#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hpv s GLN 2 N 0.00 3.99 -0.25 0.54 0.74 -1.26 -5.06 119.66 118.35 1hpv s GLN 2 Ca 0.00 -0.31 -0.04 0.00 0.05 0.00 0.00 55.36 55.07 1hpv s GLN 2 Cb 0.00 -3.57 0.01 0.00 1.10 0.00 0.00 33.01 30.55 1hpv s GLN 2 CO 0.00 -0.05 -0.02 0.42 -0.55 0.00 0.00 175.29 175.09 1hpv s ILE 3 N 1.38 3.32 0.48 -2.34 1.01 -1.26 -5.10 121.20 118.69 1hpv s ILE 3 Ca 0.07 -0.78 -0.14 0.00 0.00 0.00 0.00 60.65 59.80 1hpv s ILE 3 Cb -0.15 -2.64 -0.07 0.00 0.01 0.00 0.00 42.46 39.61 1hpv s ILE 3 CO 0.07 0.23 0.92 0.42 0.00 0.00 0.00 174.94 176.58 1hpv s THR 4 N 1.42 4.62 -0.42 2.92 -4.23 -1.26 -5.02 115.64 113.67 1hpv s THR 4 Ca 0.02 1.01 0.05 0.00 -1.18 0.00 0.00 61.69 61.60 1hpv s THR 4 Cb -0.16 -3.73 0.68 0.00 1.34 0.00 0.00 72.50 70.63 1hpv s THR 4 CO -0.02 -0.65 1.88 0.18 -0.54 0.00 0.00 174.62 175.46 1hpv n LEU 5 N -1.53 6.50 0.24 4.79 4.77 -1.26 -4.45 117.00 126.07 1hpv n LEU 5 Ca 0.05 -3.54 0.14 0.00 -0.03 0.00 0.00 56.01 52.63 1hpv n LEU 5 Cb 0.54 -0.81 0.43 0.00 -2.33 0.00 0.00 43.42 41.25 1hpv n LEU 5 CO 0.47 1.01 0.88 -0.50 -1.33 0.00 0.00 177.39 177.92 1hpv h TRP 6 N 1.33 0.00 -3.16 -1.77 4.06 -2.06 -3.44 115.95 110.91 1hpv h TRP 6 Ca 0.55 0.00 -0.44 0.00 2.06 0.00 0.00 58.89 61.05 1hpv h TRP 6 Cb 2.72 0.00 -0.16 0.00 -1.00 0.00 0.00 29.16 30.72 1hpv h TRP 6 CO 1.51 0.05 -0.75 -0.65 -3.56 0.00 0.00 178.44 175.05 1hpv s GLN 7 N -3.46 1.23 0.24 0.49 -1.52 -1.26 -5.10 119.66 110.28 1hpv s GLN 7 Ca 0.03 -1.46 -0.31 0.00 -1.95 0.00 0.00 55.36 51.67 1hpv s GLN 7 Cb 0.07 -1.07 -0.13 0.00 -0.22 0.00 0.00 33.01 31.67 1hpv s GLN 7 CO 0.61 0.19 1.47 0.54 -0.25 0.00 0.00 175.29 177.85 1hpv n ARG 8 N -0.03 2.20 -2.58 2.91 1.74 -1.26 -4.85 116.66 114.79 1hpv n ARG 8 Ca -0.11 0.78 -0.42 0.00 -0.77 0.00 0.00 57.85 57.34 1hpv n ARG 8 Cb 0.59 -2.48 -0.02 0.00 -1.02 0.00 0.00 32.46 29.53 1hpv n ARG 8 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1hpv s PRO 9 N -0.29 3.76 -0.13 5.56 0.04 -1.26 -4.97 135.00 137.72 1hpv s PRO 9 Ca 0.68 -1.51 -0.07 0.00 0.04 0.00 0.00 61.00 60.14 1hpv s PRO 9 Cb -0.62 -5.43 -0.04 0.00 0.04 0.00 0.00 34.50 28.45 1hpv s PRO 9 CO 0.48 -2.22 0.13 -0.51 0.04 0.00 0.00 177.00 174.92 1hpv s LEU 10 N 4.61 4.34 0.12 -3.56 1.43 -1.26 -1.07 118.68 123.30 1hpv s LEU 10 Ca 0.49 0.43 0.04 0.00 -1.03 0.00 0.00 54.13 54.07 1hpv s LEU 10 Cb 0.02 -2.06 -0.04 0.00 0.03 0.00 0.00 46.19 44.13 1hpv s LEU 10 CO -0.02 0.39 -0.11 0.68 0.23 0.00 0.00 176.35 177.52 1hpv s VAL 11 N -0.89 1.10 -0.11 -1.59 -7.23 0.53 -4.92 120.40 107.28 1hpv s VAL 11 Ca 0.14 -1.84 -0.23 0.00 -1.81 0.00 0.00 61.98 58.23 1hpv s VAL 11 Cb -0.12 -1.61 -0.03 0.00 0.56 0.00 0.00 36.38 35.18 1hpv s VAL 11 CO 0.03 -0.63 0.72 -0.89 -0.31 0.00 0.00 175.10 174.02 1hpv s THR 12 N -2.81 5.01 0.13 5.32 2.01 -1.26 -0.18 115.64 123.85 1hpv s THR 12 Ca 0.11 1.44 0.10 0.00 0.31 0.00 0.00 61.69 63.65 1hpv s THR 12 Cb -0.01 -4.04 -0.04 0.00 0.01 0.00 0.00 72.50 68.42 1hpv s THR 12 CO 0.01 0.18 -0.23 0.27 -0.69 0.00 0.00 174.62 174.15 1hpv s ILE 13 N 1.28 1.99 -0.19 1.82 -4.36 -0.16 -2.20 121.20 119.36 1hpv s ILE 13 Ca 0.36 -1.70 0.01 0.00 -0.26 