#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 3.06 -0.23 0.54 1.11 -1.26 -5.06 119.66 117.82 1hps s GLN 2 Ca 0.00 -1.07 -0.09 0.00 0.01 0.00 0.00 55.36 54.21 1hps s GLN 2 Cb 0.00 -4.10 -0.04 0.00 -1.01 0.00 0.00 33.01 27.86 1hps s GLN 2 CO 0.00 -1.09 0.11 0.42 0.01 0.00 0.00 175.29 174.74 1hps s ILE 3 N 2.15 4.94 0.74 1.08 1.01 -1.26 -5.09 121.20 124.77 1hps s ILE 3 Ca 0.10 0.03 -0.05 0.00 0.00 0.00 0.00 60.65 60.74 1hps s ILE 3 Cb -0.21 -3.29 0.11 0.00 0.01 0.00 0.00 42.46 39.08 1hps s ILE 3 CO 0.10 0.36 1.03 0.42 0.00 0.00 0.00 174.94 176.85 1hps s THR 4 N 1.10 2.21 -0.17 2.92 -4.23 -1.26 -5.04 115.64 111.17 1hps s THR 4 Ca 0.06 -0.42 0.17 0.00 -1.18 0.00 0.00 61.69 60.31 1hps s THR 4 Cb -0.14 -2.79 0.40 0.00 1.34 0.00 0.00 72.50 71.32 1hps s THR 4 CO 0.04 0.00 1.28 0.18 -0.54 0.00 0.00 174.62 175.58 1hps n LEU 5 N -2.96 3.07 0.24 4.79 4.77 -1.26 -4.57 117.00 121.08 1hps n LEU 5 Ca 0.13 -3.21 0.17 0.00 -0.03 0.00 0.00 56.01 53.07 1hps n LEU 5 Cb 0.60 -0.50 0.74 0.00 -2.33 0.00 0.00 43.42 41.94 1hps n LEU 5 CO 0.46 0.81 0.99 -0.50 -1.33 0.00 0.00 177.39 177.81 1hps h TRP 6 N 0.79 0.00 -2.92 -1.77 4.06 -2.06 -3.42 115.95 110.64 1hps h TRP 6 Ca 0.02 0.00 -0.51 0.00 2.06 0.00 0.00 58.89 60.46 1hps h TRP 6 Cb 1.21 0.00 -0.16 0.00 -1.00 0.00 0.00 29.16 29.22 1hps h TRP 6 CO 0.33 0.00 -0.76 -0.65 -3.56 0.00 0.00 178.44 173.81 1hps s GLN 7 N -3.67 1.37 0.27 0.49 -1.52 -1.26 -5.09 119.66 110.26 1hps s GLN 7 Ca 0.00 -1.56 -0.30 0.00 -1.95 0.00 0.00 55.36 51.55 1hps s GLN 7 Cb 0.10 -1.32 -0.12 0.00 -0.22 0.00 0.00 33.01 31.45 1hps s GLN 7 CO 0.44 0.24 1.64 1.03 -0.25 0.00 0.00 175.29 178.40 1hps s ARG 8 N -3.30 4.11 -1.09 2.91 0.52 -1.26 -4.85 118.95 115.98 1hps s ARG 8 Ca 0.21 2.61 -0.23 0.00 -0.52 0.00 0.00 55.73 57.80 1hps s ARG 8 Cb -0.03 -3.03 -0.09 0.00 0.52 0.00 0.00 34.95 32.32 1hps s ARG 8 CO 0.08 -0.68 1.96 -1.25 0.02 0.00 0.00 175.30 175.43 1hps s PRO 9 N -0.09 2.42 -0.12 3.54 0.04 -1.26 -4.95 135.00 134.58 1hps s PRO 9 Ca 0.67 -0.85 -0.12 0.00 0.04 0.00 0.00 61.00 60.74 1hps s PRO 9 Cb -0.49 -5.17 -0.05 0.00 0.04 0.00 0.00 34.50 28.84 1hps s PRO 9 CO 0.44 -3.92 0.26 -0.51 0.04 0.00 0.00 177.00 173.32 1hps s LEU 10 N 11.20 4.32 0.24 -3.56 1.43 -1.26 -0.87 118.68 130.18 1hps s LEU 10 Ca 0.70 0.57 0.03 0.00 -1.03 0.00 0.00 54.13 54.40 1hps s LEU 10 Cb -0.03 -2.32 -0.05 0.00 0.03 0.00 0.00 46.19 43.82 1hps s LEU 10 CO 0.10 0.23 0.01 0.54 0.23 0.00 0.00 176.35 177.46 1hps s VAL 11 N -0.23 1.00 -0.12 -1.59 0.11 0.55 -4.91 120.40 115.20 1hps s VAL 11 Ca 0.17 -2.03 -0.16 0.00 -2.93 0.00 0.00 61.98 57.03 1hps s VAL 11 Cb -0.13 -2.42 -0.05 0.00 -1.53 0.00 0.00 36.38 32.25 1hps s VAL 11 CO 0.05 -0.26 0.38 -0.89 -3.33 0.00 0.00 175.10 171.05 1hps s THR 12 N -3.44 5.23 0.14 5.04 2.01 -1.26 -0.13 115.64 123.22 1hps s THR 12 Ca 0.30 0.74 0.10 0.00 0.31 0.00 0.00 61.69 63.14 1hps s THR 12 Cb 0.06 -3.71 -0.04 0.00 0.01 0.00 0.00 72.50 68.82 1hps s THR 12 CO 0.10 0.39 -0.22 0.27 -0.69 0.00 0.00 174.62 174.46 1hps s ILE 13 N 0.34 1.99 -0.14 1.82 -4.36 0.23 -0.50 121.20 120.58 1hps s ILE 13 Ca 0.21 -1.77 0.01 0.00 -0.26 0.00 0.00 60.65 58.85 1hps s ILE 13 Cb -0.14 -1.83 0.02 0.00 1.25 0.00 0.00 42.46 41.75 1hps s ILE 13 CO 0.08 -0.09 -0.17 -0.75 0.24 0.00 0.00 174.94 174.25 1hps s LYS 14 N -2.28 2.49 -0.08 0.37 2.20 -0.58 -1.35 119.74 120.50 1hps s LYS 14 Ca 0.13 -0.65 -0.11 0.00 -0.36 0.00 0.00 55.97 54.99 1hps s LYS 14 Cb -0.09 -2.15 0.03 0.00 -1.51 0.00 0.00 37.83 34.11 1hps s LYS 14 CO 0.06 -0.14 0.28 0.42 -0.36 0.00 0.00 175.35 175.61 1hps s ILE 15 N 1.19 0.02 -1.42 5.43 1.09 -0.27 -1.50 121.20 125.73 1hps s ILE 15 Ca -0.01 -0.13 -0.14 0.00 -1.10 0.00 0.00 60.65 59.27 1hps s ILE 15 Cb -0.14 -0.44 0.12 0.00 -1.06 0.00 0.00 42.46 40.94 1hps s ILE 15 CO -0.07 -0.07 0.59 0.61 -0.10 0.00 0.00 174.94 175.90 1hps n GLY 16 N 2.54 -0.46 2.00 6.18 0.00 -1.26 -1.03 105.19 113.16 1hps n GLY 16 Ca -0.15 0.10 -0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.20 0.46 3.20 -0.02 0.00 -1.26 -5.01 105.19 101.37 1hps n GLY 17 Ca 0.04 -0.37 -0.12 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.68 0.93 -0.12 1.61 -0.21 -0.20 -5.16 119.66 115.84 1hps s GLN 18 Ca 0.00 -1.38 -0.02 0.00 0.02 0.00 0.00 55.36 53.98 1hps s GLN 18 Cb 0.00 -0.39 -0.03 0.00 1.00 0.00 0.00 33.01 33.59 1hps s GLN 18 CO 0.00 0.02 -0.04 -0.51 -2.12 0.00 0.00 175.29 172.65 1hps s LEU 19 N -3.09 3.30 -0.06 2.90 1.02 -1.26 -1.11 118.68 120.38 1hps s LEU 19 Ca 0.14 -0.04 -0.10 0.00 0.02 0.00 0.00 54.13 54.15 1hps s LEU 19 Cb 0.04 -1.76 0.02 0.00 0.02 0.00 0.00 46.19 44.51 1hps s LEU 19 CO -0.02 0.27 0.25 -0.54 0.02 0.00 0.00 176.35 176.33 1hps s LYS 20 N -0.25 0.42 0.18 1.70 -0.14 -0.46 -5.01 119.74 116.18 1hps s LYS 20 Ca 0.04 0.10 -0.13 0.00 -1.36 0.00 0.00 55.97 54.62 1hps s LYS 20 Cb -0.13 0.19 -0.07 0.00 -1.68 0.00 0.00 37.83 36.15 1hps s LYS 20 CO 0.02 -0.08 0.56 -1.21 -0.76 0.00 0.00 175.35 173.88 1hps s GLU 21 N -0.48 3.94 0.05 1.68 2.02 -1.26 -0.60 118.70 124.04 1hps s GLU 21 Ca -0.06 0.45 0.03 0.00 0.02 0.00 0.00 54.97 55.41 1hps s GLU 21 Cb -0.04 -2.84 -0.03 0.00 0.10 0.00 0.00 34.13 31.33 1hps s GLU 21 CO 0.01 0.42 -0.09 0.00 0.02 0.00 0.00 175.26 175.63 1hps s ALA 22 N -1.58 0.71 -0.15 5.21 0.00 0.81 -4.59 121.76 122.17 1hps s ALA 22 Ca 0.41 -0.82 -0.24 0.00 0.00 0.00 0.00 51.96 51.31 1hps s ALA 22 Cb -0.14 0.01 -0.02 0.00 0.00 0.00 0.00 23.12 22.97 1hps s ALA 22 CO 0.20 0.02 0.76 -1.17 0.00 0.00 0.00 175.76 175.57 1hps s LEU 23 N -1.61 4.21 -0.36 0.00 2.96 -0.49 -0.33 118.68 123.06 1hps s LEU 23 Ca -0.08 1.12 -0.29 0.00 -0.22 0.00 0.00 54.13 54.66 1hps s LEU 23 Cb -0.10 -3.14 0.01 0.00 0.50 0.00 0.00 46.19 43.46 1hps s LEU 23 CO 0.01 -0.30 1.24 -0.76 -1.32 0.00 0.00 176.35 175.21 1hps s LEU 24 N 1.75 3.79 -0.37 -0.68 1.02 -0.05 -1.84 118.68 122.30 1hps s LEU 24 Ca 0.37 0.96 0.02 0.00 0.02 0.00 0.00 54.13 55.50 1hps s LEU 24 Cb -0.17 -3.54 0.10 0.00 0.02 0.00 0.00 46.19 42.60 1hps s LEU 24 CO 0.14 -1.13 0.10 -0.62 0.02 0.00 0.00 176.35 174.85 1hps s ASP 25 N 2.67 4.85 0.42 2.29 -1.08 -0.24 -4.78 116.67 120.82 1hps s ASP 25 Ca 0.53 -2.19 0.30 0.00 -0.52 0.00 0.00 52.55 50.67 1hps s ASP 25 Cb -0.13 -1.67 1.43 