#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1htg s GLN 2 N 0.00 3.51 -0.21 0.54 0.74 -1.26 -5.09 119.66 117.90 1htg s GLN 2 Ca 0.00 -0.56 -0.09 0.00 0.05 0.00 0.00 55.36 54.76 1htg s GLN 2 Cb 0.00 -3.11 -0.04 0.00 1.10 0.00 0.00 33.01 30.96 1htg s GLN 2 CO 0.00 -0.14 0.10 0.42 -0.55 0.00 0.00 175.29 175.12 1htg s ILE 3 N 1.39 5.06 0.58 -2.34 1.01 -1.26 -5.10 121.20 120.53 1htg s ILE 3 Ca 0.05 0.07 -0.02 0.00 0.00 0.00 0.00 60.65 60.74 1htg s ILE 3 Cb -0.15 -3.31 0.03 0.00 0.01 0.00 0.00 42.46 39.04 1htg s ILE 3 CO -0.00 0.42 0.84 0.42 0.00 0.00 0.00 174.94 176.62 1htg s THR 4 N 0.62 3.00 -0.19 2.92 -4.23 -1.26 -5.02 115.64 111.48 1htg s THR 4 Ca 0.06 -0.41 0.15 0.00 -1.18 0.00 0.00 61.69 60.31 1htg s THR 4 Cb -0.12 -3.17 0.46 0.00 1.34 0.00 0.00 72.50 71.00 1htg s THR 4 CO 0.01 -0.15 1.35 0.18 -0.54 0.00 0.00 174.62 175.47 1htg n LEU 5 N -2.48 3.48 0.01 4.79 4.77 -1.26 -4.47 117.00 121.84 1htg n LEU 5 Ca 0.06 -3.25 -0.02 0.00 -0.03 0.00 0.00 56.01 52.77 1htg n LEU 5 Cb 0.59 -0.53 0.25 0.00 -2.33 0.00 0.00 43.42 41.39 1htg n LEU 5 CO 0.49 0.85 0.83 -0.50 -1.33 0.00 0.00 177.39 177.72 1htg h TRP 6 N 1.12 0.54 -1.39 -1.77 4.06 -2.06 -3.43 115.95 113.02 1htg h TRP 6 Ca 0.05 -0.08 -0.57 0.00 2.06 0.00 0.00 58.89 60.35 1htg h TRP 6 Cb 1.35 -0.14 -0.08 0.00 -1.00 0.00 0.00 29.16 29.30 1htg h TRP 6 CO 0.50 0.62 -0.46 -0.65 -3.56 0.00 0.00 178.44 174.89 1htg s GLN 7 N -4.71 2.27 0.28 0.49 1.11 -1.26 -5.09 119.66 112.73 1htg s GLN 7 Ca -0.07 -1.86 -0.30 0.00 0.01 0.00 0.00 55.36 53.14 1htg s GLN 7 Cb 0.15 -2.02 -0.11 0.00 -1.01 0.00 0.00 33.01 30.02 1htg s GLN 7 CO 0.78 -0.20 1.51 1.03 0.01 0.00 0.00 175.29 178.42 1htg s ARG 8 N -3.98 4.19 -1.19 2.91 0.52 -1.26 -4.84 118.95 115.30 1htg s ARG 8 Ca 0.39 2.44 -0.14 0.00 -0.52 0.00 0.00 55.73 57.90 1htg s ARG 8 Cb 0.02 -3.06 -0.06 0.00 0.52 0.00 0.00 34.95 32.37 1htg s ARG 8 CO 0.22 -0.52 2.26 -0.35 0.02 0.00 0.00 175.30 176.93 1htg n PRO 9 N 2.17 2.48 -2.78 3.54 -0.04 -1.26 -4.91 135.00 134.20 1htg n PRO 9 Ca 0.07 -2.09 -0.42 0.00 -0.04 0.00 0.00 63.50 61.03 1htg n PRO 9 Cb 0.39 -2.93 -0.03 0.00 -0.04 0.00 0.00 33.50 30.88 1htg n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1htg s LEU 10 N 1.12 4.37 0.36 1.53 1.43 -1.26 -0.70 118.68 125.52 1htg s LEU 10 Ca 0.53 1.57 0.04 0.00 -1.03 0.00 0.00 54.13 55.24 1htg s LEU 10 Cb 0.14 -3.48 -0.05 0.00 0.03 0.00 0.00 46.19 42.83 1htg s LEU 10 CO -0.01 -0.22 0.07 0.68 0.23 0.00 0.00 176.35 177.09 1htg s VAL 11 N 0.92 1.12 -0.13 -1.59 -7.23 0.97 -4.92 120.40 109.54 1htg s VAL 11 Ca 0.49 -2.00 -0.15 0.00 -1.81 0.00 0.00 61.98 58.51 1htg s VAL 11 Cb -0.20 -2.67 -0.05 0.00 0.56 0.00 0.00 36.38 34.02 1htg s VAL 11 CO 0.26 0.00 0.34 -0.89 -0.31 0.00 0.00 175.10 174.50 1htg s THR 12 N -3.21 5.26 0.31 5.32 2.01 -1.26 -0.73 115.64 123.33 1htg s THR 12 Ca 0.32 0.66 0.10 0.00 0.31 0.00 0.00 61.69 63.07 1htg s THR 12 Cb 0.07 -3.67 -0.05 0.00 0.01 0.00 0.00 72.50 68.86 1htg s THR 12 CO 0.15 0.41 -0.06 0.27 -0.69 0.00 0.00 174.62 174.69 1htg s ILE 13 N 0.26 2.71 -0.11 1.82 -4.36 0.20 -2.25 121.20 119.47 1htg s ILE 13 Ca 0.19 -2.11 0.01 0.00 -0.26 0.00 