#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hpx s GLN 2 N 0.00 2.61 -0.19 -0.52 0.74 -1.26 -5.11 119.66 115.93 1hpx s GLN 2 Ca 0.00 -0.71 -0.02 0.00 0.05 0.00 0.00 55.36 54.67 1hpx s GLN 2 Cb 0.00 -2.11 -0.01 0.00 1.10 0.00 0.00 33.01 31.99 1hpx s GLN 2 CO 0.00 0.01 -0.08 0.42 -0.55 0.00 0.00 175.29 175.09 1hpx s ILE 3 N 0.77 3.20 0.68 -2.34 1.01 -1.26 -5.12 121.20 118.15 1hpx s ILE 3 Ca -0.10 -0.57 -0.07 0.00 0.00 0.00 0.00 60.65 59.91 1hpx s ILE 3 Cb -0.16 -2.42 0.04 0.00 0.01 0.00 0.00 42.46 39.93 1hpx s ILE 3 CO 0.01 0.46 1.00 0.42 0.00 0.00 0.00 174.94 176.83 1hpx s THR 4 N 1.12 2.79 -0.19 2.92 -4.23 -1.26 -5.02 115.64 111.77 1hpx s THR 4 Ca 0.01 -0.09 0.16 0.00 -1.18 0.00 0.00 61.69 60.59 1hpx s THR 4 Cb -0.14 -3.18 0.45 0.00 1.34 0.00 0.00 72.50 70.97 1hpx s THR 4 CO -0.02 -0.20 1.35 0.18 -0.54 0.00 0.00 174.62 175.39 1hpx n LEU 5 N -2.86 3.45 -0.32 4.79 4.77 -1.26 -4.53 117.00 121.03 1hpx n LEU 5 Ca 0.07 -3.22 -0.02 0.00 -0.03 0.00 0.00 56.01 52.80 1hpx n LEU 5 Cb 0.59 -0.53 0.13 0.00 -2.33 0.00 0.00 43.42 41.28 1hpx n LEU 5 CO 0.53 0.83 1.23 -0.50 -1.33 0.00 0.00 177.39 178.14 1hpx h TRP 6 N 1.11 1.19 -1.47 -1.77 4.06 -2.06 -3.43 115.95 113.58 1hpx h TRP 6 Ca 0.04 -0.00 -0.51 0.00 2.06 0.00 0.00 58.89 60.48 1hpx h TRP 6 Cb 1.34 -0.39 -0.04 0.00 -1.00 0.00 0.00 29.16 29.07 1hpx h TRP 6 CO 0.47 0.79 -0.40 -0.65 -3.56 0.00 0.00 178.44 175.09 1hpx s GLN 7 N -5.92 2.44 0.22 0.49 1.11 -1.26 -5.10 119.66 111.64 1hpx s GLN 7 Ca -0.12 -1.64 -0.30 0.00 0.01 0.00 0.00 55.36 53.31 1hpx s GLN 7 Cb 0.17 -2.27 -0.09 0.00 -1.01 0.00 0.00 33.01 29.81 1hpx s GLN 7 CO 0.82 -0.21 1.33 1.03 0.01 0.00 0.00 175.29 178.27 1hpx s ARG 8 N -4.09 4.37 -1.39 2.91 0.52 -1.26 -4.90 118.95 115.10 1hpx s ARG 8 Ca 0.46 2.12 -0.15 0.00 -0.52 0.00 0.00 55.73 57.63 1hpx s ARG 8 Cb -0.01 -3.16 0.06 0.00 0.52 0.00 0.00 34.95 32.35 1hpx s ARG 8 CO 0.26 -0.27 2.03 -0.35 0.02 0.00 0.00 175.30 176.99 1hpx n PRO 9 N 2.37 3.01 -3.37 3.54 -0.04 -1.26 -4.94 135.00 134.30 1hpx n PRO 9 Ca 0.06 -2.89 -0.38 0.00 -0.04 0.00 0.00 63.50 60.24 1hpx n PRO 9 Cb 0.42 -3.36 -0.06 0.00 -0.04 0.00 0.00 33.50 30.46 1hpx n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1hpx s LEU 10 N 2.91 4.31 0.39 1.53 1.43 -1.26 -0.58 118.68 127.42 1hpx s LEU 10 Ca 0.49 0.82 0.03 0.00 -1.03 0.00 0.00 54.13 54.45 1hpx s LEU 10 Cb 0.10 -2.65 -0.04 0.00 0.03 0.00 0.00 46.19 43.63 1hpx s LEU 10 CO -0.02 0.07 0.09 0.68 0.23 0.00 0.00 176.35 177.41 1hpx s VAL 11 N 0.26 0.84 -0.11 -1.59 -7.23 -0.01 -4.89 120.40 107.67 1hpx s VAL 11 Ca 0.25 -2.00 -0.10 0.00 -1.81 0.00 0.00 61.98 58.32 1hpx s VAL 11 Cb -0.15 -2.47 -0.05 0.00 0.56 0.00 0.00 36.38 34.28 1hpx s VAL 11 CO 0.10 0.00 0.21 -0.89 -0.31 0.00 0.00 175.10 174.21 1hpx s THR 12 N -3.20 5.38 0.28 5.32 2.01 -1.26 -1.62 115.64 122.55 1hpx s THR 12 Ca 0.26 0.36 0.12 0.00 0.31 0.00 0.00 61.69 62.74 1hpx s THR 12 Cb 0.04 -3.49 -0.05 0.00 0.01 0.00 0.00 72.50 69.01 1hpx s THR 12 CO 0.14 0.57 -0.17 0.27 -0.69 0.00 0.00 174.62 174.73 1hpx s ILE 13 N -0.71 2.56 -0.10 1.82 -4.36 0.38 -2.97 121.20 117.81 1hpx s ILE 13 Ca 0.16 -2.34 0.03 0.00 -0.26 