#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hps s GLN 2 N 0.00 1.38 -0.31 0.54 0.74 -1.26 -5.13 119.66 115.61 1hps s GLN 2 Ca 0.00 -0.35 -0.10 0.00 0.05 0.00 0.00 55.36 54.96 1hps s GLN 2 Cb 0.00 -1.75 -0.02 0.00 1.10 0.00 0.00 33.01 32.35 1hps s GLN 2 CO 0.00 -0.36 0.17 0.42 -0.55 0.00 0.00 175.29 174.97 1hps s ILE 3 N 1.70 4.83 0.36 -2.34 1.01 -1.26 -5.11 121.20 120.39 1hps s ILE 3 Ca 0.03 -0.29 -0.18 0.00 0.00 0.00 0.00 60.65 60.22 1hps s ILE 3 Cb -0.14 -3.44 -0.10 0.00 0.01 0.00 0.00 42.46 38.80 1hps s ILE 3 CO -0.08 0.09 0.82 0.42 0.00 0.00 0.00 174.94 176.19 1hps s THR 4 N 1.66 4.56 -0.72 2.92 -4.23 -1.26 -5.00 115.64 113.57 1hps s THR 4 Ca 0.05 1.17 0.06 0.00 -1.18 0.00 0.00 61.69 61.79 1hps s THR 4 Cb -0.17 -3.62 0.33 0.00 1.34 0.00 0.00 72.50 70.38 1hps s THR 4 CO 0.08 -0.21 1.01 0.18 -0.54 0.00 0.00 174.62 175.13 1hps n LEU 5 N -0.41 2.89 0.04 4.79 7.99 -1.26 -4.50 117.00 126.55 1hps n LEU 5 Ca 0.05 -1.46 0.03 0.00 -0.01 0.00 0.00 56.01 54.61 1hps n LEU 5 Cb 0.53 -0.57 0.16 0.00 -0.11 0.00 0.00 43.42 43.43 1hps n LEU 5 CO 0.40 0.40 0.59 0.79 -1.51 0.00 0.00 177.39 178.06 1hps n TRP 6 N 0.25 0.19 -3.83 -1.77 7.02 -1.26 -4.59 117.44 113.47 1hps n TRP 6 Ca 0.11 0.10 -0.09 0.00 -1.02 0.00 0.00 57.50 56.60 1hps n TRP 6 Cb 0.63 -0.66 -0.07 0.00 -2.42 0.00 0.00 31.31 28.79 1hps n TRP 6 CO 0.00 0.00 0.00 1.14 -2.02 0.00 0.00 177.69 176.81 1hps s GLN 7 N -3.14 0.92 0.01 -0.99 -2.07 -1.26 -5.13 119.66 107.99 1hps s GLN 7 Ca -0.00 -0.94 -0.38 0.00 -1.82 0.00 0.00 55.36 52.22 1hps s GLN 7 Cb 0.02 0.37 -0.17 0.00 -1.09 0.00 0.00 33.01 32.14 1hps s GLN 7 CO 0.06 -0.31 1.41 0.54 -1.32 0.00 0.00 175.29 175.66 1hps n ARG 8 N -0.11 1.10 -2.12 9.60 1.74 -1.26 -4.89 116.66 120.72 1hps n ARG 8 Ca -0.14 0.40 -0.33 0.00 -0.77 0.00 0.00 57.85 57.01 1hps n ARG 8 Cb 0.63 -2.04 -0.05 0.00 -1.02 0.00 0.00 32.46 29.98 1hps n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1hps n PRO 9 N 3.05 1.98 -3.39 5.56 -0.04 -1.26 -4.96 135.00 135.94 1hps n PRO 9 Ca 0.20 -2.62 -0.38 0.00 -0.04 0.00 0.00 63.50 60.66 1hps n PRO 9 Cb 0.17 -3.62 -0.06 0.00 -0.04 0.00 0.00 33.50 29.95 1hps n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1hps s LEU 10 N 8.76 4.50 0.08 1.53 1.43 -1.26 -1.75 118.68 131.97 1hps s LEU 10 Ca 0.64 1.11 -0.00 0.00 -1.03 0.00 0.00 54.13 54.85 1hps s LEU 10 Cb 0.02 -2.76 -0.04 0.00 0.03 0.00 0.00 46.19 43.43 1hps s LEU 10 CO 0.12 0.29 -0.01 0.54 0.23 0.00 0.00 176.35 177.52 1hps s VAL 11 N -1.11 0.28 -0.07 -1.59 0.11 0.68 -4.92 120.40 113.78 1hps s VAL 11 Ca 0.27 -1.86 -0.14 0.00 -2.93 0.00 0.00 61.98 57.32 1hps s VAL 11 Cb -0.18 -1.71 -0.05 0.00 -1.53 0.00 0.00 36.38 32.91 1hps s VAL 11 CO 0.16 -0.82 0.34 -0.89 -3.33 0.00 0.00 175.10 170.57 1hps s THR 12 N -3.89 5.20 0.15 5.04 2.01 -1.26 -0.63 115.64 122.25 1hps s THR 12 Ca 0.13 0.67 0.06 0.00 0.31 0.00 0.00 61.69 62.86 1hps s THR 12 Cb 0.07 -3.65 -0.04 0.00 0.01 0.00 0.00 72.50 68.89 1hps s THR 12 CO -0.05 0.51 -0.13 0.27 -0.69 0.00 0.00 174.62 174.52 1hps s ILE 13 N -0.48 1.36 -0.11 1.82 -4.36 0.13 -2.14 121.20 117.41 1hps s ILE 13 Ca 0.21 -1.92 -0.02 0.00 -0.26 0.00 0.00 