0.00 0.00 60.65 59.06 1hpv s ILE 13 Cb -0.17 -1.80 0.03 0.00 1.25 0.00 0.00 42.46 41.76 1hpv s ILE 13 CO 0.16 -0.03 -0.18 -0.75 0.24 0.00 0.00 174.94 174.37 1hpv s LYS 14 N -2.11 2.82 -0.01 0.37 2.20 -0.09 -1.07 119.74 121.85 1hpv s LYS 14 Ca 0.11 -0.91 0.00 0.00 -0.36 0.00 0.00 55.97 54.82 1hpv s LYS 14 Cb -0.09 -2.60 0.02 0.00 -1.51 0.00 0.00 37.83 33.64 1hpv s LYS 14 CO 0.06 -0.28 0.01 0.96 -0.36 0.00 0.00 175.35 175.74 1hpv s ILE 15 N 1.27 0.04 -1.28 5.43 -5.25 0.16 -1.77 121.20 119.80 1hpv s ILE 15 Ca 0.03 0.09 -0.05 0.00 -0.99 0.00 0.00 60.65 59.73 1hpv s ILE 15 Cb -0.14 -0.12 0.03 0.00 2.95 0.00 0.00 42.46 45.18 1hpv s ILE 15 CO -0.11 0.07 0.32 0.61 -1.79 0.00 0.00 174.94 174.03 1hpv n GLY 16 N 3.72 -0.50 2.90 6.27 0.00 -1.26 -0.83 105.19 115.49 1hpv n GLY 16 Ca -0.21 0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1hpv n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hpv n GLY 17 N -1.11 0.96 3.69 -0.02 0.00 -1.26 -5.01 105.19 102.44 1hpv n GLY 17 Ca -0.09 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.64 1hpv n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1hpv s GLN 18 N -0.01 2.52 -0.16 1.61 -0.21 -0.01 -5.11 119.66 118.30 1hpv s GLN 18 Ca 0.00 -0.94 -0.06 0.00 0.02 0.00 0.00 55.36 54.39 1hpv s GLN 18 Cb 0.00 -2.48 -0.04 0.00 1.00 0.00 0.00 33.01 31.49 1hpv s GLN 18 CO 0.00 0.50 0.03 -0.51 -2.12 0.00 0.00 175.29 173.20 1hpv s LEU 19 N -2.61 3.67 0.18 2.90 1.43 -1.26 -0.66 118.68 122.33 1hpv s LEU 19 Ca 0.27 0.06 -0.01 0.00 -1.03 0.00 0.00 54.13 53.42 1hpv s LEU 19 Cb -0.11 -1.90 -0.04 0.00 0.03 0.00 0.00 46.19 44.17 1hpv s LEU 19 CO 0.19 0.22 0.11 -0.54 0.23 0.00 0.00 176.35 176.56 1hpv s LYS 20 N 0.07 1.14 -0.02 1.70 1.02 -0.23 -5.00 119.74 118.42 1hpv s LYS 20 Ca 0.04 -1.59 0.03 0.00 0.02 0.00 0.00 55.97 54.47 1hpv s LYS 20 Cb -0.13 0.23 -0.03 0.00 -0.52 0.00 0.00 37.83 37.38 1hpv s LYS 20 CO 0.01 -0.35 -0.07 -1.21 -0.92 0.00 0.00 175.35 172.82 1hpv s GLU 21 N -4.12 2.60 0.06 1.68 2.02 -1.26 -0.99 118.70 118.68 1hpv s GLU 21 Ca 0.35 -0.67 0.01 0.00 0.02 0.00 0.00 54.97 54.67 1hpv s GLU 21 Cb 0.07 -2.52 -0.03 0.00 0.10 0.00 0.00 34.13 31.75 1hpv s GLU 21 CO 0.09 0.62 -0.05 0.00 0.02 0.00 0.00 175.26 175.94 1hpv s ALA 22 N -0.94 0.57 -0.05 5.21 0.00 0.75 -4.58 121.76 122.72 1hpv s ALA 22 Ca 0.16 -1.03 -0.13 0.00 0.00 0.00 0.00 51.96 50.96 1hpv s ALA 22 Cb -0.11 0.17 -0.05 0.00 0.00 0.00 0.00 23.12 23.13 1hpv s ALA 22 CO 0.06 -0.22 0.33 -1.17 0.00 0.00 0.00 175.76 174.76 1hpv s LEU 23 N -2.37 4.43 -0.39 0.00 2.96 0.18 -0.35 118.68 123.14 1hpv s LEU 23 Ca -0.00 0.80 -0.25 0.00 -0.22 0.00 0.00 54.13 54.46 1hpv s LEU 23 Cb -0.00 -2.44 0.02 0.00 0.50 0.00 0.00 46.19 44.26 1hpv s LEU 23 CO -0.05 0.32 0.88 -0.76 -1.32 0.00 0.00 176.35 175.42 1hpv s LEU 24 N -0.88 4.04 -0.32 -0.68 1.43 -0.23 -0.57 118.68 121.47 1hpv s LEU 24 Ca 0.21 0.41 0.02 0.00 -1.03 0.00 0.00 54.13 53.74 1hpv s LEU 24 Cb -0.15 -3.18 0.08 0.00 0.03 0.00 0.00 46.19 42.98 1hpv s LEU 24 CO 0.10 -0.86 0.02 -0.62 0.23 0.00 0.00 176.35 175.22 1hpv s ASP 25 N 1.95 4.78 0.39 2.29 -1.08 -0.36 -4.83 116.67 119.81 1hpv s ASP 25 Ca 0.36 -1.78 0.27 