#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hvj s GLN 2 N 0.00 3.51 -0.21 0.54 0.74 -1.26 -5.09 119.66 117.89 1hvj s GLN 2 Ca 0.00 -0.58 -0.05 0.00 0.05 0.00 0.00 55.36 54.78 1hvj s GLN 2 Cb 0.00 -2.96 -0.02 0.00 1.10 0.00 0.00 33.01 31.13 1hvj s GLN 2 CO 0.00 0.01 -0.01 0.42 -0.55 0.00 0.00 175.29 175.16 1hvj s ILE 3 N 0.96 3.75 0.60 -2.34 1.01 -1.26 -5.09 121.20 118.83 1hvj s ILE 3 Ca 0.00 -0.37 -0.09 0.00 0.00 0.00 0.00 60.65 60.19 1hvj s ILE 3 Cb -0.15 -2.71 -0.02 0.00 0.01 0.00 0.00 42.46 39.60 1hvj s ILE 3 CO 0.01 0.42 0.97 0.42 0.00 0.00 0.00 174.94 176.75 1hvj s THR 4 N 1.26 4.31 -0.30 2.92 -4.23 -1.26 -5.01 115.64 113.33 1hvj s THR 4 Ca 0.03 0.49 0.10 0.00 -1.18 0.00 0.00 61.69 61.13 1hvj s THR 4 Cb -0.15 -3.71 0.57 0.00 1.34 0.00 0.00 72.50 70.55 1hvj s THR 4 CO 0.00 -0.85 1.57 0.18 -0.54 0.00 0.00 174.62 174.98 1hvj n LEU 5 N -2.67 4.75 -0.06 4.79 4.77 -1.26 -4.55 117.00 122.77 1hvj n LEU 5 Ca 0.05 -3.54 -0.13 0.00 -0.03 0.00 0.00 56.01 52.36 1hvj n LEU 5 Cb 0.56 -0.67 -0.01 0.00 -2.33 0.00 0.00 43.42 40.97 1hvj n LEU 5 CO 0.56 1.06 0.46 -0.50 -1.33 0.00 0.00 177.39 177.64 1hvj h TRP 6 N 1.34 0.98 -1.23 -1.77 4.06 -2.05 -3.43 115.95 113.84 1hvj h TRP 6 Ca 0.26 -0.34 -0.56 0.00 2.06 0.00 0.00 58.89 60.31 1hvj h TRP 6 Cb 1.90 -0.19 -0.06 0.00 -1.00 0.00 0.00 29.16 29.81 1hvj h TRP 6 CO 1.05 1.14 -0.41 1.14 -3.56 0.00 0.00 178.44 177.80 1hvj s GLN 7 N -4.11 2.31 0.27 0.49 -2.07 -1.26 -5.09 119.66 110.20 1hvj s GLN 7 Ca -0.10 -1.84 -0.30 0.00 -1.82 0.00 0.00 55.36 51.30 1hvj s GLN 7 Cb 0.11 -2.09 -0.12 0.00 -1.09 0.00 0.00 33.01 29.81 1hvj s GLN 7 CO 0.87 -0.29 1.53 0.54 -1.32 0.00 0.00 175.29 176.63 1hvj n ARG 8 N -1.46 2.46 -1.96 9.60 1.74 -1.26 -4.86 116.66 120.90 1hvj n ARG 8 Ca -0.01 0.87 -0.42 0.00 -0.77 0.00 0.00 57.85 57.53 1hvj n ARG 8 Cb 0.64 -2.61 -0.01 0.00 -1.02 0.00 0.00 32.46 29.46 1hvj n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1hvj n PRO 9 N 2.12 2.84 -3.30 5.56 -0.04 -1.26 -4.91 135.00 136.01 1hvj n PRO 9 Ca 0.10 -2.76 -0.38 0.00 -0.04 0.00 0.00 63.50 60.42 1hvj n PRO 9 Cb 0.35 -3.34 -0.06 0.00 -0.04 0.00 0.00 33.50 30.40 1hvj n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1hvj s LEU 10 N 2.99 4.26 0.34 1.53 1.43 -1.26 -0.42 118.68 127.56 1hvj s LEU 10 Ca 0.50 0.80 0.04 0.00 -1.03 0.00 0.00 54.13 54.44 1hvj s LEU 10 Cb 0.11 -2.70 -0.06 0.00 0.03 0.00 0.00 46.19 43.57 1hvj s LEU 10 CO -0.02 -0.02 0.06 0.68 0.23 0.00 0.00 176.35 177.28 1hvj s VAL 11 N 0.76 1.15 -0.06 -1.59 -7.23 0.11 -4.91 120.40 108.63 1hvj s VAL 11 Ca 0.26 -2.00 -0.24 0.00 -1.81 0.00 0.00 61.98 58.19 1hvj s VAL 11 Cb -0.15 -2.73 -0.04 0.00 0.56 0.00 0.00 36.38 34.02 1hvj s VAL 11 CO 0.10 0.00 0.72 -0.89 -0.31 0.00 0.00 175.10 174.72 1hvj s THR 12 N -3.26 5.03 0.17 5.32 2.01 -1.26 -0.03 115.64 123.62 1hvj s THR 12 Ca 0.34 1.49 0.08 0.00 0.31 0.00 0.00 61.69 63.91 1hvj s THR 12 Cb 0.08 -4.06 -0.04 0.00 0.01 0.00 0.00 72.50 68.49 1hvj s THR 12 CO 0.15 0.25 -0.04 0.27 -0.69 0.00 0.00 174.62 174.55 1hvj s ILE 13 N 0.81 3.51 -0.09 1.82 -4.36 0.70 -2.93 121.20 120.66 1hvj s ILE 13 Ca 0.39 -1.48 0.02 0.00 -0.26 0.00 