0.00 0.00 60.65 58.23 1hpx s ILE 13 Cb -0.13 -2.38 0.01 0.00 1.25 0.00 0.00 42.46 41.21 1hpx s ILE 13 CO 0.05 -0.38 -0.18 -0.54 0.24 0.00 0.00 174.94 174.13 1hpx s LYS 14 N -3.53 2.43 -0.04 0.37 1.02 -0.13 -1.07 119.74 118.79 1hpx s LYS 14 Ca 0.30 -0.65 -0.00 0.00 0.02 0.00 0.00 55.97 55.64 1hpx s LYS 14 Cb -0.05 -1.96 0.03 0.00 -0.52 0.00 0.00 37.83 35.34 1hpx s LYS 14 CO 0.16 0.04 0.02 -1.50 -0.92 0.00 0.00 175.35 173.14 1hpx s ILE 15 N 0.69 0.11 -1.53 2.17 2.07 -0.32 -1.39 121.20 123.00 1hpx s ILE 15 Ca -0.12 0.18 -0.13 0.00 -1.41 0.00 0.00 60.65 59.16 1hpx s ILE 15 Cb -0.16 -0.25 0.09 0.00 0.13 0.00 0.00 42.46 42.26 1hpx s ILE 15 CO 0.03 0.16 0.95 0.61 -1.91 0.00 0.00 174.94 174.78 1hpx n GLY 16 N 4.50 -0.48 2.53 1.50 0.00 -1.26 -2.33 105.19 109.64 1hpx n GLY 16 Ca -0.20 0.19 -0.19 0.00 0.00 0.00 0.00 46.02 45.82 1hpx n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hpx n GLY 17 N -1.68 1.43 3.29 -0.02 0.00 -1.26 -4.99 105.19 101.97 1hpx n GLY 17 Ca 0.02 -0.08 -0.27 0.00 0.00 0.00 0.00 46.02 45.69 1hpx n GLY 17 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1hpx s GLN 18 N -3.90 1.53 0.04 1.61 -2.07 -0.98 -5.13 119.66 110.75 1hpx s GLN 18 Ca 0.00 -1.04 -0.09 0.00 -1.82 0.00 0.00 55.36 52.41 1hpx s GLN 18 Cb 0.00 -1.69 -0.05 0.00 -1.09 0.00 0.00 33.01 30.17 1hpx s GLN 18 CO 0.00 0.43 0.34 -0.51 -1.32 0.00 0.00 175.29 174.23 1hpx s LEU 19 N -1.29 4.37 0.08 2.60 1.02 -1.26 -1.17 118.68 123.04 1hpx s LEU 19 Ca 0.09 0.71 -0.02 0.00 0.02 0.00 0.00 54.13 54.93 1hpx s LEU 19 Cb -0.09 -2.80 -0.04 0.00 0.02 0.00 0.00 46.19 43.28 1hpx s LEU 19 CO 0.02 0.22 0.03 -0.54 0.02 0.00 0.00 176.35 176.10 1hpx s LYS 20 N -1.76 0.76 0.11 1.70 1.02 -0.23 -4.94 119.74 116.39 1hpx s LYS 20 Ca 0.30 -1.28 -0.02 0.00 0.02 0.00 0.00 55.97 54.99 1hpx s LYS 20 Cb -0.14 0.24 -0.05 0.00 -0.52 0.00 0.00 37.83 37.36 1hpx s LYS 20 CO 0.17 -0.18 0.30 -1.83 -0.92 0.00 0.00 175.35 172.88 1hpx s GLU 21 N -3.96 3.52 -0.04 1.68 -1.05 -1.26 -0.47 118.70 117.12 1hpx s GLU 21 Ca 0.13 -0.28 -0.19 0.00 -0.15 0.00 0.00 54.97 54.47 1hpx s GLU 21 Cb 0.07 -2.94 0.04 0.00 -0.44 0.00 0.00 34.13 30.86 1hpx s GLU 21 CO -0.06 0.53 0.43 0.00 0.95 0.00 0.00 175.26 177.11 1hpx s ALA 22 N -1.60 -1.09 -0.04 -0.84 0.00 -0.64 -4.37 121.76 113.17 1hpx s ALA 22 Ca 0.38 0.68 -0.15 0.00 0.00 0.00 0.00 51.96 52.87 1hpx s ALA 22 Cb -0.12 -0.01 -0.05 0.00 0.00 0.00 0.00 23.12 22.93 1hpx s ALA 22 CO 0.27 -0.29 0.39 -1.17 0.00 0.00 0.00 175.76 174.96 1hpx s LEU 23 N -1.16 4.41 -0.28 0.00 2.96 0.48 -0.83 118.68 124.26 1hpx s LEU 23 Ca -0.12 0.85 -0.20 0.00 -0.22 0.00 0.00 54.13 54.44 1hpx s LEU 23 Cb -0.04 -2.54 -0.01 0.00 0.50 0.00 0.00 46.19 44.10 1hpx s LEU 23 CO 0.06 0.25 0.64 -0.76 -1.32 0.00 0.00 176.35 175.22 1hpx s LEU 24 N -0.63 4.10 -0.29 -0.68 1.43 0.25 -0.67 118.68 122.19 1hpx s LEU 24 Ca 0.23 0.58 0.01 0.00 -1.03 0.00 0.00 54.13 53.92 1hpx s LEU 24 Cb -0.16 -2.85 0.09 0.00 0.03 0.00 0.00 46.19 43.30 1hpx s LEU 24 CO 0.11 -0.43 0.03 -0.62 0.23 0.00 0.00 176.35 175.67 1hpx s ASP 25 N 1.55 4.16 0.00 2.29 -1.08 -0.12 -4.77 116.67 118.70 1hpx s ASP 25 Ca 0.26 -1.62 0.21 0.00 -0.52 