg s HIS 78 N -2.87 -0.30 0.05 0.00 -3.43 -0.72 -4.95 115.29 103.07 1qvg s HIS 78 Ca 0.58 0.50 -0.01 0.00 -0.80 0.00 0.00 55.06 55.33 1qvg s HIS 78 Cb -0.10 0.17 -0.04 0.00 -1.43 0.00 0.00 32.58 31.17 1qvg s HIS 78 CO 0.40 -0.43 0.21 -0.51 -2.00 0.00 0.00 174.74 172.41 1qvg s LEU 79 N -1.20 4.36 0.23 5.38 1.43 -1.26 -1.97 118.68 125.66 1qvg s LEU 79 Ca -0.12 0.30 0.05 0.00 -1.03 0.00 0.00 54.13 53.32 1qvg s LEU 79 Cb -0.04 -2.91 -0.05 0.00 0.03 0.00 0.00 46.19 43.22 1qvg s LEU 79 CO 0.05 0.18 -0.04 -0.13 0.23 0.00 0.00 176.35 176.64 1qvg s ARG 80 N -2.41 1.35 0.55 1.70 0.52 -1.26 -5.05 118.95 114.36 1qvg s ARG 80 Ca 0.34 -1.67 -0.22 0.00 -0.52 0.00 0.00 55.73 53.67 1qvg s ARG 80 Cb -0.13 -0.80 -0.05 0.00 0.52 0.00 0.00 34.95 34.50 1qvg s ARG 80 CO 0.26 -0.02 1.37 0.39 0.02 0.00 0.00 175.30 177.32 1qvg n GLU 81 N -0.43 1.69 -3.21 3.54 1.02 -1.26 -4.86 120.64 117.14 1qvg n GLU 81 Ca -0.06 0.62 -0.20 0.00 -0.02 0.00 0.00 57.16 57.50 1qvg n GLU 81 Cb 0.63 -2.59 0.04 0.00 -0.02 0.00 0.00 31.44 29.50 1qvg n GLU 81 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1qvg s GLY 82 N -0.93 1.89 -0.11 0.62 0.00 -1.26 -4.98 107.32 102.56 1qvg s GLY 82 Ca 0.72 -1.92 -0.10 0.00 0.00 0.00 0.00 44.72 43.42 1qvg s GLY 82 CO 0.49 -1.71 0.29 0.66 0.00 0.00 0.00 173.10 172.83 1qvg s TRP 83 N -2.64 -0.33 0.14 1.90 -2.14 -1.26 -4.71 118.94 109.90 1qvg s TRP 83 Ca 0.55 0.79 -0.34 0.00 2.66 0.00 0.00 56.10 59.76 1qvg s TRP 83 Cb -0.05 0.11 -0.16 0.00 -3.10 0.00 0.00 33.47 30.26 1qvg s TRP 83 CO 0.35 -0.16 1.21 0.54 -2.66 0.00 0.00 176.95 176.22 1qvg n ARG 84 N 3.05 1.10 -3.27 3.25 1.74 -1.26 -1.68 116.66 119.59 1qvg n ARG 84 Ca -0.14 0.39 0.03 0.00 -0.77 0.00 0.00 57.85 57.36 1qvg n ARG 84 Cb 0.58 -1.93 -0.02 0.00 -1.02 0.00 0.00 32.46 30.07 1qvg n ARG 84 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1qvg s ALA 85 N 0.03 -2.32 0.45 7.54 0.00 -0.82 -4.88 121.76 121.77 1qvg s ALA 85 Ca 0.78 1.94 0.22 0.00 0.00 0.00 0.00 51.96 54.90 1qvg s ALA 85 Cb -0.90 -2.10 1.22 0.00 0.00 0.00 0.00 23.12 21.33 1qvg s ALA 85 CO 0.51 -1.23 1.84 0.78 0.00 0.00 0.00 175.76 177.66 1qvg h GLY 86 N 7.98 0.67 -4.53 0.00 0.00 -1.93 -3.41 103.07 101.85 1qvg h GLY 86 Ca -0.21 -0.13 -0.08 0.00 0.00 0.00 0.00 47.33 46.91 1qvg h GLY 86 CO 0.19 -0.03 0.02 -1.60 0.00 0.00 0.00 176.54 175.12 1qvg s ARG 87 N -5.30 0.84 -0.09 4.80 3.52 -1.26 -4.94 118.95 116.53 1qvg s ARG 87 Ca -0.07 0.40 -0.01 0.00 -0.13 0.00 0.00 55.73 55.92 1qvg s ARG 87 Cb 0.23 0.40 0.03 0.00 -1.56 0.00 0.00 34.95 34.05 1qvg s ARG 87 CO 0.78 -0.21 -0.01 -1.17 -0.81 0.00 0.00 175.30 173.89 1qvg s LEU 88 N -0.62 0.79 -0.08 -0.88 2.96 -1.26 0.13 118.68 119.71 1qvg s LEU 88 Ca -0.07 -0.22 0.05 0.00 -0.22 0.00 0.00 54.13 53.67 1qvg s LEU 88 Cb -0.03 -0.54 -0.00 0.00 0.50 0.00 0.00 46.19 46.12 1qvg s LEU 88 CO 0.05 -0.19 -0.23 -1.61 -1.32 0.00 0.00 176.35 173.05 1qvg s GLU 89 N 1.90 2.65 0.29 1.98 2.02 -0.41 -4.98 118.70 122.15 1qvg s GLU 89 Ca 0.04 -0.83 -0.12 0.00 0.02 0.00 0.00 54.97 54.08 1qvg s GLU 89 Cb -0.13 -2.12 -0.08 0.00 0.10 0.00 0.00 34.13 31.91 1qvg s GLU 89 CO -0.06 0.25 0.65 -0.06 0.02 0.00 0.00 175.26 176.06 1qvg s PHE 90 N 0.15 3.40 -0.38 1.61 0.40 -1.26 0.27 117.98 122.18 1qvg s PHE 90 Ca -0.12 1.05 -0.12 0.00 -0.60 0.00 0.00 56.93 57.14 1qvg s PHE 90 Cb -0.16 -2.40 0.02 0.00 0.51 0.00 0.00 43.02 40.99 1qvg s PHE 90 CO 0.06 0.16 0.23 -0.65 0.70 0.00 0.00 175.22 175.72 1qvg s GLN 91 N -2.98 2.92 0.00 0.44 -0.21 0.53 -4.81 119.66 115.54 1qvg s GLN 91 Ca 0.51 -1.03 0.00 0.00 0.02 0.00 0.00 55.36 54.86 1qvg s GLN 91 Cb -0.11 -3.79 0.00 0.00 1.00 0.00 0.00 33.01 30.11 1qvg s GLN 91 CO 0.20 -0.69 0.00 0.39 -2.12 0.00 0.00 175.29 173.07