0.00 60.65 59.32 1hvj s ILE 13 Cb -0.18 -2.74 -0.02 0.00 1.25 0.00 0.00 42.46 40.77 1hvj s ILE 13 CO 0.19 -0.08 -0.15 -0.75 0.24 0.00 0.00 174.94 174.39 1hvj s LYS 14 N -2.81 2.96 -0.20 0.37 2.20 -0.03 -1.45 119.74 120.78 1hvj s LYS 14 Ca 0.26 -0.71 -0.15 0.00 -0.36 0.00 0.00 55.97 55.01 1hvj s LYS 14 Cb -0.09 -2.49 0.06 0.00 -1.51 0.00 0.00 37.83 33.80 1hvj s LYS 14 CO 0.17 0.40 0.50 -1.50 -0.36 0.00 0.00 175.35 174.55 1hvj s ILE 15 N -0.14 -0.01 -1.21 5.43 2.07 -0.04 -1.07 121.20 126.23 1hvj s ILE 15 Ca -0.01 0.03 0.00 0.00 -1.41 0.00 0.00 60.65 59.26 1hvj s ILE 15 Cb -0.14 -0.71 0.00 0.00 0.13 0.00 0.00 42.46 41.74 1hvj s ILE 15 CO 0.03 0.01 0.00 0.61 -1.91 0.00 0.00 174.94 173.69 1hvj n GLY 16 N 3.47 0.02 3.27 1.50 0.00 -1.26 0.29 105.19 112.48 1hvj n GLY 16 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1hvj n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hvj n GLY 17 N -0.65 2.63 3.88 -0.02 0.00 -1.26 -5.02 105.19 104.75 1hvj n GLY 17 Ca -0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.57 1hvj n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1hvj s GLN 18 N 0.00 3.74 -0.18 1.61 -1.52 0.15 -5.07 119.66 118.39 1hvj s GLN 18 Ca 0.00 0.37 -0.14 0.00 -1.95 0.00 0.00 55.36 53.64 1hvj s GLN 18 Cb 0.00 -2.44 -0.05 0.00 -0.22 0.00 0.00 33.01 30.31 1hvj s GLN 18 CO 0.00 0.00 0.30 -0.51 -0.25 0.00 0.00 175.29 174.83 1hvj s LEU 19 N -3.84 4.21 0.21 2.90 1.02 -1.26 -0.86 118.68 121.05 1hvj s LEU 19 Ca 0.50 0.47 0.05 0.00 0.02 0.00 0.00 54.13 55.16 1hvj s LEU 19 Cb -0.10 -2.38 -0.05 0.00 0.02 0.00 0.00 46.19 43.68 1hvj s LEU 19 CO 0.32 0.06 -0.06 -0.54 0.02 0.00 0.00 176.35 176.14 1hvj s LYS 20 N 0.72 1.27 -0.05 1.70 3.01 -0.53 -4.99 119.74 120.87 1hvj s LYS 20 Ca 0.16 -1.60 -0.05 0.00 -1.01 0.00 0.00 55.97 53.46 1hvj s LYS 20 Cb -0.13 -0.75 -0.04 0.00 -1.01 0.00 0.00 37.83 35.89 1hvj s LYS 20 CO 0.05 0.01 0.19 -1.21 0.51 0.00 0.00 175.35 174.90 1hvj s GLU 21 N -3.78 3.48 0.08 1.68 2.02 -1.26 -0.22 118.70 120.70 1hvj s GLU 21 Ca 0.24 -0.18 -0.02 0.00 0.02 0.00 0.00 54.97 55.03 1hvj s GLU 21 Cb 0.04 -3.13 -0.03 0.00 0.10 0.00 0.00 34.13 31.10 1hvj s GLU 21 CO 0.06 0.71 0.04 0.00 0.02 0.00 0.00 175.26 176.09 1hvj s ALA 22 N -1.20 0.46 -0.23 5.21 0.00 0.95 -4.44 121.76 122.51 1hvj s ALA 22 Ca 0.23 -1.17 -0.12 0.00 0.00 0.00 0.00 51.96 50.90 1hvj s ALA 22 Cb -0.13 0.47 -0.05 0.00 0.00 0.00 0.00 23.12 23.42 1hvj s ALA 22 CO 0.12 -0.43 0.22 -1.17 0.00 0.00 0.00 175.76 174.50 1hvj s LEU 23 N -2.94 4.12 -0.44 0.00 2.96 0.13 0.07 118.68 122.58 1hvj s LEU 23 Ca 0.11 0.20 -0.29 0.00 -0.22 0.00 0.00 54.13 53.93 1hvj s LEU 23 Cb 0.07 -2.20 0.01 0.00 0.50 0.00 0.00 46.19 44.57 1hvj s LEU 23 CO -0.07 0.02 1.38 -0.76 -1.32 0.00 0.00 176.35 175.60 1hvj s LEU 24 N 1.17 3.57 -0.44 -0.68 1.43 0.44 -0.74 118.68 123.43 1hvj s LEU 24 Ca 0.10 0.73 0.03 0.00 -1.03 0.00 0.00 54.13 53.96 1hvj s LEU 24 Cb -0.14 -3.50 0.12 0.00 0.03 0.00 0.00 46.19 42.70 1hvj s LEU 24 CO 0.06 -1.44 0.20 -0.62 0.23 0.00 0.00 176.35 174.77 1hvj s ASP 25 N 3.80 4.16 0.58 2.29 2.15 -0.28 -4.86 116.67 124.52 1hvj s ASP 25 Ca 0.59 -2.58 0.38 0.00 0.43 0.00 0.00 52.55 