0.00 -1.46 0.00 0.00 42.92 41.08 1hps s ASP 25 CO 0.25 -0.41 1.89 0.74 0.52 0.00 0.00 175.17 178.17 1hps h THR 26 N 6.49 0.00 -0.51 1.71 2.02 -1.93 -1.16 112.91 119.53 1hps h THR 26 Ca -0.06 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 66.95 1hps h THR 26 Cb 1.02 0.93 0.00 0.00 -1.74 0.00 0.00 68.15 68.36 1hps h THR 26 CO 0.57 0.00 0.00 0.61 0.37 0.00 0.00 175.52 177.07 1hps n GLY 27 N -0.62 1.41 3.29 2.16 0.00 -1.26 -4.81 105.19 105.35 1hps n GLY 27 Ca -0.00 -0.56 -0.34 0.00 0.00 0.00 0.00 46.02 45.11 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 -1.32 2.67 0.31 4.61 0.00 -0.44 -4.95 121.76 122.64 1hps s ALA 28 Ca 0.35 -1.10 0.04 0.00 0.00 0.00 0.00 51.96 51.25 1hps s ALA 28 Cb 0.18 -1.47 0.52 0.00 0.00 0.00 0.00 23.12 22.35 1hps s ALA 28 CO 0.24 -0.23 1.79 -0.44 0.00 0.00 0.00 175.76 177.11 1hps h ASP 29 N 7.70 0.43 -2.01 0.00 3.32 -1.88 0.57 116.42 124.55 1hps h ASP 29 Ca -0.38 -0.12 -0.60 0.00 0.02 0.00 0.00 57.03 55.95 1hps h ASP 29 Cb 1.17 -0.11 -0.12 0.00 0.22 0.00 0.00 39.33 40.49 1hps h ASP 29 CO 0.60 0.63 -0.66 -1.81 -1.72 0.00 0.00 179.24 176.27 1hps s ASP 30 N -6.81 3.99 -0.30 6.45 1.01 -1.26 -2.87 116.67 116.88 1hps s ASP 30 Ca -0.07 -1.01 -0.17 0.00 0.71 0.00 0.00 52.55 52.01 1hps s ASP 30 Cb 0.14 -0.48 -0.02 0.00 1.01 0.00 0.00 42.92 43.58 1hps s ASP 30 CO 0.77 -0.15 0.47 -0.89 0.21 0.00 0.00 175.17 175.58 1hps s THR 31 N -2.52 5.08 -0.09 -1.27 2.01 -1.26 -3.73 115.64 113.86 1hps s THR 31 Ca 0.33 0.53 -0.01 0.00 0.31 0.00 0.00 61.69 62.85 1hps s THR 31 Cb -0.01 -3.85 0.03 0.00 0.01 0.00 0.00 72.50 68.68 1hps s THR 31 CO 0.18 -0.03 -0.05 0.54 -0.69 0.00 0.00 174.62 174.57 1hps s VAL 32 N 2.26 0.75 0.03 3.82 0.11 -0.59 -1.41 120.40 125.36 1hps s VAL 32 Ca 0.18 -0.12 0.02 0.00 -2.93 0.00 0.00 61.98 59.13 1hps s VAL 32 Cb -0.16 -0.82 -0.04 0.00 -1.53 0.00 0.00 36.38 33.83 1hps s VAL 32 CO 0.11 0.32 -0.00 -0.76 -3.33 0.00 0.00 175.10 171.44 1hps s LEU 33 N 1.75 3.49 0.39 2.54 1.43 -0.18 -0.93 118.68 127.18 1hps s LEU 33 Ca 0.04 -0.06 -0.26 0.00 -1.03 0.00 0.00 54.13 52.82 1hps s LEU 33 Cb -0.13 -2.06 -0.09 0.00 0.03 0.00 0.00 46.19 43.95 1hps s LEU 33 CO -0.06 0.25 1.19 -1.83 0.23 0.00 0.00 176.35 176.12 1hps s GLU 34 N -1.77 4.07 -0.09 1.70 -1.05 -1.26 -1.18 118.70 119.12 1hps s GLU 34 Ca 0.21 1.88 -0.11 0.00 -0.15 0.00 0.00 54.97 56.81 1hps s GLU 34 Cb -0.12 -2.71 -0.05 0.00 -0.44 0.00 0.00 34.13 30.81 1hps s GLU 34 CO 0.12 -0.32 0.35 -1.91 0.95 0.00 0.00 175.26 174.46 1hps n GLU 35 N 0.14 0.00 -3.73 -4.83 4.07 -0.97 -4.73 120.64 110.59 1hps n GLU 35 Ca 0.04 0.00 -0.10 0.00 -0.06 0.00 0.00 57.16 57.04 1hps n GLU 35 Cb 0.46 -0.36 -0.05 0.00 -0.06 0.00 0.00 31.44 31.44 1hps n GLU 35 CO 0.00 0.00 0.00 1.41 -0.06 0.00 0.00 177.13 178.48 1hps s MET 36 N 0.56 1.16 -0.19 5.31 -2.45 -1.26 -5.03 119.30 117.41 1hps s MET 36 Ca 0.24 -0.84 -0.29 0.00 -1.25 0.00 0.00 55.69 53.55 1hps s MET 36 Cb -0.34 0.46 -0.01 0.00 1.25 0.00 0.00 34.83 36.19 1hps s MET 36 CO 0.18 -0.46 1.29 -1.54 1.05 0.00 0.00 175.02 175.55 1hps s SER 37 N -2.85 6.86 0.00 1.11 1.04 -1.26 -5.01 113.70 