60.65 58.66 1hps s ILE 13 Cb -0.15 -1.73 0.04 0.00 1.25 0.00 0.00 42.46 41.87 1hps s ILE 13 CO 0.09 -0.55 0.01 -0.75 0.24 0.00 0.00 174.94 173.98 1hps s LYS 14 N -3.19 0.67 -0.03 0.37 2.20 -0.32 -1.43 119.74 118.01 1hps s LYS 14 Ca 0.14 -0.08 0.02 0.00 -0.36 0.00 0.00 55.97 55.69 1hps s LYS 14 Cb -0.02 -1.37 0.01 0.00 -1.51 0.00 0.00 37.83 34.94 1hps s LYS 14 CO 0.03 -0.41 -0.06 0.42 -0.36 0.00 0.00 175.35 174.97 1hps s ILE 15 N 1.93 0.60 -1.41 5.43 1.09 -0.65 -1.30 121.20 126.89 1hps s ILE 15 Ca 0.03 -0.21 -0.01 0.00 -1.10 0.00 0.00 60.65 59.36 1hps s ILE 15 Cb -0.14 -0.58 0.00 0.00 -1.06 0.00 0.00 42.46 40.68 1hps s ILE 15 CO -0.06 0.22 0.39 0.61 -0.10 0.00 0.00 174.94 175.99 1hps n GLY 16 N 3.68 -0.24 2.65 6.18 0.00 -1.26 -0.99 105.19 115.21 1hps n GLY 16 Ca -0.22 0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1hps n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hps n GLY 17 N -2.04 0.30 3.37 -0.02 0.00 -1.26 -4.96 105.19 100.58 1hps n GLY 17 Ca -0.31 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.52 1hps n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1hps s GLN 18 N -0.88 1.40 -0.20 1.61 -0.21 -0.16 -5.15 119.66 116.07 1hps s GLN 18 Ca 0.00 -1.67 -0.05 0.00 0.02 0.00 0.00 55.36 53.66 1hps s GLN 18 Cb 0.00 -1.02 -0.02 0.00 1.00 0.00 0.00 33.01 32.97 1hps s GLN 18 CO 0.00 0.07 -0.00 -0.51 -2.12 0.00 0.00 175.29 172.73 1hps s LEU 19 N -3.35 3.23 0.17 2.90 1.02 -1.26 -1.63 118.68 119.76 1hps s LEU 19 Ca 0.26 -0.22 -0.01 0.00 0.02 0.00 0.00 54.13 54.18 1hps s LEU 19 Cb 0.02 -1.82 -0.04 0.00 0.02 0.00 0.00 46.19 44.37 1hps s LEU 19 CO 0.09 0.05 0.09 -0.54 0.02 0.00 0.00 176.35 176.06 1hps s LYS 20 N 1.08 1.09 -0.15 1.70 3.01 -0.51 -4.99 119.74 120.97 1hps s LYS 20 Ca 0.02 -1.55 -0.05 0.00 -1.01 0.00 0.00 55.97 53.38 1hps s LYS 20 Cb -0.14 0.21 -0.03 0.00 -1.01 0.00 0.00 37.83 36.85 1hps s LYS 20 CO 0.01 -0.32 0.02 -1.21 0.51 0.00 0.00 175.35 174.36 1hps s GLU 21 N -4.10 3.67 0.13 1.68 2.02 -1.26 -0.70 118.70 120.14 1hps s GLU 21 Ca 0.32 -0.40 0.04 0.00 0.02 0.00 0.00 54.97 54.94 1hps s GLU 21 Cb 0.07 -3.03 -0.04 0.00 0.10 0.00 0.00 34.13 31.22 1hps s GLU 21 CO 0.07 0.37 -0.09 0.00 0.02 0.00 0.00 175.26 175.63 1hps s ALA 22 N 0.06 1.29 -0.22 5.21 0.00 0.20 -4.57 121.76 123.74 1hps s ALA 22 Ca 0.03 -1.43 -0.08 0.00 0.00 0.00 0.00 51.96 50.48 1hps s ALA 22 Cb -0.13 0.08 -0.04 0.00 0.00 0.00 0.00 23.12 23.03 1hps s ALA 22 CO 0.02 -0.13 0.09 -1.17 0.00 0.00 0.00 175.76 174.57 1hps s LEU 23 N -3.09 3.78 -0.06 0.00 2.96 -0.29 -0.23 118.68 121.74 1hps s LEU 23 Ca 0.15 -0.01 -0.30 0.00 -0.22 0.00 0.00 54.13 53.75 1hps s LEU 23 Cb 0.03 -1.99 -0.04 0.00 0.50 0.00 0.00 46.19 44.69 1hps s LEU 23 CO -0.01 0.07 1.29 -0.76 -1.32 0.00 0.00 176.35 175.63 1hps s LEU 24 N 0.98 4.27 -0.25 -0.68 1.02 -0.72 -0.42 118.68 122.89 1hps s LEU 24 Ca 0.05 1.89 -0.01 0.00 0.02 0.00 0.00 54.13 56.08 1hps s LEU 24 Cb -0.14 -3.55 0.08 0.00 0.02 0.00 0.00 46.19 42.59 1hps s LEU 24 CO 0.03 -0.68 0.04 -0.62 0.02 0.00 0.00 176.35 175.15 1hps s ASP 25 N 1.79 3.54 0.49 2.29 -1.08 -0.06 -4.80 116.67 118.84 1hps s ASP 25 Ca 0.59 -1.22 0.27 0.00 -0.52 