#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hvh s GLN 2 N 0.00 4.45 -0.24 -0.52 0.74 -1.26 -5.02 119.66 117.80 1hvh s GLN 2 Ca 0.00 1.13 -0.01 0.00 0.05 0.00 0.00 55.36 56.52 1hvh s GLN 2 Cb 0.00 -3.49 0.02 0.00 1.10 0.00 0.00 33.01 30.65 1hvh s GLN 2 CO 0.00 -0.09 -0.08 0.54 -0.55 0.00 0.00 175.29 175.12 1hvh s VAL 3 N 1.25 2.80 0.61 1.34 0.11 -1.26 -5.09 120.40 120.16 1hvh s VAL 3 Ca 0.43 -0.99 -0.14 0.00 -2.93 0.00 0.00 61.98 58.35 1hvh s VAL 3 Cb -0.19 -2.39 -0.03 0.00 -1.53 0.00 0.00 36.38 32.24 1hvh s VAL 3 CO 0.20 0.25 1.04 0.42 -3.33 0.00 0.00 175.10 173.68 1hvh s THR 4 N 1.32 4.16 -0.38 5.04 -4.23 -1.26 -5.00 115.64 115.29 1hvh s THR 4 Ca 0.01 0.89 0.07 0.00 -1.18 0.00 0.00 61.69 61.47 1hvh s THR 4 Cb -0.16 -3.53 0.66 0.00 1.34 0.00 0.00 72.50 70.81 1hvh s THR 4 CO -0.05 -0.73 1.80 0.18 -0.54 0.00 0.00 174.62 175.28 1hvh n LEU 5 N -2.33 6.08 0.21 4.79 7.99 -1.26 -4.39 117.00 128.09 1hvh n LEU 5 Ca 0.08 -3.52 0.10 0.00 -0.01 0.00 0.00 56.01 52.65 1hvh n LEU 5 Cb 0.53 -0.77 0.30 0.00 -0.11 0.00 0.00 43.42 43.37 1hvh n LEU 5 CO 0.51 1.01 0.74 -0.50 -1.51 0.00 0.00 177.39 177.64 1hvh h TRP 6 N 1.47 0.00 -3.58 -1.77 4.06 -2.05 -3.43 115.95 110.64 1hvh h TRP 6 Ca 0.46 0.00 -0.46 0.00 2.06 0.00 0.00 58.89 60.95 1hvh h TRP 6 Cb 2.50 0.00 -0.19 0.00 -1.00 0.00 0.00 29.16 30.47 1hvh h TRP 6 CO 1.40 0.21 -0.77 1.14 -3.56 0.00 0.00 178.44 176.85 1hvh s GLN 7 N -3.36 1.08 0.31 0.49 0.00 -1.26 -5.10 119.66 111.82 1hvh s GLN 7 Ca 0.03 -1.25 -0.29 0.00 -0.00 0.00 0.00 55.36 53.85 1hvh s GLN 7 Cb 0.08 -1.06 -0.12 0.00 0.00 0.00 0.00 33.01 31.92 1hvh s GLN 7 CO 0.66 0.21 1.52 0.54 0.00 0.00 0.00 175.29 178.22 1hvh n ARG 8 N 0.59 2.56 -2.46 9.60 1.74 -1.26 -4.89 116.66 122.54 1hvh n ARG 8 Ca -0.16 0.91 -0.41 0.00 -0.77 0.00 0.00 57.85 57.42 1hvh n ARG 8 Cb 0.56 -2.64 -0.03 0.00 -1.02 0.00 0.00 32.46 29.33 1hvh n ARG 8 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1hvh s PRO 9 N -1.01 3.17 -0.07 5.56 0.04 -1.26 -4.96 135.00 136.47 1hvh s PRO 9 Ca 0.61 0.03 -0.01 0.00 0.04 0.00 0.00 61.00 61.68 1hvh s PRO 9 Cb -0.52 -4.18 -0.03 0.00 0.04 0.00 0.00 34.50 29.81 1hvh s PRO 9 CO 0.54 -2.14 -0.01 -0.51 0.04 0.00 0.00 177.00 174.92 1hvh s LEU 10 N 6.12 3.48 0.08 -3.56 1.43 -1.26 -1.78 118.68 123.19 1hvh s LEU 10 Ca 0.43 0.08 0.03 0.00 -1.03 0.00 0.00 54.13 53.64 1hvh s LEU 10 Cb -0.09 -1.83 -0.03 0.00 0.03 0.00 0.00 46.19 44.27 1hvh s LEU 10 CO 0.19 0.36 -0.10 0.54 0.23 0.00 0.00 176.35 177.56 1hvh s VAL 11 N -0.91 0.84 -0.09 -1.59 0.11 -0.17 -4.92 120.40 113.67 1hvh s VAL 11 Ca 0.14 -1.47 -0.19 0.00 -2.93 0.00 0.00 61.98 57.53 1hvh s VAL 11 Cb -0.11 -1.14 -0.04 0.00 -1.53 0.00 0.00 36.38 33.55 1hvh s VAL 11 CO 0.04 -0.49 0.53 0.42 -3.33 0.00 0.00 175.10 172.27 1hvh s THR 12 N -2.09 5.12 0.13 5.04 -4.23 -1.26 -0.29 115.64 118.06 1hvh s THR 12 Ca 0.01 1.08 0.10 0.00 -1.18 0.00 0.00 61.69 61.70 1hvh s THR 12 Cb -0.05 -3.87 -0.04 0.00 1.34 0.00 0.00 72.50 69.88 1hvh s THR 12 CO 0.00 0.34 -0.25 0.27 -0.54 0.00 0.00 174.62 174.44 1hvh s ILE 13 N 0.47 2.12 -0.11 2.99 -4.36 0.63 -1.46 121.20 121.49 1hvh s ILE 13 Ca 0.29 -1.73 0.02 0.00 -0.26 0.00 0.00 60.65 58.97 1hvh s