0.00 60.65 58.49 1htg s ILE 13 Cb -0.14 -2.65 0.02 0.00 1.25 0.00 0.00 42.46 40.94 1htg s ILE 13 CO 0.06 -0.29 -0.13 -0.75 0.24 0.00 0.00 174.94 174.07 1htg s LYS 14 N -3.64 1.99 -0.05 0.37 2.20 -0.37 -0.64 119.74 119.60 1htg s LYS 14 Ca 0.32 -0.47 -0.02 0.00 -0.36 0.00 0.00 55.97 55.45 1htg s LYS 14 Cb -0.02 -1.77 0.04 0.00 -1.51 0.00 0.00 37.83 34.56 1htg s LYS 14 CO 0.18 -0.12 0.10 -1.50 -0.36 0.00 0.00 175.35 173.65 1htg s ILE 15 N 1.16 -0.06 -1.42 5.43 2.07 0.52 -1.62 121.20 127.28 1htg s ILE 15 Ca -0.04 0.20 -0.10 0.00 -1.41 0.00 0.00 60.65 59.30 1htg s ILE 15 Cb -0.14 -0.18 0.04 0.00 0.13 0.00 0.00 42.46 42.31 1htg s ILE 15 CO -0.03 0.08 1.04 0.61 -1.91 0.00 0.00 174.94 174.73 1htg n GLY 16 N 4.23 -0.49 3.43 1.50 0.00 -1.26 -1.55 105.19 111.05 1htg n GLY 16 Ca -0.27 0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1htg n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1htg n GLY 17 N -1.78 0.19 3.78 -0.02 0.00 -1.26 -4.96 105.19 101.14 1htg n GLY 17 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 1htg n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1htg s GLN 18 N -1.04 3.17 0.04 1.61 -0.21 -0.59 -5.08 119.66 117.56 1htg s GLN 18 Ca 0.00 -0.34 -0.18 0.00 0.02 0.00 0.00 55.36 54.86 1htg s GLN 18 Cb 0.00 -2.95 -0.06 0.00 1.00 0.00 0.00 33.01 31.00 1htg s GLN 18 CO 0.00 0.71 0.52 -0.51 -2.12 0.00 0.00 175.29 173.89 1htg s LEU 19 N -1.24 4.50 0.07 2.90 1.43 -1.26 -0.35 118.68 124.73 1htg s LEU 19 Ca 0.17 1.16 -0.04 0.00 -1.03 0.00 0.00 54.13 54.39 1htg s LEU 19 Cb -0.12 -2.80 -0.03 0.00 0.03 0.00 0.00 46.19 43.27 1htg s LEU 19 CO 0.07 0.27 0.05 -0.54 0.23 0.00 0.00 176.35 176.43 1htg s LYS 20 N -0.98 0.71 -0.04 1.70 1.02 0.19 -4.99 119.74 117.36 1htg s LYS 20 Ca 0.27 -1.14 -0.12 0.00 0.02 0.00 0.00 55.97 55.00 1htg s LYS 20 Cb -0.18 0.26 -0.05 0.00 -0.52 0.00 0.00 37.83 37.33 1htg s LYS 20 CO 0.17 -0.18 0.32 -2.00 -0.92 0.00 0.00 175.35 172.75 1htg s GLU 21 N -3.91 3.78 0.03 1.68 2.56 -1.26 0.59 118.70 122.18 1htg s GLU 21 Ca 0.07 0.23 -0.02 0.00 0.00 0.00 0.00 54.97 55.26 1htg s GLU 21 Cb 0.07 -3.22 -0.02 0.00 2.00 0.00 0.00 34.13 32.96 1htg s GLU 21 CO -0.10 0.70 0.00 0.00 -0.56 0.00 0.00 175.26 175.31 1htg s ALA 22 N -1.00 0.17 -0.18 6.30 0.00 0.09 -4.40 121.76 122.73 1htg s ALA 22 Ca 0.21 -0.73 -0.25 0.00 0.00 0.00 0.00 51.96 51.19 1htg s ALA 22 Cb -0.15 0.20 -0.01 0.00 0.00 0.00 0.00 23.12 23.16 1htg s ALA 22 CO 0.10 -0.26 0.82 -1.17 0.00 0.00 0.00 175.76 175.25 1htg s LEU 23 N -2.01 4.16 -0.27 0.00 2.96 -0.26 -0.02 118.68 123.24 1htg s LEU 23 Ca -0.07 1.13 -0.29 0.00 -0.22 0.00 0.00 54.13 54.68 1htg s LEU 23 Cb -0.03 -3.20 -0.01 0.00 0.50 0.00 0.00 46.19 43.45 1htg s LEU 23 CO -0.04 -0.40 1.45 -0.76 -1.32 0.00 0.00 176.35 175.27 1htg s LEU 24 N 2.22 3.87 -0.35 -0.68 1.43 0.12 -0.89 118.68 124.40 1htg s LEU 24 Ca 0.37 1.37 0.01 0.00 -1.03 0.00 0.00 54.13 54.85 1htg s LEU 24 Cb -0.16 -3.54 0.11 0.00 0.03 0.00 0.00 46.19 42.63 1htg s LEU 24 CO 0.11 -1.18 0.12 -0.62 0.23 0.00 0.00 176.35 175.01 1htg s ASP 25 N 3.50 4.21 0.12 2.29 -1.08 0.01 -4.81 116.67 120.91 1htg s ASP 25 Ca 0.63 -2.04 0.17 0.00 -0.52 