0.00 0.00 52.55 51.67 1hps s ASP 25 Cb -0.26 -0.82 1.18 0.00 -1.46 0.00 0.00 42.92 41.56 1hps s ASP 25 CO 0.22 -0.34 1.94 0.71 0.52 0.00 0.00 175.17 178.22 1hps h THR 26 N 6.54 0.47 -0.33 1.71 1.35 -1.94 -1.64 112.91 119.07 1hps h THR 26 Ca -0.15 -0.84 0.00 0.00 -0.55 0.00 0.00 66.41 64.87 1hps h THR 26 Cb 1.07 1.58 0.00 0.00 -1.73 0.00 0.00 68.15 69.07 1hps h THR 26 CO 0.40 0.16 0.00 0.61 -0.25 0.00 0.00 175.52 176.44 1hps n GLY 27 N -0.15 0.55 3.31 5.82 0.00 -1.26 -4.77 105.19 108.69 1hps n GLY 27 Ca -0.00 -0.36 -0.33 0.00 0.00 0.00 0.00 46.02 45.32 1hps n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hps s ALA 28 N -1.56 2.62 0.16 4.61 0.00 -0.62 -4.97 121.76 122.01 1hps s ALA 28 Ca 0.22 -1.01 -0.06 0.00 0.00 0.00 0.00 51.96 51.11 1hps s ALA 28 Cb 0.12 -1.33 0.01 0.00 0.00 0.00 0.00 23.12 21.92 1hps s ALA 28 CO 0.15 -0.01 1.43 -0.44 0.00 0.00 0.00 175.76 176.89 1hps h ASP 29 N 7.25 0.72 -1.71 0.00 3.32 -1.86 0.17 116.42 124.32 1hps h ASP 29 Ca -0.32 -0.42 -0.62 0.00 0.02 0.00 0.00 57.03 55.69 1hps h ASP 29 Cb 1.19 -0.21 -0.13 0.00 0.22 0.00 0.00 39.33 40.40 1hps h ASP 29 CO 0.58 1.17 -0.59 -1.81 -1.72 0.00 0.00 179.24 176.87 1hps s ASP 30 N -6.97 3.72 -0.26 6.45 1.01 -1.26 -2.09 116.67 117.27 1hps s ASP 30 Ca -0.08 -1.41 -0.13 0.00 0.71 0.00 0.00 52.55 51.64 1hps s ASP 30 Cb 0.10 -0.23 -0.05 0.00 1.01 0.00 0.00 42.92 43.75 1hps s ASP 30 CO 0.86 -0.53 0.26 -0.89 0.21 0.00 0.00 175.17 175.08 1hps s THR 31 N -2.81 5.27 -0.12 -1.27 2.01 -1.26 -3.10 115.64 114.36 1hps s THR 31 Ca 0.31 0.34 -0.01 0.00 0.31 0.00 0.00 61.69 62.65 1hps s THR 31 Cb 0.09 -3.59 0.03 0.00 0.01 0.00 0.00 72.50 69.04 1hps s THR 31 CO 0.16 0.25 -0.05 0.54 -0.69 0.00 0.00 174.62 174.83 1hps s VAL 32 N 1.64 0.85 0.05 3.82 0.11 -0.93 -1.51 120.40 124.43 1hps s VAL 32 Ca 0.11 -0.26 0.01 0.00 -2.93 0.00 0.00 61.98 58.91 1hps s VAL 32 Cb -0.15 -0.95 -0.04 0.00 -1.53 0.00 0.00 36.38 33.70 1hps s VAL 32 CO 0.09 0.27 0.12 -0.76 -3.33 0.00 0.00 175.10 171.49 1hps s LEU 33 N 1.77 4.02 1.16 2.54 1.02 -0.20 -0.48 118.68 128.51 1hps s LEU 33 Ca 0.04 0.12 -0.12 0.00 0.02 0.00 0.00 54.13 54.19 1hps s LEU 33 Cb -0.13 -2.59 0.28 0.00 0.02 0.00 0.00 46.19 43.77 1hps s LEU 33 CO -0.07 0.20 1.04 -1.61 0.02 0.00 0.00 176.35 175.92 1hps s GLU 34 N -2.27 -0.88 -0.31 1.70 2.02 -1.26 -1.49 118.70 116.21 1hps s GLU 34 Ca 0.30 0.96 -0.30 0.00 0.02 0.00 0.00 54.97 55.95 1hps s GLU 34 Cb -0.12 -1.55 -0.07 0.00 0.10 0.00 0.00 34.13 32.48 1hps s GLU 34 CO 0.22 -3.73 2.26 -1.91 0.02 0.00 0.00 175.26 172.12 1hps n GLU 35 N -4.94 1.55 -4.22 1.61 4.07 -1.03 -4.24 120.64 113.45 1hps n GLU 35 Ca 0.04 0.37 -0.12 0.00 -0.06 0.00 0.00 57.16 57.39 1hps n GLU 35 Cb 0.54 -3.04 -0.10 0.00 -0.06 0.00 0.00 31.44 28.78 1hps n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1hps s MET 36 N 6.70 1.03 -0.86 5.31 0.23 -1.26 -5.03 119.30 125.42 1hps s MET 36 Ca 1.04 -1.48 -0.25 0.00 -1.03 0.00 0.00 55.69 53.97 1hps s MET 36 Cb -0.46 -0.21 -0.19 0.00 -1.53 0.00 0.00 34.83 32.44 1hps s MET 36 CO 0.38 -0.11 1.91 0.43 -2.03 0.00 0.00 175.02 175.59 1hps n SER 37 N -0.18 2.25 -4.00 -1.18 7.64 -1.26 -4.88 113.62 