ILE 13 Cb -0.16 -1.90 0.01 0.00 1.25 0.00 0.00 42.46 41.66 1hvh s ILE 13 CO 0.13 0.03 -0.18 -0.75 0.24 0.00 0.00 174.94 174.41 1hvh s LYS 14 N -2.09 2.45 -0.10 0.37 2.20 -0.24 0.40 119.74 122.74 1hvh s LYS 14 Ca 0.13 -0.66 -0.05 0.00 -0.36 0.00 0.00 55.97 55.03 1hvh s LYS 14 Cb -0.10 -2.00 0.05 0.00 -1.51 0.00 0.00 37.83 34.27 1hvh s LYS 14 CO 0.06 0.00 0.23 0.42 -0.36 0.00 0.00 175.35 175.71 1hvh s ILE 15 N 0.79 -0.07 -1.60 5.43 1.09 0.47 -1.19 121.20 126.12 1hvh s ILE 15 Ca -0.10 0.17 -0.14 0.00 -1.10 0.00 0.00 60.65 59.47 1hvh s ILE 15 Cb -0.16 -0.37 0.11 0.00 -1.06 0.00 0.00 42.46 40.99 1hvh s ILE 15 CO 0.01 0.07 0.80 0.61 -0.10 0.00 0.00 174.94 176.33 1hvh n GLY 16 N 4.33 -0.43 2.34 6.18 0.00 -1.26 0.18 105.19 116.54 1hvh n GLY 16 Ca -0.24 0.15 -0.02 0.00 0.00 0.00 0.00 46.02 45.92 1hvh n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hvh n GLY 17 N -1.57 0.44 3.43 -0.02 0.00 -1.26 -5.03 105.19 101.19 1hvh n GLY 17 Ca 0.00 -0.13 -0.30 0.00 0.00 0.00 0.00 46.02 45.58 1hvh n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1hvh s GLN 18 N -1.11 1.96 -0.18 1.61 -0.21 0.13 -5.12 119.66 116.73 1hvh s GLN 18 Ca 0.00 -1.04 -0.15 0.00 0.02 0.00 0.00 55.36 54.19 1hvh s GLN 18 Cb 0.00 -2.12 -0.04 0.00 1.00 0.00 0.00 33.01 31.84 1hvh s GLN 18 CO 0.00 0.53 0.33 -0.51 -2.12 0.00 0.00 175.29 173.52 1hvh s LEU 19 N -1.48 4.21 0.29 2.90 1.43 -1.26 -0.40 118.68 124.38 1hvh s LEU 19 Ca 0.14 0.50 0.03 0.00 -1.03 0.00 0.00 54.13 53.78 1hvh s LEU 19 Cb -0.10 -2.42 -0.04 0.00 0.03 0.00 0.00 46.19 43.66 1hvh s LEU 19 CO 0.05 0.03 0.17 -0.54 0.23 0.00 0.00 176.35 176.29 1hvh s LYS 20 N 0.79 1.56 -0.11 1.70 -0.14 0.16 -4.99 119.74 118.71 1hvh s LYS 20 Ca 0.17 -1.88 0.02 0.00 -1.36 0.00 0.00 55.97 52.92 1hvh s LYS 20 Cb -0.14 -0.02 -0.01 0.00 -1.68 0.00 0.00 37.83 35.99 1hvh s LYS 20 CO 0.06 -0.46 -0.19 -1.21 -0.76 0.00 0.00 175.35 172.78 1hvh s GLU 21 N -3.83 3.15 0.13 1.68 0.41 -1.26 -0.27 118.70 118.72 1hvh s GLU 21 Ca 0.37 -0.80 0.03 0.00 -0.41 0.00 0.00 54.97 54.16 1hvh s GLU 21 Cb 0.05 -2.43 -0.04 0.00 -1.78 0.00 0.00 34.13 29.93 1hvh s GLU 21 CO 0.18 0.21 -0.07 0.00 -0.49 0.00 0.00 175.26 175.09 1hvh s ALA 22 N 0.30 1.27 -0.10 5.21 0.00 0.60 -4.55 121.76 124.49 1hvh s ALA 22 Ca -0.14 -1.46 -0.14 0.00 0.00 0.00 0.00 51.96 50.22 1hvh s ALA 22 Cb -0.17 0.17 -0.05 0.00 0.00 0.00 0.00 23.12 23.07 1hvh s ALA 22 CO 0.07 -0.18 0.33 -1.17 0.00 0.00 0.00 175.76 174.81 1hvh s LEU 23 N -3.13 4.34 -0.45 0.00 0.20 0.66 -1.00 118.68 119.30 1hvh s LEU 23 Ca 0.16 0.68 -0.24 0.00 0.69 0.00 0.00 54.13 55.43 1hvh s LEU 23 Cb 0.04 -2.44 0.03 0.00 -0.43 0.00 0.00 46.19 43.39 1hvh s LEU 23 CO -0.01 0.20 0.81 -0.76 -0.29 0.00 0.00 176.35 176.30 1hvh s LEU 24 N -0.18 4.20 -0.32 -0.68 1.43 -0.74 -0.79 118.68 121.60 1hvh s LEU 24 Ca 0.20 -0.04 0.04 0.00 -1.03 0.00 0.00 54.13 53.29 1hvh s LEU 24 Cb -0.14 -3.01 0.09 0.00 0.03 0.00 0.00 46.19 43.15 1hvh s LEU 24 CO 0.08 -0.94 0.01 -0.62 0.23 0.00 0.00 176.35 175.11 1hvh s ASP 25 N 2.15 4.66 0.53 2.29 -1.08 -0.67 -4.79 116.67 119.77 1hvh s ASP 25 Ca 0.31 -1.94 0.32 0.00 -0.52 0.00 0.00 52.55 50.73 1hvh s ASP 25 Cb -0.12 -1.59 1.30 0.00 -1.46 0.00 