0.00 0.00 52.55 50.79 1htg s ASP 25 Cb -0.20 -1.17 0.74 0.00 -1.46 0.00 0.00 42.92 40.83 1htg s ASP 25 CO 0.26 -0.37 1.53 0.35 0.52 0.00 0.00 175.17 177.47 1htg n THR 26 N 4.35 1.02 1.43 1.71 -2.24 -1.26 -1.77 114.28 117.51 1htg n THR 26 Ca 0.02 0.29 0.11 0.00 -2.27 0.00 0.00 64.05 62.20 1htg n THR 26 Cb 0.40 -1.14 0.44 0.00 -2.10 0.00 0.00 70.33 67.93 1htg n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1htg n GLY 27 N -0.19 -0.03 3.51 3.38 0.00 -1.26 -4.80 105.19 105.79 1htg n GLY 27 Ca 0.02 -0.35 -0.34 0.00 0.00 0.00 0.00 46.02 45.35 1htg n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1htg s ALA 28 N -1.86 3.10 0.19 4.61 0.00 -0.73 -4.99 121.76 122.09 1htg s ALA 28 Ca 0.32 -0.87 -0.03 0.00 0.00 0.00 0.00 51.96 51.38 1htg s ALA 28 Cb 0.17 -1.72 0.12 0.00 0.00 0.00 0.00 23.12 21.69 1htg s ALA 28 CO 0.26 0.07 1.52 -0.44 0.00 0.00 0.00 175.76 177.16 1htg h ASP 29 N 7.00 0.62 -2.36 0.00 3.32 -1.87 0.24 116.42 123.39 1htg h ASP 29 Ca -0.34 -0.32 -0.56 0.00 0.02 0.00 0.00 57.03 55.83 1htg h ASP 29 Cb 1.18 -0.18 -0.13 0.00 0.22 0.00 0.00 39.33 40.42 1htg h ASP 29 CO 0.64 1.03 -0.59 -1.81 -1.72 0.00 0.00 179.24 176.79 1htg s ASP 30 N -6.91 3.14 -0.22 6.45 1.01 -1.26 -2.39 116.67 116.48 1htg s ASP 30 Ca -0.07 -1.44 -0.13 0.00 0.71 0.00 0.00 52.55 51.62 1htg s ASP 30 Cb 0.11 -0.07 -0.05 0.00 1.01 0.00 0.00 42.92 43.93 1htg s ASP 30 CO 0.84 -0.61 0.26 -0.89 0.21 0.00 0.00 175.17 174.97 1htg s THR 31 N -3.04 5.30 -0.10 -1.27 2.01 -1.26 -3.40 115.64 113.87 1htg s THR 31 Ca 0.31 0.40 0.00 0.00 0.31 0.00 0.00 61.69 62.71 1htg s THR 31 Cb 0.08 -3.59 0.02 0.00 0.01 0.00 0.00 72.50 69.02 1htg s THR 31 CO 0.15 0.31 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.60 1htg s VAL 32 N 1.13 1.10 0.05 3.82 1.01 -0.30 -0.25 120.40 126.96 1htg s VAL 32 Ca 0.12 -0.37 0.06 0.00 0.00 0.00 0.00 61.98 61.79 1htg s VAL 32 Cb -0.14 -1.08 -0.03 0.00 0.00 0.00 0.00 36.38 35.13 1htg s VAL 32 CO 0.06 0.37 -0.13 -0.76 0.00 0.00 0.00 175.10 174.64 1htg s LEU 33 N 1.40 2.86 0.89 3.92 1.43 0.21 -0.30 118.68 129.08 1htg s LEU 33 Ca -0.01 -0.34 -0.11 0.00 -1.03 0.00 0.00 54.13 52.64 1htg s LEU 33 Cb -0.13 -1.67 0.13 0.00 0.03 0.00 0.00 46.19 44.55 1htg s LEU 33 CO -0.05 0.24 1.16 -1.61 0.23 0.00 0.00 176.35 176.33 1htg s GLU 34 N -1.62 1.18 -0.31 1.70 2.02 -1.26 -2.22 118.70 118.19 1htg s GLU 34 Ca 0.17 1.61 -0.42 0.00 0.02 0.00 0.00 54.97 56.34 1htg s GLU 34 Cb -0.11 -1.74 -0.17 0.00 0.10 0.00 0.00 34.13 32.21 1htg s GLU 34 CO 0.08 -2.52 1.63 -1.91 0.02 0.00 0.00 175.26 172.56 1htg n GLU 35 N -3.99 0.71 -3.81 1.61 4.07 -1.23 -4.66 120.64 113.34 1htg n GLU 35 Ca 0.12 0.26 -0.05 0.00 -0.06 0.00 0.00 57.16 57.44 1htg n GLU 35 Cb 0.52 -1.87 -0.00 0.00 -0.06 0.00 0.00 31.44 30.03 1htg n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1htg s MET 36 N 2.96 1.49 -0.39 5.31 0.23 -1.26 -5.06 119.30 122.58 1htg s MET 36 Ca 0.99 -0.89 -0.16 0.00 -1.03 0.00 0.00 55.69 54.61 1htg s MET 36 Cb -1.22 0.47 0.01 0.00 -1.53 0.00 0.00 34.83 32.56 1htg s MET 36 CO 0.69 -0.69 0.36 -1.12 -2.03 0.00 0.00 175.02 172.24 1htg s SER 37 N -3.07 6.16 0.21 -1.18 0.01 -1.26 -5.04 113.70 109.52 1htg s SER 37 Ca 0.15 -0.59 0.08 0.00 1.31 0.00 0.00 55.95 56.91 1htg s SER 37 Cb -0.03 -2.19 -0.04 0.00 0.21 0.00 0.00 66.02 63.97 1htg s SER 37 CO 0.05 -0.45 -0.02 -0.76 0.41 0.00 0.00 173.24 172.47 1htg s LEU 38 N 1.95 3.19 0.16 2.44 1.43 -1.26 -5.08 118.68 121.51 1htg s LEU 38 Ca 0.10 -0.53 -0.32 0.00 -1.03 0.00 0.00 54.13 52.35 1htg s LEU 38 Cb -0.17 -1.80 -0.12 0.00 0.03 0.00 0.00 46.19 44.13 1htg s LEU 38 CO 0.12 0.06 1.75 -0.81 0.23 0.00 0.00 176.35 177.70 1htg n PRO 39 N -0.36 2.68 0.00 1.29 -0.04 -1.26 -4.91 135.00 132.40 1htg n PRO 39 Ca -0.09 0.97 0.00 0.00 -0.04 0.00 0.00 63.50 64.34 1htg n PRO 39 Cb 0.57 -2.82 0.00 0.00 -0.04 0.00 0.00 33.50 31.20 1htg n PRO 39 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1htg n GLY 40 N 4.01 -0.30 3.87 0.55 0.00 -1.26 -4.89 105.19 107.16 1htg n GLY 40 Ca 0.17 -2.21 -0.33 0.00 0.00 0.00 0.00 46.02 43.65 1htg n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1htg s ARG 41 N 0.00 3.78 0.28 1.61 0.52 -1.26 -5.08 118.95 118.80 1htg s ARG 41 Ca 0.00 0.21 0.10 0.00 -0.52 0.00 0.00 55.73 55.52 1htg s ARG 41 Cb 0.00 -2.82 -0.04 0.00 0.52 0.00 0.00 34.95 32.61 1htg s ARG 41 CO 0.00 0.43 -0.02 1.67 0.02 0.00 0.00 175.30 177.41 1htg s TRP 42 N -1.63 2.64 0.32 -0.53 1.48 -1.26 -4.60 118.94 115.37 1htg s TRP 42 Ca 0.41 -0.26 0.09 0.00 -1.06 0.00 0.00 56.10 55.29 1htg s TRP 42 Cb -0.13 -1.22 -0.06 0.00 -1.16 0.00 0.00 33.47 30.91 1htg s TRP 42 CO 0.21 0.61 -0.11 -1.59 -4.06 0.00 0.00 176.95 172.01 1htg s LYS 43 N -3.67 1.75 0.18 3.25 -2.85 -0.47 -4.90 119.74 113.04 1htg s LYS 43 Ca 0.32 -1.89 -0.14 0.00 -1.00 0.00 0.00 55.97 53.26 1htg s LYS 43 Cb -0.06 -1.63 -0.07 0.00 -2.06 0.00 0.00 37.83 34.01 1htg s LYS 43 CO 0.19 0.16 0.58 -1.25 0.10 0.00 0.00 175.35 175.13 1htg s PRO 44 N -3.61 3.97 0.01 1.78 0.04 -1.26 -0.15 135.00 135.78 1htg s PRO 44 Ca 0.32 0.49 -0.08 0.00 0.04 0.00 0.00 61.00 61.76 1htg s PRO 44 Cb 0.01 -2.83 0.00 0.00 0.04 0.00 0.00 34.50 31.73 1htg s PRO 44 CO 0.15 0.41 0.17 0.21 0.04 0.00 0.00 177.00 177.98 1htg s LYS 45 N -2.22 0.56 -0.10 4.56 2.20 -0.63 -4.86 119.74 119.26 1htg s LYS 45 Ca 0.41 -0.45 0.03 0.00 -0.36 0.00 0.00 55.97 55.61 1htg s LYS 45 Cb -0.14 0.23 -0.01 0.00 -1.51 0.00 0.00 37.83 36.40 1htg s LYS 45 CO 0.20 -0.14 -0.21 1.41 -0.36 0.00 0.00 175.35 176.25 1htg s MET 46 N -1.71 3.00 0.05 4.03 -2.45 -1.26 0.42 119.30 121.37 1htg s MET 46 Ca -0.12 -0.82 0.06 0.00 -1.25 0.00 0.00 55.69 53.57 1htg s MET 46 Cb -0.06 -2.37 -0.02 0.00 1.25 0.00 0.00 34.83 33.63 1htg s MET 46 CO 0.00 0.26 -0.18 0.96 1.05 0.00 0.00 175.02 177.11 1htg s ILE 47 N 0.16 1.47 -0.15 10.11 -4.36 0.80 -4.94 121.20 124.29 1htg s ILE 47 Ca -0.11 -1.16 -0.06 0.00 -0.26 0.00 0.00 60.65 59.06 1htg s ILE 47 Cb -0.16 -1.30 -0.04 0.00 1.25 0.00 0.00 42.46 42.21 1htg s ILE 47 CO 0.06 0.11 0.05 -0.83 0.24 0.00 0.00 174.94 174.58 1htg s GLY 48 N -1.22 1.91 0.00 6.27 0.00 -1.26 0.74 107.32 113.75 1htg s GLY 48 Ca 0.05 -0.75 0.00 0.00 0.00 0.00 0.00 44.72 44.02 1htg s GLY 48 CO 0.02 -0.12 0.00 0.61 0.00 0.00 0.00 173.10 173.61 1htg n GLY 49 N 3.10 6.77 0.36 0.20 0.00 0.82 -4.98 