51.37 1hvj s ASP 25 Cb -0.12 -1.36 2.08 0.00 -0.30 0.00 0.00 42.92 43.21 1hvj s ASP 25 CO 0.32 -0.29 2.17 0.71 -0.17 0.00 0.00 175.17 177.91 1hvj h THR 26 N 5.74 0.00 -0.04 1.71 1.35 -1.93 -1.63 112.91 118.10 1hvj h THR 26 Ca -0.06 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.80 1hvj h THR 26 Cb 0.94 0.85 0.00 0.00 -1.73 0.00 0.00 68.15 68.21 1hvj h THR 26 CO 0.57 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.45 1hvj n GLY 27 N -1.14 -0.40 3.55 5.82 0.00 -1.26 -4.80 105.19 106.97 1hvj n GLY 27 Ca -0.03 -0.31 -0.34 0.00 0.00 0.00 0.00 46.02 45.34 1hvj n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hvj s ALA 28 N -1.96 3.16 0.28 4.61 0.00 -0.61 -4.99 121.76 122.25 1hvj s ALA 28 Ca 0.38 -0.79 0.14 0.00 0.00 0.00 0.00 51.96 51.69 1hvj s ALA 28 Cb 0.19 -1.69 0.60 0.00 0.00 0.00 0.00 23.12 22.21 1hvj s ALA 28 CO 0.31 0.21 1.73 -0.44 0.00 0.00 0.00 175.76 177.56 1hvj h ASP 29 N 6.66 0.00 -2.83 0.00 5.19 -1.87 0.99 116.42 124.56 1hvj h ASP 29 Ca -0.34 0.00 -0.51 0.00 -0.62 0.00 0.00 57.03 55.57 1hvj h ASP 29 Cb 1.18 0.00 -0.14 0.00 0.18 0.00 0.00 39.33 40.55 1hvj h ASP 29 CO 0.66 0.46 -0.67 -1.81 -3.12 0.00 0.00 179.24 174.76 1hvj s ASP 30 N -6.72 2.85 -0.24 6.45 1.01 -1.26 -2.66 116.67 116.10 1hvj s ASP 30 Ca -0.01 -1.21 -0.09 0.00 0.71 0.00 0.00 52.55 51.94 1hvj s ASP 30 Cb 0.13 -0.18 -0.04 0.00 1.01 0.00 0.00 42.92 43.83 1hvj s ASP 30 CO 0.72 -0.35 0.13 -0.89 0.21 0.00 0.00 175.17 174.99 1hvj s THR 31 N -2.99 5.05 -0.14 -1.27 2.01 -1.26 -3.17 115.64 113.87 1hvj s THR 31 Ca 0.30 0.07 0.01 0.00 0.31 0.00 0.00 61.69 62.38 1hvj s THR 31 Cb 0.04 -3.35 0.02 0.00 0.01 0.00 0.00 72.50 69.22 1hvj s THR 31 CO 0.13 0.34 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.56 1hvj s VAL 32 N 1.21 1.56 0.19 3.82 1.01 -0.48 -0.09 120.40 127.62 1hvj s VAL 32 Ca 0.06 -0.64 0.09 0.00 0.00 0.00 0.00 61.98 61.49 1hvj s VAL 32 Cb -0.14 -1.46 -0.04 0.00 0.00 0.00 0.00 36.38 34.74 1hvj s VAL 32 CO 0.05 0.46 -0.09 -0.76 0.00 0.00 0.00 175.10 174.76 1hvj s LEU 33 N 1.35 2.97 0.78 3.92 1.43 0.13 -0.02 118.68 129.24 1hvj s LEU 33 Ca 0.02 -0.60 -0.15 0.00 -1.03 0.00 0.00 54.13 52.37 1hvj s LEU 33 Cb -0.13 -1.63 0.01 0.00 0.03 0.00 0.00 46.19 44.46 1hvj s LEU 33 CO -0.08 0.09 0.71 -1.84 0.23 0.00 0.00 176.35 175.45 1hvj n GLU 34 N -0.07 0.20 -1.65 1.70 0.28 -1.26 -0.93 120.64 118.92 1hvj n GLU 34 Ca -0.10 0.12 -0.47 0.00 -0.16 0.00 0.00 57.16 56.54 1hvj n GLU 34 Cb 0.56 -2.01 -0.05 0.00 1.43 0.00 0.00 31.44 31.37 1hvj n GLU 34 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 1hvj n GLU 35 N -1.58 1.91 -3.49 3.44 0.00 -1.17 -4.36 120.64 115.39 1hvj n GLU 35 Ca 0.11 0.69 -0.14 0.00 0.00 0.00 0.00 57.16 57.82 1hvj n GLU 35 Cb 0.51 -2.43 -0.04 0.00 0.00 0.00 0.00 31.44 29.48 1hvj n GLU 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1hvj s MET 36 N 0.89 1.06 -0.45 5.31 0.23 -1.26 -5.00 119.30 120.07 1hvj s MET 36 Ca 0.80 -0.10 -0.25 0.00 -1.03 0.00 0.00 55.69 55.12 1hvj s MET 36 Cb -0.75 0.49 0.03 0.00 -1.53 0.00 0.00 34.83 33.07 1hvj s MET 36 CO 0.40 -0.40 0.90 -1.54 -2.03 0.00 0.00 175.02 172.35 1hvj s SER 37 N -1.93 6.50 0.03 -1.18 1.04 -1.26 -5.02 113.70 111.88 1hvj s SER 37 Ca -0.03 0.13 0.00 0.00 0.48 0.00 0.00 55.95 56.53 1hvj s SER 37 Cb -0.01 -2.44 -0.04 0.00 0.10 0.00 0.00 66.02 63.63 1hvj s SER 37 CO -0.02 -1.00 0.12 -0.76 0.98 0.00 0.00 173.24 172.56 1hvj s LEU 38 N 3.64 4.04 0.39 2.42 1.43 -1.26 -5.07 118.68 124.28 1hvj s LEU 38 Ca 0.36 0.16 -0.27 0.00 -1.03 0.00 0.00 54.13 53.35 1hvj s LEU 38 Cb -0.11 -2.52 -0.09 0.00 0.03 0.00 0.00 46.19 43.50 1hvj s LEU 38 CO 0.25 0.22 1.33 -2.16 0.23 0.00 0.00 176.35 176.23 1hvj s PRO 39 N -2.10 4.02 0.00 1.29 0.04 -1.26 -4.91 135.00 132.08 1hvj s PRO 39 Ca 0.28 2.23 0.00 0.00 0.04 0.00 0.00 61.00 63.55 1hvj s PRO 39 Cb -0.12 -2.82 0.00 0.00 0.04 0.00 0.00 34.50 31.59 1hvj s PRO 39 CO 0.20 -0.48 0.00 0.41 0.04 0.00 0.00 177.00 177.17 1hvj n GLY 40 N 0.66 2.75 3.85 0.56 0.00 -1.26 -5.04 105.19 106.71 1hvj n GLY 40 Ca 0.03 -2.08 -0.32 0.00 0.00 0.00 0.00 46.02 43.65 1hvj n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1hvj s ARG 41 N -2.37 3.97 0.04 1.61 3.00 -1.26 -5.07 118.95 118.87 1hvj s ARG 41 Ca 0.00 0.68 -0.01 0.00 0.00 0.00 0.00 55.73 56.40 1hvj s ARG 41 Cb 0.00 -2.38 -0.03 0.00 0.00 0.00 0.00 34.95 32.54 1hvj s ARG 41 CO 0.00 0.07 -0.01 1.67 0.00 0.00 0.00 175.30 177.03 1hvj s TRP 42 N -2.12 0.38 -0.07 -0.53 1.48 -1.26 -4.63 118.94 112.18 1hvj s TRP 42 Ca 0.54 -0.79 0.02 0.00 -1.06 0.00 0.00 56.10 54.82 1hvj s TRP 42 Cb -0.10 -0.28 -0.03 0.00 -1.16 0.00 0.00 33.47 31.90 1hvj s TRP 42 CO 0.21 -0.31 -0.11 0.15 -4.06 0.00 0.00 176.95 172.83 1hvj s LYS 43 N -2.82 2.73 0.14 3.25 3.01 -0.63 -4.87 119.74 120.55 1hvj s LYS 43 Ca -0.03 -0.64 -0.31 0.00 -1.01 0.00 0.00 55.97 53.98 1hvj s LYS 43 Cb -0.00 -2.50 -0.09 0.00 -1.01 0.00 0.00 37.83 34.23 1hvj s LYS 43 CO -0.06 0.58 1.55 -1.25 0.51 0.00 0.00 175.35 176.68 1hvj s PRO 44 N -0.59 4.23 0.13 -1.68 0.04 -1.26 0.39 135.00 136.26 1hvj s PRO 44 Ca 0.09 2.31 0.02 0.00 0.04 0.00 0.00 61.00 63.45 1hvj s PRO 44 Cb -0.11 -3.24 -0.04 0.00 0.04 0.00 0.00 34.50 31.14 1hvj s PRO 44 CO 0.01 -0.60 -0.04 0.21 0.04 0.00 0.00 177.00 176.63 1hvj s LYS 45 N 1.37 0.94 0.06 4.56 2.20 0.17 -4.89 119.74 124.16 1hvj s LYS 45 Ca 0.70 -1.41 0.06 0.00 -0.36 0.00 0.00 55.97 54.96 1hvj s LYS 45 Cb -0.42 -0.23 -0.04 0.00 -1.51 0.00 0.00 37.83 35.63 1hvj s LYS 45 CO 0.31 -0.06 -0.13 -1.64 -0.36 0.00 0.00 175.35 173.47 1hvj s MET 46 N -3.86 2.17 0.02 4.03 -1.94 -1.26 -0.17 119.30 118.28 1hvj s MET 46 Ca 0.17 -0.96 0.00 0.00 -1.71 0.00 0.00 55.69 53.19 1hvj s MET 46 Cb 0.05 -2.29 -0.02 0.00 2.01 0.00 0.00 34.83 34.59 1hvj s MET 46 CO -0.01 0.54 -0.03 0.96 -0.01 0.00 0.00 175.02 176.46 1hvj s ILE 47 N -1.06 0.16 0.39 2.53 -5.25 -0.40 -4.96 121.20 112.61 1hvj s ILE 47 Ca 0.18 -0.84 0.05 0.00 -0.99 0.00 0.00 60.65 59.05 1hvj s ILE 47 Cb -0.11 -0.28 -0.06 0.00 2.95 0.00 0.00 42.46 44.96 1hvj s ILE 47 CO 0.09 -0.43 0.03 -0.83 -1.79 0.00 0.00 174.94 172.02 1hvj s GLY 48 N -1.32 2.41 0.00 6.27 0.00 -1.26 -0.89 107.32 112.53 1hvj s GLY 48 Ca -0.14 -1.96 0.00 0.00 0.00 0.00 0.00 44.72 42.63 1hvj s GLY 48 CO -0.01 -1.99 0.00 0.61 0.00 0.00 0.00 173.10 171.71 1hvj n GLY 49 N -0.89 2.41 