0.00 42.92 41.05 1hvh s ASP 25 CO 0.23 -0.33 1.96 0.71 0.52 0.00 0.00 175.17 178.27 1hvh h THR 26 N 6.65 0.09 -0.00 1.71 1.35 -1.94 -2.82 112.91 117.96 1hvh h THR 26 Ca -0.08 -0.60 0.00 0.00 -0.55 0.00 0.00 66.41 65.17 1hvh h THR 26 Cb 1.03 1.55 0.00 0.00 -1.73 0.00 0.00 68.15 68.99 1hvh h THR 26 CO 0.50 0.03 -0.13 0.61 -0.25 0.00 0.00 175.52 176.29 1hvh n GLY 27 N 0.04 -1.28 3.78 5.82 0.00 -1.26 -4.76 105.19 107.53 1hvh n GLY 27 Ca 0.00 -0.20 -0.36 0.00 0.00 0.00 0.00 46.02 45.47 1hvh n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hvh s ALA 28 N -2.81 3.75 0.04 4.61 0.00 -1.06 -4.98 121.76 121.31 1hvh s ALA 28 Ca 0.19 -0.67 -0.07 0.00 0.00 0.00 0.00 51.96 51.41 1hvh s ALA 28 Cb 0.19 -2.08 -0.30 0.00 0.00 0.00 0.00 23.12 20.93 1hvh s ALA 28 CO 0.54 0.34 1.03 -0.44 0.00 0.00 0.00 175.76 177.23 1hvh h ASP 29 N 6.01 0.52 -1.34 0.00 5.19 -1.88 0.91 116.42 125.83 1hvh h ASP 29 Ca -0.46 -0.59 -0.62 0.00 -0.62 0.00 0.00 57.03 54.73 1hvh h ASP 29 Cb 1.18 -0.17 -0.11 0.00 0.18 0.00 0.00 39.33 40.41 1hvh h ASP 29 CO 0.69 1.47 -0.54 -1.81 -3.12 0.00 0.00 179.24 175.93 1hvh s ASP 30 N -7.21 4.10 -0.13 6.45 1.01 -1.26 -2.00 116.67 117.63 1hvh s ASP 30 Ca -0.07 -1.35 -0.07 0.00 0.71 0.00 0.00 52.55 51.78 1hvh s ASP 30 Cb 0.06 -0.20 -0.04 0.00 1.01 0.00 0.00 42.92 43.75 1hvh s ASP 30 CO 0.89 -0.58 0.11 -0.89 0.21 0.00 0.00 175.17 174.91 1hvh s THR 31 N -2.72 5.23 -0.04 -1.27 2.01 -1.26 -2.92 115.64 114.67 1hvh s THR 31 Ca 0.31 0.11 -0.01 0.00 0.31 0.00 0.00 61.69 62.41 1hvh s THR 31 Cb 0.06 -3.29 0.03 0.00 0.01 0.00 0.00 72.50 69.31 1hvh s THR 31 CO 0.16 0.58 0.02 0.54 -0.69 0.00 0.00 174.62 175.24 1hvh s VAL 32 N -0.68 0.09 0.08 3.82 0.11 0.15 -1.65 120.40 122.32 1hvh s VAL 32 Ca 0.13 0.23 0.05 0.00 -2.93 0.00 0.00 61.98 59.45 1hvh s VAL 32 Cb -0.12 -0.27 -0.04 0.00 -1.53 0.00 0.00 36.38 34.43 1hvh s VAL 32 CO 0.03 0.18 -0.03 -0.76 -3.33 0.00 0.00 175.10 171.18 1hvh s LEU 33 N 1.63 3.32 0.46 2.54 1.02 -0.15 -1.66 118.68 125.85 1hvh s LEU 33 Ca -0.01 -0.22 -0.24 0.00 0.02 0.00 0.00 54.13 53.67 1hvh s LEU 33 Cb -0.13 -2.05 -0.07 0.00 0.02 0.00 0.00 46.19 43.96 1hvh s LEU 33 CO -0.03 0.19 1.32 -0.70 0.02 0.00 0.00 176.35 177.15 1hvh s GLU 34 N -2.15 3.65 -0.40 1.70 2.12 -1.26 -0.93 118.70 121.43 1hvh s GLU 34 Ca 0.23 2.17 -0.37 0.00 0.36 0.00 0.00 54.97 57.36 1hvh s GLU 34 Cb -0.11 -2.54 -0.16 0.00 0.26 0.00 0.00 34.13 31.57 1hvh s GLU 34 CO 0.15 -0.76 1.37 0.39 -0.54 0.00 0.00 175.26 175.87 1hvh n GLU 35 N -0.36 0.00 -4.04 4.30 -0.58 -1.03 -4.76 120.64 114.18 1hvh n GLU 35 Ca 0.06 0.00 -0.09 0.00 -0.42 0.00 0.00 57.16 56.71 1hvh n GLU 35 Cb 0.44 -1.20 -0.08 0.00 -0.57 0.00 0.00 31.44 30.02 1hvh n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1hvh s MET 36 N 2.88 1.02 -0.20 3.49 0.23 -1.26 -5.06 119.30 120.39 1hvh s MET 36 Ca 0.87 -1.27 -0.21 0.00 -1.03 0.00 0.00 55.69 54.05 1hvh s MET 36 Cb -1.20 0.31 -0.02 0.00 -1.53 0.00 0.00 34.83 32.38 1hvh s MET 36 CO 0.63 -0.34 0.63 0.45 -2.03 0.00 0.00 175.02 174.37 1hvh s SER 37 N -2.99 6.68 0.03 -1.18 0.15 -1.26 -5.04 113.70 110.10 1hvh s SER 37 Ca 0.19 0.83 0.05 0.00 0.70 0.00 0.00 55.95 57.72 1hvh s SER 37 Cb 0.05 -2.35 -0.02 