105.19 111.47 1htg n GLY 49 Ca -0.17 -1.84 0.08 0.00 0.00 0.00 0.00 46.02 44.08 1htg n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1htg h ILE 50 N 0.00 0.91 -0.03 -0.61 6.09 -2.02 -2.96 117.51 118.89 1htg h ILE 50 Ca 0.00 -0.33 0.00 0.00 -1.37 0.00 0.00 64.86 63.16 1htg h ILE 50 Cb 0.00 -0.14 0.00 0.00 0.47 0.00 0.00 36.82 37.15 1htg h ILE 50 CO 0.00 0.18 -0.01 0.61 -3.07 0.00 0.00 178.15 175.85 1htg n GLY 51 N -1.36 0.91 0.00 8.18 0.00 -1.26 -5.07 105.19 106.59 1htg n GLY 51 Ca 0.19 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.53 1htg n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1htg n GLY 52 N 1.34 0.75 3.89 -0.02 0.00 -1.12 -5.10 105.19 104.93 1htg n GLY 52 Ca 0.14 -1.86 -0.35 0.00 0.00 0.00 0.00 46.02 43.96 1htg n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1htg s PHE 53 N -1.88 3.57 0.28 1.61 0.40 -1.26 -0.12 117.98 120.57 1htg s PHE 53 Ca 0.00 0.48 0.09 0.00 -0.60 0.00 0.00 56.93 56.90 1htg s PHE 53 Cb 0.00 -1.92 -0.05 0.00 0.51 0.00 0.00 43.02 41.56 1htg s PHE 53 CO 0.00 0.66 -0.12 0.96 0.70 0.00 0.00 175.22 177.41 1htg s ILE 54 N -1.24 2.02 -0.22 0.64 -4.36 0.23 -4.94 121.20 113.32 1htg s ILE 54 Ca 0.24 -2.24 -0.10 0.00 -0.26 0.00 0.00 60.65 58.30 1htg s ILE 54 Cb -0.13 -2.36 -0.05 0.00 1.25 0.00 0.00 42.46 41.17 1htg s ILE 54 CO 0.14 -0.37 0.13 -0.75 0.24 0.00 0.00 174.94 174.33 1htg s LYS 55 N -3.62 4.07 0.37 0.37 2.47 -1.26 -0.14 119.74 122.00 1htg s LYS 55 Ca 0.29 -0.28 0.06 0.00 -1.56 0.00 0.00 55.97 54.48 1htg s LYS 55 Cb 0.00 -3.45 -0.07 0.00 -1.46 0.00 0.00 37.83 32.85 1htg s LYS 55 CO 0.13 0.14 0.02 0.14 0.16 0.00 0.00 175.35 175.94 1htg s VAL 56 N 0.80 1.72 -0.15 4.02 -7.23 0.17 -4.79 120.40 114.94 1htg s VAL 56 Ca 0.07 -2.01 -0.13 0.00 -1.81 0.00 0.00 61.98 58.09 1htg s VAL 56 Cb -0.13 -2.90 -0.05 0.00 0.56 0.00 0.00 36.38 33.87 1htg s VAL 56 CO 0.02 -0.02 0.28 -0.13 -0.31 0.00 0.00 175.10 174.94 1htg s ARG 57 N -3.77 4.17 -0.34 4.82 0.52 -0.53 -1.61 118.95 122.21 1htg s ARG 57 Ca 0.35 0.09 -0.11 0.00 -0.52 0.00 0.00 55.73 55.54 1htg s ARG 57 Cb 0.09 -3.39 -0.00 0.00 0.52 0.00 0.00 34.95 32.17 1htg s ARG 57 CO 0.17 0.32 0.20 -1.14 0.02 0.00 0.00 175.30 174.87 1htg s GLN 58 N 0.23 3.24 -0.14 3.54 0.74 0.79 -1.18 119.66 126.87 1htg s GLN 58 Ca 0.16 -0.80 -0.04 0.00 0.05 0.00 0.00 55.36 54.73 1htg s GLN 58 Cb -0.13 -3.70 -0.03 0.00 1.10 0.00 0.00 33.01 30.25 1htg s GLN 58 CO 0.04 -0.51 -0.00 0.71 -0.55 0.00 0.00 175.29 174.98 1htg s TYR 59 N 1.64 3.11 0.34 1.67 1.51 -0.71 -1.37 117.35 123.55 1htg s TYR 59 Ca 0.04 -0.08 0.00 0.00 -1.01 0.00 0.00 57.07 56.02 1htg s TYR 59 Cb -0.18 -1.95 -0.03 0.00 -0.11 0.00 0.00 41.96 39.69 1htg s TYR 59 CO 0.08 0.14 0.55 -0.51 -1.11 0.00 0.00 175.55 174.70 1htg s ASP 60 N 0.05 6.30 -1.51 2.29 1.01 -1.26 -1.88 116.67 121.68 1htg s ASP 60 Ca 0.02 0.48 -0.09 0.00 0.71 0.00 0.00 52.55 53.67 1htg s ASP 60 Cb -0.13 -2.04 0.07 0.00 1.01 0.00 0.00 42.92 41.82 1htg s ASP 60 CO 0.02 -0.29 0.69 0.00 0.21 0.00 0.00 175.17 175.80 1htg n GLN 61 N -1.73 -4.01 -3.34 8.23 1.13 -1.18 -4.90 117.38 111.58 1htg n GLN 61 Ca -0.04 0.47 -0.38 0.00 -1.94 0.00 0.00 57.00 55.10 