3.71 0.20 0.00 -0.39 -5.01 105.19 105.22 1hvj n GLY 49 Ca -0.05 -0.21 -0.42 0.00 0.00 0.00 0.00 46.02 45.33 1hvj n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1hvj s ILE 50 N -0.30 2.34 0.00 -0.61 -1.09 -1.26 -2.35 121.20 117.92 1hvj s ILE 50 Ca 0.00 0.12 0.00 0.00 -2.23 0.00 0.00 60.65 58.54 1hvj s ILE 50 Cb 0.00 -3.07 0.00 0.00 -1.58 0.00 0.00 42.46 37.81 1hvj s ILE 50 CO 0.00 0.01 0.00 0.61 -1.23 0.00 0.00 174.94 174.33 1hvj n GLY 51 N 4.03 3.34 0.00 6.18 0.00 -1.26 -4.93 105.19 112.56 1hvj n GLY 51 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1hvj n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hvj n GLY 52 N -2.00 0.42 3.40 -0.02 0.00 -0.99 -5.07 105.19 100.93 1hvj n GLY 52 Ca 0.00 -1.86 -0.32 0.00 0.00 0.00 0.00 46.02 43.84 1hvj n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1hvj s PHE 53 N -1.54 2.60 0.12 1.61 0.08 -1.26 -1.26 117.98 118.32 1hvj s PHE 53 Ca 0.00 -0.34 0.10 0.00 0.12 0.00 0.00 56.93 56.81 1hvj s PHE 53 Cb 0.00 -1.62 -0.04 0.00 -0.57 0.00 0.00 43.02 40.79 1hvj s PHE 53 CO 0.00 0.05 -0.22 0.96 -0.10 0.00 0.00 175.22 175.91 1hvj s ILE 54 N -0.53 2.61 -0.02 0.64 -4.36 -0.06 -4.96 121.20 114.52 1hvj s ILE 54 Ca 0.07 -1.59 -0.26 0.00 -0.26 0.00 0.00 60.65 58.62 1hvj s ILE 54 Cb -0.11 -2.18 -0.04 0.00 1.25 0.00 0.00 42.46 41.38 1hvj s ILE 54 CO 0.01 0.11 0.80 -0.54 0.24 0.00 0.00 174.94 175.56 1hvj s LYS 55 N -2.07 4.49 0.26 0.37 1.02 -1.26 -1.27 119.74 121.27 1hvj s LYS 55 Ca 0.16 1.08 0.03 0.00 0.02 0.00 0.00 55.97 57.27 1hvj s LYS 55 Cb -0.10 -3.43 -0.05 0.00 -0.52 0.00 0.00 37.83 33.72 1hvj s LYS 55 CO 0.08 0.09 0.02 0.14 -0.92 0.00 0.00 175.35 174.76 1hvj s VAL 56 N 0.64 1.02 -0.25 3.17 -7.23 0.76 -4.41 120.40 114.10 1hvj s VAL 56 Ca 0.42 -2.02 -0.09 0.00 -1.81 0.00 0.00 61.98 58.48 1hvj s VAL 56 Cb -0.19 -2.50 -0.04 0.00 0.56 0.00 0.00 36.38 34.21 1hvj s VAL 56 CO 0.22 -0.20 0.11 -0.13 -0.31 0.00 0.00 175.10 174.80 1hvj s ARG 57 N -3.89 3.80 -0.28 4.82 0.52 0.44 -0.65 118.95 123.70 1hvj s ARG 57 Ca 0.32 -0.41 -0.27 0.00 -0.52 0.00 0.00 55.73 54.85 1hvj s ARG 57 Cb 0.07 -3.43 0.01 0.00 0.52 0.00 0.00 34.95 32.12 1hvj s ARG 57 CO 0.11 -0.13 0.96 -1.14 0.02 0.00 0.00 175.30 175.13 1hvj s GLN 58 N 1.51 4.11 -0.27 3.54 0.74 0.16 -0.78 119.66 128.67 1hvj s GLN 58 Ca 0.06 1.01 -0.08 0.00 0.05 0.00 0.00 55.36 56.40 1hvj s GLN 58 Cb -0.15 -3.70 -0.03 0.00 1.10 0.00 0.00 33.01 30.24 1hvj s GLN 58 CO 0.06 -0.72 0.10 0.71 -0.55 0.00 0.00 175.29 174.88 1hvj s TYR 59 N 3.26 3.12 0.43 1.67 1.51 0.91 -1.60 117.35 126.65 1hvj s TYR 59 Ca 0.40 -0.40 -0.12 0.00 -1.01 0.00 0.00 57.07 55.94 1hvj s TYR 59 Cb -0.14 -2.28 -0.07 0.00 -0.11 0.00 0.00 41.96 39.37 1hvj s TYR 59 CO 0.11 -0.36 0.83 -0.51 -1.11 0.00 0.00 175.55 174.51 1hvj s ASP 60 N 1.63 6.55 -1.36 2.29 1.01 -1.26 -0.24 116.67 125.30 1hvj s ASP 60 Ca 0.06 1.26 -0.08 0.00 0.71 0.00 0.00 52.55 54.50 1hvj s ASP 60 Cb -0.16 -2.38 0.05 0.00 1.01 0.00 0.00 42.92 41.45 1hvj s ASP 60 CO 0.05 -0.45 0.53 0.00 0.21 0.00 0.00 175.17 175.51 1hvj n GLN 61 N -1.36 -3.84 -2.86 8.23 6.02 -1.20 -4.89 117.38 117.48 1hvj n GLN 61 Ca 0.04 0.59 -0.41 0.00 -0.01 0.00 