113.59 1hps s SER 37 Ca 0.07 1.61 0.00 0.00 0.48 0.00 0.00 55.95 58.11 1hps s SER 37 Cb 0.01 -2.54 -0.00 0.00 0.10 0.00 0.00 66.02 63.60 1hps s SER 37 CO -0.07 -0.85 -0.00 -0.22 0.98 0.00 0.00 173.24 173.08 1hps s LEU 38 N 3.75 2.00 0.16 2.42 2.96 -1.26 -4.94 118.68 123.76 1hps s LEU 38 Ca 0.56 -0.00 -0.17 0.00 -0.22 0.00 0.00 54.13 54.30 1hps s LEU 38 Cb -0.21 -0.00 -0.07 0.00 0.50 0.00 0.00 46.19 46.40 1hps s LEU 38 CO 0.17 -0.00 0.61 -2.16 -1.32 0.00 0.00 176.35 173.65 1hps s PRO 39 N -0.01 4.11 0.00 0.98 0.04 -1.26 -4.99 135.00 133.87 1hps s PRO 39 Ca -0.00 0.66 0.00 0.00 0.04 0.00 0.00 61.00 61.70 1hps s PRO 39 Cb -0.00 -2.98 0.00 0.00 0.04 0.00 0.00 34.50 31.56 1hps s PRO 39 CO -0.00 0.48 0.00 0.41 0.04 0.00 0.00 177.00 177.93 1hps n GLY 40 N 0.96 -0.59 3.39 0.56 0.00 -1.26 -5.01 105.19 103.24 1hps n GLY 40 Ca -0.05 -1.74 -0.33 0.00 0.00 0.00 0.00 46.02 43.89 1hps n GLY 40 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1hps n ARG 41 N -0.62 -0.27 -2.15 1.61 1.85 -1.26 -5.04 116.66 110.78 1hps n ARG 41 Ca 0.00 -0.04 -0.04 0.00 -1.00 0.00 0.00 57.85 56.77 1hps n ARG 41 Cb 0.00 -1.81 -0.00 0.00 -1.05 0.00 0.00 32.46 29.60 1hps n ARG 41 CO 0.00 0.00 0.00 -2.67 -0.01 0.00 0.00 177.63 174.95 1hps n TRP 42 N -3.53 -0.99 -3.84 2.89 4.27 -1.26 -4.81 117.44 110.18 1hps n TRP 42 Ca 0.06 -0.67 -0.13 0.00 -3.89 0.00 0.00 57.50 52.87 1hps n TRP 42 Cb 0.54 0.21 -0.14 0.00 -1.36 0.00 0.00 31.31 30.56 1hps n TRP 42 CO 0.00 0.00 0.00 0.15 -2.29 0.00 0.00 177.69 175.55 1hps s LYS 43 N -2.17 0.03 0.45 -2.67 3.01 -0.97 -4.92 119.74 112.50 1hps s LYS 43 Ca 0.08 0.09 -0.22 0.00 -1.01 0.00 0.00 55.97 54.90 1hps s LYS 43 Cb -0.01 -0.03 -0.11 0.00 -1.01 0.00 0.00 37.83 36.67 1hps s LYS 43 CO 0.05 -0.04 0.74 -2.30 0.51 0.00 0.00 175.35 174.32 1hps n PRO 44 N 3.30 0.86 -3.58 -1.68 -0.02 -1.26 -0.52 135.00 132.10 1hps n PRO 44 Ca -0.15 0.31 -0.12 0.00 -2.02 0.00 0.00 63.50 61.52 1hps n PRO 44 Cb 0.58 -1.77 -0.06 0.00 -0.02 0.00 0.00 33.50 32.24 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 -1.88 0.67 0.13 -0.52 2.20 -1.11 -4.78 119.74 114.45 1hps s LYS 45 Ca 0.65 0.23 0.10 0.00 -0.36 0.00 0.00 55.97 56.59 1hps s LYS 45 Cb -0.56 0.32 -0.04 0.00 -1.51 0.00 0.00 37.83 36.04 1hps s LYS 45 CO 0.56 -0.19 -0.25 1.41 -0.36 0.00 0.00 175.35 176.52 1hps s MET 46 N -0.95 1.35 0.07 4.03 1.75 -1.26 0.06 119.30 124.35 1hps s MET 46 Ca -0.03 -1.33 0.01 0.00 -1.25 0.00 0.00 55.69 53.09 1hps s MET 46 Cb -0.01 -1.78 -0.04 0.00 2.84 0.00 0.00 34.83 35.84 1hps s MET 46 CO 0.02 0.42 -0.05 0.96 -0.65 0.00 0.00 175.02 175.72 1hps s ILE 47 N -1.16 0.46 0.16 10.11 -4.36 -1.04 -4.94 121.20 120.43 1hps s ILE 47 Ca 0.13 -1.66 0.11 0.00 -0.26 0.00 0.00 60.65 58.97 1hps s ILE 47 Cb -0.10 -1.32 -0.04 0.00 1.25 0.00 0.00 42.46 42.25 1hps s ILE 47 CO 0.06 -0.80 -0.22 -0.83 0.24 0.00 0.00 174.94 173.39 1hps s GLY 48 N -2.61 1.67 0.00 6.27 0.00 -1.26 -2.51 107.32 108.88 1hps s GLY 48 Ca 0.04 -1.53 0.00 0.00 0.00 0.00 0.00 44.72 43.23 1hps s GLY 48 CO -0.05 -1.54 0.00 0.61 0.00 0.00 0.00 173.10 172.12 1hps n GLY 49 N 0.50 2.50 3.77 