#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 3.34 -0.18 0.54 0.74 -1.26 -5.10 119.66 117.75 1hpx s GLN 2 Ca 0.00 -0.66 -0.03 0.00 0.05 0.00 0.00 55.36 54.72 1hpx s GLN 2 Cb 0.00 -2.90 -0.02 0.00 1.10 0.00 0.00 33.01 31.19 1hpx s GLN 2 CO 0.00 -0.13 -0.05 0.42 -0.55 0.00 0.00 175.29 174.99 1hpx s ILE 3 N 1.26 3.63 0.65 -2.34 1.01 -1.26 -5.11 121.20 119.04 1hpx s ILE 3 Ca 0.03 -0.44 -0.03 0.00 0.00 0.00 0.00 60.65 60.21 1hpx s ILE 3 Cb -0.14 -2.61 0.05 0.00 0.01 0.00 0.00 42.46 39.78 1hpx s ILE 3 CO -0.03 0.47 0.92 0.42 0.00 0.00 0.00 174.94 176.72 1hpx s THR 4 N 0.79 2.42 -0.22 2.92 -4.23 -1.26 -5.01 115.64 111.05 1hpx s THR 4 Ca -0.02 -0.44 0.13 0.00 -1.18 0.00 0.00 61.69 60.19 1hpx s THR 4 Cb -0.15 -2.98 0.46 0.00 1.34 0.00 0.00 72.50 71.17 1hpx s THR 4 CO 0.02 0.00 1.36 0.18 -0.54 0.00 0.00 174.62 175.64 1hpx n LEU 5 N -2.70 3.53 0.18 4.79 4.77 -1.26 -4.48 117.00 121.84 1hpx n LEU 5 Ca 0.08 -3.46 0.02 0.00 -0.03 0.00 0.00 56.01 52.63 1hpx n LEU 5 Cb 0.60 -0.56 0.35 0.00 -2.33 0.00 0.00 43.42 41.48 1hpx n LEU 5 CO 0.49 1.01 0.71 -0.50 -1.33 0.00 0.00 177.39 177.77 1hpx h TRP 6 N 1.03 0.00 -1.92 -1.77 4.06 -2.06 -3.42 115.95 111.87 1hpx h TRP 6 Ca 0.09 0.00 -0.54 0.00 2.06 0.00 0.00 58.89 60.50 1hpx h TRP 6 Cb 1.39 0.00 -0.08 0.00 -1.00 0.00 0.00 29.16 29.47 1hpx h TRP 6 CO 0.65 0.39 -0.54 -0.65 -3.56 0.00 0.00 178.44 174.73 1hpx s GLN 7 N -4.15 2.40 0.27 0.49 -0.21 -1.26 -5.09 119.66 112.10 1hpx s GLN 7 Ca -0.03 -1.51 -0.31 0.00 0.02 0.00 0.00 55.36 53.54 1hpx s GLN 7 Cb 0.14 -2.20 -0.13 0.00 1.00 0.00 0.00 33.01 31.83 1hpx s GLN 7 CO 0.73 0.14 1.49 0.54 -2.12 0.00 0.00 175.29 176.07 1hpx n ARG 8 N -1.14 2.32 -1.56 2.91 1.74 -1.26 -4.88 116.66 114.79 1hpx n ARG 8 Ca -0.03 0.83 -0.42 0.00 -0.77 0.00 0.00 57.85 57.45 1hpx n ARG 8 Cb 0.61 -2.54 -0.02 0.00 -1.02 0.00 0.00 32.46 29.49 1hpx n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1hpx n PRO 9 N 2.04 2.33 -3.17 5.56 -0.04 -1.26 -4.94 135.00 135.52 1hpx n PRO 9 Ca 0.10 -2.35 -0.39 0.00 -0.04 0.00 0.00 63.50 60.82 1hpx n PRO 9 Cb 0.34 -3.17 -0.05 0.00 -0.04 0.00 0.00 33.50 30.57 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 2.18 4.41 0.21 1.53 1.43 -1.26 -1.23 118.68 125.94 1hpx s LEU 10 Ca 0.52 1.19 0.03 0.00 -1.03 0.00 0.00 54.13 54.83 1hpx s LEU 10 Cb 0.13 -2.96 -0.05 0.00 0.03 0.00 0.00 46.19 43.34 1hpx s LEU 10 CO 0.00 0.07 0.01 0.68 0.23 0.00 0.00 176.35 177.34 1hpx s VAL 11 N -0.07 0.87 -0.09 -1.59 -7.23 0.67 -4.93 120.40 108.02 1hpx s VAL 11 Ca 0.32 -2.01 -0.16 0.00 -1.81 0.00 0.00 61.98 58.32 1hpx s VAL 11 Cb -0.18 -2.28 -0.05 0.00 0.56 0.00 0.00 36.38 34.43 1hpx s VAL 11 CO 0.18 -0.35 0.42 -0.89 -0.31 0.00 0.00 175.10 174.14 1hpx s THR 12 N -3.53 5.16 0.13 5.32 2.01 -1.26 -0.30 115.64 123.17 1hpx s THR 12 Ca 0.27 0.84 0.11 0.00 0.31 0.00 0.00 61.69 63.22 1hpx s THR 12 Cb 0.06 -3.75 -0.04 0.00 0.01 0.00 0.00 72.50 68.78 1hpx s THR 12 CO 0.07 0.41 -0.27 0.27 -0.69 0.00 0.00 174.62 174.42 1hpx s ILE 13 N 0.08 2.25 -0.16 1.82 -4.36 0.11 -2.84 121.20 118.11 1hpx s ILE 13 Ca 0.23 -1.77 -0.02 0.00 -0.26 0.00 0.00 60.65 58.83 1hpx s ILE 13 Cb -0.15 -2.00 -0.01 0.00 1.25 0.00 0.00 42.46 41.55 1hpx s ILE 13 CO 0.10 0.07 -0.10 -0.75 0.24 0.00 0.00 174.94 174.50 1hpx s LYS 14 N -2.10 3.41 -0.09 0.37 2.20 -0.14 -0.66 119.74 122.73 1hpx s LYS 14 Ca 0.14 -0.65 -0.04 0.00 -0.36 0.00 0.00 55.97 55.06 1hpx s LYS 14 Cb -0.10 -2.76 0.05 0.00 -1.51 0.00 0.00 37.83 33.50 1hpx s LYS 14 CO 0.06 0.10 0.19 -1.50 -0.36 0.00 0.00 175.35 173.85 1hpx s ILE 15 N 0.65 -0.11 -1.47 5.43 2.07 0.15 -1.14 121.20 126.77 1hpx s ILE 15 Ca -0.05 0.20 -0.11 0.00 -1.41 0.00 0.00 60.65 59.28 1hpx s ILE 15 Cb -0.15 -0.32 0.06 0.00 0.13 0.00 0.00 42.46 42.19 1hpx s ILE 15 CO 0.02 0.08 0.85 0.61 -1.91 0.00 0.00 174.94 174.60 1hpx n GLY 16 N 4.48 -0.51 3.50 1.50 0.00 -1.26 -0.32 105.19 112.58 1hpx n GLY 16 Ca -0.21 0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.60 0.42 3.94 -0.02 0.00 -1.26 -4.99 105.19 101.68 1hpx n GLY 17 Ca 0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.78 1hpx n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1hpx s GLN 18 N -0.60 3.51 -0.08 1.61 -1.52 0.56 -5.09 119.66 118.05 1hpx s GLN 18 Ca 0.00 -0.33 -0.02 0.00 -1.95 0.00 0.00 55.36 53.06 1hpx s GLN 18 Cb 0.00 -2.72 -0.03 0.00 -0.22 0.00 0.00 33.01 30.04 1hpx s GLN 18 CO 0.00 0.24 -0.00 -1.17 -0.25 0.00 0.00 175.29 174.11 1hpx s LEU 19 N -3.96 3.57 0.15 2.90 2.96 -1.26 -0.68 118.68 122.36 1hpx s LEU 19 Ca 0.40 0.14 -0.06 0.00 -0.22 0.00 0.00 54.13 54.38 1hpx s LEU 19 Cb -0.10 -1.82 -0.02 0.00 0.50 0.00 0.00 46.19 44.76 1hpx s LEU 19 CO 0.33 0.38 0.21 -0.54 -1.32 0.00 0.00 176.35 175.40 1hpx s LYS 20 N -0.89 1.06 0.01 1.98 1.02 0.16 -4.96 119.74 118.12 1hpx s LYS 20 Ca 0.13 -1.24 -0.00 0.00 0.02 0.00 0.00 55.97 54.88 1hpx s LYS 20 Cb -0.11 0.33 -0.04 0.00 -0.52 0.00 0.00 37.83 37.49 1hpx s LYS 20 CO 0.02 -0.36 0.09 -1.21 -0.92 0.00 0.00 175.35 172.97 1hpx s GLU 21 N -3.99 3.08 0.08 1.68 2.02 -1.26 0.09 118.70 120.40 1hpx s GLU 21 Ca 0.18 -0.50 -0.12 0.00 0.02 0.00 0.00 54.97 54.56 1hpx s GLU 21 Cb 0.05 -2.86 0.01 0.00 0.10 0.00 0.00 34.13 31.43 1hpx s GLU 21 CO -0.00 0.64 0.26 0.00 0.02 0.00 0.00 175.26 176.18 1hpx s ALA 22 N -1.23 -0.50 -0.14 5.21 0.00 0.59 -4.63 121.76 121.05 1hpx s ALA 22 Ca 0.24 -0.30 -0.10 0.00 0.00 0.00 0.00 51.96 51.80 1hpx s ALA 22 Cb -0.12 0.46 -0.05 0.00 0.00 0.00 0.00 23.12 23.41 1hpx s ALA 22 CO 0.16 -0.49 0.19 -1.17 0.00 0.00 0.00 175.76 174.44 1hpx s LEU 23 N -2.55 4.31 -0.33 0.00 2.96 0.61 -0.24 118.68 123.44 1hpx s LEU 23 Ca 0.01 0.45 -0.26 0.00 -0.22 0.00 0.00 54.13 54.11 1hpx s LEU 23 Cb 0.02 -2.18 0.01 0.00 0.50 0.00 0.00 46.19 44.54 1hpx s LEU 23 CO -0.08 0.27 0.91 -0.76 -1.32 0.00 0.00 176.35 175.37 1hpx s LEU 24 N -0.32 4.02 -0.35 -0.68 1.43 -0.37 -0.29 118.68 122.12 1hpx s LEU 24 Ca 0.14 0.73 0.02 0.00 -1.03 0.00 0.00 54.13 53.98 1hpx s LEU 24 Cb -0.12 -3.26 0.11 0.00 0.03 0.00 0.00 46.19 42.94 1hpx s LEU 24 CO 0.03 -0.77 0.10 -0.62 0.23 0.00 0.00 176.35 175.32 1hpx s ASP 25 N 1.72 4.30 0.00 2.29 -1.08 -0.44 -4.83 116.67 118.63 1hpx s ASP 25 Ca 0.38 -2.04 