1htg n GLN 61 Cb 0.56 -5.00 -0.06 0.00 0.11 0.00 0.00 30.24 25.85 1htg n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1htg s ILE 62 N -3.58 4.89 -0.14 5.09 -1.09 0.78 -4.66 121.20 122.51 1htg s ILE 62 Ca 0.37 1.09 -0.20 0.00 -2.23 0.00 0.00 60.65 59.68 1htg s ILE 62 Cb -0.19 -3.84 -0.04 0.00 -1.58 0.00 0.00 42.46 36.81 1htg s ILE 62 CO 0.88 0.52 0.57 -0.22 -1.23 0.00 0.00 174.94 175.45 1htg s LEU 63 N -0.81 4.24 -0.05 2.97 2.96 -1.26 -0.17 118.68 126.56 1htg s LEU 63 Ca 0.27 0.88 0.05 0.00 -0.22 0.00 0.00 54.13 55.11 1htg s LEU 63 Cb -0.18 -2.82 -0.01 0.00 0.50 0.00 0.00 46.19 43.68 1htg s LEU 63 CO 0.16 -0.11 -0.21 -0.63 -1.32 0.00 0.00 176.35 174.24 1htg s ILE 64 N 1.10 1.72 -0.17 6.68 1.09 -0.24 -4.56 121.20 126.81 1htg s ILE 64 Ca 0.29 -0.88 -0.07 0.00 -1.10 0.00 0.00 60.65 58.89 1htg s ILE 64 Cb -0.16 -1.47 -0.04 0.00 -1.06 0.00 0.00 42.46 39.73 1htg s ILE 64 CO 0.12 0.49 0.07 -1.83 -0.10 0.00 0.00 174.94 173.69 1htg s GLU 65 N -0.04 3.90 -0.20 2.79 -1.05 -0.64 -0.47 118.70 122.99 1htg s GLU 65 Ca -0.04 -0.32 -0.02 0.00 -0.15 0.00 0.00 54.97 54.44 1htg s GLU 65 Cb -0.13 -3.21 -0.00 0.00 -0.44 0.00 0.00 34.13 30.35 1htg s GLU 65 CO 0.03 0.34 -0.09 0.42 0.95 0.00 0.00 175.26 176.92 1htg s ILE 66 N 0.18 3.05 -1.42 1.83 1.01 0.10 -1.24 121.20 124.71 1htg s ILE 66 Ca 0.05 -0.61 -0.03 0.00 0.00 0.00 0.00 60.65 60.06 1htg s ILE 66 Cb -0.12 -2.35 0.00 0.00 0.01 0.00 0.00 42.46 40.00 1htg s ILE 66 CO 0.00 0.46 0.33 0.00 0.00 0.00 0.00 174.94 175.74 1htg n GLY 68 N -2.14 0.16 3.42 0.00 0.00 -1.26 -4.95 105.19 100.41 1htg n GLY 68 Ca -0.30 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.39 1htg n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1htg s HIS 69 N -1.43 2.92 -0.06 1.61 3.76 0.16 -5.08 115.29 117.17 1htg s HIS 69 Ca 0.00 -0.52 -0.03 0.00 -0.15 0.00 0.00 55.06 54.35 1htg s HIS 69 Cb 0.00 -1.92 -0.04 0.00 1.11 0.00 0.00 32.58 31.73 1htg s HIS 69 CO 0.00 -0.17 0.09 -1.59 -0.85 0.00 0.00 174.74 172.22 1htg s LYS 70 N 0.49 3.21 0.08 1.40 -2.85 -1.26 0.03 119.74 120.84 1htg s LYS 70 Ca -0.06 -0.34 0.05 0.00 -1.00 0.00 0.00 55.97 54.63 1htg s LYS 70 Cb -0.15 -2.98 -0.03 0.00 -2.06 0.00 0.00 37.83 32.61 1htg s LYS 70 CO 0.03 0.71 -0.15 0.00 0.10 0.00 0.00 175.35 176.04 1htg s ALA 71 N -1.09 1.25 -0.14 0.59 0.00 0.38 -4.92 121.76 117.83 1htg s ALA 71 Ca 0.19 -1.05 -0.01 0.00 0.00 0.00 0.00 51.96 51.09 1htg s ALA 71 Cb -0.12 -0.11 0.04 0.00 0.00 0.00 0.00 23.12 22.93 1htg s ALA 71 CO 0.09 0.17 -0.03 0.42 0.00 0.00 0.00 175.76 176.41 1htg s ILE 72 N -1.36 0.84 0.00 0.00 1.01 -1.26 -1.08 121.20 119.35 1htg s ILE 72 Ca -0.00 -0.37 0.00 0.00 0.00 0.00 0.00 60.65 60.27 1htg s ILE 72 Cb -0.09 -1.02 0.00 0.00 0.01 0.00 0.00 42.46 41.35 1htg s ILE 72 CO 0.02 0.16 0.00 0.61 0.00 0.00 0.00 174.94 175.73 1htg n GLY 73 N 4.98 1.10 3.69 6.18 0.00 0.76 -4.80 105.19 117.10 1htg n GLY 73 Ca -0.10 -0.67 -0.42 0.00 0.00 0.00 0.00 46.02 44.83 1htg n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1htg s THR 74 N -2.21 4.46 -0.04 2.61 2.01 -1.26 -0.15 115.64 121.05 1htg s THR 74 Ca 0.00 1.76 0.04 0.00 0.31 0.00 0.00 61.69 63.80 1htg