0.20 0.00 -0.86 -5.03 105.19 106.27 1hps n GLY 49 Ca -0.14 -1.17 -0.41 0.00 0.00 0.00 0.00 46.02 44.30 1hps n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1hps s ILE 50 N -2.75 2.20 0.00 -0.61 1.01 -1.26 -2.25 121.20 117.55 1hps s ILE 50 Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 60.65 60.85 1hps s ILE 50 Cb 0.00 -3.13 0.00 0.00 0.01 0.00 0.00 42.46 39.34 1hps s ILE 50 CO 0.00 0.05 0.00 0.61 0.00 0.00 0.00 174.94 175.60 1hps n GLY 51 N 0.77 3.01 0.00 6.18 0.00 -1.26 -4.95 105.19 108.95 1hps n GLY 51 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.92 0.87 3.73 -0.02 0.00 -0.95 -5.11 105.19 102.79 1hps n GLY 52 Ca 0.00 -1.84 -0.33 0.00 0.00 0.00 0.00 46.02 43.85 1hps n GLY 52 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1hps s PHE 53 N -2.72 3.19 0.11 1.61 -0.71 -1.26 -2.03 117.98 116.16 1hps s PHE 53 Ca 0.00 0.16 0.05 0.00 -1.04 0.00 0.00 56.93 56.10 1hps s PHE 53 Cb 0.00 -1.72 -0.04 0.00 -1.21 0.00 0.00 43.02 40.05 1hps s PHE 53 CO 0.00 0.51 -0.13 0.96 -1.34 0.00 0.00 175.22 175.22 1hps s ILE 54 N -1.09 1.22 0.07 -4.49 -4.36 -1.04 -5.01 121.20 106.49 1hps s ILE 54 Ca 0.20 -1.67 -0.18 0.00 -0.26 0.00 0.00 60.65 58.73 1hps s ILE 54 Cb -0.12 -1.46 -0.07 0.00 1.25 0.00 0.00 42.46 42.07 1hps s ILE 54 CO 0.10 -0.44 0.54 -0.54 0.24 0.00 0.00 174.94 174.84 1hps s LYS 55 N -2.64 4.13 0.15 0.37 -0.14 -1.26 -2.49 119.74 117.86 1hps s LYS 55 Ca 0.07 0.66 0.02 0.00 -1.36 0.00 0.00 55.97 55.36 1hps s LYS 55 Cb -0.05 -3.21 -0.04 0.00 -1.68 0.00 0.00 37.83 32.85 1hps s LYS 55 CO 0.02 0.64 -0.01 0.14 -0.76 0.00 0.00 175.35 175.38 1hps s VAL 56 N -1.14 0.63 -0.71 3.17 -7.23 0.11 -4.59 120.40 110.64 1hps s VAL 56 Ca 0.29 -1.96 -0.20 0.00 -1.81 0.00 0.00 61.98 58.30 1hps s VAL 56 Cb -0.19 -2.01 0.11 0.00 0.56 0.00 0.00 36.38 34.85 1hps s VAL 56 CO 0.18 -0.57 0.89 -0.13 -0.31 0.00 0.00 175.10 175.16 1hps s ARG 57 N -3.91 3.23 -0.64 4.82 0.52 0.62 -2.74 118.95 120.85 1hps s ARG 57 Ca 0.21 -1.33 -0.26 0.00 -0.52 0.00 0.00 55.73 53.82 1hps s ARG 57 Cb 0.06 -4.41 -0.02 0.00 0.52 0.00 0.00 34.95 31.10 1hps s ARG 57 CO 0.02 -1.67 1.84 -1.14 0.02 0.00 0.00 175.30 174.37 1hps s GLN 58 N 2.98 2.65 -0.20 3.54 -0.44 0.32 -0.72 119.66 127.79 1hps s GLN 58 Ca 0.20 0.49 -0.11 0.00 -2.50 0.00 0.00 55.36 53.45 1hps s GLN 58 Cb -0.17 -4.44 -0.05 0.00 -1.64 0.00 0.00 33.01 26.72 1hps s GLN 58 CO 0.03 -2.76 0.16 0.71 0.50 0.00 0.00 175.29 173.93 1hps s TYR 59 N 8.99 3.40 0.25 1.67 2.02 0.36 -2.30 117.35 131.74 1hps s TYR 59 Ca 0.66 0.35 0.10 0.00 -0.37 0.00 0.00 57.07 57.81 1hps s TYR 59 Cb -0.12 -2.20 -0.05 0.00 -0.40 0.00 0.00 41.96 39.19 1hps s TYR 59 CO 0.19 0.25 -0.18 -0.51 -1.57 0.00 0.00 175.55 173.73 1hps s ASP 60 N 0.48 3.15 -1.20 2.29 1.01 -1.26 -0.87 116.67 120.28 1hps s ASP 60 Ca 0.09 -1.03 -0.13 0.00 0.71 0.00 0.00 52.55 52.20 1hps s ASP 60 Cb -0.12 -0.23 -0.01 0.00 1.01 0.00 0.00 42.92 43.57 1hps s ASP 60 CO -0.00 -0.05 0.73 1.67 0.21 0.00 0.00 175.17 177.72 1hps n GLN 61 N -0.52 -2.31 -4.29 8.23 7.27 -0.80 -4.91 117.38 120.06 1hps n GLN 61 Ca -0.06 0.51 -0.34 0.00 0.07 0.00 0.00 57.00 