0.12 0.00 -0.52 0.00 0.00 52.55 50.48 1hpx s ASP 25 Cb -0.13 -1.24 0.53 0.00 -1.46 0.00 0.00 42.92 40.63 1hpx s ASP 25 CO 0.16 -0.37 1.35 0.35 0.52 0.00 0.00 175.17 177.18 1hpx n THR 26 N 4.36 1.05 1.37 1.71 -2.24 -1.26 -1.85 114.28 117.42 1hpx n THR 26 Ca 0.02 0.26 0.13 0.00 -2.27 0.00 0.00 64.05 62.20 1hpx n THR 26 Cb 0.41 -1.06 0.42 0.00 -2.10 0.00 0.00 70.33 68.00 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 -0.28 0.09 3.54 3.38 0.00 -1.26 -4.82 105.19 105.85 1hpx n GLY 27 Ca 0.04 -0.49 -0.35 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.07 3.25 0.23 4.61 0.00 -0.77 -4.98 121.76 122.03 1hpx s ALA 28 Ca 0.34 -0.92 -0.06 0.00 0.00 0.00 0.00 51.96 51.32 1hpx s ALA 28 Cb 0.21 -1.95 0.23 0.00 0.00 0.00 0.00 23.12 21.60 1hpx s ALA 28 CO 0.36 -0.11 1.79 -0.44 0.00 0.00 0.00 175.76 177.36 1hpx h ASP 29 N 7.37 1.01 -2.59 0.00 3.32 -1.87 0.28 116.42 123.94 1hpx h ASP 29 Ca -0.36 -0.17 -0.54 0.00 0.02 0.00 0.00 57.03 55.98 1hpx h ASP 29 Cb 1.18 -0.26 -0.14 0.00 0.22 0.00 0.00 39.33 40.33 1hpx h ASP 29 CO 0.63 0.92 -0.63 -1.81 -1.72 0.00 0.00 179.24 176.64 1hpx s ASP 30 N -6.44 3.03 -0.27 6.45 1.01 -1.26 -2.24 116.67 116.95 1hpx s ASP 30 Ca -0.12 -1.31 -0.09 0.00 0.71 0.00 0.00 52.55 51.74 1hpx s ASP 30 Cb 0.16 -0.22 -0.04 0.00 1.01 0.00 0.00 42.92 43.83 1hpx s ASP 30 CO 0.83 -0.46 0.13 -0.89 0.21 0.00 0.00 175.17 175.00 1hpx s THR 31 N -2.99 4.81 -0.15 -1.27 2.01 -1.26 -3.59 115.64 113.20 1hpx s THR 31 Ca 0.34 -0.03 0.02 0.00 0.31 0.00 0.00 61.69 62.33 1hpx s THR 31 Cb 0.07 -3.29 0.01 0.00 0.01 0.00 0.00 72.50 69.30 1hpx s THR 31 CO 0.15 0.27 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.45 1hpx s VAL 32 N 1.68 2.05 0.24 3.82 1.01 -0.91 -0.39 120.40 127.90 1hpx s VAL 32 Ca 0.07 -0.96 0.09 0.00 0.00 0.00 0.00 61.98 61.18 1hpx s VAL 32 Cb -0.16 -1.82 -0.04 0.00 0.00 0.00 0.00 36.38 34.36 1hpx s VAL 32 CO 0.07 0.54 -0.03 -0.76 0.00 0.00 0.00 175.10 174.93 1hpx s LEU 33 N 0.96 3.14 0.97 3.92 1.43 0.12 -1.37 118.68 127.85 1hpx s LEU 33 Ca -0.03 -0.62 -0.13 0.00 -1.03 0.00 0.00 54.13 52.32 1hpx s LEU 33 Cb -0.15 -1.71 0.07 0.00 0.03 0.00 0.00 46.19 44.43 1hpx s LEU 33 CO -0.05 0.03 0.52 -1.84 0.23 0.00 0.00 176.35 175.24 1hpx n GLU 34 N -0.61 -0.51 -1.67 1.70 0.28 -1.26 -0.95 120.64 117.62 1hpx n GLU 34 Ca -0.08 -0.11 -0.56 0.00 -0.16 0.00 0.00 57.16 56.26 1hpx n GLU 34 Cb 0.58 -1.95 -0.07 0.00 1.43 0.00 0.00 31.44 31.43 1hpx n GLU 34 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1hpx n GLU 35 N -2.30 1.09 -3.75 3.44 -0.58 -1.23 -4.46 120.64 112.86 1hpx n GLU 35 Ca 0.07 0.40 -0.09 0.00 -0.42 0.00 0.00 57.16 57.11 1hpx n GLU 35 Cb 0.54 -2.06 -0.04 0.00 -0.57 0.00 0.00 31.44 29.32 1hpx n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1hpx s MET 36 N 2.45 1.43 -0.30 3.49 0.23 -1.26 -5.05 119.30 120.29 1hpx s MET 36 Ca 0.94 -0.88 -0.21 0.00 -1.03 0.00 0.00 55.69 54.51 1hpx s MET 36 Cb -1.05 0.53 -0.01 0.00 -1.53 0.00 0.00 34.83 32.78 1hpx s MET 36 CO 0.60 -0.61 0.68 -1.12 -2.03 0.00 0.00 175.02 172.53 1hpx s SER 37 N -2.88 6.56 -0.01 -1.18 0.01 -1.26 -5.06 113.70 109.88 1hpx s SER 37 Ca 0.10 0.54 0.05 0.00 1.31 0.00 0.00 55.95 57.95 1hpx s SER 37 Cb -0.02 -2.36 -0.03 0.00 0.21 0.00 0.00 66.02 63.83 1hpx s SER 37 CO -0.02 -0.51 -0.17 -0.76 0.41 0.00 0.00 173.24 172.20 1hpx s LEU 38 N 2.70 2.62 0.48 2.44 1.43 -1.26 -5.03 118.68 122.06 1hpx s LEU 38 Ca 0.28 -0.31 -0.23 0.00 -1.03 0.00 0.00 54.13 52.83 1hpx s LEU 38 Cb -0.15 -1.53 -0.07 0.00 0.03 0.00 0.00 46.19 44.48 1hpx s LEU 38 CO 0.11 0.31 1.22 -2.16 0.23 0.00 0.00 176.35 176.06 1hpx s PRO 39 N -1.02 3.61 0.00 1.29 0.04 -1.26 -4.84 135.00 132.82 1hpx s PRO 39 Ca 0.13 1.90 0.00 0.00 0.04 0.00 0.00 61.00 63.07 1hpx s PRO 39 Cb -0.11 -2.38 0.00 0.00 0.04 0.00 0.00 34.50 32.06 1hpx s PRO 39 CO 0.02 -0.71 0.00 0.41 0.04 0.00 0.00 177.00 176.77 1hpx n GLY 40 N 0.52 1.42 3.59 0.56 0.00 -1.26 -5.06 105.19 104.96 1hpx n GLY 40 Ca 0.08 -2.22 -0.31 0.00 0.00 0.00 0.00 46.02 43.57 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 -1.40 2.34 0.12 1.61 3.00 -1.26 -5.11 118.95 118.25 1hpx s ARG 41 Ca 0.00 -0.88 -0.00 0.00 0.00 0.00 0.00 55.73 54.84 1hpx s ARG 41 Cb 0.00 -2.40 -0.04 0.00 0.00 0.00 0.00 34.95 32.51 1hpx s ARG 41 CO 0.00 0.55 0.02 1.67 0.00 0.00 0.00 175.30 177.54 1hpx s TRP 42 N -1.13 0.87 -0.03 -0.53 1.48 -1.26 -4.56 118.94 113.78 1hpx s TRP 42 Ca 0.20 -1.15 0.05 0.00 -1.06 0.00 0.00 56.10 54.14 1hpx s TRP 42 Cb -0.11 -0.51 -0.01 0.00 -1.16 0.00 0.00 33.47 31.68 1hpx s TRP 42 CO 0.12 -0.42 -0.18 0.15 -4.06 0.00 0.00 176.95 172.56 1hpx s LYS 43 N -3.99 1.69 0.24 3.25 3.01 -1.08 -4.91 119.74 117.96 1hpx s LYS 43 Ca 0.20 -0.64 -0.30 0.00 -1.01 0.00 0.00 55.97 54.22 1hpx s LYS 43 Cb 0.07 -1.53 -0.09 0.00 -1.01 0.00 0.00 37.83 35.27 1hpx s LYS 43 CO -0.00 0.31 1.32 -2.14 0.51 0.00 0.00 175.35 175.36 1hpx s PRO 44 N -0.17 4.37 0.07 -1.68 0.02 -1.26 -0.41 135.00 135.94 1hpx s PRO 44 Ca 0.01 2.12 -0.02 0.00 0.02 0.00 0.00 61.00 63.13 1hpx s PRO 44 Cb -0.10 -3.15 -0.04 0.00 0.02 0.00 0.00 34.50 31.23 1hpx s PRO 44 CO 0.01 -0.25 0.01 0.21 -0.33 0.00 0.00 177.00 176.65 1hpx s LYS 45 N -0.57 0.69 -0.04 5.54 2.20 0.09 -4.91 119.74 122.74 1hpx s LYS 45 Ca 0.55 -1.23 0.05 0.00 -0.36 0.00 0.00 55.97 54.98 1hpx s LYS 45 Cb -0.38 0.23 -0.02 0.00 -1.51 0.00 0.00 37.83 36.15 1hpx s LYS 45 CO 0.42 -0.16 -0.17 -1.64 -0.36 0.00 0.00 175.35 173.44 1hpx s MET 46 N -3.94 2.41 0.17 4.03 -1.94 -1.26 -0.51 119.30 118.26 1hpx s MET 46 Ca 0.10 -0.76 0.05 0.00 -1.71 0.00 0.00 55.69 53.38 1hpx s MET 46 Cb 0.08 -2.29 -0.05 0.00 2.01 0.00 0.00 34.83 34.58 1hpx s MET 46 CO -0.08 0.60 -0.11 0.96 -0.01 0.00 0.00 175.02 176.39 1hpx s ILE 47 N -0.68 1.31 0.13 2.53 -4.36 0.09 -4.96 121.20 115.26 1hpx s ILE 47 Ca 0.11 -2.10 -0.02 0.00 -0.26 0.00 0.00 60.65 58.38 1hpx s ILE 47 Cb -0.11 -1.94 -0.04 0.00 1.25 0.00 0.00 42.46 41.63 1hpx s ILE 47 CO 0.00 -0.68 0.08 -0.83 0.24 0.00 0.00 174.94 173.76 1hpx s GLY 48 N -3.22 0.88 0.00 6.27 0.00 -1.26 -0.81 107.32 109.18 1hpx s GLY 48 Ca 0.19 -1.37 0.00 0.00 0.00 0.00 0.00 44.72 43.54 1hpx s GLY 48 CO 0.03 -1.29 0.00 0.61 0.00 0.00 0.00 173.10 172.45 