112.00 1hps n SER 37 Ca -0.08 -2.62 -0.23 0.00 1.01 0.00 0.00 58.87 56.95 1hps n SER 37 Cb 0.63 -1.36 -0.16 0.00 -1.01 0.00 0.00 64.21 62.30 1hps n SER 37 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1hps s LEU 38 N 7.72 1.64 0.04 -3.43 2.96 -1.26 -4.93 118.68 121.41 1hps s LEU 38 Ca 0.68 -0.25 0.02 0.00 -0.22 0.00 0.00 54.13 54.36 1hps s LEU 38 Cb 0.05 -0.71 -0.04 0.00 0.50 0.00 0.00 46.19 46.00 1hps s LEU 38 CO 0.18 0.03 0.04 -2.16 -1.32 0.00 0.00 176.35 173.12 1hps s PRO 39 N 0.56 2.84 0.00 0.98 0.04 -1.26 -5.08 135.00 133.09 1hps s PRO 39 Ca -0.11 -0.64 0.00 0.00 0.04 0.00 0.00 61.00 60.29 1hps s PRO 39 Cb -0.14 -2.71 0.00 0.00 0.04 0.00 0.00 34.50 31.69 1hps s PRO 39 CO 0.02 0.60 0.00 0.41 0.04 0.00 0.00 177.00 178.07 1hps n GLY 40 N 0.93 0.94 3.89 0.56 0.00 -1.26 -5.08 105.19 105.17 1hps n GLY 40 Ca -0.12 -1.99 -0.29 0.00 0.00 0.00 0.00 46.02 43.62 1hps n GLY 40 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1hps s ARG 41 N -1.35 3.64 0.04 1.61 1.70 -1.26 -5.07 118.95 118.26 1hps s ARG 41 Ca 0.00 0.37 -0.06 0.00 -0.47 0.00 0.00 55.73 55.57 1hps s ARG 41 Cb 0.00 -2.35 -0.01 0.00 -0.57 0.00 0.00 34.95 32.02 1hps s ARG 41 CO 0.00 -0.18 0.11 1.67 -1.08 0.00 0.00 175.30 175.82 1hps s TRP 42 N -2.65 0.17 -0.05 5.89 1.48 -1.26 -4.64 118.94 117.88 1hps s TRP 42 Ca 0.50 -0.45 0.06 0.00 -1.06 0.00 0.00 56.10 55.14 1hps s TRP 42 Cb -0.10 -0.12 -0.02 0.00 -1.16 0.00 0.00 33.47 32.07 1hps s TRP 42 CO 0.41 -0.37 -0.22 0.15 -4.06 0.00 0.00 176.95 172.85 1hps s LYS 43 N -2.54 2.51 0.14 3.25 1.02 -0.97 -4.87 119.74 118.28 1hps s LYS 43 Ca -0.05 -0.85 -0.33 0.00 0.02 0.00 0.00 55.97 54.75 1hps s LYS 43 Cb -0.01 -2.21 -0.17 0.00 -0.52 0.00 0.00 37.83 34.91 1hps s LYS 43 CO -0.04 0.46 0.93 -2.30 -0.92 0.00 0.00 175.35 173.47 1hps n PRO 44 N 2.75 0.48 -3.82 -1.68 -0.02 -1.26 -0.67 135.00 130.78 1hps n PRO 44 Ca -0.17 0.17 -0.11 0.00 -2.02 0.00 0.00 63.50 61.37 1hps n PRO 44 Cb 0.52 -1.50 -0.08 0.00 -0.02 0.00 0.00 33.50 32.41 1hps n PRO 44 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1hps s LYS 45 N -0.53 0.72 0.09 -0.52 2.20 0.01 -4.83 119.74 116.88 1hps s LYS 45 Ca 0.75 -0.56 0.06 0.00 -0.36 0.00 0.00 55.97 55.86 1hps s LYS 45 Cb -0.99 0.30 -0.03 0.00 -1.51 0.00 0.00 37.83 35.60 1hps s LYS 45 CO 0.55 -0.21 -0.17 -1.64 -0.36 0.00 0.00 175.35 173.52 1hps s MET 46 N -2.46 0.98 0.03 4.03 -1.94 -1.26 -0.75 119.30 117.93 1hps s MET 46 Ca -0.06 -1.09 0.00 0.00 -1.71 0.00 0.00 55.69 52.84 1hps s MET 46 Cb -0.01 -1.06 -0.03 0.00 2.01 0.00 0.00 34.83 35.74 1hps s MET 46 CO -0.03 0.24 -0.04 0.96 -0.01 0.00 0.00 175.02 176.14 1hps s ILE 47 N -1.38 0.22 -0.13 2.53 -4.36 -0.09 -4.98 121.20 113.00 1hps s ILE 47 Ca 0.03 -1.17 -0.05 0.00 -0.26 0.00 0.00 60.65 59.20 1hps s ILE 47 Cb -0.09 -0.64 -0.04 0.00 1.25 0.00 0.00 42.46 42.94 1hps s ILE 47 CO 0.03 -0.61 0.06 -0.83 0.24 0.00 0.00 174.94 173.83 1hps s GLY 48 N -1.86 1.94 0.00 6.27 0.00 -1.26 -1.01 107.32 111.40 1hps s GLY 48 Ca -0.09 -0.74 0.00 0.00 0.00 0.00 0.00 44.72 43.89 1hps s GLY 48 CO -0.03 -0.26 0.00 0.61 0.00 0.00 0.00 173.10 173.42 1hps n GLY 49 N 2.69 4.25 0.30 0.20 0.00 -0.21 -4.99 105.19 107.44 1hps n GLY 49 Ca -0.18 -1.92 -0.08 0.00 0.00 0.00 0.00 46.02 43.84 1hps n GLY 49 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 1hps h ILE 50 N 0.94 1.26 0.00 -0.61 -0.00 -2.02 -2.96 117.51 114.13 1hps h ILE 50 Ca 0.00 -1.01 0.00 0.00 -0.00 0.00 0.00 64.86 63.85 1hps h ILE 50 Cb 0.00 0.67 0.00 0.00 -0.00 0.00 0.00 36.82 37.49 1hps h ILE 50 CO 0.00 0.38 0.00 0.61 -0.00 0.00 0.00 178.15 179.14 1hps n GLY 51 N -0.58 -1.24 0.00 0.16 0.00 -1.26 -5.01 105.19 97.26 1hps n GLY 51 Ca 0.04 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1hps n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hps n GLY 52 N 1.13 0.38 2.88 -0.02 0.00 -1.12 -5.08 105.19 103.36 1hps n GLY 52 Ca 0.13 -1.30 -0.24 0.00 0.00 0.00 0.00 46.02 44.61 1hps n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1hps s PHE 53 N -1.18 1.06 0.24 1.61 0.40 -1.26 -1.05 117.98 117.81 1hps s PHE 53 Ca 0.00 -0.41 0.07 0.00 -0.60 0.00 0.00 56.93 55.99 1hps s PHE 53 Cb 0.00 -0.94 -0.04 0.00 0.51 0.00 0.00 43.02 42.56 1hps s PHE 53 CO 0.00 -0.34 0.15 0.96 0.70 0.00 0.00 175.22 176.69 1hps s ILE 54 N 1.41 4.29 -0.15 0.64 -4.36 -0.18 -4.91 121.20 117.94 1hps s ILE 54 Ca -0.02 -1.43 -0.06 0.00 -0.26 0.00 0.00 60.65 58.87 1hps s ILE 54 Cb -0.13 -3.29 -0.04 0.00 1.25 0.00 0.00 42.46 40.24 1hps s ILE 54 CO -0.03 -0.31 0.07 -0.54 0.24 0.00 0.00 174.94 174.36 1hps s LYS 55 N -3.69 3.64 0.14 0.37 -0.14 -1.26 -0.92 119.74 117.88 1hps s LYS 55 Ca 0.32 -0.31 0.01 0.00 -1.36 0.00 0.00 55.97 54.63 1hps s LYS 55 Cb -0.08 -3.12 -0.04 0.00 -1.68 0.00 0.00 37.83 32.91 1hps s LYS 55 CO 0.24 0.49 0.01 0.14 -0.76 0.00 0.00 175.35 175.47 1hps s VAL 56 N -0.23 0.43 -0.20 3.17 -7.23 0.07 -4.64 120.40 111.77 1hps s VAL 56 Ca 0.08 -1.93 -0.04 0.00 -1.81 0.00 0.00 61.98 58.28 1hps s VAL 56 Cb -0.12 -2.00 -0.02 0.00 0.56 0.00 0.00 36.38 34.80 1hps s VAL 56 CO 0.01 -0.55 -0.04 0.00 -0.31 0.00 0.00 175.10 174.21 1hps s ARG 57 N -3.96 3.49 -0.07 4.82 1.70 -0.19 -0.81 118.95 123.93 1hps s ARG 57 Ca 0.21 -0.59 -0.27 0.00 -0.47 0.00 0.00 55.73 54.62 1hps s ARG 57 Cb 0.07 -2.99 -0.03 0.00 -0.57 0.00 0.00 34.95 31.43 1hps s ARG 57 CO 0.01 -0.04 0.86 -1.14 -1.08 0.00 0.00 175.30 173.91 1hps s GLN 58 N 1.09 4.45 -0.05 3.89 0.74 0.16 -0.57 119.66 129.37 1hps s GLN 58 Ca 0.02 1.17 0.05 0.00 0.05 0.00 0.00 55.36 56.64 1hps s GLN 58 Cb -0.15 -3.49 -0.01 0.00 1.10 0.00 0.00 33.01 30.47 1hps s GLN 58 CO 0.00 -0.10 -0.22 0.71 -0.55 0.00 0.00 175.29 175.14 1hps s TYR 59 N 1.28 2.15 0.36 1.67 1.51 0.46 -2.28 117.35 122.50 1hps s TYR 59 Ca 0.44 -0.64 0.08 0.00 -1.01 0.00 0.00 57.07 55.95 1hps s TYR 59 Cb -0.19 -1.42 -0.04 0.00 -0.11 0.00 0.00 41.96 40.20 1hps s TYR 59 CO 0.21 -0.20 0.17 -0.51 -1.11 0.00 0.00 175.55 174.10 1hps s ASP 60 N -0.08 4.67 -1.45 2.29 1.11 -1.26 -1.30 116.67 120.66 1hps s ASP 60 Ca -0.04 -0.81 0.00 0.00 0.18 0.00 0.00 52.55 51.88 1hps s ASP 60 Cb -0.13 -0.68 0.00 0.00 1.07 0.00 0.00 42.92 43.18 1hps s ASP 60 CO 0.03 -0.36 0.00 0.00 1.18 0.00 0.00 175.17 176.02 1hps n GLN 61 N -1.19 -0.95 -2.98 8.23 1.13 -1.25 -4.88 117.38 115.49 1hps n GLN 61 Ca -0.02 0.98 -0.40 0.00 -1.94 