57.18 1hps n GLN 61 Cb 0.60 -4.53 -0.12 0.00 2.41 0.00 0.00 30.24 28.60 1hps n GLN 61 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 1hps s ILE 62 N -3.58 4.03 -0.06 1.69 -1.09 -0.13 -4.80 121.20 117.27 1hps s ILE 62 Ca 0.31 -0.31 -0.26 0.00 -2.23 0.00 0.00 60.65 58.17 1hps s ILE 62 Cb -0.10 -2.78 -0.03 0.00 -1.58 0.00 0.00 42.46 37.96 1hps s ILE 62 CO 0.85 0.48 0.80 -0.22 -1.23 0.00 0.00 174.94 175.62 1hps s LEU 63 N 0.48 4.32 -0.04 2.97 2.96 -1.26 -0.64 118.68 127.47 1hps s LEU 63 Ca -0.02 1.34 0.03 0.00 -0.22 0.00 0.00 54.13 55.26 1hps s LEU 63 Cb -0.14 -3.26 0.01 0.00 0.50 0.00 0.00 46.19 43.30 1hps s LEU 63 CO 0.02 -0.19 -0.12 -0.63 -1.32 0.00 0.00 176.35 174.11 1hps s ILE 64 N 1.00 1.04 -0.39 6.68 1.01 -0.64 -4.40 121.20 125.50 1hps s ILE 64 Ca 0.42 -0.48 -0.12 0.00 0.00 0.00 0.00 60.65 60.48 1hps s ILE 64 Cb -0.19 -0.92 0.03 0.00 0.01 0.00 0.00 42.46 41.39 1hps s ILE 64 CO 0.21 0.32 0.25 -0.70 0.00 0.00 0.00 174.94 175.01 1hps s GLU 65 N 0.31 2.84 -0.25 2.79 2.12 -0.56 -1.11 118.70 124.83 1hps s GLU 65 Ca -0.07 -1.13 -0.13 0.00 0.36 0.00 0.00 54.97 54.01 1hps s GLU 65 Cb -0.12 -3.82 -0.04 0.00 0.26 0.00 0.00 34.13 30.41 1hps s GLU 65 CO 0.02 -0.76 0.26 0.42 -0.54 0.00 0.00 175.26 174.65 1hps s ILE 66 N 1.57 5.28 -1.63 -3.70 1.01 0.28 -1.52 121.20 122.49 1hps s ILE 66 Ca 0.03 0.37 -0.12 0.00 0.00 0.00 0.00 60.65 60.92 1hps s ILE 66 Cb -0.20 -3.60 0.12 0.00 0.01 0.00 0.00 42.46 38.80 1hps s ILE 66 CO 0.07 0.27 0.31 0.00 0.00 0.00 0.00 174.94 175.59 1hps n GLY 68 N -1.68 -0.41 2.71 0.00 0.00 -1.26 -5.02 105.19 99.53 1hps n GLY 68 Ca -0.08 0.13 -0.19 0.00 0.00 0.00 0.00 46.02 45.88 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 -3.35 0.13 0.41 1.61 4.02 0.30 -5.13 115.29 113.28 1hps s HIS 69 Ca 0.04 0.18 -0.16 0.00 1.02 0.00 0.00 55.06 56.14 1hps s HIS 69 Cb -0.01 -0.46 -0.09 0.00 -1.02 0.00 0.00 32.58 31.01 1hps s HIS 69 CO 0.70 -0.18 0.86 0.15 1.02 0.00 0.00 174.74 177.29 1hps s LYS 70 N 1.86 4.01 0.15 1.40 1.02 -1.26 0.99 119.74 127.90 1hps s LYS 70 Ca 0.01 0.82 -0.25 0.00 0.02 0.00 0.00 55.97 56.57 1hps s LYS 70 Cb -0.12 -2.29 0.06 0.00 -0.52 0.00 0.00 37.83 34.96 1hps s LYS 70 CO -0.03 -0.03 0.92 0.00 -0.92 0.00 0.00 175.35 175.29 1hps s ALA 71 N -2.26 -1.63 -0.03 5.17 0.00 -0.27 -4.89 121.76 117.86 1hps s ALA 71 Ca 0.57 0.19 0.01 0.00 0.00 0.00 0.00 51.96 52.72 1hps s ALA 71 Cb -0.10 0.64 0.02 0.00 0.00 0.00 0.00 23.12 23.69 1hps s ALA 71 CO 0.22 -1.00 -0.02 0.42 0.00 0.00 0.00 175.76 175.38 1hps s ILE 72 N -3.34 0.28 0.08 0.00 1.01 -1.26 -1.62 121.20 116.35 1hps s ILE 72 Ca 0.11 -0.01 -0.09 0.00 0.00 0.00 0.00 60.65 60.66 1hps s ILE 72 Cb -0.02 -0.34 0.03 0.00 0.01 0.00 0.00 42.46 42.15 1hps s ILE 72 CO 0.01 0.15 0.42 0.61 0.00 0.00 0.00 174.94 176.13 1hps n GLY 73 N 3.90 1.03 3.66 6.18 0.00 0.19 -4.79 105.19 115.36 1hps n GLY 73 Ca -0.24 -1.02 -0.43 0.00 0.00 0.00 0.00 46.02 44.34 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 -2.37 4.75 -0.06 2.61 2.01 -1.25 -0.95 115.64 120.37 1hps s THR 74 Ca 0.09 1.92 0.04 0.00 0.31 0.00 0.00 61.69 64.06 1hps s THR 74 