1hpx n GLY 49 N -0.09 2.19 3.73 0.20 0.00 -0.20 -4.99 105.19 106.03 1hpx n GLY 49 Ca -0.06 -0.60 -0.42 0.00 0.00 0.00 0.00 46.02 44.93 1hpx n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1hpx s ILE 50 N -2.15 2.14 0.00 -0.61 -1.09 -1.26 -1.78 121.20 116.45 1hpx s ILE 50 Ca 0.00 0.10 0.00 0.00 -2.23 0.00 0.00 60.65 58.52 1hpx s ILE 50 Cb 0.00 -3.07 0.00 0.00 -1.58 0.00 0.00 42.46 37.81 1hpx s ILE 50 CO 0.00 0.01 0.00 0.61 -1.23 0.00 0.00 174.94 174.33 1hpx n GLY 51 N 3.46 3.31 0.00 6.18 0.00 -1.26 -4.93 105.19 111.95 1hpx n GLY 51 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 -1.88 0.57 3.29 -0.02 0.00 -0.73 -5.08 105.19 101.35 1hpx n GLY 52 Ca 0.00 -1.88 -0.32 0.00 0.00 0.00 0.00 46.02 43.82 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 -1.96 2.54 0.14 1.61 0.40 -1.26 -1.03 117.98 118.42 1hpx s PHE 53 Ca 0.00 -0.74 0.06 0.00 -0.60 0.00 0.00 56.93 55.66 1hpx s PHE 53 Cb 0.00 -1.66 -0.04 0.00 0.51 0.00 0.00 43.02 41.83 1hpx s PHE 53 CO 0.00 -0.23 -0.15 0.96 0.70 0.00 0.00 175.22 176.51 1hpx s ILE 54 N -0.03 1.44 -0.05 0.64 -4.36 0.01 -4.97 121.20 113.88 1hpx s ILE 54 Ca -0.07 -1.82 -0.05 0.00 -0.26 0.00 0.00 60.65 58.46 1hpx s ILE 54 Cb -0.15 -1.65 -0.04 0.00 1.25 0.00 0.00 42.46 41.87 1hpx s ILE 54 CO 0.05 -0.44 0.17 -0.75 0.24 0.00 0.00 174.94 174.21 1hpx s LYS 55 N -2.85 3.45 0.17 0.37 2.20 -1.26 -0.73 119.74 121.09 1hpx s LYS 55 Ca 0.12 -0.22 -0.01 0.00 -0.36 0.00 0.00 55.97 55.50 1hpx s LYS 55 Cb -0.04 -3.14 -0.04 0.00 -1.51 0.00 0.00 37.83 33.10 1hpx s LYS 55 CO 0.04 0.72 0.10 0.14 -0.36 0.00 0.00 175.35 175.99 1hpx s VAL 56 N -1.20 0.05 -0.08 4.02 -7.23 0.33 -4.52 120.40 111.77 1hpx s VAL 56 Ca 0.22 -1.93 -0.03 0.00 -1.81 0.00 0.00 61.98 58.44 1hpx s VAL 56 Cb -0.12 -2.25 -0.04 0.00 0.56 0.00 0.00 36.38 34.53 1hpx s VAL 56 CO 0.12 -0.24 0.05 -0.13 -0.31 0.00 0.00 175.10 174.59 1hpx s ARG 57 N -4.10 3.10 -0.19 4.82 0.52 0.12 -0.73 118.95 122.50 1hpx s ARG 57 Ca 0.31 -0.36 -0.03 0.00 -0.52 0.00 0.00 55.73 55.13 1hpx s ARG 57 Cb 0.07 -2.90 -0.02 0.00 0.52 0.00 0.00 34.95 32.63 1hpx s ARG 57 CO 0.07 0.71 -0.05 -1.14 0.02 0.00 0.00 175.30 174.91 1hpx s GLN 58 N -1.07 3.50 -0.15 3.54 0.74 0.45 -1.10 119.66 125.57 1hpx s GLN 58 Ca 0.15 -0.59 -0.02 0.00 0.05 0.00 0.00 55.36 54.96 1hpx s GLN 58 Cb -0.12 -2.94 -0.02 0.00 1.10 0.00 0.00 33.01 31.04 1hpx s GLN 58 CO 0.05 0.02 -0.10 0.71 -0.55 0.00 0.00 175.29 175.42 1hpx s TYR 59 N 0.93 2.89 0.23 1.67 1.51 0.15 -2.62 117.35 122.10 1hpx s TYR 59 Ca -0.00 -0.60 -0.03 0.00 -1.01 0.00 0.00 57.07 55.42 1hpx s TYR 59 Cb -0.15 -1.91 -0.05 0.00 -0.11 0.00 0.00 41.96 39.75 1hpx s TYR 59 CO 0.01 -0.22 0.45 -0.51 -1.11 0.00 0.00 175.55 174.18 1hpx s ASP 60 N 0.51 6.42 -1.34 2.29 1.01 -1.26 -0.29 116.67 124.01 1hpx s ASP 60 Ca -0.07 0.55 -0.01 0.00 0.71 0.00 0.00 52.55 53.72 1hpx s ASP 60 Cb -0.15 -2.07 -0.00 0.00 1.01 0.00 0.00 42.92 41.71 1hpx s ASP 60 CO 0.04 -0.09 0.58 1.67 0.21 0.00 0.00 175.17 177.57 1hpx n GLN 61 N -0.69 -3.93 -3.67 8.23 7.27 -1.15 -4.91 117.38 118.52 1hpx n GLN 61 Ca -0.03 0.51 -0.37 0.00 