0.00 -0.52 0.00 0.00 52.55 50.88 1hpv s ASP 25 Cb -0.12 -1.65 0.92 0.00 -1.46 0.00 0.00 42.92 40.61 1hpv s ASP 25 CO 0.20 -0.33 1.79 0.71 0.52 0.00 0.00 175.17 178.05 1hpv h THR 26 N 6.59 0.00 -0.01 1.71 1.35 -1.95 -2.88 112.91 117.73 1hpv h THR 26 Ca -0.12 -0.55 0.00 0.00 -0.55 0.00 0.00 66.41 65.18 1hpv h THR 26 Cb 1.04 1.49 0.00 0.00 -1.73 0.00 0.00 68.15 68.94 1hpv h THR 26 CO 0.53 0.00 -0.10 0.61 -0.25 0.00 0.00 175.52 176.32 1hpv n GLY 27 N 0.53 -0.65 3.56 5.82 0.00 -1.26 -4.80 105.19 108.40 1hpv n GLY 27 Ca 0.03 -0.33 -0.35 0.00 0.00 0.00 0.00 46.02 45.36 1hpv n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hpv s ALA 28 N -2.30 3.33 0.17 4.61 0.00 -1.08 -5.00 121.76 121.49 1hpv s ALA 28 Ca 0.33 -0.91 -0.03 0.00 0.00 0.00 0.00 51.96 51.34 1hpv s ALA 28 Cb 0.20 -2.02 0.05 0.00 0.00 0.00 0.00 23.12 21.35 1hpv s ALA 28 CO 0.43 -0.12 1.44 -0.44 0.00 0.00 0.00 175.76 177.07 1hpv h ASP 29 N 7.38 0.57 -1.96 0.00 3.32 -1.87 0.14 116.42 124.01 1hpv h ASP 29 Ca -0.37 -0.36 -0.61 0.00 0.02 0.00 0.00 57.03 55.72 1hpv h ASP 29 Cb 1.17 -0.17 -0.13 0.00 0.22 0.00 0.00 39.33 40.42 1hpv h ASP 29 CO 0.64 1.09 -0.66 -1.81 -1.72 0.00 0.00 179.24 176.79 1hpv s ASP 30 N -6.98 3.67 -0.18 6.45 1.01 -1.26 -2.38 116.67 117.00 1hpv s ASP 30 Ca -0.07 -1.25 -0.20 0.00 0.71 0.00 0.00 52.55 51.74 1hpv s ASP 30 Cb 0.10 -0.34 -0.03 0.00 1.01 0.00 0.00 42.92 43.66 1hpv s ASP 30 CO 0.85 -0.29 0.58 -0.89 0.21 0.00 0.00 175.17 175.62 1hpv s THR 31 N -2.69 5.07 -0.15 -1.27 2.01 -1.26 -3.50 115.64 113.86 1hpv s THR 31 Ca 0.33 1.09 0.00 0.00 0.31 0.00 0.00 61.69 63.42 1hpv s THR 31 Cb 0.05 -3.90 0.02 0.00 0.01 0.00 0.00 72.50 68.68 1hpv s THR 31 CO 0.17 0.17 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.45 1hpv s VAL 32 N 1.59 1.47 0.06 3.82 1.01 -0.69 -1.33 120.40 126.34 1hpv s VAL 32 Ca 0.27 -0.59 0.07 0.00 0.00 0.00 0.00 61.98 61.73 1hpv s VAL 32 Cb -0.16 -1.41 -0.04 0.00 0.00 0.00 0.00 36.38 34.78 1hpv s VAL 32 CO 0.11 0.42 -0.15 -0.76 0.00 0.00 0.00 175.10 174.72 1hpv s LEU 33 N 1.52 2.80 0.89 3.92 1.43 0.20 -0.91 118.68 128.54 1hpv s LEU 33 Ca 0.05 -0.40 -0.13 0.00 -1.03 0.00 0.00 54.13 52.61 1hpv s LEU 33 Cb -0.13 -1.64 0.04 0.00 0.03 0.00 0.00 46.19 44.49 1hpv s LEU 33 CO -0.10 0.23 0.59 -1.84 0.23 0.00 0.00 176.35 175.46 1hpv n GLU 34 N 1.22 -0.14 -1.73 1.70 0.28 -1.26 -1.01 120.64 119.71 1hpv n GLU 34 Ca -0.15 0.01 -0.42 0.00 -0.16 0.00 0.00 57.16 56.44 1hpv n GLU 34 Cb 0.52 -1.97 -0.03 0.00 1.43 0.00 0.00 31.44 31.39 1hpv n GLU 34 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 1hpv s GLU 35 N -3.62 4.14 0.15 3.44 -6.30 -1.15 -4.42 118.70 110.96 1hpv s GLU 35 Ca 0.61 2.57 -0.11 0.00 -2.50 0.00 0.00 54.97 55.54 1hpv s GLU 35 Cb -0.25 -3.73 0.00 0.00 0.00 0.00 0.00 34.13 30.15 1hpv s GLU 35 CO 0.63 -0.86 0.32 0.00 0.02 0.00 0.00 175.26 175.37 1hpv s MET 36 N 3.15 1.14 -0.17 4.30 0.23 -1.26 -5.01 119.30 121.67 1hpv s MET 36 Ca 0.82 -1.04 -0.29 0.00 -1.03 0.00 0.00 55.69 54.14 1hpv s MET 36 Cb -0.44 0.40 -0.04 0.00 -1.53 0.00 0.00 34.83 33.22 1hpv s MET 36 CO 0.37 -0.43 1.66 -1.12 -2.03 0.00 0.00 175.02 173.48 1hpv s SER 37 N -2.92 6.41 -0.06 -1.18 0.01 -1.26 -4.98 113.70 109.72 1hpv s SER 37 Ca 0.12 1.82 -0.02 0.00 1.31 0.00 0.00 55.95 59.18 1hpv s SER 37 Cb 0.03 -2.53 0.04 0.00 0.21 0.00 0.00 66.02 63.76 1hpv s SER 37 CO -0.03 -1.20 0.11 -0.22 0.41 0.00 0.00 173.24 172.30 1hpv s LEU 38 N 5.04 0.23 0.30 2.44 2.96 -1.26 -4.91 118.68 123.48 1hpv s LEU 38 Ca 0.74 0.20 -0.28 0.00 -0.22 0.00 0.00 54.13 54.56 1hpv s LEU 38 Cb -0.28 0.09 -0.09 0.00 0.50 0.00 0.00 46.19 46.41 1hpv s LEU 38 CO 0.30 -0.22 1.07 -2.16 -1.32 0.00 0.00 176.35 174.01 1hpv s PRO 39 N 1.98 4.57 0.00 0.98 0.04 -1.26 -4.95 135.00 136.35 1hpv s PRO 39 Ca 0.01 1.71 0.00 0.00 0.04 0.00 0.00 61.00 62.76 1hpv s PRO 39 Cb -0.12 -3.06 0.00 0.00 0.04 0.00 0.00 34.50 31.36 1hpv s PRO 39 CO -0.04 0.17 0.00 0.41 0.04 0.00 0.00 177.00 177.58 1hpv n GLY 40 N 1.05 1.75 3.87 0.56 0.00 -1.26 -5.06 105.19 106.10 1hpv n GLY 40 Ca 0.00 -2.17 -0.32 0.00 0.00 0.00 0.00 46.02 43.53 1hpv n GLY 40 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1hpv s ARG 41 N -1.47 3.80 0.14 1.61 1.04 -1.26 -5.10 118.95 117.72 1hpv s ARG 41 Ca 0.00 0.26 0.01 0.00 -1.04 0.00 0.00 55.73 54.96 1hpv s ARG 41 Cb 0.00 -2.72 -0.04 0.00 -2.04 0.00 0.00 34.95 30.14 1hpv s ARG 41 CO 0.00 0.37 -0.01 1.67 -0.04 0.00 0.00 175.30 177.28 1hpv s TRP 42 N -1.73 1.07 -0.03 5.89 1.48 -1.26 -4.71 118.94 119.64 1hpv s TRP 42 Ca 0.45 -1.01 0.04 0.00 -1.06 0.00 0.00 56.10 54.52 1hpv s TRP 42 Cb -0.12 -0.61 -0.03 0.00 -1.16 0.00 0.00 33.47 31.55 1hpv s TRP 42 CO 0.21 -0.23 -0.13 0.15 -4.06 0.00 0.00 176.95 172.89 1hpv s LYS 43 N -3.90 2.45 0.56 3.25 1.02 -0.41 -4.86 119.74 117.85 1hpv s LYS 43 Ca 0.20 -0.74 -0.18 0.00 0.02 0.00 0.00 55.97 55.27 1hpv s LYS 43 Cb 0.06 -2.38 -0.05 0.00 -0.52 0.00 0.00 37.83 34.95 1hpv s LYS 43 CO 0.01 0.61 1.08 -2.14 -0.92 0.00 0.00 175.35 173.98 1hpv s PRO 44 N -0.96 3.38 0.03 -1.68 0.02 -1.26 0.09 135.00 134.62 1hpv s PRO 44 Ca 0.13 1.36 -0.27 0.00 0.02 0.00 0.00 61.00 62.24 1hpv s PRO 44 Cb -0.11 -2.03 0.09 0.00 0.02 0.00 0.00 34.50 32.47 1hpv s PRO 44 CO 0.02 -0.78 0.76 0.21 -0.33 0.00 0.00 177.00 176.88 1hpv s LYS 45 N -3.68 1.00 -0.01 5.54 2.20 -0.73 -4.81 119.74 119.26 1hpv s LYS 45 Ca 0.67 -0.23 0.06 0.00 -0.36 0.00 0.00 55.97 56.11 1hpv s LYS 45 Cb -0.18 0.47 -0.02 0.00 -1.51 0.00 0.00 37.83 36.58 1hpv s LYS 45 CO 0.31 -0.41 -0.20 -1.64 -0.36 0.00 0.00 175.35 173.05 1hpv s MET 46 N -2.84 1.57 0.03 4.03 -1.94 -1.26 0.87 119.30 119.75 1hpv s MET 46 Ca 0.00 -0.74 0.06 0.00 -1.71 0.00 0.00 55.69 53.30 1hpv s MET 46 Cb -0.01 -1.54 -0.03 0.00 2.01 0.00 0.00 34.83 35.26 1hpv s MET 46 CO -0.06 0.42 -0.15 0.42 -0.01 0.00 0.00 175.02 175.63 1hpv s ILE 47 N -0.52 3.00 -0.22 2.53 -1.09 0.14 -4.94 121.20 120.11 1hpv s ILE 47 Ca 0.08 -1.06 -0.05 0.00 -2.23 0.00 0.00 60.65 57.38 1hpv s ILE 47 Cb -0.08 -2.27 -0.02 0.00 -1.58 0.00 0.00 42.46 38.51 1hpv s ILE 47 CO -0.00 0.37 -0.01 -0.83 -1.23 0.00 0.00 174.94 173.24 1hpv s GLY 48 N -1.39 1.68 0.00 6.18 0.00 -1.26 -0.83 107.32 111.70 1hpv s GLY 48 Ca 0.15 -1.08 0.00 0.00 0.00 0.00 0.00 44.72 43.79 1hpv s GLY 48 CO 0.06 0.35 0.00 0.61 0.00 0.00 0.00 173.10 174.12 1hpv n GLY 49 N 4.56 6.66 