0.00 -1.71 0.00 0.00 66.02 61.99 1hvh s SER 37 CO -0.00 -0.28 -0.13 -0.76 1.20 0.00 0.00 173.24 173.26 1hvh s LEU 38 N 1.95 2.16 0.30 3.45 1.43 -1.26 -4.94 118.68 121.77 1hvh s LEU 38 Ca 0.29 -0.43 -0.28 0.00 -1.03 0.00 0.00 54.13 52.68 1hvh s LEU 38 Cb -0.16 -0.58 -0.09 0.00 0.03 0.00 0.00 46.19 45.39 1hvh s LEU 38 CO 0.10 0.04 1.04 -2.16 0.23 0.00 0.00 176.35 175.60 1hvh s PRO 39 N -1.05 4.59 0.00 1.29 0.04 -1.26 -4.93 135.00 133.68 1hvh s PRO 39 Ca 0.01 1.63 0.00 0.00 0.04 0.00 0.00 61.00 62.68 1hvh s PRO 39 Cb -0.07 -3.04 0.00 0.00 0.04 0.00 0.00 34.50 31.43 1hvh s PRO 39 CO 0.01 0.22 0.00 0.41 0.04 0.00 0.00 177.00 177.68 1hvh n GLY 40 N 1.02 2.11 0.43 0.56 0.00 -1.26 -5.02 105.19 103.04 1hvh n GLY 40 Ca 0.00 -1.76 0.00 0.00 0.00 0.00 0.00 46.02 44.26 1hvh n GLY 40 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1hvh n ARG 41 N -1.90 0.00 -3.60 1.61 0.00 -1.26 -5.15 116.66 106.36 1hvh n ARG 41 Ca 0.00 0.14 -0.14 0.00 -0.00 0.00 0.00 57.85 57.86 1hvh n ARG 41 Cb 0.00 -0.43 -0.07 0.00 0.00 0.00 0.00 32.46 31.96 1hvh n ARG 41 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 177.63 179.30 1hvh s TRP 42 N -0.60 -0.64 0.12 -0.14 1.48 -1.26 -4.63 118.94 113.27 1hvh s TRP 42 Ca 0.00 1.41 0.06 0.00 -1.06 0.00 0.00 56.10 56.51 1hvh s TRP 42 Cb 0.00 0.35 -0.04 0.00 -1.16 0.00 0.00 33.47 32.62 1hvh s TRP 42 CO 0.00 -0.40 -0.02 0.15 -4.06 0.00 0.00 176.95 172.62 1hvh s LYS 43 N -0.23 2.42 0.29 3.25 1.02 -0.17 -4.85 119.74 121.47 1hvh s LYS 43 Ca -0.02 -0.96 -0.15 0.00 0.02 0.00 0.00 55.97 54.86 1hvh s LYS 43 Cb -0.03 -2.44 -0.09 0.00 -0.52 0.00 0.00 37.83 34.75 1hvh s LYS 43 CO 0.02 0.51 0.71 -2.14 -0.92 0.00 0.00 175.35 173.53 1hvh s PRO 44 N -2.49 4.02 -0.06 -1.68 0.02 -1.26 0.42 135.00 133.98 1hvh s PRO 44 Ca 0.25 0.66 -0.30 0.00 0.02 0.00 0.00 61.00 61.63 1hvh s PRO 44 Cb -0.11 -2.53 0.07 0.00 0.02 0.00 0.00 34.50 31.95 1hvh s PRO 44 CO 0.17 0.21 0.67 0.21 -0.33 0.00 0.00 177.00 177.94 1hvh s LYS 45 N -2.79 1.04 0.25 5.54 2.20 0.28 -4.74 119.74 121.52 1hvh s LYS 45 Ca 0.51 0.27 0.08 0.00 -0.36 0.00 0.00 55.97 56.48 1hvh s LYS 45 Cb -0.11 0.49 -0.04 0.00 -1.51 0.00 0.00 37.83 36.66 1hvh s LYS 45 CO 0.18 -0.32 0.07 1.41 -0.36 0.00 0.00 175.35 176.33 1hvh s MET 46 N -1.14 2.53 -0.03 4.03 -2.45 -1.26 0.24 119.30 121.22 1hvh s MET 46 Ca -0.11 -1.25 -0.29 0.00 -1.25 0.00 0.00 55.69 52.78 1hvh s MET 46 Cb -0.00 -2.33 0.08 0.00 1.25 0.00 0.00 34.83 33.83 1hvh s MET 46 CO 0.10 0.39 0.73 0.96 1.05 0.00 0.00 175.02 178.25 1hvh s ILE 47 N -2.19 0.00 -0.62 10.11 -4.36 0.65 -4.91 121.20 119.88 1hvh s ILE 47 Ca 0.31 0.00 0.00 0.00 -0.26 0.00 0.00 60.65 60.70 1hvh s ILE 47 Cb -0.07 -1.00 0.00 0.00 1.25 0.00 0.00 42.46 42.64 1hvh s ILE 47 CO 0.22 0.00 0.00 0.61 0.24 0.00 0.00 174.94 176.01 1hvh n GLY 48 N 0.60 -1.26 0.00 6.27 0.00 -1.26 0.31 105.19 109.86 1hvh n GLY 48 Ca -0.17 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 44.98 1hvh n GLY 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hvh n GLY 49 N -0.01 4.14 3.01 -0.02 0.00 -1.26 -4.88 105.19 106.17 1hvh n GLY 49 Ca 0.00 -1.92 -0.19 0.00 0.00 0.00 0.00 46.02 43.91 1hvh n GLY 49 