0.00 0.00 57.00 55.62 1hps n GLN 61 Cb 0.62 -5.06 -0.05 0.00 0.11 0.00 0.00 30.24 25.86 1hps n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1hps s ILE 62 N -2.51 4.78 -0.07 5.09 -1.09 -0.14 -4.73 121.20 122.53 1hps s ILE 62 Ca 0.00 1.62 -0.20 0.00 -2.23 0.00 0.00 60.65 59.83 1hps s ILE 62 Cb 0.00 -4.11 -0.04 0.00 -1.58 0.00 0.00 42.46 36.73 1hps s ILE 62 CO 0.00 0.34 0.58 -0.22 -1.23 0.00 0.00 174.94 174.41 1hps s LEU 63 N 0.09 4.33 -0.00 2.97 2.96 -1.26 -0.62 118.68 127.14 1hps s LEU 63 Ca 0.39 1.03 0.00 0.00 -0.22 0.00 0.00 54.13 55.33 1hps s LEU 63 Cb -0.20 -2.88 0.01 0.00 0.50 0.00 0.00 46.19 43.62 1hps s LEU 63 CO 0.22 -0.01 0.01 -0.63 -1.32 0.00 0.00 176.35 174.62 1hps s ILE 64 N 0.45 0.00 -0.43 6.68 1.01 -0.33 -4.42 121.20 124.15 1hps s ILE 64 Ca 0.31 0.04 -0.16 0.00 0.00 0.00 0.00 60.65 60.85 1hps s ILE 64 Cb -0.17 -0.04 0.04 0.00 0.01 0.00 0.00 42.46 42.30 1hps s ILE 64 CO 0.15 0.03 0.36 -0.70 0.00 0.00 0.00 174.94 174.77 1hps s GLU 65 N 0.25 2.99 -0.20 2.79 2.56 -0.42 -0.87 118.70 125.80 1hps s GLU 65 Ca -0.02 -1.07 -0.03 0.00 0.00 0.00 0.00 54.97 53.85 1hps s GLU 65 Cb -0.03 -4.02 -0.01 0.00 2.00 0.00 0.00 34.13 32.06 1hps s GLU 65 CO -0.01 -0.86 -0.06 0.42 -0.56 0.00 0.00 175.26 174.20 1hps s ILE 66 N 1.77 3.37 -1.42 -3.70 1.01 0.19 -1.17 121.20 121.24 1hps s ILE 66 Ca 0.06 -0.51 -0.04 0.00 0.00 0.00 0.00 60.65 60.16 1hps s ILE 66 Cb -0.20 -2.51 0.00 0.00 0.01 0.00 0.00 42.46 39.76 1hps s ILE 66 CO 0.10 0.45 0.33 0.00 0.00 0.00 0.00 174.94 175.81 1hps n GLY 68 N -2.17 0.16 3.11 0.00 0.00 -1.26 -4.89 105.19 100.14 1hps n GLY 68 Ca -0.29 -0.01 -0.33 0.00 0.00 0.00 0.00 46.02 45.40 1hps n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1hps s HIS 69 N -1.19 3.08 0.09 1.61 3.76 0.18 -5.05 115.29 117.77 1hps s HIS 69 Ca 0.00 -1.96 -0.12 0.00 -0.15 0.00 0.00 55.06 52.83 1hps s HIS 69 Cb 0.00 -1.96 -0.06 0.00 1.11 0.00 0.00 32.58 31.67 1hps s HIS 69 CO 0.00 -0.83 0.46 -1.59 -0.85 0.00 0.00 174.74 171.93 1hps s LYS 70 N 1.21 3.87 0.15 1.40 -2.85 -1.26 0.55 119.74 122.82 1hps s LYS 70 Ca -0.03 0.34 -0.03 0.00 -1.00 0.00 0.00 55.97 55.25 1hps s LYS 70 Cb -0.17 -3.02 -0.03 0.00 -2.06 0.00 0.00 37.83 32.54 1hps s LYS 70 CO -0.07 0.56 0.13 0.00 0.10 0.00 0.00 175.35 176.07 1hps s ALA 71 N -1.36 0.70 -0.00 0.59 0.00 -0.05 -4.95 121.76 116.69 1hps s ALA 71 Ca 0.33 -1.37 0.03 0.00 0.00 0.00 0.00 51.96 50.95 1hps s ALA 71 Cb -0.15 0.96 -0.01 0.00 0.00 0.00 0.00 23.12 23.92 1hps s ALA 71 CO 0.18 -0.55 -0.11 0.42 0.00 0.00 0.00 175.76 175.70 1hps s ILE 72 N -4.05 0.84 -2.24 0.00 1.01 -1.26 -1.19 121.20 114.31 1hps s ILE 72 Ca 0.25 -0.53 0.00 0.00 0.00 0.00 0.00 60.65 60.37 1hps s ILE 72 Cb 0.06 -0.72 0.00 0.00 0.01 0.00 0.00 42.46 41.81 1hps s ILE 72 CO 0.03 0.18 0.00 0.61 0.00 0.00 0.00 174.94 175.77 1hps n GLY 73 N 2.67 -1.47 3.71 6.18 0.00 0.21 -4.92 105.19 111.56 1hps n GLY 73 Ca -0.14 -1.03 -0.42 0.00 0.00 0.00 0.00 46.02 44.42 1hps n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1hps s THR 74 N -2.74 3.16 -0.05 2.61 2.01 -1.26 -0.97 115.64 118.41 1hps s THR 74 Ca 0.00 0.77 0.03 0.00 0.31 0.00 0.00 61.69 62.80 1hps s