0.00 0.00 52.55 50.88 1hpx s ASP 25 Cb -0.15 -1.19 1.10 0.00 -1.46 0.00 0.00 42.92 41.23 1hpx s ASP 25 CO 0.10 -0.34 1.67 0.35 0.52 0.00 0.00 175.17 177.47 1hpx n THR 26 N 4.62 0.29 0.85 1.71 -2.24 -1.26 -2.47 114.28 115.78 1hpx n THR 26 Ca -0.04 0.07 0.11 0.00 -2.27 0.00 0.00 64.05 61.93 1hpx n THR 26 Cb 0.43 -0.73 0.11 0.00 -2.10 0.00 0.00 70.33 68.04 1hpx n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1hpx n GLY 27 N 0.47 -1.20 3.74 3.38 0.00 -1.26 -4.85 105.19 105.48 1hpx n GLY 27 Ca 0.11 -0.40 -0.35 0.00 0.00 0.00 0.00 46.02 45.37 1hpx n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hpx s ALA 28 N -3.07 3.70 -0.08 4.61 0.00 -1.03 -4.95 121.76 120.93 1hpx s ALA 28 Ca 0.08 -0.69 0.16 0.00 0.00 0.00 0.00 51.96 51.52 1hpx s ALA 28 Cb 0.16 -2.13 0.24 0.00 0.00 0.00 0.00 23.12 21.38 1hpx s ALA 28 CO 0.76 0.22 1.52 -0.44 0.00 0.00 0.00 175.76 177.82 1hpx h ASP 29 N 6.46 0.00 -1.88 0.00 3.32 -1.88 0.96 116.42 123.39 1hpx h ASP 29 Ca -0.43 0.00 -0.61 0.00 0.02 0.00 0.00 57.03 56.02 1hpx h ASP 29 Cb 1.16 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 40.59 1hpx h ASP 29 CO 0.74 0.45 -0.64 -1.81 -1.72 0.00 0.00 179.24 176.26 1hpx s ASP 30 N -6.43 3.91 -0.23 6.45 1.01 -1.26 -3.51 116.67 116.61 1hpx s ASP 30 Ca 0.03 -1.15 -0.09 0.00 0.71 0.00 0.00 52.55 52.05 1hpx s ASP 30 Cb 0.08 -0.41 -0.04 0.00 1.01 0.00 0.00 42.92 43.56 1hpx s ASP 30 CO 0.73 -0.26 0.11 -0.89 0.21 0.00 0.00 175.17 175.07 1hpx s THR 31 N -2.59 4.90 -0.15 -1.27 2.01 -1.26 -3.20 115.64 114.06 1hpx s THR 31 Ca 0.34 0.02 0.02 0.00 0.31 0.00 0.00 61.69 62.37 1hpx s THR 31 Cb 0.03 -3.27 0.01 0.00 0.01 0.00 0.00 72.50 69.28 1hpx s THR 31 CO 0.18 0.37 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.57 1hpx s VAL 32 N 1.08 2.07 0.14 3.82 1.01 -0.66 -1.03 120.40 126.83 1hpx s VAL 32 Ca 0.06 -0.96 0.10 0.00 0.00 0.00 0.00 61.98 61.18 1hpx s VAL 32 Cb -0.14 -1.84 -0.04 0.00 0.00 0.00 0.00 36.38 34.36 1hpx s VAL 32 CO 0.04 0.55 -0.22 -0.76 0.00 0.00 0.00 175.10 174.70 1hpx s LEU 33 N 0.99 2.50 0.70 3.92 1.43 0.87 -0.56 118.68 128.53 1hpx s LEU 33 Ca -0.03 -0.70 -0.16 0.00 -1.03 0.00 0.00 54.13 52.21 1hpx s LEU 33 Cb -0.15 -1.34 -0.00 0.00 0.03 0.00 0.00 46.19 44.73 1hpx s LEU 33 CO -0.06 0.16 0.99 -1.84 0.23 0.00 0.00 176.35 175.84 1hpx n GLU 34 N 0.70 0.62 -1.65 1.70 0.28 -1.26 -1.69 120.64 119.34 1hpx n GLU 34 Ca -0.16 0.27 -0.53 0.00 -0.16 0.00 0.00 57.16 56.58 1hpx n GLU 34 Cb 0.54 -2.24 -0.06 0.00 1.43 0.00 0.00 31.44 31.11 1hpx n GLU 34 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 1hpx n GLU 35 N -1.73 1.38 -3.62 3.44 4.07 -0.85 -4.56 120.64 118.77 1hpx n GLU 35 Ca 0.13 0.50 -0.11 0.00 -0.06 0.00 0.00 57.16 57.63 1hpx n GLU 35 Cb 0.49 -2.19 -0.05 0.00 -0.06 0.00 0.00 31.44 29.63 1hpx n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1hpx s MET 36 N 1.87 1.06 -0.50 5.31 0.23 -1.26 -5.03 119.30 120.98 1hpx s MET 36 Ca 0.89 -0.65 -0.09 0.00 -1.03 0.00 0.00 55.69 54.81 1hpx s MET 36 Cb -0.93 0.47 0.13 0.00 -1.53 0.00 0.00 34.83 32.96 1hpx s MET 36 CO 0.52 -0.41 0.38 -1.54 -2.03 0.00 0.00 175.02 171.94 1hpx s SER 37 N -2.70 5.75 0.27 -1.18 1.04 -1.26 -5.04 113.70 110.58 1hpx s SER 37 Ca 0.02 -2.01 -0.17 0.00 0.48 0.00 0.00 55.95 54.27 1hpx s SER 37 Cb 0.01 -2.02 -0.09 0.00 0.10 0.00 0.00 66.02 64.03 1hpx s SER 37 CO -0.11 -0.68 0.72 -0.76 0.98 0.00 0.00 173.24 173.40 1hpx s LEU 38 N 1.23 4.19 0.62 2.42 1.43 -1.26 -5.07 118.68 122.24 1hpx s LEU 38 Ca 0.07 1.32 -0.12 0.00 -1.03 0.00 0.00 54.13 54.38 1hpx s LEU 38 Cb -0.25 -3.84 -0.03 0.00 0.03 0.00 0.00 46.19 42.10 1hpx s LEU 38 CO -0.01 -0.09 1.03 -2.16 0.23 0.00 0.00 176.35 175.35 1hpx s PRO 39 N -2.52 3.49 0.00 1.29 0.04 -1.26 -4.89 135.00 131.15 1hpx s PRO 39 Ca 0.49 0.82 0.00 0.00 0.04 0.00 0.00 61.00 62.35 1hpx s PRO 39 Cb -0.13 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.34 1hpx s PRO 39 CO 0.19 -0.65 0.00 0.41 0.04 0.00 0.00 177.00 176.99 1hpx n GLY 40 N -2.43 1.16 3.68 0.56 0.00 -1.26 -5.07 105.19 101.82 1hpx n GLY 40 Ca 0.06 -2.24 -0.31 0.00 0.00 0.00 0.00 46.02 43.54 1hpx n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1hpx s ARG 41 N -1.26 2.62 0.09 1.61 3.00 -1.26 -5.11 118.95 118.64 1hpx s ARG 41 Ca 0.00 -0.75 -0.03 0.00 0.00 0.00 0.00 55.73 54.94 1hpx s ARG 41 Cb 0.00 -2.58 -0.03 0.00 0.00 0.00 0.00 34.95 32.34 1hpx s ARG 41 CO 0.00 0.57 0.07 1.67 0.00 0.00 0.00 175.30 177.61 1hpx s TRP 42 N -1.20 0.51 0.16 -0.53 1.48 -1.26 -4.40 118.94 113.70 1hpx s TRP 42 Ca 0.23 -0.98 0.11 0.00 -1.06 0.00 0.00 56.10 54.40 1hpx s TRP 42 Cb -0.12 -0.31 -0.04 0.00 -1.16 0.00 0.00 33.47 31.84 1hpx s TRP 42 CO 0.15 -0.48 -0.24 0.15 -4.06 0.00 0.00 176.95 172.47 1hpx s LYS 43 N -3.94 1.41 0.39 3.25 1.02 -0.57 -4.89 119.74 116.41 1hpx s LYS 43 Ca 0.12 -1.42 -0.25 0.00 0.02 0.00 0.00 55.97 54.43 1hpx s LYS 43 Cb 0.07 -1.73 -0.09 0.00 -0.52 0.00 0.00 37.83 35.56 1hpx s LYS 43 CO -0.06 0.38 1.11 -2.14 -0.92 0.00 0.00 175.35 173.72 1hpx s PRO 44 N -2.45 4.16 0.08 -1.68 0.02 -1.26 -0.34 135.00 133.53 1hpx s PRO 44 Ca 0.17 1.70 -0.13 0.00 0.02 0.00 0.00 61.00 62.75 1hpx s PRO 44 Cb -0.08 -2.68 0.02 0.00 0.02 0.00 0.00 34.50 31.78 1hpx s PRO 44 CO 0.08 -0.19 0.31 0.21 -0.33 0.00 0.00 177.00 177.08 1hpx s LYS 45 N -2.28 0.91 -0.07 5.54 2.20 -0.24 -4.87 119.74 120.93 1hpx s LYS 45 Ca 0.56 -0.70 0.04 0.00 -0.36 0.00 0.00 55.97 55.51 1hpx s LYS 45 Cb -0.27 0.39 0.00 0.00 -1.51 0.00 0.00 37.83 36.44 1hpx s LYS 45 CO 0.34 -0.32 -0.19 -1.64 -0.36 0.00 0.00 175.35 173.19 1hpx s MET 46 N -3.34 2.31 0.09 4.03 -1.94 -1.26 -1.13 119.30 118.06 1hpx s MET 46 Ca 0.01 -0.67 0.09 0.00 -1.71 0.00 0.00 55.69 53.40 1hpx s MET 46 Cb 0.02 -1.84 -0.03 0.00 2.01 0.00 0.00 34.83 34.98 1hpx s MET 46 CO -0.08 0.16 -0.23 0.96 -0.01 0.00 0.00 175.02 175.82 1hpx s ILE 47 N 0.34 1.86 -0.06 2.53 -4.36 -0.95 -4.95 121.20 115.60 1hpx s ILE 47 Ca -0.13 -1.51 0.03 0.00 -0.26 0.00 0.00 60.65 58.78 1hpx s ILE 47 Cb -0.16 -1.66 0.00 0.00 1.25 0.00 0.00 42.46 41.90 1hpx s ILE 47 CO 0.05 0.06 -0.17 -0.83 0.24 0.00 0.00 174.94 174.29 1hpx s GLY 48 N -1.75 0.96 0.00 6.27 0.00 -1.26 -1.35 107.32 110.19 1hpx s GLY 48 Ca 0.09 -0.64 0.00 0.00 0.00 0.00 0.00 44.72 44.16 1hpx s GLY 48 CO 0.04 -0.16 0.00 0.61 0.00 0.00 0.00 173.10 173.59 1hpx n GLY 49 N 3.49 5.29 0.31 