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1hvh s ILE 50 N 2.08 0.69 -0.32 -0.61 -5.25 -1.26 -4.92 121.20 111.61 1hvh s ILE 50 Ca 0.00 -0.36 0.00 0.00 -0.99 0.00 0.00 60.65 59.30 1hvh s ILE 50 Cb 0.00 -0.58 0.10 0.00 2.95 0.00 0.00 42.46 44.93 1hvh s ILE 50 CO 0.00 0.20 0.09 -0.83 -1.79 0.00 0.00 174.94 172.61 1hvh s GLY 51 N -0.14 1.25 0.00 6.27 0.00 -1.26 -5.05 107.32 108.38 1hvh s GLY 51 Ca 0.02 -1.85 0.00 0.00 0.00 0.00 0.00 44.72 42.89 1hvh s GLY 51 CO -0.00 1.49 0.00 0.61 0.00 0.00 0.00 173.10 175.20 1hvh n GLY 52 N 4.71 -2.23 3.51 0.20 0.00 -1.26 -5.13 105.19 104.99 1hvh n GLY 52 Ca -0.01 0.71 -0.29 0.00 0.00 0.00 0.00 46.02 46.43 1hvh n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1hvh s PHE 53 N -0.10 0.91 -0.13 1.61 0.40 -1.25 -4.02 117.98 115.40 1hvh s PHE 53 Ca 0.00 0.84 -0.30 0.00 -0.60 0.00 0.00 56.93 56.86 1hvh s PHE 53 Cb 0.00 -3.17 0.11 0.00 0.51 0.00 0.00 43.02 40.47 1hvh s PHE 53 CO 0.00 -3.92 0.92 -1.50 0.70 0.00 0.00 175.22 171.42 1hvh s ILE 54 N -2.66 0.00 -0.23 0.64 2.07 0.92 -4.79 121.20 117.16 1hvh s ILE 54 Ca 0.68 0.00 -0.13 0.00 -1.41 0.00 0.00 60.65 59.79 1hvh s ILE 54 Cb -0.18 -1.00 -0.05 0.00 0.13 0.00 0.00 42.46 41.37 1hvh s ILE 54 CO 0.60 0.00 0.26 -0.54 -1.91 0.00 0.00 174.94 173.35 1hvh s LYS 55 N -1.19 4.11 0.18 3.50 1.02 -1.26 -0.25 119.74 125.85 1hvh s LYS 55 Ca -0.04 -0.07 0.07 0.00 0.02 0.00 0.00 55.97 55.96 1hvh s LYS 55 Cb -0.00 -3.54 -0.04 0.00 -0.52 0.00 0.00 37.83 33.72 1hvh s LYS 55 CO 0.03 0.01 -0.15 0.54 -0.92 0.00 0.00 175.35 174.86 1hvh s VAL 56 N 1.20 1.66 -0.10 3.17 0.11 0.67 -4.55 120.40 122.56 1hvh s VAL 56 Ca 0.12 -2.08 -0.04 0.00 -2.93 0.00 0.00 61.98 57.06 1hvh s VAL 56 Cb -0.14 -1.92 -0.04 0.00 -1.53 0.00 0.00 36.38 32.75 1hvh s VAL 56 CO 0.06 -0.53 0.04 -0.13 -3.33 0.00 0.00 175.10 171.22 1hvh s ARG 57 N -3.35 3.19 -0.46 1.54 0.52 -0.91 0.98 118.95 120.46 1hvh s ARG 57 Ca 0.19 -0.33 -0.16 0.00 -0.52 0.00 0.00 55.73 54.91 1hvh s ARG 57 Cb -0.02 -2.93 0.05 0.00 0.52 0.00 0.00 34.95 32.57 1hvh s ARG 57 CO 0.06 0.68 0.41 -1.14 0.02 0.00 0.00 175.30 175.33 1hvh s GLN 58 N -0.81 3.01 -0.28 3.54 -0.44 1.44 -0.39 119.66 125.73 1hvh s GLN 58 Ca 0.13 -1.15 -0.06 0.00 -2.50 0.00 0.00 55.36 51.77 1hvh s GLN 58 Cb -0.12 -4.08 0.01 0.00 -1.64 0.00 0.00 33.01 27.18 1hvh s GLN 58 CO 0.03 -0.97 0.07 0.71 0.50 0.00 0.00 175.29 175.62 1hvh s TYR 59 N 1.83 3.13 0.24 1.67 2.02 -0.92 -1.00 117.35 124.32 1hvh s TYR 59 Ca 0.07 -0.95 0.06 0.00 -0.37 0.00 0.00 57.07 55.87 1hvh s TYR 59 Cb -0.22 -2.24 -0.03 0.00 -0.40 0.00 0.00 41.96 39.08 1hvh s TYR 59 CO 0.09 -0.56 0.32 -0.51 -1.57 0.00 0.00 175.55 173.32 1hvh s ASP 60 N 1.50 6.12 -1.02 2.29 1.11 -1.26 -1.90 116.67 123.50 1hvh s ASP 60 Ca 0.03 -0.01 -0.05 0.00 0.18 0.00 0.00 52.55 52.70 1hvh s ASP 60 Cb -0.17 -1.74 0.01 0.00 1.07 0.00 0.00 42.92 42.09 1hvh s ASP 60 CO 0.02 -0.07 0.89 0.00 1.18 0.00 0.00 175.17 177.19 1hvh n GLN 61 N -1.36 -5.95 -3.35 8.23 6.02 -0.86 -4.89 117.38 115.24 1hvh n GLN 61 Ca -0.09 0.65 -0.38 0.00 -0.01 0.00 0.00 57.00 57.17 1hvh n GLN 61 Cb 0.57 -5.13 -0.07 0.00 1.02 0.00 0.00 30.24 26.63 1hvh n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1hvh s ILE 62 N -3.26 5.18 -0.04 5.09 -1.09 0.10 -4.67 121.20 122.51 1hvh s ILE 62 Ca 0.34 0.82 -0.29 0.00 -2.23 0.00 0.00 60.65 59.28 1hvh s ILE 62 Cb -0.15 -3.77 -0.03 0.00 -1.58 0.00 0.00 42.46 36.94 1hvh s ILE 62 CO 0.57 0.26 0.96 -0.22 -1.23 0.00 0.00 174.94 175.28 1hvh s LEU 63 N 1.15 4.33 -0.05 2.97 0.20 -1.26 -1.51 118.68 124.51 1hvh s LEU 63 Ca 0.22 1.57 0.03 0.00 0.69 0.00 0.00 54.13 56.64 1hvh s LEU 63 Cb -0.15 -3.52 0.01 0.00 -0.43 0.00 0.00 46.19 42.10 1hvh s LEU 63 CO 0.09 -0.30 -0.12 -0.51 -0.29 0.00 0.00 176.35 175.21 1hvh s ILE 64 N 1.31 1.05 -0.22 6.68 2.07 0.16 -4.46 121.20 127.78 1hvh s ILE 64 Ca 0.49 -0.47 -0.04 0.00 -1.41 0.00 0.00 60.65 59.22 1hvh s ILE 64 Cb -0.20 -0.94 -0.01 0.00 0.13 0.00 0.00 42.46 41.44 1hvh s ILE 64 CO 0.24 0.32 -0.04 -1.61 -1.91 0.00 0.00 174.94 171.94 1hvh s GLU 65 N 0.38 3.36 -0.26 3.50 2.02 -0.33 -0.54 118.70 126.83 1hvh s GLU 65 Ca -0.08 -0.63 0.02 0.00 0.02 0.00 0.00 54.97 54.29 1hvh s GLU 65 Cb -0.12 -3.01 0.05 0.00 0.10 0.00 0.00 34.13 31.15 1hvh s GLU 65 CO 0.02 -0.20 -0.10 0.42 0.02 0.00 0.00 175.26 175.41 1hvh s ILE 66 N 1.48 2.29 -0.46 -1.63 1.01 0.17 -1.07 121.20 122.98 1hvh s ILE 66 Ca 0.06 -1.51 0.00 0.00 0.00 0.00 0.00 60.65 59.20 1hvh s ILE 66 Cb -0.14 -2.30 0.00 0.00 0.01 0.00 0.00 42.46 40.03 1hvh s ILE 66 CO -0.03 0.03 0.00 0.00 0.00 0.00 0.00 174.94 174.94 1hvh n GLY 68 N 0.60 0.83 3.79 0.00 0.00 -1.26 -5.07 105.19 104.08 1hvh n GLY 68 Ca -0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.59 1hvh n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1hvh s HIS 69 N -0.71 3.85 -0.01 1.61 3.76 -0.51 -5.03 115.29 118.26 1hvh s HIS 69 Ca 0.00 1.54 -0.16 0.00 -0.15 0.00 0.00 55.06 56.29 1hvh s HIS 69 Cb 0.00 -2.70 -0.06 0.00 1.11 0.00 0.00 32.58 30.94 1hvh s HIS 69 CO 0.00 0.50 0.44 0.15 -0.85 0.00 0.00 174.74 174.98 1hvh s LYS 70 N -1.26 4.02 -0.04 1.40 1.02 -1.26 0.45 119.74 124.07 1hvh s LYS 70 Ca 0.36 0.45 -0.17 0.00 0.02 0.00 0.00 55.97 56.63 1hvh s LYS 70 Cb -0.22 -3.26 0.03 0.00 -0.52 0.00 0.00 37.83 33.87 1hvh s LYS 70 CO 0.24 0.60 0.38 0.00 -0.92 0.00 0.00 175.35 175.64 1hvh s ALA 71 N -0.79 -0.95 0.03 5.17 0.00 0.29 -4.95 121.76 120.56 1hvh s ALA 71 Ca 0.24 0.60 0.08 0.00 0.00 0.00 0.00 51.96 52.89 1hvh s ALA 71 Cb -0.17 -0.07 -0.03 0.00 0.00 0.00 0.00 23.12 22.86 1hvh s ALA 71 CO 0.13 -0.26 -0.24 0.42 0.00 0.00 0.00 175.76 175.81 1hvh s ILE 72 N -1.04 1.92 -2.88 0.00 1.01 -1.26 0.35 121.20 119.31 1hvh s ILE 72 Ca -0.11 -1.25 0.00 0.00 0.00 0.00 0.00 60.65 59.29 1hvh s ILE 72 Cb -0.04 -1.64 0.00 0.00 0.01 0.00 0.00 42.46 40.79 1hvh s ILE 72 CO 0.04 0.34 0.00 0.61 0.00 0.00 0.00 174.94 175.93 1hvh n GLY 73 N 1.94 -1.12 3.71 6.18 0.00 -0.57 -4.86 105.19 110.48 1hvh n GLY 73 Ca -0.17 -1.01 -0.37 0.00 0.00 0.00 0.00 46.02 44.47 1hvh n GLY 73 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1hvh s THR 74 N -3.00 5.26 -0.04 2.61 -1.32 -1.26 0.01 115.64 117.91 1hvh s THR 74 Ca 0.00 0.65 0.05 0.00 -1.21 0.00 0.00 61.69 61.18 1hvh s THR 74 Cb 0.00 -3.68 -0.01 0.00 -1.51 0.00 0.00 72.50 67.30 1hvh s THR 74 CO 0.00 0.35 -0.18 0.68 -2.21 0.00 0.00 174.62 173.25 1hvh s VAL 75 N 0.70 1.51 0.08 5.08 -7.23 -0.80 -4.39 120.40 115.34 1hvh s VAL 75 Ca 0.19 -0.77 -0.08 0.00 -1.81 0.00 0.00 61.98 59.50 1hvh s VAL 75 Cb -0.14 -1.28 -0.05 0.00 0.56 0.00 0.00 36.38 35.47 1hvh s VAL 75 CO 0.06 0.43 0.36 -0.76 -0.31 0.00 0.00 175.10 174.88 1hvh s LEU 76 N -0.11 4.33 -0.21 1.32 1.02 -0.66 -2.17 118.68 122.21 1hvh s LEU 76 Ca -0.01 0.68 0.01 0.00 0.02 0.00 0.00 54.13 54.83 1hvh s LEU 76 Cb -0.11 -2.98 0.04 0.00 0.02 0.00 0.00 46.19 43.17 1hvh s LEU 76 CO 0.02 0.16 -0.12 -0.69 0.02 0.00 0.00 176.35 175.74 1hvh s VAL 77 N -1.44 1.83 0.01 -1.59 1.01 0.48 -0.98 120.40 119.73 1hvh s VAL 77 Ca 0.33 -1.17 -0.00 0.00 0.00 0.00 0.00 61.98 61.14 1hvh s VAL 77 Cb -0.13 -1.89 0.00 0.00 0.00 0.00 0.00 36.38 34.36 1hvh s VAL 77 CO 0.19 0.16 0.02 0.61 0.00 0.00 0.00 175.10 176.08 1hvh n GLY 78 N 4.61 3.22 2.54 4.51 0.00 -0.11 -2.13 105.19 117.83 1hvh n GLY 78 Ca -0.15 -1.43 -0.37 0.00 0.00 0.00 0.00 46.02 44.07 1hvh n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1hvh n PRO 79 N -0.02 3.04 -3.50 1.61 -0.04 -1.26 -2.46 135.00 132.37 1hvh n PRO 79 Ca 0.00 -2.16 -0.33 0.00 -0.04 0.00 0.00 63.50 60.96 1hvh n PRO 79 Cb 0.02 -2.89 -0.05 0.00 -0.04 0.00 0.00 33.50 30.54 1hvh n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1hvh s THR 80 N 2.87 5.01 -0.90 0.52 -1.32 -1.26 -4.96 115.64 115.59 1hvh s THR 80 Ca 0.58 0.44 0.26 0.00 -1.21 0.00 0.00 61.69 61.76 1hvh s THR 80 Cb 0.15 -3.65 0.08 0.00 -1.51 0.00 0.00 72.50 67.58 1hvh s THR 80 CO -0.05 0.10 1.53 -0.81 -2.21 0.00 0.00 174.62 173.18 1hvh n PRO 81 N 0.35 0.08 -3.80 7.08 -0.04 -1.26 -4.67 135.00 132.74 1hvh n PRO 81 Ca -0.03 0.03 -0.11 0.00 -0.04 0.00 0.00 63.50 63.35 1hvh n PRO 81 Cb 0.52 -1.56 -0.08 0.00 -0.04 0.00 0.00 33.50 32.34 1hvh n PRO 81 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1hvh s VAL 82 N -3.04 0.09 -0.04 0.52 0.11 -1.26 -5.09 120.40 111.69 1hvh s VAL 82 Ca 0.11 -0.77 -0.23 0.00 -2.93 0.00 0.00 61.98 58.15 1hvh s VAL 82 Cb 0.17 -0.89 -0.04 0.00 -1.53 0.00 0.00 36.38 34.09 1hvh s VAL 82 CO 0.66 -0.43 0.69 0.20 -3.33 0.00 0.00 175.10 172.90 1hvh s ASN 83 N -2.01 7.02 -0.07 3.54 0.01 -1.26 -4.50 114.94 117.68 1hvh s ASN 83 Ca -0.06 1.22 0.02 0.00 -0.71 0.00 0.00 52.86 53.33 1hvh s ASN 83 Cb -0.01 -2.41 0.02 0.00 0.41 0.00 0.00 41.25 39.25 1hvh s ASN 83 CO -0.03 -0.06 -0.11 -0.63 -1.51 0.00 0.00 177.10 174.76 1hvh s ILE 84 N 0.53 1.03 -0.39 0.60 1.01 -0.66 -0.25 121.20 123.07 1hvh s ILE 84 Ca 0.37 -0.41 -0.09 0.00 0.00 0.00 0.00 60.65 60.51 1hvh s ILE 84 Cb -0.18 -0.96 0.06 0.00 0.01 0.00 0.00 42.46 41.38 1hvh s ILE 84 CO 0.19 0.33 0.22 -0.63 0.00 0.00 0.00 174.94 175.05 1hvh s ILE 85 N 0.77 4.28 0.78 2.92 -1.09 0.03 0.33 121.20 129.22 1hvh s ILE 85 Ca -0.13 -1.18 -0.03 0.00 -2.23 0.00 0.00 60.65 57.08 1hvh s ILE 85 Cb -0.15 -3.51 0.15 0.00 -1.58 0.00 0.00 42.46 37.37 1hvh s ILE 85 CO 0.02 -0.37 1.07 -0.83 -1.23 0.00 0.00 174.94 173.60 1hvh s GLY 86 N 1.82 1.76 0.47 6.18 0.00 -1.15 -1.67 107.32 114.73 1hvh s GLY 86 Ca 0.02 -1.75 0.22 0.00 0.00 0.00 0.00 44.72 43.21 1hvh s GLY 86 CO 0.04 -1.11 1.91 3.21 0.00 0.00 0.00 173.10 177.14 1hvh h ARG 87 N -0.76 0.22 -0.98 2.90 3.08 0.85 -2.66 114.38 117.03 1hvh h ARG 87 Ca -0.36 -0.01 0.21 0.00 0.07 0.00 0.00 59.98 59.89 1hvh h ARG 87 Cb 1.26 -0.05 -0.09 0.00 0.08 0.00 0.00 29.97 31.16 1hvh h ARG 87 CO 0.37 0.15 0.62 -2.95 -1.07 0.00 0.00 179.97 177.09 1hvh h ASN 88 N 0.23 0.60 0.28 7.04 -1.07 -1.65 -2.09 115.58 118.91 1hvh h ASN 88 Ca 0.39 0.08 -0.33 0.00 0.07 0.00 0.00 56.30 56.52 1hvh h ASN 88 Cb 1.20 -0.03 -0.06 0.00 -2.07 0.00 0.00 38.32 37.37 1hvh h ASN 88 CO -0.09 0.20 -2.00 0.18 0.07 0.00 0.00 177.43 175.79 1hvh n LEU 89 N -4.66 0.55 -0.14 6.14 4.77 -1.02 -4.29 117.00 118.34 1hvh n LEU 89 Ca 0.23 0.24 0.01 0.00 -0.03 0.00 0.00 56.01 56.46 1hvh n LEU 89 Cb 0.68 0.28 0.30 0.00 -2.33 0.00 0.00 43.42 42.35 1hvh n LEU 89 CO 0.25 0.45 1.20 -0.07 -1.33 0.00 0.00 177.39 177.88 1hvh h LEU 90 N 0.00 0.73 -1.03 2.23 3.38 -1.22 -1.17 115.31 118.23 1hvh h LEU 90 Ca -0.40 -0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.47 1hvh h LEU 90 Cb 2.11 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 42.66 1hvh h LEU 90 CO 0.06 0.54 -0.10 0.71 0.09 0.00 0.00 178.44 179.74 1hvh h THR 91 N 0.86 1.23 -0.07 0.22 1.35 -1.58 -1.61 112.91 113.31 1hvh h THR 91 Ca 0.23 -1.03 -0.17 0.00 -0.55 0.00 0.00 66.41 64.89 1hvh h THR 91 Cb -0.08 1.08 -0.01 0.00 -1.73 0.00 0.00 68.15 67.42 1hvh h THR 91 CO -0.05 0.34 -0.71 1.56 -0.25 0.00 0.00 175.52 176.41 1hvh h GLN 92 N 0.54 0.33 -0.00 4.72 4.20 -1.54 -2.85 115.11 120.51 1hvh h GLN 92 Ca 0.10 -0.27 0.00 0.00 0.06 0.00 0.00 58.65 58.54 1hvh h GLN 92 Cb 0.49 0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.33 1hvh h GLN 92 CO 0.03 0.91 -0.00 -0.89 -0.67 0.00 0.00 178.83 178.21 1hvh n ILE 93 N -3.83 0.00 -1.95 2.54 -0.00 -0.52 -4.88 119.36 110.72 1hvh n ILE 93 Ca -0.04 -0.00 -0.16 0.00 -0.00 0.00 0.00 62.75 62.55 1hvh n ILE 93 Cb 0.69 -0.48 -0.03 0.00 -0.00 0.00 0.00 39.64 39.82 1hvh n ILE 93 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1hvh n GLY 94 N 1.09 0.50 3.76 7.39 0.00 -0.99 -4.98 105.19 111.96 1hvh n GLY 94 Ca 0.21 -0.24 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 1hvh n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hvh s ALA 95 N -2.71 2.34 0.04 4.61 0.00 -0.64 -5.04 121.76 120.35 1hvh s ALA 95 Ca 0.00 0.58 -0.13 0.00 0.00 0.00 0.00 51.96 52.41 1hvh s ALA 95 Cb 0.00 -3.35 0.02 0.00 0.00 0.00 0.00 23.12 19.79 1hvh s ALA 95 CO 0.00 -1.51 0.28 0.99 0.00 0.00 0.00 175.76 175.52 1hvh s THR 96 N -2.34 0.09 -0.17 0.00 2.01 -1.26 -4.83 115.64 109.13 1hvh s THR 96 Ca 0.68 -0.71 -0.05 0.00 0.31 0.00 0.00 61.69 61.92 1hvh s THR 96 Cb -0.22 -0.90 -0.03 0.00 0.01 0.00 0.00 72.50 71.36 1hvh s THR 96 CO 0.44 -0.39 -0.00 -0.22 -0.69 0.00 0.00 174.62 173.76 1hvh s LEU 97 N -1.99 3.41 -0.07 4.42 2.96 -1.26 -5.06 118.68 121.09 1hvh s LEU 97 Ca -0.06 -0.08 0.02 0.00 -0.22 0.00 0.00 54.13 53.78 1hvh s LEU 97 Cb -0.01 -1.84 0.02 0.00 0.50 0.00 0.00 46.19 44.85 1hvh s LEU 97 CO -0.03 0.15 -0.10 0.20 -1.32 0.00 0.00 176.35 175.25 1hvh s ASN 98 N 0.50 1.72 0.00 3.68 -0.87 -1.26 -5.29 114.94 113.42 1hvh s ASN 98 Ca -0.01 -0.27 0.00 0.00 -1.57 0.00 0.00 52.86 51.01 1hvh s ASN 98 Cb -0.14 -0.76 0.00 0.00 -0.02 0.00 0.00 41.25 40.33 1hvh s ASN 98 CO 0.02 -0.01 0.00 2.22 -2.57 0.00 0.00 177.10 176.76