THR 74 Cb 0.00 -3.49 0.00 0.00 0.01 0.00 0.00 72.50 69.02 1hps s THR 74 CO 0.00 0.04 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.14 1hps s VAL 75 N 1.58 1.23 -0.17 3.82 1.01 -0.42 -4.56 120.40 122.89 1hps s VAL 75 Ca 0.67 -0.58 -0.02 0.00 0.00 0.00 0.00 61.98 62.05 1hps s VAL 75 Cb -0.38 -1.08 -0.01 0.00 0.00 0.00 0.00 36.38 34.90 1hps s VAL 75 CO 0.30 0.37 -0.08 -0.76 0.00 0.00 0.00 175.10 174.93 1hps s LEU 76 N 0.31 2.90 -0.15 3.92 1.43 -0.57 -0.40 118.68 126.12 1hps s LEU 76 Ca -0.08 -0.31 -0.03 0.00 -1.03 0.00 0.00 54.13 52.68 1hps s LEU 76 Cb -0.13 -1.70 -0.02 0.00 0.03 0.00 0.00 46.19 44.37 1hps s LEU 76 CO 0.03 0.09 -0.07 -0.69 0.23 0.00 0.00 176.35 175.94 1hps s VAL 77 N 0.80 3.63 -0.39 -1.59 1.01 0.26 -1.03 120.40 123.08 1hps s VAL 77 Ca -0.03 -0.45 0.00 0.00 0.00 0.00 0.00 61.98 61.50 1hps s VAL 77 Cb -0.15 -2.57 0.00 0.00 0.00 0.00 0.00 36.38 33.66 1hps s VAL 77 CO 0.01 0.50 0.00 0.61 0.00 0.00 0.00 175.10 176.23 1hps n GLY 78 N 3.51 -0.71 2.04 4.51 0.00 -0.56 -1.02 105.19 112.97 1hps n GLY 78 Ca -0.18 -0.41 -0.14 0.00 0.00 0.00 0.00 46.02 45.29 1hps n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1hps n PRO 79 N 0.00 1.93 -2.80 1.61 -0.04 -1.26 -2.45 135.00 132.00 1hps n PRO 79 Ca 0.00 -1.25 -0.38 0.00 -0.04 0.00 0.00 63.50 61.83 1hps n PRO 79 Cb 0.00 -1.85 -0.06 0.00 -0.04 0.00 0.00 33.50 31.55 1hps n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1hps s THR 80 N -0.30 4.20 0.13 0.52 -1.32 -1.26 -5.00 115.64 112.60 1hps s THR 80 Ca 0.51 1.86 -0.23 0.00 -1.21 0.00 0.00 61.69 62.62 1hps s THR 80 Cb 0.28 -4.08 -0.02 0.00 -1.51 0.00 0.00 72.50 67.16 1hps s THR 80 CO -0.06 0.24 1.65 -0.65 -2.21 0.00 0.00 174.62 173.60 1hps h PRO 81 N 3.46 -0.24 -5.55 7.08 0.11 -1.98 -3.44 132.00 131.43 1hps h PRO 81 Ca -0.46 0.02 -0.49 0.00 0.11 0.00 0.00 66.00 65.18 1hps h PRO 81 Cb 1.19 0.06 -0.14 0.00 0.11 0.00 0.00 31.00 32.22 1hps h PRO 81 CO 0.66 -0.16 -0.69 0.14 -0.21 0.00 0.00 178.00 177.73 1hps s VAL 82 N -6.12 1.70 0.01 3.15 -7.23 -1.26 -5.03 120.40 105.63 1hps s VAL 82 Ca -0.15 -2.16 -0.30 0.00 -1.81 0.00 0.00 61.98 57.56 1hps s VAL 82 Cb 0.10 -2.34 -0.04 0.00 0.56 0.00 0.00 36.38 34.66 1hps s VAL 82 CO 0.67 -0.38 1.11 0.20 -0.31 0.00 0.00 175.10 176.40 1hps s ASN 83 N -3.41 7.18 -0.04 4.85 0.01 -1.26 -4.68 114.94 117.59 1hps s ASN 83 Ca 0.28 1.83 0.06 0.00 -0.71 0.00 0.00 52.86 54.32 1hps s ASN 83 Cb 0.02 -2.57 -0.02 0.00 0.41 0.00 0.00 41.25 39.09 1hps s ASN 83 CO 0.11 -0.42 -0.22 -0.63 -1.51 0.00 0.00 177.10 174.43 1hps s ILE 84 N 1.29 2.43 -0.29 0.60 -1.09 0.37 -1.14 121.20 123.36 1hps s ILE 84 Ca 0.55 -0.96 -0.01 0.00 -2.23 0.00 0.00 60.65 58.01 1hps s ILE 84 Cb -0.25 -1.89 0.05 0.00 -1.58 0.00 0.00 42.46 38.79 1hps s ILE 84 CO 0.27 0.58 -0.03 -0.63 -1.23 0.00 0.00 174.94 173.90 1hps s ILE 85 N -0.59 2.78 0.82 2.92 -1.09 0.45 -2.18 121.20 124.30 1hps s ILE 85 Ca 0.09 -1.46 -0.08 0.00 -2.23 0.00 0.00 60.65 56.98 1hps s ILE 85 Cb -0.11 -2.61 0.15 0.00 -1.58 0.00 0.00 42.46 38.32 1hps s ILE 85 CO 0.00 -0.09 1.13 -0.83 -1.23 0.00 0.00 174.94 173.92 1hps s GLY 86 N 1.22 1.76 0.58 6.18 0.00 -1.18 -0.88 107.32 