0.20 0.00 0.48 -4.97 105.19 109.99 1hpx n GLY 49 Ca -0.20 -1.42 -0.02 0.00 0.00 0.00 0.00 46.02 44.39 1hpx n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1hpx h ILE 50 N 0.00 1.11 -0.59 -0.61 6.09 -2.03 -1.90 117.51 119.58 1hpx h ILE 50 Ca 0.00 -0.34 0.00 0.00 -1.37 0.00 0.00 64.86 63.15 1hpx h ILE 50 Cb 0.00 0.02 0.00 0.00 0.47 0.00 0.00 36.82 37.31 1hpx h ILE 50 CO 0.00 0.18 0.00 0.61 -3.07 0.00 0.00 178.15 175.87 1hpx n GLY 51 N -1.32 2.22 0.00 8.18 0.00 -1.26 -5.06 105.19 107.95 1hpx n GLY 51 Ca 0.10 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.37 1hpx n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hpx n GLY 52 N 1.53 0.58 3.55 -0.02 0.00 -0.71 -5.10 105.19 105.01 1hpx n GLY 52 Ca 0.22 -2.10 -0.30 0.00 0.00 0.00 0.00 46.02 43.84 1hpx n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1hpx s PHE 53 N -0.93 2.67 0.12 1.61 0.40 -1.26 -0.39 117.98 120.20 1hpx s PHE 53 Ca 0.00 -0.19 0.04 0.00 -0.60 0.00 0.00 56.93 56.18 1hpx s PHE 53 Cb 0.00 -1.41 -0.04 0.00 0.51 0.00 0.00 43.02 42.08 1hpx s PHE 53 CO 0.00 0.41 -0.11 0.96 0.70 0.00 0.00 175.22 177.18 1hpx s ILE 54 N -1.18 1.06 0.03 0.64 -4.36 -0.45 -4.96 121.20 111.97 1hpx s ILE 54 Ca 0.20 -1.79 -0.20 0.00 -0.26 0.00 0.00 60.65 58.60 1hpx s ILE 54 Cb -0.11 -1.54 -0.06 0.00 1.25 0.00 0.00 42.46 42.00 1hpx s ILE 54 CO 0.12 -0.60 0.58 -0.54 0.24 0.00 0.00 174.94 174.74 1hpx s LYS 55 N -3.09 4.26 0.07 0.37 1.02 -1.26 -2.23 119.74 118.88 1hpx s LYS 55 Ca 0.09 0.73 0.01 0.00 0.02 0.00 0.00 55.97 56.83 1hpx s LYS 55 Cb -0.01 -3.30 -0.04 0.00 -0.52 0.00 0.00 37.83 33.96 1hpx s LYS 55 CO 0.00 0.49 -0.05 0.14 -0.92 0.00 0.00 175.35 175.01 1hpx s VAL 56 N -0.60 0.48 -0.15 3.17 -7.23 -0.28 -4.52 120.40 111.27 1hpx s VAL 56 Ca 0.30 -1.70 -0.07 0.00 -1.81 0.00 0.00 61.98 58.71 1hpx s VAL 56 Cb -0.19 -1.37 -0.04 0.00 0.56 0.00 0.00 36.38 35.34 1hpx s VAL 56 CO 0.18 -0.81 0.08 -0.13 -0.31 0.00 0.00 175.10 174.11 1hpx s ARG 57 N -3.36 3.66 -0.26 4.82 0.52 -0.23 -1.08 118.95 123.02 1hpx s ARG 57 Ca 0.05 -0.27 -0.08 0.00 -0.52 0.00 0.00 55.73 54.90 1hpx s ARG 57 Cb 0.03 -3.16 -0.03 0.00 0.52 0.00 0.00 34.95 32.31 1hpx s ARG 57 CO -0.05 0.51 0.11 -1.14 0.02 0.00 0.00 175.30 174.75 1hpx s GLN 58 N -0.30 3.73 -0.09 3.54 0.74 0.53 -0.40 119.66 127.43 1hpx s GLN 58 Ca 0.09 -0.44 -0.01 0.00 0.05 0.00 0.00 55.36 55.06 1hpx s GLN 58 Cb -0.12 -3.42 -0.03 0.00 1.10 0.00 0.00 33.01 30.54 1hpx s GLN 58 CO 0.01 -0.19 -0.05 0.71 -0.55 0.00 0.00 175.29 175.22 1hpx s TYR 59 N 1.66 3.01 0.16 1.67 1.51 0.11 -1.51 117.35 123.95 1hpx s TYR 59 Ca 0.07 0.01 0.03 0.00 -1.01 0.00 0.00 57.07 56.17 1hpx s TYR 59 Cb -0.15 -1.77 -0.04 0.00 -0.11 0.00 0.00 41.96 39.89 1hpx s TYR 59 CO 0.06 0.30 0.25 -0.51 -1.11 0.00 0.00 175.55 174.55 1hpx s ASP 60 N -0.63 6.14 -1.31 2.29 1.01 -1.26 -1.48 116.67 121.43 1hpx s ASP 60 Ca 0.10 0.09 -0.03 0.00 0.71 0.00 0.00 52.55 53.42 1hpx s ASP 60 Cb -0.12 -1.79 0.01 0.00 1.01 0.00 0.00 42.92 42.03 1hpx s ASP 60 CO 0.02 0.05 0.91 0.00 0.21 0.00 0.00 175.17 176.35 1hpx n GLN 61 N -0.57 -6.00 -3.35 8.23 6.02 -0.86 -4.92 117.38 115.93 1hpx n GLN 61 Ca -0.07 0.72 -0.38 0.00 -0.01 0.00 0.00 57.00 57.26 1hpx n GLN 61 Cb 0.54 -5.55 -0.06 0.00 1.02 0.00 0.00 30.24 26.20 1hpx n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1hpx s ILE 62 N -3.47 5.05 -0.13 5.09 -1.09 0.72 -4.65 121.20 122.71 1hpx s ILE 62 Ca 0.18 0.99 -0.20 0.00 -2.23 0.00 0.00 60.65 59.39 1hpx s ILE 62 Cb -0.08 -3.81 -0.04 0.00 -1.58 0.00 0.00 42.46 36.95 1hpx s ILE 62 CO 0.78 0.44 0.56 -0.22 -1.23 0.00 0.00 174.94 175.27 1hpx s LEU 63 N -0.21 4.24 0.15 2.97 1.98 -1.26 -0.61 118.68 125.94 1hpx s LEU 63 Ca 0.26 0.88 0.09 0.00 -2.89 0.00 0.00 54.13 52.47 1hpx s LEU 63 Cb -0.17 -2.82 -0.04 0.00 0.66 0.00 0.00 46.19 43.83 1hpx s LEU 63 CO 0.13 -0.11 -0.19 -0.63 -1.89 0.00 0.00 176.35 173.66 1hpx s ILE 64 N 1.07 1.84 -0.06 6.68 1.01 -0.42 -4.57 121.20 126.74 1hpx s ILE 64 Ca 0.29 -1.85 0.05 0.00 0.00 0.00 0.00 60.65 59.13 1hpx s ILE 64 Cb -0.16 -1.81 -0.00 0.00 0.01 0.00 0.00 42.46 40.50 1hpx s ILE 64 CO 0.12 -0.25 -0.22 -1.83 0.00 0.00 0.00 174.94 172.76 1hpx s GLU 65 N -2.62 2.37 -0.32 2.79 -1.05 -0.49 -1.44 118.70 117.95 1hpx s GLU 65 Ca 0.14 -0.78 -0.02 0.00 -0.15 0.00 0.00 54.97 54.17 1hpx s GLU 65 Cb -0.07 -1.96 0.06 0.00 -0.44 0.00 0.00 34.13 31.73 1hpx s GLU 65 CO 0.06 0.27 0.03 0.42 0.95 0.00 0.00 175.26 177.00 1hpx s ILE 66 N 0.06 3.03 -1.43 1.83 1.01 -0.36 -0.96 121.20 124.39 1hpx s ILE 66 Ca -0.08 -1.49 -0.03 0.00 0.00 0.00 0.00 60.65 59.05 1hpx s ILE 66 Cb -0.14 -2.80 0.00 0.00 0.01 0.00 0.00 42.46 39.53 1hpx s ILE 66 CO 0.04 -0.20 0.32 0.00 0.00 0.00 0.00 174.94 175.10 1hpx n GLY 68 N -2.17 1.18 3.54 0.00 0.00 -1.26 -5.02 105.19 101.46 1hpx n GLY 68 Ca -0.29 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.38 1hpx n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1hpx s HIS 69 N -3.58 3.11 0.33 1.61 4.02 -0.52 -5.08 115.29 115.18 1hpx s HIS 69 Ca 0.00 -0.19 -0.24 0.00 1.02 0.00 0.00 55.06 55.66 1hpx s HIS 69 Cb 0.00 -2.02 -0.10 0.00 -1.02 0.00 0.00 32.58 29.44 1hpx s HIS 69 CO 0.00 0.00 0.91 0.15 1.02 0.00 0.00 174.74 176.82 1hpx s LYS 70 N 0.46 4.45 -0.00 1.40 1.02 -1.26 -1.22 119.74 124.58 1hpx s LYS 70 Ca -0.01 1.20 -0.07 0.00 0.02 0.00 0.00 55.97 57.11 1hpx s LYS 70 Cb -0.14 -2.67 0.00 0.00 -0.52 0.00 0.00 37.83 34.51 1hpx s LYS 70 CO 0.02 0.23 0.14 0.00 -0.92 0.00 0.00 175.35 174.81 1hpx s ALA 71 N -1.73 -0.32 -0.03 5.17 0.00 -0.52 -4.70 121.76 119.62 1hpx s ALA 71 Ca 0.52 -0.11 0.01 0.00 0.00 0.00 0.00 51.96 52.38 1hpx s ALA 71 Cb -0.16 0.09 0.02 0.00 0.00 0.00 0.00 23.12 23.06 1hpx s ALA 71 CO 0.21 -0.20 -0.04 0.42 0.00 0.00 0.00 175.76 176.15 1hpx s ILE 72 N -1.29 0.47 -1.26 0.00 1.09 -1.26 -1.30 121.20 117.66 1hpx s ILE 72 Ca -0.14 -0.12 0.00 0.00 -1.10 0.00 0.00 60.65 59.29 1hpx s ILE 72 Cb -0.07 -0.49 0.00 0.00 -1.06 0.00 0.00 42.46 40.84 1hpx s ILE 72 CO 0.01 0.19 0.00 0.61 -0.10 0.00 0.00 174.94 175.66 1hpx n GLY 73 N 3.83 -0.58 3.71 6.18 0.00 0.22 -4.87 105.19 113.69 1hpx n GLY 73 Ca -0.24 -0.66 -0.41 0.00 0.00 0.00 0.00 46.02 44.72 1hpx n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1hpx s THR 74 N -3.20 4.97 -0.05 2.61 2.01 -1.26 -0.20 115.64 120.53 1hpx s THR 74 Ca 0.00 1.69 0.05 0.00 0.31 0.00 