0.19 0.20 0.00 0.14 -5.01 105.19 111.93 1hpv n GLY 49 Ca -0.17 -1.95 -0.10 0.00 0.00 0.00 0.00 46.02 43.80 1hpv n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1hpv h ILE 50 N 0.00 1.36 0.00 -0.61 2.10 -2.04 -3.28 117.51 115.04 1hpv h ILE 50 Ca 0.00 -2.04 0.00 0.00 1.08 0.00 0.00 64.86 63.90 1hpv h ILE 50 Cb 0.00 2.02 0.00 0.00 -1.09 0.00 0.00 36.82 37.75 1hpv h ILE 50 CO 0.00 0.62 -0.88 0.61 -1.08 0.00 0.00 178.15 177.42 1hpv n GLY 51 N 0.49 -1.08 0.00 8.18 0.00 -1.26 -5.07 105.19 106.45 1hpv n GLY 51 Ca -0.04 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.46 1hpv n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hpv n GLY 52 N 1.49 -0.14 3.39 -0.02 0.00 -1.24 -5.12 105.19 103.55 1hpv n GLY 52 Ca 0.04 -1.12 -0.33 0.00 0.00 0.00 0.00 46.02 44.61 1hpv n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1hpv s PHE 53 N -3.61 2.72 0.19 1.61 0.40 -1.26 -0.68 117.98 117.34 1hpv s PHE 53 Ca 0.00 -0.51 0.09 0.00 -0.60 0.00 0.00 56.93 55.92 1hpv s PHE 53 Cb 0.00 -1.74 -0.04 0.00 0.51 0.00 0.00 43.02 41.75 1hpv s PHE 53 CO 0.00 -0.09 -0.12 0.96 0.70 0.00 0.00 175.22 176.68 1hpv s ILE 54 N -0.07 3.07 -0.20 0.64 -4.36 -0.01 -4.92 121.20 115.34 1hpv s ILE 54 Ca -0.03 -1.73 -0.08 0.00 -0.26 0.00 0.00 60.65 58.55 1hpv s ILE 54 Cb -0.14 -2.52 -0.04 0.00 1.25 0.00 0.00 42.46 41.01 1hpv s ILE 54 CO 0.04 -0.12 0.09 -1.59 0.24 0.00 0.00 174.94 173.60 1hpv s LYS 55 N -2.83 4.00 0.42 0.37 0.00 -1.26 0.25 119.74 120.68 1hpv s LYS 55 Ca 0.24 -0.32 0.03 0.00 0.00 0.00 0.00 55.97 55.92 1hpv s LYS 55 Cb -0.09 -3.31 -0.04 0.00 0.00 0.00 0.00 37.83 34.40 1hpv s LYS 55 CO 0.14 0.20 0.07 0.14 0.00 0.00 0.00 175.35 175.90 1hpv s VAL 56 N 0.59 1.03 -0.15 1.79 -7.23 0.25 -4.59 120.40 112.10 1hpv s VAL 56 Ca 0.05 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.19 1hpv s VAL 56 Cb -0.13 -2.47 -0.02 0.00 0.56 0.00 0.00 36.38 34.33 1hpv s VAL 56 CO 0.01 0.00 -0.06 -0.13 -0.31 0.00 0.00 175.10 174.61 1hpv s ARG 57 N -3.80 3.60 -0.20 4.82 0.52 -0.35 -1.78 118.95 121.75 1hpv s ARG 57 Ca 0.23 -0.56 -0.13 0.00 -0.52 0.00 0.00 55.73 54.75 1hpv s ARG 57 Cb 0.04 -2.84 -0.05 0.00 0.52 0.00 0.00 34.95 32.63 1hpv s ARG 57 CO 0.12 0.24 0.26 -1.14 0.02 0.00 0.00 175.30 174.80 1hpv s GLN 58 N 0.35 4.16 -0.14 3.54 0.74 0.11 -0.83 119.66 127.61 1hpv s GLN 58 Ca -0.06 -0.03 0.01 0.00 0.05 0.00 0.00 55.36 55.33 1hpv s GLN 58 Cb -0.15 -3.50 -0.01 0.00 1.10 0.00 0.00 33.01 30.46 1hpv s GLN 58 CO 0.04 0.10 -0.16 0.71 -0.55 0.00 0.00 175.29 175.43 1hpv s TYR 59 N 0.92 2.76 0.43 1.67 2.02 -0.15 -1.28 117.35 123.72 1hpv s TYR 59 Ca 0.13 -0.86 0.05 0.00 -0.37 0.00 0.00 57.07 56.03 1hpv s TYR 59 Cb -0.13 -1.84 0.01 0.00 -0.40 0.00 0.00 41.96 39.59 1hpv s TYR 59 CO 0.05 -0.35 0.61 -0.51 -1.57 0.00 0.00 175.55 173.78 1hpv s ASP 60 N 0.53 5.66 -1.34 2.29 1.01 -1.26 -1.16 116.67 122.41 1hpv s ASP 60 Ca -0.10 -0.19 -0.07 0.00 0.71 0.00 0.00 52.55 52.90 1hpv s ASP 60 Cb -0.16 -0.94 0.01 0.00 1.01 0.00 0.00 42.92 42.84 1hpv s ASP 60 CO 0.04 -0.77 0.13 1.67 0.21 0.00 0.00 175.17 176.45 1hpv n GLN 61 N -1.95 -0.80 -3.80 8.23 -0.06 -1.18 -4.89 117.38 112.93 1hpv n GLN 61 Ca 0.05 