0.00 57.00 57.21 1hvj n GLN 61 Cb 0.54 -5.35 -0.04 0.00 1.02 0.00 0.00 30.24 26.41 1hvj n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1hvj s ILE 62 N -3.00 4.78 -0.06 5.09 -1.09 0.30 -4.62 121.20 122.59 1hvj s ILE 62 Ca 0.37 1.82 -0.25 0.00 -2.23 0.00 0.00 60.65 60.36 1hvj s ILE 62 Cb -0.19 -4.21 -0.03 0.00 -1.58 0.00 0.00 42.46 36.45 1hvj s ILE 62 CO 0.46 0.28 0.77 -0.22 -1.23 0.00 0.00 174.94 175.00 1hvj s LEU 63 N 0.41 4.31 0.01 2.97 1.98 -1.26 -1.05 118.68 126.06 1hvj s LEU 63 Ca 0.44 1.28 0.01 0.00 -2.89 0.00 0.00 54.13 52.97 1hvj s LEU 63 Cb -0.21 -3.20 -0.01 0.00 0.66 0.00 0.00 46.19 43.44 1hvj s LEU 63 CO 0.25 -0.17 -0.04 -0.51 -1.89 0.00 0.00 176.35 173.99 1hvj s ILE 64 N 0.99 0.25 -0.17 6.68 2.07 0.34 -4.52 121.20 126.84 1hvj s ILE 64 Ca 0.40 -0.54 0.01 0.00 -1.41 0.00 0.00 60.65 59.11 1hvj s ILE 64 Cb -0.18 -0.30 0.02 0.00 0.13 0.00 0.00 42.46 42.13 1hvj s ILE 64 CO 0.19 -0.19 -0.20 -0.70 -1.91 0.00 0.00 174.94 172.13 1hvj s GLU 65 N -0.78 2.99 -0.31 3.50 2.12 -0.23 -0.44 118.70 125.55 1hvj s GLU 65 Ca -0.06 -0.83 -0.03 0.00 0.36 0.00 0.00 54.97 54.41 1hvj s GLU 65 Cb -0.05 -2.53 0.05 0.00 0.26 0.00 0.00 34.13 31.85 1hvj s GLU 65 CO -0.00 -0.16 0.02 0.42 -0.54 0.00 0.00 175.26 175.00 1hvj s ILE 66 N 1.17 3.14 -1.43 -3.70 1.01 0.14 -0.85 121.20 120.68 1hvj s ILE 66 Ca 0.02 -1.33 -0.05 0.00 0.00 0.00 0.00 60.65 59.29 1hvj s ILE 66 Cb -0.14 -2.80 0.01 0.00 0.01 0.00 0.00 42.46 39.54 1hvj s ILE 66 CO -0.10 -0.11 0.28 0.00 0.00 0.00 0.00 174.94 175.00 1hvj n GLY 68 N -2.26 0.35 3.50 0.00 0.00 -1.26 -5.00 105.19 100.53 1hvj n GLY 68 Ca -0.28 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.40 1hvj n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1hvj s HIS 69 N -1.85 3.03 0.19 1.61 4.02 -0.00 -5.08 115.29 117.21 1hvj s HIS 69 Ca 0.00 -0.28 -0.30 0.00 1.02 0.00 0.00 55.06 55.50 1hvj s HIS 69 Cb 0.00 -1.95 -0.08 0.00 -1.02 0.00 0.00 32.58 29.53 1hvj s HIS 69 CO 0.00 -0.02 1.05 0.15 1.02 0.00 0.00 174.74 176.94 1hvj s LYS 70 N 0.32 4.67 0.01 1.40 1.02 -1.26 0.27 119.74 126.17 1hvj s LYS 70 Ca -0.04 1.64 0.03 0.00 0.02 0.00 0.00 55.97 57.62 1hvj s LYS 70 Cb -0.14 -3.29 -0.01 0.00 -0.52 0.00 0.00 37.83 33.87 1hvj s LYS 70 CO 0.03 0.20 -0.09 0.00 -0.92 0.00 0.00 175.35 174.57 1hvj s ALA 71 N -0.48 0.69 -0.19 5.17 0.00 0.42 -4.74 121.76 122.63 1hvj s ALA 71 Ca 0.47 -0.51 -0.01 0.00 0.00 0.00 0.00 51.96 51.91 1hvj s ALA 71 Cb -0.28 -0.11 0.05 0.00 0.00 0.00 0.00 23.12 22.79 1hvj s ALA 71 CO 0.34 0.12 -0.02 0.42 0.00 0.00 0.00 175.76 176.62 1hvj s ILE 72 N -0.58 1.03 0.00 0.00 1.01 -1.26 -0.50 121.20 120.90 1hvj s ILE 72 Ca -0.01 -0.77 0.00 0.00 0.00 0.00 0.00 60.65 59.87 1hvj s ILE 72 Cb -0.05 -1.34 0.00 0.00 0.01 0.00 0.00 42.46 41.07 1hvj s ILE 72 CO 0.00 -0.05 0.00 0.61 0.00 0.00 0.00 174.94 175.50 1hvj n GLY 73 N 4.88 1.25 3.69 6.18 0.00 -0.22 -4.81 105.19 116.16 1hvj n GLY 73 Ca -0.11 -0.86 -0.42 0.00 0.00 0.00 0.00 46.02 44.63 1hvj n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1hvj s THR 74 N -2.47 4.44 -0.13 2.61 2.01 -1.26 -0.54 115.64 120.31 1hvj s THR 74 Ca 0.00 1.75 -0.00 0.00 0.31 0.00 0.00 