s THR 74 Cb 0.00 -4.13 -0.00 0.00 0.01 0.00 0.00 72.50 68.38 1htg s THR 74 CO 0.00 0.02 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.10 1htg s VAL 75 N 1.94 1.41 -0.08 3.82 1.01 -0.79 -4.38 120.40 123.34 1htg s VAL 75 Ca 0.53 -0.71 -0.04 0.00 0.00 0.00 0.00 61.98 61.77 1htg s VAL 75 Cb -0.23 -1.21 -0.04 0.00 0.00 0.00 0.00 36.38 34.90 1htg s VAL 75 CO 0.22 0.41 0.08 -0.76 0.00 0.00 0.00 175.10 175.05 1htg s LEU 76 N 0.03 4.02 -0.03 3.92 1.43 0.65 -1.73 118.68 126.97 1htg s LEU 76 Ca -0.03 0.29 0.07 0.00 -1.03 0.00 0.00 54.13 53.42 1htg s LEU 76 Cb -0.11 -2.06 -0.01 0.00 0.03 0.00 0.00 46.19 44.03 1htg s LEU 76 CO 0.02 0.36 -0.23 -0.69 0.23 0.00 0.00 176.35 176.04 1htg s VAL 77 N -1.03 1.86 -1.81 -1.59 1.01 -0.33 0.64 120.40 119.16 1htg s VAL 77 Ca 0.17 -0.99 0.00 0.00 0.00 0.00 0.00 61.98 61.16 1htg s VAL 77 Cb -0.12 -1.56 0.00 0.00 0.00 0.00 0.00 36.38 34.71 1htg s VAL 77 CO 0.06 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.30 1htg n GLY 78 N 2.70 -1.53 3.36 4.51 0.00 -0.94 -1.46 105.19 111.83 1htg n GLY 78 Ca -0.16 -1.04 -0.43 0.00 0.00 0.00 0.00 46.02 44.39 1htg n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1htg n PRO 79 N -0.18 3.15 -3.94 1.61 -0.04 -1.26 -3.56 135.00 130.77 1htg n PRO 79 Ca 0.00 -3.18 -0.31 0.00 -0.04 0.00 0.00 63.50 59.98 1htg n PRO 79 Cb 0.00 -3.40 -0.04 0.00 -0.04 0.00 0.00 33.50 30.02 1htg n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1htg s THR 80 N 3.68 5.28 0.44 0.52 -1.32 -1.26 -4.99 115.64 117.99 1htg s THR 80 Ca 0.51 -0.46 0.17 0.00 -1.21 0.00 0.00 61.69 60.71 1htg s THR 80 Cb 0.06 -3.58 0.20 0.00 -1.51 0.00 0.00 72.50 67.67 1htg s THR 80 CO 0.03 0.12 2.00 -0.65 -2.21 0.00 0.00 174.62 173.92 1htg h PRO 81 N 3.04 0.00 -3.72 7.08 0.11 -1.99 -3.45 132.00 133.08 1htg h PRO 81 Ca -0.45 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.54 1htg h PRO 81 Cb 1.16 0.00 -0.17 0.00 0.11 0.00 0.00 31.00 32.10 1htg h PRO 81 CO 0.74 0.18 -0.48 0.14 -0.21 0.00 0.00 178.00 178.37 1htg s VAL 82 N -4.53 0.12 0.29 3.15 -7.23 -1.26 -5.09 120.40 105.86 1htg s VAL 82 Ca -0.04 -1.03 -0.29 0.00 -1.81 0.00 0.00 61.98 58.81 1htg s VAL 82 Cb 0.15 -0.91 -0.10 0.00 0.56 0.00 0.00 36.38 36.08 1htg s VAL 82 CO 0.67 -0.57 1.41 0.20 -0.31 0.00 0.00 175.10 176.50 1htg s ASN 83 N -2.12 6.65 -0.14 4.85 0.01 -1.26 -4.70 114.94 118.23 1htg s ASN 83 Ca -0.05 2.72 0.00 0.00 -0.71 0.00 0.00 52.86 54.83 1htg s ASN 83 Cb -0.01 -2.64 0.02 0.00 0.41 0.00 0.00 41.25 39.03 1htg s ASN 83 CO -0.04 -0.67 -0.13 -0.63 -1.51 0.00 0.00 177.10 174.11 1htg s ILE 84 N -0.47 1.47 -0.43 0.60 1.01 0.59 -1.11 121.20 122.86 1htg s ILE 84 Ca 0.55 -0.58 -0.20 0.00 0.00 0.00 0.00 60.65 60.43 1htg s ILE 84 Cb -0.42 -1.38 0.02 0.00 0.01 0.00 0.00 42.46 40.69 1htg s ILE 84 CO 0.48 0.44 0.61 -0.63 0.00 0.00 0.00 174.94 175.84 1htg s ILE 85 N 1.43 4.87 0.29 2.92 -1.09 -0.07 -1.15 121.20 128.41 1htg s ILE 85 Ca 0.03 0.10 0.04 0.00 -2.23 0.00 0.00 60.65 58.59 1htg s ILE 85 Cb -0.13 -4.16 0.05 0.00 -1.58 0.00 0.00 42.46 36.63 1htg s ILE 85 CO -0.09 -0.54 0.40 0.61 -1.23 0.00 0.00 174.94 174.10 1htg n GLY 86 N 5.01 1.88 0.27 6.18 