0.06 -0.35 0.00 -2.00 0.00 0.00 57.00 54.77 1hpv n GLN 61 Cb 0.59 -2.99 -0.08 0.00 -4.06 0.00 0.00 30.24 23.69 1hpv n GLN 61 CO 0.00 0.00 0.00 0.42 -0.20 0.00 0.00 177.06 177.28 1hpv s ILE 62 N -4.13 5.28 0.07 1.69 -1.09 -0.17 -4.79 121.20 118.06 1hpv s ILE 62 Ca 0.10 0.14 -0.30 0.00 -2.23 0.00 0.00 60.65 58.36 1hpv s ILE 62 Cb -0.05 -3.40 -0.05 0.00 -1.58 0.00 0.00 42.46 37.38 1hpv s ILE 62 CO 0.90 0.46 0.96 -0.22 -1.23 0.00 0.00 174.94 175.81 1hpv s LEU 63 N 0.26 4.45 -0.04 2.97 2.96 -1.26 -1.95 118.68 126.07 1hpv s LEU 63 Ca 0.07 1.73 -0.04 0.00 -0.22 0.00 0.00 54.13 55.68 1hpv s LEU 63 Cb -0.11 -3.57 0.01 0.00 0.50 0.00 0.00 46.19 43.02 1hpv s LEU 63 CO -0.01 -0.14 0.10 -0.51 -1.32 0.00 0.00 176.35 174.47 1hpv s ILE 64 N 0.38 0.00 -0.28 6.68 2.07 0.24 -4.46 121.20 125.83 1hpv s ILE 64 Ca 0.49 -0.01 -0.02 0.00 -1.41 0.00 0.00 60.65 59.70 1hpv s ILE 64 Cb -0.22 -0.15 0.04 0.00 0.13 0.00 0.00 42.46 42.25 1hpv s ILE 64 CO 0.29 -0.01 -0.03 -1.61 -1.91 0.00 0.00 174.94 171.67 1hpv s GLU 65 N 0.03 2.62 -0.32 3.50 2.02 -0.73 -0.85 118.70 124.98 1hpv s GLU 65 Ca -0.00 -1.13 -0.09 0.00 0.02 0.00 0.00 54.97 53.77 1hpv s GLU 65 Cb -0.01 -3.09 0.00 0.00 0.10 0.00 0.00 34.13 31.14 1hpv s GLU 65 CO 0.00 -0.52 0.14 0.42 0.02 0.00 0.00 175.26 175.32 1hpv s ILE 66 N 1.29 4.41 0.00 -1.63 1.01 0.28 -0.91 121.20 125.64 1hpv s ILE 66 Ca -0.03 -0.57 0.00 0.00 0.00 0.00 0.00 60.65 60.05 1hpv s ILE 66 Cb -0.18 -3.29 0.00 0.00 0.01 0.00 0.00 42.46 39.00 1hpv s ILE 66 CO -0.03 0.02 0.00 0.00 0.00 0.00 0.00 174.94 174.94 1hpv n GLY 68 N 0.00 1.88 3.61 0.00 0.00 -1.26 -4.90 105.19 104.52 1hpv n GLY 68 Ca 0.00 -0.66 -0.42 0.00 0.00 0.00 0.00 46.02 44.95 1hpv n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1hpv s HIS 69 N -1.25 3.21 0.01 1.61 4.02 -0.31 -5.04 115.29 117.53 1hpv s HIS 69 Ca 0.36 0.78 -0.18 0.00 1.02 0.00 0.00 55.06 57.04 1hpv s HIS 69 Cb 0.20 -3.17 -0.06 0.00 -1.02 0.00 0.00 32.58 28.54 1hpv s HIS 69 CO 0.28 -0.54 0.52 0.15 1.02 0.00 0.00 174.74 176.16 1hpv s LYS 70 N 2.89 4.18 -0.02 1.40 1.02 -1.26 -0.56 119.74 127.39 1hpv s LYS 70 Ca 0.31 0.61 -0.09 0.00 0.02 0.00 0.00 55.97 56.82 1hpv s LYS 70 Cb -0.14 -3.29 0.01 0.00 -0.52 0.00 0.00 37.83 33.89 1hpv s LYS 70 CO 0.12 0.51 0.19 0.00 -0.92 0.00 0.00 175.35 175.25 1hpv s ALA 71 N -0.61 -0.47 -0.06 5.17 0.00 -0.03 -4.93 121.76 120.83 1hpv s ALA 71 Ca 0.28 0.10 0.04 0.00 0.00 0.00 0.00 51.96 52.38 1hpv s ALA 71 Cb -0.18 0.02 -0.00 0.00 0.00 0.00 0.00 23.12 22.96 1hpv s ALA 71 CO 0.16 -0.20 -0.19 0.42 0.00 0.00 0.00 175.76 175.94 1hpv s ILE 72 N -1.11 1.63 0.00 0.00 1.01 -1.26 -0.59 121.20 120.89 1hpv s ILE 72 Ca -0.12 -0.81 0.00 0.00 0.00 0.00 0.00 60.65 59.73 1hpv s ILE 72 Cb -0.06 -1.41 0.00 0.00 0.01 0.00 0.00 42.46 41.00 1hpv s ILE 72 CO 0.02 0.46 0.00 0.61 0.00 0.00 0.00 174.94 176.03 1hpv n GLY 73 N 3.32 0.94 3.75 6.18 0.00 -0.82 -4.88 105.19 113.68 1hpv n GLY 73 Ca -0.19 -0.76 -0.39 0.00 0.00 0.00 0.00 46.02 44.67 1hpv n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1hpv s THR 74 N -2.23 4.87 -0.05 2.61 2.01 -1.26 -1.00 115.64 120.60 1hpv s THR 74 Ca 0.00 1.40 0.03 0.00 0.31 0.00 