0.07 0.00 0.00 57.00 57.18 1hpx n GLN 61 Cb 0.54 -4.82 -0.07 0.00 2.41 0.00 0.00 30.24 28.30 1hpx n GLN 61 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 1hpx s ILE 62 N -3.79 5.32 -0.10 1.69 -1.09 0.23 -4.67 121.20 118.79 1hpx s ILE 62 Ca 0.03 0.47 -0.21 0.00 -2.23 0.00 0.00 60.65 58.71 1hpx s ILE 62 Cb -0.01 -3.56 -0.04 0.00 -1.58 0.00 0.00 42.46 37.28 1hpx s ILE 62 CO 0.85 0.52 0.59 -0.22 -1.23 0.00 0.00 174.94 175.46 1hpx s LEU 63 N -0.47 4.29 0.03 2.97 1.98 -1.26 -0.34 118.68 125.88 1hpx s LEU 63 Ca 0.17 1.00 0.01 0.00 -2.89 0.00 0.00 54.13 52.42 1hpx s LEU 63 Cb -0.13 -2.89 -0.02 0.00 0.66 0.00 0.00 46.19 43.81 1hpx s LEU 63 CO 0.06 -0.07 -0.06 -0.51 -1.89 0.00 0.00 176.35 173.88 1hpx s ILE 64 N 0.77 0.35 -0.16 6.68 2.07 -0.01 -4.53 121.20 126.37 1hpx s ILE 64 Ca 0.32 -0.91 -0.01 0.00 -1.41 0.00 0.00 60.65 58.64 1hpx s ILE 64 Cb -0.16 -0.44 -0.01 0.00 0.13 0.00 0.00 42.46 41.98 1hpx s ILE 64 CO 0.14 -0.37 -0.13 -1.61 -1.91 0.00 0.00 174.94 171.06 1hpx s GLU 65 N -1.36 3.30 -0.37 3.50 2.02 -0.29 -1.19 118.70 124.30 1hpx s GLU 65 Ca -0.11 -0.71 -0.03 0.00 0.02 0.00 0.00 54.97 54.14 1hpx s GLU 65 Cb -0.09 -2.69 0.08 0.00 0.10 0.00 0.00 34.13 31.53 1hpx s GLU 65 CO -0.00 0.05 0.14 0.42 0.02 0.00 0.00 175.26 175.88 1hpx s ILE 66 N 0.76 3.32 -1.27 -1.63 1.01 0.04 -0.96 121.20 122.46 1hpx s ILE 66 Ca -0.05 -1.71 -0.05 0.00 0.00 0.00 0.00 60.65 58.84 1hpx s ILE 66 Cb -0.15 -3.11 -0.01 0.00 0.01 0.00 0.00 42.46 39.20 1hpx s ILE 66 CO 0.01 -0.45 0.69 0.00 0.00 0.00 0.00 174.94 175.19 1hpx n GLY 68 N -1.63 0.21 3.52 0.00 0.00 -1.26 -4.98 105.19 101.04 1hpx n GLY 68 Ca -0.24 -0.01 -0.36 0.00 0.00 0.00 0.00 46.02 45.40 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 -1.28 3.13 0.41 1.61 4.02 -0.48 -5.07 115.29 117.63 1hpx s HIS 69 Ca 0.00 -0.22 -0.22 0.00 1.02 0.00 0.00 55.06 55.64 1hpx s HIS 69 Cb 0.00 -2.16 -0.11 0.00 -1.02 0.00 0.00 32.58 29.29 1hpx s HIS 69 CO 0.00 -0.15 0.94 0.15 1.02 0.00 0.00 174.74 176.70 1hpx s LYS 70 N 1.09 4.28 -0.03 1.40 1.02 -1.26 -0.78 119.74 125.46 1hpx s LYS 70 Ca 0.04 1.14 -0.05 0.00 0.02 0.00 0.00 55.97 57.12 1hpx s LYS 70 Cb -0.14 -2.29 0.01 0.00 -0.52 0.00 0.00 37.83 34.89 1hpx s LYS 70 CO 0.03 0.03 0.12 0.00 -0.92 0.00 0.00 175.35 174.61 1hpx s ALA 71 N -2.08 -0.30 -0.18 5.17 0.00 -0.33 -4.65 121.76 119.38 1hpx s ALA 71 Ca 0.60 0.15 -0.01 0.00 0.00 0.00 0.00 51.96 52.69 1hpx s ALA 71 Cb -0.11 -0.09 0.05 0.00 0.00 0.00 0.00 23.12 22.98 1hpx s ALA 71 CO 0.15 -0.12 -0.02 0.42 0.00 0.00 0.00 175.76 176.19 1hpx s ILE 72 N -0.51 0.93 0.10 0.00 1.01 -1.26 -0.83 121.20 120.64 1hpx s ILE 72 Ca -0.06 -0.65 -0.13 0.00 0.00 0.00 0.00 60.65 59.81 1hpx s ILE 72 Cb -0.04 -1.23 0.05 0.00 0.01 0.00 0.00 42.46 41.25 1hpx s ILE 72 CO 0.01 -0.02 0.62 0.61 0.00 0.00 0.00 174.94 176.16 1hpx n GLY 73 N 4.92 0.86 3.73 6.18 0.00 0.53 -4.77 105.19 116.64 1hpx n GLY 73 Ca -0.11 -1.05 -0.41 0.00 0.00 0.00 0.00 46.02 44.45 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 -2.26 4.13 -0.08 2.61 2.01 -1.26 -0.60 115.64 120.19 1hpx s THR 74 Ca 0.14 