0.00 -1.22 -0.81 105.19 116.50 1htg n GLY 86 Ca -0.02 -2.17 0.10 0.00 0.00 0.00 0.00 46.02 43.93 1htg n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1htg h ARG 87 N 0.00 0.00 -0.83 1.61 3.08 -0.35 -2.14 114.38 115.76 1htg h ARG 87 Ca -0.13 0.00 0.06 0.00 0.07 0.00 0.00 59.98 59.98 1htg h ARG 87 Cb 0.61 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.61 1htg h ARG 87 CO 0.19 0.00 0.54 -2.95 -1.07 0.00 0.00 179.97 176.68 1htg h ASN 88 N 0.00 0.80 0.36 7.04 -1.07 -1.74 -2.22 115.58 118.76 1htg h ASN 88 Ca 0.00 0.00 -0.25 0.00 0.07 0.00 0.00 56.30 56.12 1htg h ASN 88 Cb 0.01 -0.17 -0.05 0.00 -2.07 0.00 0.00 38.32 36.05 1htg h ASN 88 CO -0.00 0.52 -1.86 0.18 0.07 0.00 0.00 177.43 176.34 1htg n LEU 89 N -4.48 0.52 -0.30 6.14 4.77 -1.02 -3.90 117.00 118.72 1htg n LEU 89 Ca 0.12 0.24 0.03 0.00 -0.03 0.00 0.00 56.01 56.37 1htg n LEU 89 Cb 0.20 0.23 0.23 0.00 -2.33 0.00 0.00 43.42 41.75 1htg n LEU 89 CO 0.33 0.31 1.25 -0.07 -1.33 0.00 0.00 177.39 177.89 1htg h LEU 90 N 0.00 0.92 -1.41 2.23 3.38 -1.28 -1.87 115.31 117.28 1htg h LEU 90 Ca -0.31 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.61 1htg h LEU 90 Cb 1.87 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 42.41 1htg h LEU 90 CO 0.05 0.60 -0.25 0.71 0.09 0.00 0.00 178.44 179.64 1htg h THR 91 N 1.05 1.20 0.00 0.22 1.35 -1.57 -0.02 112.91 115.14 1htg h THR 91 Ca 0.38 -0.94 -0.11 0.00 -0.55 0.00 0.00 66.41 65.20 1htg h THR 91 Cb 0.15 1.44 -0.02 0.00 -1.73 0.00 0.00 68.15 68.00 1htg h THR 91 CO -0.14 0.27 -0.51 1.56 -0.25 0.00 0.00 175.52 176.45 1htg h GLN 92 N 0.07 0.00 -0.30 4.72 4.20 -1.46 -2.85 115.11 119.49 1htg h GLN 92 Ca 0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.72 1htg h GLN 92 Cb 0.48 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.26 1htg h GLN 92 CO 0.03 0.51 0.00 0.44 -0.67 0.00 0.00 178.83 179.15 1htg n ILE 93 N -3.77 0.38 -1.61 2.54 -5.35 -1.03 -4.94 119.36 105.59 1htg n ILE 93 Ca -0.01 -0.55 -0.02 0.00 -0.27 0.00 0.00 62.75 61.91 1htg n ILE 93 Cb 0.55 0.61 -0.00 0.00 -1.74 0.00 0.00 39.64 39.06 1htg n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1htg n GLY 94 N 1.30 0.39 3.71 3.28 0.00 -1.04 -5.01 105.19 107.83 1htg n GLY 94 Ca 0.17 -0.91 -0.42 0.00 0.00 0.00 0.00 46.02 44.86 1htg n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1htg s THR 96 N 1.10 2.05 -0.12 0.00 -4.23 -1.26 -4.69 115.64 108.49 1htg s THR 96 Ca 0.57 -2.04 -0.19 0.00 -1.18 0.00 0.00 61.69 58.86 1htg s THR 96 Cb -0.28 -2.00 -0.04 0.00 1.34 0.00 0.00 72.50 71.52 1htg s THR 96 CO 0.29 -0.29 0.49 -0.76 -0.54 0.00 0.00 174.62 173.81 1htg s LEU 97 N -2.82 4.27 -0.03 4.79 1.43 -1.26 -5.08 118.68 119.97 1htg s LEU 97 Ca 0.19 0.83 0.02 0.00 -1.03 0.00 0.00 54.13 54.15 1htg s LEU 97 Cb -0.06 -2.72 0.01 0.00 0.03 0.00 0.00 46.19 43.45 1htg s LEU 97 CO 0.09 -0.02 -0.10 0.20 0.23 0.00 0.00 176.35 176.75 1htg s ASN 98 N 0.67 1.33 0.00 2.29 0.01 -1.26 -5.29 114.94 112.69 1htg s ASN 98 Ca 0.27 -0.21 0.00 0.00 -0.71 0.00 0.00 52.86 52.21 1htg s ASN 98 Cb -0.15 -0.41 0.00 0.00 0.41 0.00 0.00 41.25 41.09 1htg s ASN 98 CO 0.11 0.06 0.00 2.22 -1.51 0.00 0.00 177.10 177.98