0.00 61.69 63.44 1hpv s THR 74 Cb 0.00 -4.01 0.00 0.00 0.01 0.00 0.00 72.50 68.50 1hpv s THR 74 CO 0.00 0.37 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.47 1hpv s VAL 75 N 0.03 1.22 -0.20 3.82 1.01 -0.31 -4.46 120.40 121.51 1hpv s VAL 75 Ca 0.35 -0.57 -0.07 0.00 0.00 0.00 0.00 61.98 61.68 1hpv s VAL 75 Cb -0.19 -1.08 -0.04 0.00 0.00 0.00 0.00 36.38 35.07 1hpv s VAL 75 CO 0.19 0.37 0.06 -0.76 0.00 0.00 0.00 175.10 174.96 1hpv s LEU 76 N 0.31 3.69 -0.17 3.92 1.43 -0.44 -0.97 118.68 126.43 1hpv s LEU 76 Ca -0.08 -0.02 -0.03 0.00 -1.03 0.00 0.00 54.13 52.98 1hpv s LEU 76 Cb -0.13 -1.95 -0.01 0.00 0.03 0.00 0.00 46.19 44.13 1hpv s LEU 76 CO 0.03 0.10 -0.07 -0.69 0.23 0.00 0.00 176.35 175.95 1hpv s VAL 77 N 0.78 3.37 0.00 -1.59 1.01 -0.01 -0.62 120.40 123.34 1hpv s VAL 77 Ca 0.03 -0.52 0.00 0.00 0.00 0.00 0.00 61.98 61.49 1hpv s VAL 77 Cb -0.13 -2.48 0.00 0.00 0.00 0.00 0.00 36.38 33.76 1hpv s VAL 77 CO 0.02 0.47 0.00 0.61 0.00 0.00 0.00 175.10 176.21 1hpv n GLY 78 N 4.08 0.79 2.14 4.51 0.00 -0.18 -1.22 105.19 115.31 1hpv n GLY 78 Ca -0.18 -0.83 -0.03 0.00 0.00 0.00 0.00 46.02 44.99 1hpv n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1hpv n PRO 79 N 0.00 0.57 -2.94 1.61 -0.04 -1.26 -2.92 135.00 130.02 1hpv n PRO 79 Ca 0.00 -0.22 -0.32 0.00 -0.04 0.00 0.00 63.50 62.92 1hpv n PRO 79 Cb 0.00 -1.54 -0.06 0.00 -0.04 0.00 0.00 33.50 31.86 1hpv n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1hpv s THR 80 N 1.93 4.56 -0.35 0.52 -1.32 -1.26 -4.98 115.64 114.73 1hpv s THR 80 Ca 0.15 1.15 0.21 0.00 -1.21 0.00 0.00 61.69 61.99 1hpv s THR 80 Cb 0.07 -3.62 0.24 0.00 -1.51 0.00 0.00 72.50 67.68 1hpv s THR 80 CO 0.00 -0.30 1.51 1.55 -2.21 0.00 0.00 174.62 175.18 1hpv h PRO 81 N 1.95 0.00 -4.00 7.08 0.13 -1.97 -3.42 132.00 131.77 1hpv h PRO 81 Ca -0.48 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.42 1hpv h PRO 81 Cb 1.18 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 32.06 1hpv h PRO 81 CO 0.63 0.13 -0.72 0.08 -0.23 0.00 0.00 178.00 177.89 1hpv s VAL 82 N -3.15 0.16 0.07 1.56 1.01 -1.26 -5.07 120.40 113.72 1hpv s VAL 82 Ca 0.06 -0.44 -0.30 0.00 0.00 0.00 0.00 61.98 61.29 1hpv s VAL 82 Cb 0.06 -0.21 -0.06 0.00 0.00 0.00 0.00 36.38 36.17 1hpv s VAL 82 CO 0.70 -0.18 1.15 0.20 0.00 0.00 0.00 175.10 176.97 1hpv s ASN 83 N -0.65 7.16 -0.05 3.32 0.01 -1.26 -4.69 114.94 118.78 1hpv s ASN 83 Ca -0.06 1.97 0.04 0.00 -0.71 0.00 0.00 52.86 54.10 1hpv s ASN 83 Cb -0.05 -2.58 0.00 0.00 0.41 0.00 0.00 41.25 39.03 1hpv s ASN 83 CO -0.00 -0.39 -0.15 0.27 -1.51 0.00 0.00 177.10 175.32 1hpv s ILE 84 N 0.81 1.28 -0.28 0.60 -4.36 -0.09 -0.65 121.20 118.51 1hpv s ILE 84 Ca 0.56 -0.61 -0.12 0.00 -0.26 0.00 0.00 60.65 60.21 1hpv s ILE 84 Cb -0.28 -1.12 -0.04 0.00 1.25 0.00 0.00 42.46 42.27 1hpv s ILE 84 CO 0.30 0.38 0.25 -0.63 0.24 0.00 0.00 174.94 175.48 1hpv s ILE 85 N 0.22 5.26 0.37 8.37 -1.09 0.27 -1.70 121.20 132.90 1hpv s ILE 85 Ca -0.07 0.27 0.06 0.00 -2.23 0.00 0.00 60.65 58.68 1hpv s ILE 85 Cb -0.12 -3.60 0.06 0.00 -1.58 0.00 0.00 42.46 37.22 1hpv s ILE 85 CO 0.02 0.20 0.49 0.61 -1.23 0.00 0.00 174.94 175.04 1hpv n GLY 86 N 4.95 