Cb -0.01 -4.26 -0.00 0.00 0.01 0.00 0.00 72.50 68.23 1hps s THR 74 CO 0.02 -0.10 -0.20 -0.69 -0.69 0.00 0.00 174.62 172.96 1hps s VAL 75 N 2.76 1.71 -0.06 3.82 1.01 -0.05 -4.48 120.40 125.11 1hps s VAL 75 Ca 0.43 -0.85 0.03 0.00 0.00 0.00 0.00 61.98 61.58 1hps s VAL 75 Cb -0.16 -1.47 -0.03 0.00 0.00 0.00 0.00 36.38 34.72 1hps s VAL 75 CO 0.10 0.48 -0.12 -0.76 0.00 0.00 0.00 175.10 174.79 1hps s LEU 76 N 0.14 2.84 -0.14 3.92 1.43 -0.50 -0.48 118.68 125.88 1hps s LEU 76 Ca -0.09 -0.16 0.00 0.00 -1.03 0.00 0.00 54.13 52.85 1hps s LEU 76 Cb -0.14 -1.59 -0.01 0.00 0.03 0.00 0.00 46.19 44.48 1hps s LEU 76 CO 0.04 0.34 -0.14 -0.69 0.23 0.00 0.00 176.35 176.13 1hps s VAL 77 N -0.67 2.90 0.00 -1.59 1.01 0.11 -1.01 120.40 121.15 1hps s VAL 77 Ca 0.10 -0.71 0.00 0.00 0.00 0.00 0.00 61.98 61.37 1hps s VAL 77 Cb -0.11 -2.22 0.00 0.00 0.00 0.00 0.00 36.38 34.05 1hps s VAL 77 CO 0.01 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.24 1hps n GLY 78 N 3.69 0.91 3.40 4.51 0.00 -0.33 -0.27 105.19 117.09 1hps n GLY 78 Ca -0.18 -0.61 -0.34 0.00 0.00 0.00 0.00 46.02 44.88 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 1.36 -4.69 1.61 -0.04 -1.26 -2.30 135.00 129.68 1hps n PRO 79 Ca 0.00 -2.09 -0.25 0.00 -0.04 0.00 0.00 63.50 61.13 1hps n PRO 79 Cb 0.00 -3.36 -0.14 0.00 -0.04 0.00 0.00 33.50 29.96 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 8.92 1.49 0.07 0.52 -1.32 -1.26 -5.00 115.64 119.07 1hps s THR 80 Ca 0.65 -1.01 0.16 0.00 -1.21 0.00 0.00 61.69 60.29 1hps s THR 80 Cb 0.06 -1.28 0.07 0.00 -1.51 0.00 0.00 72.50 69.84 1hps s THR 80 CO 0.15 0.25 1.60 -0.65 -2.21 0.00 0.00 174.62 173.76 1hps h PRO 81 N 5.19 0.00 -5.42 7.08 0.11 -1.97 -3.42 132.00 133.58 1hps h PRO 81 Ca -0.40 0.00 -0.42 0.00 0.11 0.00 0.00 66.00 65.29 1hps h PRO 81 Cb 1.16 0.00 -0.21 0.00 0.11 0.00 0.00 31.00 32.06 1hps h PRO 81 CO 0.46 0.48 -0.78 0.08 -0.21 0.00 0.00 178.00 178.03 1hps s VAL 82 N -3.33 1.18 0.19 3.15 1.01 -1.26 -5.03 120.40 116.30 1hps s VAL 82 Ca 0.01 -1.36 -0.30 0.00 0.00 0.00 0.00 61.98 60.33 1hps s VAL 82 Cb 0.10 -1.15 -0.08 0.00 0.00 0.00 0.00 36.38 35.25 1hps s VAL 82 CO 0.72 -0.23 0.96 0.20 0.00 0.00 0.00 175.10 176.75 1hps s ASN 83 N -1.81 7.57 -0.04 3.32 0.01 -1.26 -4.53 114.94 118.20 1hps s ASN 83 Ca -0.00 1.90 0.02 0.00 -0.71 0.00 0.00 52.86 54.07 1hps s ASN 83 Cb -0.10 -2.60 0.01 0.00 0.41 0.00 0.00 41.25 38.97 1hps s ASN 83 CO 0.02 0.06 -0.10 -0.63 -1.51 0.00 0.00 177.10 174.94 1hps s ILE 84 N -0.71 0.90 -0.24 0.60 1.01 -0.10 -1.39 121.20 121.27 1hps s ILE 84 Ca 0.44 -0.38 -0.07 0.00 0.00 0.00 0.00 60.65 60.64 1hps s ILE 84 Cb -0.25 -0.83 -0.02 0.00 0.01 0.00 0.00 42.46 41.36 1hps s ILE 84 CO 0.32 0.29 0.05 -0.63 0.00 0.00 0.00 174.94 174.96 1hps s ILE 85 N 0.50 4.14 0.53 2.92 -1.09 -0.77 -1.55 121.20 125.88 1hps s ILE 85 Ca -0.09 -0.23 0.07 0.00 -2.23 0.00 0.00 60.65 58.17 1hps s ILE 85 Cb -0.13 -2.92 0.04 0.00 -1.58 0.00 0.00 42.46 37.87 1hps s ILE 85 CO 0.02 0.36 0.51 -0.83 -1.23 0.00 0.00 174.94 173.77 1hps s GLY 86 N 1.55 2.14 0.57 6.18 0.00 -1.24 -1.07 107.32 115.44 1hps s GLY 86 Ca 