61.69 63.75 1hvj s THR 74 Cb 0.00 -4.12 -0.02 0.00 0.01 0.00 0.00 72.50 68.37 1hvj s THR 74 CO 0.00 0.04 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.15 1hvj s VAL 75 N 1.85 3.10 -0.13 3.82 1.01 0.67 -4.52 120.40 126.21 1hvj s VAL 75 Ca 0.54 -0.65 -0.18 0.00 0.00 0.00 0.00 61.98 61.69 1hvj s VAL 75 Cb -0.23 -2.30 -0.04 0.00 0.00 0.00 0.00 36.38 33.81 1hvj s VAL 75 CO 0.23 0.53 0.48 -0.76 0.00 0.00 0.00 175.10 175.57 1hvj s LEU 76 N 0.27 4.26 -0.13 3.92 1.43 0.87 -0.06 118.68 129.24 1hvj s LEU 76 Ca -0.09 0.80 -0.01 0.00 -1.03 0.00 0.00 54.13 53.79 1hvj s LEU 76 Cb -0.15 -2.69 -0.02 0.00 0.03 0.00 0.00 46.19 43.35 1hvj s LEU 76 CO 0.05 -0.02 -0.09 -0.69 0.23 0.00 0.00 176.35 175.83 1hvj s VAL 77 N 0.73 3.43 -1.25 -1.59 1.01 0.04 0.17 120.40 122.95 1hvj s VAL 77 Ca 0.26 -0.54 0.00 0.00 0.00 0.00 0.00 61.98 61.70 1hvj s VAL 77 Cb -0.15 -2.46 0.00 0.00 0.00 0.00 0.00 36.38 33.77 1hvj s VAL 77 CO 0.10 0.53 0.00 0.61 0.00 0.00 0.00 175.10 176.34 1hvj n GLY 78 N 3.31 -1.37 2.56 4.51 0.00 -0.10 -0.42 105.19 113.68 1hvj n GLY 78 Ca -0.18 -0.97 -0.36 0.00 0.00 0.00 0.00 46.02 44.52 1hvj n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1hvj n PRO 79 N -0.08 2.86 -3.28 1.61 -0.04 -1.26 -3.07 135.00 131.75 1hvj n PRO 79 Ca 0.00 -2.04 -0.39 0.00 -0.04 0.00 0.00 63.50 61.03 1hvj n PRO 79 Cb 0.00 -2.82 -0.06 0.00 -0.04 0.00 0.00 33.50 30.58 1hvj n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1hvj s THR 80 N 3.01 4.79 0.46 0.52 -1.32 -1.26 -4.99 115.64 116.86 1hvj s THR 80 Ca 0.56 1.20 0.21 0.00 -1.21 0.00 0.00 61.69 62.44 1hvj s THR 80 Cb 0.15 -3.89 0.39 0.00 -1.51 0.00 0.00 72.50 67.64 1hvj s THR 80 CO -0.04 0.53 1.90 -0.65 -2.21 0.00 0.00 174.62 174.15 1hvj h PRO 81 N 4.78 0.27 -3.46 7.08 0.11 -1.99 -3.44 132.00 135.34 1hvj h PRO 81 Ca -0.49 -0.02 -0.15 0.00 0.11 0.00 0.00 66.00 65.46 1hvj h PRO 81 Cb 1.21 -0.06 -0.21 0.00 0.11 0.00 0.00 31.00 32.05 1hvj h PRO 81 CO 0.65 0.18 -0.48 0.54 -0.21 0.00 0.00 178.00 178.67 1hvj s VAL 82 N -5.28 0.07 -0.02 3.15 0.11 -1.26 -5.09 120.40 112.08 1hvj s VAL 82 Ca -0.07 -0.57 -0.30 0.00 -2.93 0.00 0.00 61.98 58.11 1hvj s VAL 82 Cb 0.22 -0.41 -0.06 0.00 -1.53 0.00 0.00 36.38 34.59 1hvj s VAL 82 CO 0.77 -0.31 1.62 0.20 -3.33 0.00 0.00 175.10 174.05 1hvj s ASN 83 N -1.14 6.68 -0.21 3.54 0.01 -1.26 -4.71 114.94 117.84 1hvj s ASN 83 Ca -0.12 2.28 -0.04 0.00 -0.71 0.00 0.00 52.86 54.26 1hvj s ASN 83 Cb -0.06 -2.54 -0.02 0.00 0.41 0.00 0.00 41.25 39.03 1hvj s ASN 83 CO 0.01 -0.89 -0.02 -0.63 -1.51 0.00 0.00 177.10 174.06 1hvj s ILE 84 N 3.51 3.69 -0.38 0.60 -1.09 0.97 0.17 121.20 128.68 1hvj s ILE 84 Ca 0.72 -0.40 -0.16 0.00 -2.23 0.00 0.00 60.65 58.59 1hvj s ILE 84 Cb -0.35 -2.67 0.00 0.00 -1.58 0.00 0.00 42.46 37.87 1hvj s ILE 84 CO 0.30 0.42 0.36 -0.63 -1.23 0.00 0.00 174.94 174.17 1hvj s ILE 85 N 1.20 5.17 0.43 2.92 -1.09 0.08 -1.39 121.20 128.52 1hvj s ILE 85 Ca 0.03 -0.23 0.04 0.00 -2.23 0.00 0.00 60.65 58.25 1hvj s ILE 85 Cb -0.14 -3.90 0.08 0.00 -1.58 0.00 0.00 42.46 36.91 1hvj s ILE 85 CO 0.00 -0.23 0.59 0.61 -1.23 0.00 0.00 174.94 174.68 1hvj n GLY 86 N 5.06 1.41 0.37 6.18 0.00 -1.19 -1.13 105.19 115.89 1hvj n GLY 86 Ca -0.09 -2.11 0.19 0.00 0.00 0.00 0.00 46.02 44.01 1hvj n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1hvj h ARG 87 N 0.00 0.00 -0.68 1.61 3.08 -0.90 -1.58 114.38 115.92 1hvj h ARG 87 Ca -0.20 0.00 0.08 0.00 0.07 0.00 0.00 59.98 59.93 1hvj h ARG 87 Cb 0.83 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.83 1hvj h ARG 87 CO 0.25 0.00 0.45 -2.95 -1.07 0.00 0.00 179.97 176.65 1hvj h ASN 88 N 0.00 0.54 0.14 7.04 -1.07 -1.76 -2.85 115.58 117.62 1hvj h ASN 88 Ca 0.23 0.01 -0.30 0.00 0.07 0.00 0.00 56.30 56.31 1hvj h ASN 88 Cb 0.95 -0.11 -0.06 0.00 -2.07 0.00 0.00 38.32 37.03 1hvj h ASN 88 CO -0.00 0.34 -2.15 0.18 0.07 0.00 0.00 177.43 175.87 1hvj n LEU 89 N -4.48 0.22 -0.17 6.14 4.77 -0.82 -4.23 117.00 118.43 1hvj n LEU 89 Ca 0.11 0.10 0.01 0.00 -0.03 0.00 0.00 56.01 56.20 1hvj n LEU 89 Cb 0.30 0.35 0.28 0.00 -2.33 0.00 0.00 43.42 42.02 1hvj n LEU 89 CO 0.33 0.39 1.22 -0.07 -1.33 0.00 0.00 177.39 177.94 1hvj h LEU 90 N 0.00 0.78 -0.70 2.23 3.38 -1.29 -2.45 115.31 117.26 1hvj h LEU 90 Ca -0.41 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.49 1hvj h LEU 90 Cb 2.01 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 42.54 1hvj h LEU 90 CO 0.04 0.56 0.25 0.71 0.09 0.00 0.00 178.44 180.09 1hvj h THR 91 N 0.92 1.25 -0.91 0.22 1.35 -1.71 -0.59 112.91 113.44 1hvj h THR 91 Ca 0.25 -0.83 0.13 0.00 -0.55 0.00 0.00 66.41 65.42 1hvj h THR 91 Cb -0.10 0.48 -0.07 0.00 -1.73 0.00 0.00 68.15 66.72 1hvj h THR 91 CO -0.06 0.33 0.59 1.56 -0.25 0.00 0.00 175.52 177.69 1hvj h GLN 92 N 1.01 0.76 -0.64 4.72 4.20 -1.62 -1.90 115.11 121.63 1hvj h GLN 92 Ca 0.23 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.89 1hvj h GLN 92 Cb 0.25 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 27.86 1hvj h GLN 92 CO -0.01 0.50 0.00 0.44 -0.67 0.00 0.00 178.83 179.09 1hvj n ILE 93 N -4.57 1.38 -1.73 2.54 -5.35 -1.06 -4.92 119.36 105.65 1hvj n ILE 93 Ca 0.17 -0.81 -0.06 0.00 -0.27 0.00 0.00 62.75 61.78 1hvj n ILE 93 Cb 0.42 -0.12 -0.01 0.00 -1.74 0.00 0.00 39.64 38.19 1hvj n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1hvj n GLY 94 N 0.71 0.43 3.69 3.28 0.00 -0.71 -4.98 105.19 107.60 1hvj n GLY 94 Ca 0.17 -0.68 -0.42 0.00 0.00 0.00 0.00 46.02 45.09 1hvj n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hvj s THR 96 N 2.00 1.92 -0.08 0.00 -4.23 -1.26 -4.71 115.64 109.28 1hvj s THR 96 Ca 0.54 -2.25 -0.16 0.00 -1.18 0.00 0.00 61.69 58.64 1hvj s THR 96 Cb -0.24 -2.17 -0.05 0.00 1.34 0.00 0.00 72.50 71.39 1hvj s THR 96 CO 0.22 -0.50 0.43 -0.76 -0.54 0.00 0.00 174.62 173.47 1hvj s LEU 97 N -3.39 4.35 -0.01 4.79 1.43 -1.26 -5.09 118.68 119.50 1hvj s LEU 97 Ca 0.25 0.84 0.05 0.00 -1.03 0.00 0.00 54.13 54.24 1hvj s LEU 97 Cb -0.01 -2.62 -0.01 0.00 0.03 0.00 0.00 46.19 43.58 1hvj s LEU 97 CO 0.10 0.13 -0.17 0.20 0.23 0.00 0.00 176.35 176.84 1hvj s ASN 98 N -0.03 1.99 0.00 2.29 -0.87 -1.26 -5.29 114.94 111.76 1hvj s ASN 98 Ca 0.24 -0.31 0.00 0.00 -1.57 0.00 0.00 52.86 51.22 1hvj s ASN 98 Cb -0.15 -0.22 0.00 0.00 -0.02 0.00 0.00 41.25 40.86 1hvj s ASN 98 CO 0.11 0.21 0.00 2.22 -2.57 0.00 0.00 177.10 177.06