2.00 0.34 6.18 0.00 -1.23 -1.22 105.19 116.21 1hpv n GLY 86 Ca -0.12 -2.20 0.21 0.00 0.00 0.00 0.00 46.02 43.91 1hpv n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1hpv h ARG 87 N 0.00 0.00 0.00 1.61 3.08 -0.69 -1.58 114.38 116.80 1hpv h ARG 87 Ca -0.18 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 59.83 1hpv h ARG 87 Cb 0.79 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.84 1hpv h ARG 87 CO 0.25 0.00 -0.23 -2.95 -1.07 0.00 0.00 179.97 175.97 1hpv h ASN 88 N 0.00 0.00 0.00 7.04 -1.07 -1.74 -2.98 115.58 116.83 1hpv h ASN 88 Ca 0.00 0.00 -0.22 0.00 0.07 0.00 0.00 56.30 56.15 1hpv h ASN 88 Cb 0.16 0.00 -0.04 0.00 -2.07 0.00 0.00 38.32 36.37 1hpv h ASN 88 CO -0.00 0.23 -1.89 0.18 0.07 0.00 0.00 177.43 176.02 1hpv n LEU 89 N -3.89 0.00 -0.17 6.14 4.32 -0.67 -4.49 117.00 118.24 1hpv n LEU 89 Ca -0.02 0.00 0.02 0.00 -0.02 0.00 0.00 56.01 55.99 1hpv n LEU 89 Cb 0.32 0.30 0.29 0.00 -1.62 0.00 0.00 43.42 42.71 1hpv n LEU 89 CO 0.34 0.30 1.22 -0.07 -1.22 0.00 0.00 177.39 177.96 1hpv h LEU 90 N 0.00 0.76 -1.47 2.23 3.38 -1.35 -1.64 115.31 117.21 1hpv h LEU 90 Ca -0.33 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.58 1hpv h LEU 90 Cb 1.71 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 42.27 1hpv h LEU 90 CO 0.02 0.55 -0.19 0.71 0.09 0.00 0.00 178.44 179.61 1hpv h THR 91 N 0.89 0.60 0.11 0.22 1.35 -1.75 -1.04 112.91 113.29 1hpv h THR 91 Ca 0.25 -0.89 -0.27 0.00 -0.55 0.00 0.00 66.41 64.95 1hpv h THR 91 Cb -0.07 1.59 0.01 0.00 -1.73 0.00 0.00 68.15 67.94 1hpv h THR 91 CO -0.06 0.19 -1.19 1.56 -0.25 0.00 0.00 175.52 175.77 1hpv h GLN 92 N 0.00 0.38 -0.14 4.72 4.20 -1.53 -3.14 115.11 119.61 1hpv h GLN 92 Ca -0.00 -0.56 0.00 0.00 0.06 0.00 0.00 58.65 58.15 1hpv h GLN 92 Cb 0.57 0.19 0.00 0.00 0.30 0.00 0.00 27.48 28.54 1hpv h GLN 92 CO 0.03 1.23 0.00 0.44 -0.67 0.00 0.00 178.83 179.86 1hpv n ILE 93 N -3.64 0.18 -2.66 2.54 -5.35 -1.13 -4.92 119.36 104.38 1hpv n ILE 93 Ca -0.10 -0.23 -0.12 0.00 -0.27 0.00 0.00 62.75 62.04 1hpv n ILE 93 Cb 0.98 0.11 0.02 0.00 -1.74 0.00 0.00 39.64 39.01 1hpv n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1hpv n GLY 94 N 0.93 0.03 3.74 3.28 0.00 -1.15 -5.01 105.19 107.01 1hpv n GLY 94 Ca 0.12 -0.29 -0.41 0.00 0.00 0.00 0.00 46.02 45.44 1hpv n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hpv s THR 96 N -0.29 1.23 0.02 0.00 -4.23 -1.26 -4.71 115.64 106.41 1hpv s THR 96 Ca 0.44 -2.06 0.02 0.00 -1.18 0.00 0.00 61.69 58.91 1hpv s THR 96 Cb -0.23 -2.39 -0.04 0.00 1.34 0.00 0.00 72.50 71.18 1hpv s THR 96 CO 0.29 -0.31 0.00 -0.76 -0.54 0.00 0.00 174.62 173.30 1hpv s LEU 97 N -3.35 3.50 -0.11 4.79 1.43 -1.26 -5.10 118.68 118.57 1hpv s LEU 97 Ca 0.29 -0.06 -0.10 0.00 -1.03 0.00 0.00 54.13 53.23 1hpv s LEU 97 Cb 0.05 -2.07 0.03 0.00 0.03 0.00 0.00 46.19 44.23 1hpv s LEU 97 CO 0.10 0.25 0.30 0.20 0.23 0.00 0.00 176.35 177.43 1hpv s ASN 98 N -1.77 -0.31 0.00 2.29 0.01 -1.26 -5.29 114.94 108.61 1hpv s ASN 98 Ca 0.21 0.60 0.00 0.00 -0.71 0.00 0.00 52.86 52.96 1hpv s ASN 98 Cb -0.12 0.61 0.00 0.00 0.41 0.00 0.00 41.25 42.15 1hpv s ASN 98 CO 0.13 -0.11 0.00 2.22 -1.51 0.00 0.00 177.10 177.83