115.00 1hps s GLY 86 Ca -0.06 -1.43 0.33 0.00 0.00 0.00 0.00 44.72 43.57 1hps s GLY 86 CO -0.02 -0.79 2.19 3.21 0.00 0.00 0.00 173.10 177.69 1hps h ARG 87 N -1.00 0.00 0.00 2.90 3.08 -0.52 -1.21 114.38 117.62 1hps h ARG 87 Ca -0.41 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 59.59 1hps h ARG 87 Cb 1.26 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.30 1hps h ARG 87 CO 0.41 0.05 -0.25 -2.95 -1.07 0.00 0.00 179.97 176.16 1hps h ASN 88 N 0.00 0.00 0.00 7.04 -1.07 -1.68 -2.72 115.58 117.15 1hps h ASN 88 Ca -0.00 0.00 -0.15 0.00 0.07 0.00 0.00 56.30 56.22 1hps h ASN 88 Cb 0.19 0.00 -0.03 0.00 -2.07 0.00 0.00 38.32 36.41 1hps h ASN 88 CO 0.01 0.25 -1.93 0.18 0.07 0.00 0.00 177.43 176.01 1hps n LEU 89 N -3.84 0.00 -0.21 6.14 4.77 -0.59 -4.44 117.00 118.82 1hps n LEU 89 Ca -0.02 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.88 1hps n LEU 89 Cb 0.34 0.20 0.02 0.00 -2.33 0.00 0.00 43.42 41.65 1hps n LEU 89 CO 0.35 0.20 0.90 -0.07 -1.33 0.00 0.00 177.39 177.44 1hps h LEU 90 N 0.00 0.91 -1.13 2.23 3.38 -1.21 -1.51 115.31 117.98 1hps h LEU 90 Ca -0.22 -0.24 -0.02 0.00 0.09 0.00 0.00 57.88 57.49 1hps h LEU 90 Cb 1.38 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.86 1hps h LEU 90 CO 0.01 0.91 0.36 0.71 0.09 0.00 0.00 178.44 180.52 1hps h THR 91 N 0.86 1.21 0.00 0.22 1.35 -1.72 -0.21 112.91 114.62 1hps h THR 91 Ca 0.18 -0.56 -0.02 0.00 -0.55 0.00 0.00 66.41 65.46 1hps h THR 91 Cb 0.37 0.30 -0.00 0.00 -1.73 0.00 0.00 68.15 67.09 1hps h THR 91 CO 0.00 0.24 -0.12 1.56 -0.25 0.00 0.00 175.52 176.96 1hps h GLN 92 N 0.97 0.00 -0.58 4.72 4.20 -1.50 -1.30 115.11 121.62 1hps h GLN 92 Ca 0.24 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.95 1hps h GLN 92 Cb 0.06 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.84 1hps h GLN 92 CO -0.04 0.12 0.00 0.44 -0.67 0.00 0.00 178.83 178.68 1hps n ILE 93 N -4.10 0.76 -2.50 2.54 -5.35 -0.89 -4.93 119.36 104.90 1hps n ILE 93 Ca -0.02 -0.83 -0.01 0.00 -0.27 0.00 0.00 62.75 61.62 1hps n ILE 93 Cb 0.20 0.56 0.00 0.00 -1.74 0.00 0.00 39.64 38.67 1hps n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1hps n GLY 94 N 1.52 0.83 3.78 3.28 0.00 -0.49 -5.03 105.19 109.08 1hps n GLY 94 Ca 0.21 -0.61 -0.39 0.00 0.00 0.00 0.00 46.02 45.23 1hps n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hps s THR 96 N -0.74 0.06 0.05 0.00 -4.23 -1.26 -4.72 115.64 104.80 1hps s THR 96 Ca 0.33 -0.51 -0.04 0.00 -1.18 0.00 0.00 61.69 60.29 1hps s THR 96 Cb -0.20 -0.19 -0.05 0.00 1.34 0.00 0.00 72.50 73.40 1hps s THR 96 CO 0.21 -0.28 0.27 -0.22 -0.54 0.00 0.00 174.62 174.06 1hps s LEU 97 N -0.84 4.34 0.01 4.79 2.96 -1.26 -5.10 118.68 123.58 1hps s LEU 97 Ca -0.09 0.47 -0.00 0.00 -0.22 0.00 0.00 54.13 54.28 1hps s LEU 97 Cb -0.06 -2.90 -0.01 0.00 0.50 0.00 0.00 46.19 43.73 1hps s LEU 97 CO -0.00 0.18 -0.00 0.20 -1.32 0.00 0.00 176.35 175.41 1hps s ASN 98 N -2.12 0.09 0.00 3.68 0.01 -1.26 -5.29 114.94 110.06 1hps s ASN 98 Ca 0.33 -0.20 0.00 0.00 -0.71 0.00 0.00 52.86 52.28 1hps s ASN 98 Cb -0.13 0.06 0.00 0.00 0.41 0.00 0.00 41.25 41.59 1hps s ASN 98 CO 0.22 -0.14 0.00 2.22 -1.51 0.00 0.00 177.10 177.89