0.00 61.69 63.75 1hpx s THR 74 Cb 0.00 -4.15 -0.01 0.00 0.01 0.00 0.00 72.50 68.35 1hpx s THR 74 CO 0.00 0.21 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.24 1hpx s VAL 75 N 0.92 1.70 -0.16 3.82 1.01 -0.55 -4.41 120.40 122.74 1hpx s VAL 75 Ca 0.43 -0.87 -0.07 0.00 0.00 0.00 0.00 61.98 61.47 1hpx s VAL 75 Cb -0.19 -1.45 -0.04 0.00 0.00 0.00 0.00 36.38 34.70 1hpx s VAL 75 CO 0.22 0.48 0.07 -0.76 0.00 0.00 0.00 175.10 175.11 1hpx s LEU 76 N -0.08 3.93 -0.15 3.92 1.43 -0.19 -0.71 118.68 126.81 1hpx s LEU 76 Ca -0.03 0.17 0.00 0.00 -1.03 0.00 0.00 54.13 53.25 1hpx s LEU 76 Cb -0.12 -1.98 -0.00 0.00 0.03 0.00 0.00 46.19 44.12 1hpx s LEU 76 CO 0.03 0.24 -0.15 -0.69 0.23 0.00 0.00 176.35 176.01 1hpx s VAL 77 N -0.05 2.69 0.06 -1.59 1.01 0.47 -0.09 120.40 122.91 1hpx s VAL 77 Ca 0.07 -0.76 -0.05 0.00 0.00 0.00 0.00 61.98 61.24 1hpx s VAL 77 Cb -0.12 -2.14 0.02 0.00 0.00 0.00 0.00 36.38 34.14 1hpx s VAL 77 CO 0.01 0.51 0.23 0.61 0.00 0.00 0.00 175.10 176.46 1hpx n GLY 78 N 4.05 1.37 2.57 4.51 0.00 -0.68 -1.07 105.19 115.93 1hpx n GLY 78 Ca -0.19 -1.01 -0.39 0.00 0.00 0.00 0.00 46.02 44.43 1hpx n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1hpx n PRO 79 N -0.16 3.05 -3.16 1.61 -0.04 -1.26 -2.01 135.00 133.03 1hpx n PRO 79 Ca -0.01 -2.29 -0.33 0.00 -0.04 0.00 0.00 63.50 60.83 1hpx n PRO 79 Cb 0.14 -2.99 -0.06 0.00 -0.04 0.00 0.00 33.50 30.55 1hpx n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1hpx s THR 80 N 2.92 4.69 0.26 0.52 -1.32 -1.26 -4.99 115.64 116.46 1hpx s THR 80 Ca 0.57 0.95 -0.02 0.00 -1.21 0.00 0.00 61.69 61.98 1hpx s THR 80 Cb 0.15 -3.64 0.12 0.00 -1.51 0.00 0.00 72.50 67.63 1hpx s THR 80 CO -0.06 -0.13 1.77 -0.65 -2.21 0.00 0.00 174.62 173.34 1hpx h PRO 81 N 2.41 0.79 -4.67 7.08 0.11 -1.99 -3.44 132.00 132.29 1hpx h PRO 81 Ca -0.48 -0.20 -0.30 0.00 0.11 0.00 0.00 66.00 65.13 1hpx h PRO 81 Cb 1.18 -0.10 -0.22 0.00 0.11 0.00 0.00 31.00 31.97 1hpx h PRO 81 CO 0.66 0.79 -0.74 0.54 -0.21 0.00 0.00 178.00 179.03 1hpx s VAL 82 N -5.01 0.62 0.07 3.15 0.11 -1.26 -5.06 120.40 113.02 1hpx s VAL 82 Ca -0.09 -1.03 -0.31 0.00 -2.93 0.00 0.00 61.98 57.62 1hpx s VAL 82 Cb 0.15 -0.66 -0.06 0.00 -1.53 0.00 0.00 36.38 34.28 1hpx s VAL 82 CO 0.81 -0.31 1.23 0.20 -3.33 0.00 0.00 175.10 173.70 1hpx s ASN 83 N -1.46 7.04 -0.17 3.54 0.01 -1.26 -4.71 114.94 117.93 1hpx s ASN 83 Ca -0.08 2.05 0.01 0.00 -0.71 0.00 0.00 52.86 54.14 1hpx s ASN 83 Cb -0.09 -2.58 0.02 0.00 0.41 0.00 0.00 41.25 39.01 1hpx s ASN 83 CO 0.01 -0.50 -0.20 -0.63 -1.51 0.00 0.00 177.10 174.26 1hpx s ILE 84 N 1.10 2.06 -0.31 0.60 1.01 0.27 -0.39 121.20 125.55 1hpx s ILE 84 Ca 0.59 -0.95 -0.14 0.00 0.00 0.00 0.00 60.65 60.16 1hpx s ILE 84 Cb -0.30 -1.85 -0.03 0.00 0.01 0.00 0.00 42.46 40.29 1hpx s ILE 84 CO 0.29 0.54 0.33 -0.63 0.00 0.00 0.00 174.94 175.47 1hpx s ILE 85 N 1.19 5.20 0.42 2.92 -1.09 0.16 -1.65 121.20 128.35 1hpx s ILE 85 Ca 0.03 0.22 0.05 0.00 -2.23 0.00 0.00 60.65 58.72 1hpx s ILE 85 Cb -0.14 -3.72 0.05 0.00 -1.58 0.00 0.00 42.46 37.08 1hpx s ILE 85 CO -0.11 0.06 0.45 0.61 -1.23 0.00 0.00 174.94 174.72 1hpx n GLY 86 N 4.90 2.38 0.28 6.18 0.00 -1.19 -0.95 105.19 116.79 1hpx n GLY 86 Ca -0.10 -2.23 0.13 0.00 0.00 0.00 0.00 46.02 43.82 1hpx n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1hpx h ARG 87 N 0.00 0.00 -0.08 1.61 3.08 -0.93 -1.37 114.38 116.69 1hpx h ARG 87 Ca -0.23 0.00 0.02 0.00 0.07 0.00 0.00 59.98 59.85 1hpx h ARG 87 Cb 0.93 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.97 1hpx h ARG 87 CO 0.34 0.04 0.06 -2.95 -1.07 0.00 0.00 179.97 176.39 1hpx h ASN 88 N 0.00 0.00 0.00 7.04 -1.07 -1.83 -2.22 115.58 117.51 1hpx h ASN 88 Ca -0.00 0.00 -0.35 0.00 0.07 0.00 0.00 56.30 56.02 1hpx h ASN 88 Cb 0.10 0.00 -0.07 0.00 -2.07 0.00 0.00 38.32 36.28 1hpx h ASN 88 CO 0.01 0.00 -2.33 0.18 0.07 0.00 0.00 177.43 175.35 1hpx n LEU 89 N -4.45 0.41 -0.09 6.14 4.77 -0.57 -4.43 117.00 118.78 1hpx n LEU 89 Ca -0.01 -0.02 0.04 0.00 -0.03 0.00 0.00 56.01 55.99 1hpx n LEU 89 Cb 0.17 0.29 0.37 0.00 -2.33 0.00 0.00 43.42 41.93 1hpx n LEU 89 CO 0.34 0.54 1.19 -0.07 -1.33 0.00 0.00 177.39 178.06 1hpx h LEU 90 N 0.00 0.60 -1.03 2.23 3.38 -1.32 -1.07 115.31 118.10 1hpx h LEU 90 Ca -0.53 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.45 1hpx h LEU 90 Cb 2.14 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 42.70 1hpx h LEU 90 CO 0.01 0.42 0.66 0.71 0.09 0.00 0.00 178.44 180.33 1hpx h THR 91 N 0.70 1.24 0.00 0.22 1.35 -1.62 -1.82 112.91 112.99 1hpx h THR 91 Ca 0.21 -0.46 -0.02 0.00 -0.55 0.00 0.00 66.41 65.60 1hpx h THR 91 Cb -0.01 -0.21 -0.00 0.00 -1.73 0.00 0.00 68.15 66.20 1hpx h THR 91 CO -0.05 0.24 -0.07 1.56 -0.25 0.00 0.00 175.52 176.95 1hpx h GLN 92 N 1.33 0.00 -0.03 4.72 4.20 -1.41 -1.87 115.11 122.05 1hpx h GLN 92 Ca 0.37 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.08 1hpx h GLN 92 Cb -0.14 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.64 1hpx h GLN 92 CO -0.08 0.07 0.00 0.44 -0.67 0.00 0.00 178.83 178.59 1hpx n ILE 93 N -3.22 0.00 -1.67 2.54 -5.35 -1.10 -4.91 119.36 105.65 1hpx n ILE 93 Ca 0.00 -0.44 0.00 0.00 -0.27 0.00 0.00 62.75 62.04 1hpx n ILE 93 Cb 0.33 1.24 0.00 0.00 -1.74 0.00 0.00 39.64 39.47 1hpx n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1hpx n GLY 94 N 1.31 0.65 3.73 3.28 0.00 -0.70 -5.01 105.19 108.45 1hpx n GLY 94 Ca 0.15 -0.74 -0.40 0.00 0.00 0.00 0.00 46.02 45.03 1hpx n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hpx s THR 96 N 0.11 2.18 -0.12 0.00 -4.23 -1.26 -4.74 115.64 107.57 1hpx s THR 96 Ca 0.43 -2.31 -0.04 0.00 -1.18 0.00 0.00 61.69 58.58 1hpx s THR 96 Cb -0.21 -2.29 -0.04 0.00 1.34 0.00 0.00 72.50 71.30 1hpx s THR 96 CO 0.25 -0.42 0.04 -0.76 -0.54 0.00 0.00 174.62 173.20 1hpx s LEU 97 N -3.46 3.78 -0.03 4.79 1.43 -1.26 -5.10 118.68 118.83 1hpx s LEU 97 Ca 0.28 0.17 0.01 0.00 -1.03 0.00 0.00 54.13 53.57 1hpx s LEU 97 Cb -0.02 -1.90 0.02 0.00 0.03 0.00 0.00 46.19 44.31 1hpx s LEU 97 CO 0.13 0.32 -0.04 0.20 0.23 0.00 0.00 176.35 177.18 1hpx s ASN 98 N -0.49 0.84 0.00 2.29 -0.87 -1.26 -5.30 114.94 110.14 1hpx s ASN 98 Ca 0.10 -0.12 0.00 0.00 -1.57 0.00 0.00 52.86 51.27 1hpx s ASN 98 Cb -0.12 -0.35 0.00 0.00 -0.02 0.00 0.00 41.25 40.76 1hpx s ASN 98 CO 0.02 -0.03 0.00 2.22 -2.57 0.00 0.00 177.10 176.74