0.06 -1.63 0.25 0.00 0.00 0.00 0.00 44.72 43.40 1hps s GLY 86 CO 0.02 -1.82 2.21 3.21 0.00 0.00 0.00 173.10 176.72 1hps h ARG 87 N 0.63 0.00 0.00 2.90 3.08 -0.94 0.23 114.38 120.29 1hps h ARG 87 Ca -0.36 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.69 1hps h ARG 87 Cb 1.29 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.34 1hps h ARG 87 CO 0.52 0.00 0.00 -2.95 -1.07 0.00 0.00 179.97 176.47 1hps h ASN 88 N 0.00 0.00 0.00 7.04 -1.07 -1.77 -2.66 115.58 117.12 1hps h ASN 88 Ca 0.01 0.00 -0.04 0.00 0.07 0.00 0.00 56.30 56.34 1hps h ASN 88 Cb 0.06 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 36.31 1hps h ASN 88 CO -0.00 0.00 -1.35 0.18 0.07 0.00 0.00 177.43 176.32 1hps n LEU 89 N -2.36 0.00 0.19 6.14 4.77 0.03 -4.68 117.00 121.09 1hps n LEU 89 Ca -0.01 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 56.02 1hps n LEU 89 Cb 0.09 0.05 0.48 0.00 -2.33 0.00 0.00 43.42 41.71 1hps n LEU 89 CO 0.14 0.05 0.91 -0.07 -1.33 0.00 0.00 177.39 177.09 1hps h LEU 90 N 0.00 0.07 0.00 2.23 3.38 -1.09 0.14 115.31 120.04 1hps h LEU 90 Ca -0.06 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1hps h LEU 90 Cb 0.68 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.42 1hps h LEU 90 CO 0.00 0.23 -0.05 0.71 0.09 0.00 0.00 178.44 179.42 1hps h THR 91 N 0.07 0.00 -0.15 0.22 1.35 -1.80 0.87 112.91 113.47 1hps h THR 91 Ca 0.01 -0.94 -0.22 0.00 -0.55 0.00 0.00 66.41 64.72 1hps h THR 91 Cb 0.32 1.91 0.01 0.00 -1.73 0.00 0.00 68.15 68.66 1hps h THR 91 CO 0.02 0.00 -0.75 1.56 -0.25 0.00 0.00 175.52 176.10 1hps h GLN 92 N 0.00 0.77 -0.12 4.72 4.20 -1.25 -2.67 115.11 120.77 1hps h GLN 92 Ca 0.00 -0.63 0.00 0.00 0.06 0.00 0.00 58.65 58.08 1hps h GLN 92 Cb 0.97 0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.88 1hps h GLN 92 CO 0.00 1.24 0.00 0.44 -0.67 0.00 0.00 178.83 179.84 1hps n ILE 93 N -3.97 0.15 -2.44 2.54 -5.35 -1.01 -4.92 119.36 104.36 1hps n ILE 93 Ca -0.08 -0.22 -0.18 0.00 -0.27 0.00 0.00 62.75 62.00 1hps n ILE 93 Cb 0.73 0.12 -0.00 0.00 -1.74 0.00 0.00 39.64 38.76 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 0.98 -0.35 3.67 3.28 0.00 -0.94 -4.96 105.19 106.87 1hps n GLY 94 Ca 0.14 -0.12 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 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 2.58 2.55 -0.08 0.00 -4.23 -1.26 -4.66 115.64 110.55 1hps s THR 96 Ca 0.47 -1.67 0.00 0.00 -1.18 0.00 0.00 61.69 59.31 1hps s THR 96 Cb -0.17 -2.98 -0.03 0.00 1.34 0.00 0.00 72.50 70.66 1hps s THR 96 CO 0.13 -0.06 -0.07 -0.22 -0.54 0.00 0.00 174.62 173.86 1hps s LEU 97 N -3.90 3.17 -0.00 4.79 2.96 -1.26 -5.09 118.68 119.34 1hps s LEU 97 Ca 0.41 -0.04 -0.01 0.00 -0.22 0.00 0.00 54.13 54.26 1hps s LEU 97 Cb 0.01 -1.70 -0.00 0.00 0.50 0.00 0.00 46.19 45.00 1hps s LEU 97 CO 0.23 0.33 0.02 0.20 -1.32 0.00 0.00 176.35 175.82 1hps s ASN 98 N -0.64 0.05 0.00 3.68 0.02 -1.26 -5.29 114.94 111.50 1hps s ASN 98 Ca 0.10 -0.12 0.00 0.00 -1.02 0.00 0.00 52.86 51.82 1hps s ASN 98 Cb -0.12 0.09 0.00 0.00 0.02 0.00 0.00 41.25 41.24 1hps s ASN 98 CO 0.02 -0.12 0.00 2.22 0.02 0.00 0.00 177.10 179.24