1.74 0.02 0.00 0.31 0.00 0.00 61.69 63.90 1hpx s THR 74 Cb -0.02 -4.11 0.01 0.00 0.01 0.00 0.00 72.50 68.40 1hpx s THR 74 CO 0.03 0.25 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.39 1hpx s VAL 75 N 0.12 1.28 -0.13 3.82 1.01 0.60 -4.57 120.40 122.53 1hpx s VAL 75 Ca 0.50 -0.54 -0.06 0.00 0.00 0.00 0.00 61.98 61.88 1hpx s VAL 75 Cb -0.27 -1.17 -0.04 0.00 0.00 0.00 0.00 36.38 34.90 1hpx s VAL 75 CO 0.32 0.39 0.08 -0.76 0.00 0.00 0.00 175.10 175.13 1hpx s LEU 76 N 0.80 3.98 -0.11 3.92 1.43 0.47 -0.68 118.68 128.49 1hpx s LEU 76 Ca -0.12 0.25 0.03 0.00 -1.03 0.00 0.00 54.13 53.27 1hpx s LEU 76 Cb -0.16 -1.97 0.00 0.00 0.03 0.00 0.00 46.19 44.10 1hpx s LEU 76 CO 0.02 0.32 -0.23 -0.69 0.23 0.00 0.00 176.35 176.01 1hpx s VAL 77 N -0.54 2.13 0.01 -1.59 1.01 -0.26 0.14 120.40 121.30 1hpx s VAL 77 Ca 0.11 -0.99 -0.25 0.00 0.00 0.00 0.00 61.98 60.86 1hpx s VAL 77 Cb -0.12 -1.82 0.08 0.00 0.00 0.00 0.00 36.38 34.52 1hpx s VAL 77 CO 0.02 0.56 1.12 0.61 0.00 0.00 0.00 175.10 177.41 1hpx n GLY 78 N 3.62 0.31 2.73 4.51 0.00 -0.12 -0.70 105.19 115.53 1hpx n GLY 78 Ca -0.19 -1.04 -0.42 0.00 0.00 0.00 0.00 46.02 44.37 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 -0.80 2.78 -3.60 1.61 -0.04 -1.26 -3.55 135.00 130.13 1hpx n PRO 79 Ca 0.03 -2.47 -0.36 0.00 -0.04 0.00 0.00 63.50 60.66 1hpx n PRO 79 Cb 0.52 -3.19 -0.06 0.00 -0.04 0.00 0.00 33.50 30.73 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 3.30 5.14 0.50 0.52 -1.32 -1.26 -4.99 115.64 117.53 1hpx s THR 80 Ca 0.50 0.54 0.15 0.00 -1.21 0.00 0.00 61.69 61.67 1hpx s THR 80 Cb 0.14 -3.63 0.28 0.00 -1.51 0.00 0.00 72.50 67.78 1hpx s THR 80 CO -0.06 0.44 2.12 1.55 -2.21 0.00 0.00 174.62 176.46 1hpx h PRO 81 N 4.26 0.11 -3.35 7.08 0.13 -1.98 -3.45 132.00 134.80 1hpx h PRO 81 Ca -0.51 -0.01 -0.14 0.00 -0.87 0.00 0.00 66.00 64.48 1hpx h PRO 81 Cb 1.21 -0.03 -0.20 0.00 0.13 0.00 0.00 31.00 32.11 1hpx h PRO 81 CO 0.64 0.07 -0.42 0.54 -0.23 0.00 0.00 178.00 178.60 1hpx s VAL 82 N -5.15 0.07 -0.12 1.56 0.11 -1.26 -5.12 120.40 110.49 1hpx s VAL 82 Ca -0.06 -0.61 -0.29 0.00 -2.93 0.00 0.00 61.98 58.09 1hpx s VAL 82 Cb 0.17 -0.49 -0.03 0.00 -1.53 0.00 0.00 36.38 34.50 1hpx s VAL 82 CO 0.69 -0.33 1.36 0.20 -3.33 0.00 0.00 175.10 173.69 1hpx s ASN 83 N -1.34 6.88 -0.17 3.54 0.01 -1.26 -4.75 114.94 117.84 1hpx s ASN 83 Ca -0.14 1.86 -0.03 0.00 -0.71 0.00 0.00 52.86 53.85 1hpx s ASN 83 Cb -0.07 -2.54 -0.02 0.00 0.41 0.00 0.00 41.25 39.04 1hpx s ASN 83 CO 0.02 -0.78 -0.07 -0.63 -1.51 0.00 0.00 177.10 174.13 1hpx s ILE 84 N 3.43 3.44 -0.28 0.60 1.01 -0.47 -0.28 121.20 128.64 1hpx s ILE 84 Ca 0.60 -0.50 -0.14 0.00 0.00 0.00 0.00 60.65 60.61 1hpx s ILE 84 Cb -0.25 -2.51 -0.03 0.00 0.01 0.00 0.00 42.46 39.67 1hpx s ILE 84 CO 0.20 0.48 0.34 -0.63 0.00 0.00 0.00 174.94 175.32 1hpx s ILE 85 N 0.78 5.20 0.39 2.92 -1.09 0.61 -2.13 121.20 127.87 1hpx s ILE 85 Ca -0.03 0.40 0.06 0.00 -2.23 0.00 0.00 60.65 58.85 1hpx s ILE 85 Cb -0.15 -3.69 0.06 0.00 -1.58 0.00 0.00 42.46 37.10 1hpx s ILE 85 CO 0.02 0.13 0.47 0.61 -1.23 0.00 0.00 174.94 174.93 1hpx n GLY 86 N 4.80 2.22 0.31 6.18 0.00 -1.24 -1.33 105.19 116.14 1hpx n GLY 86 Ca -0.10 -2.22 0.17 0.00 0.00 0.00 0.00 46.02 43.88 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 -0.22 1.61 3.08 -0.45 -1.01 114.38 117.39 1hpx h ARG 87 Ca -0.20 0.00 0.01 0.00 0.07 0.00 0.00 59.98 59.86 1hpx h ARG 87 Cb 0.86 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.90 1hpx h ARG 87 CO 0.30 0.00 0.15 -2.95 -1.07 0.00 0.00 179.97 176.40 1hpx h ASN 88 N 0.00 0.22 0.00 7.04 -1.07 -1.70 -2.49 115.58 117.59 1hpx h ASN 88 Ca 0.01 -0.01 -0.02 0.00 0.07 0.00 0.00 56.30 56.36 1hpx h ASN 88 Cb 0.07 -0.06 -0.00 0.00 -2.07 0.00 0.00 38.32 36.26 1hpx h ASN 88 CO -0.00 0.16 -1.78 0.18 0.07 0.00 0.00 177.43 176.06 1hpx n LEU 89 N -4.50 0.00 -0.06 6.14 4.77 -0.46 -4.38 117.00 118.51 1hpx n LEU 89 Ca 0.01 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 55.93 1hpx n LEU 89 Cb 0.10 0.03 0.13 0.00 -2.33 0.00 0.00 43.42 41.35 1hpx n LEU 89 CO 0.35 0.03 0.74 -0.07 -1.33 0.00 0.00 177.39 177.10 1hpx h LEU 90 N 0.00 0.68 -1.35 2.23 3.38 -1.23 -2.81 115.31 116.22 1hpx h LEU 90 Ca -0.03 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 57.69 1hpx h LEU 90 Cb 0.84 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 1hpx h LEU 90 CO 0.00 0.88 0.22 0.71 0.09 0.00 0.00 178.44 180.34 1hpx h THR 91 N 0.60 1.17 -0.49 0.22 1.35 -1.66 -0.56 112.91 113.54 1hpx h THR 91 Ca 0.09 -0.48 -0.09 0.00 -0.55 0.00 0.00 66.41 65.38 1hpx h THR 91 Cb 0.68 0.58 -0.02 0.00 -1.73 0.00 0.00 68.15 67.65 1hpx h THR 91 CO 0.05 0.19 -0.05 1.56 -0.25 0.00 0.00 175.52 177.02 1hpx h GLN 92 N 0.66 0.86 -0.15 4.72 4.20 -1.70 -1.71 115.11 121.99 1hpx h GLN 92 Ca 0.17 -0.27 0.00 0.00 0.06 0.00 0.00 58.65 58.61 1hpx h GLN 92 Cb 0.09 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.79 1hpx h GLN 92 CO -0.02 0.89 0.00 0.44 -0.67 0.00 0.00 178.83 179.47 1hpx n ILE 93 N -4.18 0.20 -3.01 2.54 -5.35 -1.12 -4.95 119.36 103.48 1hpx n ILE 93 Ca 0.02 -0.25 -0.12 0.00 -0.27 0.00 0.00 62.75 62.13 1hpx n ILE 93 Cb 0.34 0.14 0.05 0.00 -1.74 0.00 0.00 39.64 38.43 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 0.95 -0.03 3.85 3.28 0.00 -0.64 -5.00 105.19 107.59 1hpx n GLY 94 Ca 0.12 -0.11 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.09 0.82 -0.15 0.00 -4.23 -1.26 -4.69 115.64 105.04 1hpx s THR 96 Ca 0.22 -1.88 -0.12 0.00 -1.18 0.00 0.00 61.69 58.73 1hpx s THR 96 Cb -0.15 -1.62 -0.05 0.00 1.34 0.00 0.00 72.50 72.02 1hpx s THR 96 CO 0.11 -0.78 0.25 -0.76 -0.54 0.00 0.00 174.62 172.90 1hpx s LEU 97 N -2.92 4.28 -0.05 4.79 1.43 -1.26 -5.08 118.68 119.87 1hpx s LEU 97 Ca 0.11 0.49 0.02 0.00 -1.03 0.00 0.00 54.13 53.72 1hpx s LEU 97 Cb 0.03 -2.29 0.01 0.00 0.03 0.00 0.00 46.19 43.96 1hpx s LEU 97 CO -0.03 0.18 -0.11 0.20 0.23 0.00 0.00 176.35 176.82 1hpx s ASN 98 N 0.09 1.53 0.00 2.29 -0.87 -1.26 -5.30 114.94 111.43 1hpx s ASN 98 Ca 0.15 -0.25 0.00 0.00 -1.57 0.00 0.00 52.86 51.20 1hpx s ASN 98 Cb -0.13 -0.59 0.00 0.00 -0.02 0.00 0.00 41.25 40.51 1hpx s ASN 98 CO 0.04 0.05 0.00 2.22 -2.57 0.00 0.00 177.10 176.83