#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hte s GLN 2 N 0.00 2.95 -0.16 0.54 -0.44 -1.26 -5.12 119.66 116.17 1hte s GLN 2 Ca 0.00 -0.88 0.00 0.00 -2.50 0.00 0.00 55.36 51.99 1hte s GLN 2 Cb 0.00 -2.74 -0.00 0.00 -1.64 0.00 0.00 33.01 28.63 1hte s GLN 2 CO 0.00 -0.28 -0.15 0.42 0.50 0.00 0.00 175.29 175.79 1hte s ILE 3 N 1.31 2.67 0.50 -2.34 1.01 -1.26 -5.11 121.20 117.97 1hte s ILE 3 Ca 0.03 -0.76 -0.04 0.00 0.00 0.00 0.00 60.65 59.88 1hte s ILE 3 Cb -0.15 -2.13 -0.01 0.00 0.01 0.00 0.00 42.46 40.18 1hte s ILE 3 CO -0.09 0.51 0.78 0.42 0.00 0.00 0.00 174.94 176.56 1hte s THR 4 N 0.89 4.33 -1.61 2.92 -4.23 -1.26 -5.05 115.64 111.63 1hte s THR 4 Ca -0.04 -0.07 0.17 0.00 -1.18 0.00 0.00 61.69 60.58 1hte s THR 4 Cb -0.15 -3.65 0.44 0.00 1.34 0.00 0.00 72.50 70.47 1hte s THR 4 CO -0.01 -0.59 1.36 0.18 -0.54 0.00 0.00 174.62 175.01 1hte n LEU 5 N -2.29 3.33 -0.20 4.79 4.77 -1.26 -4.39 117.00 121.76 1hte n LEU 5 Ca 0.02 -1.84 -0.09 0.00 -0.03 0.00 0.00 56.01 54.06 1hte n LEU 5 Cb 0.57 -0.31 0.03 0.00 -2.33 0.00 0.00 43.42 41.37 1hte n LEU 5 CO 0.51 0.80 0.80 -0.50 -1.33 0.00 0.00 177.39 177.68 1hte h TRP 6 N 3.30 1.15 -2.51 -1.77 4.06 -2.06 -3.41 115.95 114.71 1hte h TRP 6 Ca 0.00 -0.21 -0.53 0.00 2.06 0.00 0.00 58.89 60.21 1hte h TRP 6 Cb 0.85 -0.30 -0.03 0.00 -1.00 0.00 0.00 29.16 28.69 1hte h TRP 6 CO 0.31 1.03 -0.47 -0.65 -3.56 0.00 0.00 178.44 175.10 1hte s GLN 7 N -4.97 3.38 0.37 0.49 -0.21 -1.26 -5.07 119.66 112.38 1hte s GLN 7 Ca -0.12 -0.66 -0.28 0.00 0.02 0.00 0.00 55.36 54.32 1hte s GLN 7 Cb 0.14 -2.91 -0.11 0.00 1.00 0.00 0.00 33.01 31.12 1hte s GLN 7 CO 0.86 0.50 1.49 1.03 -2.12 0.00 0.00 175.29 177.05 1hte s ARG 8 N -3.35 4.12 -1.13 2.91 0.52 -1.26 -4.87 118.95 115.89 1hte s ARG 8 Ca 0.34 2.56 -0.14 0.00 -0.52 0.00 0.00 55.73 57.98 1hte s ARG 8 Cb -0.11 -2.98 -0.07 0.00 0.52 0.00 0.00 34.95 32.32 1hte s ARG 8 CO 0.28 -0.54 2.22 -0.35 0.02 0.00 0.00 175.30 176.94 1hte n PRO 9 N 0.64 2.36 -3.03 3.54 -0.04 -1.26 -4.97 135.00 132.24 1hte n PRO 9 Ca 0.02 -2.00 -0.36 0.00 -0.04 0.00 0.00 63.50 61.12 1hte n PRO 9 Cb 0.39 -2.88 -0.06 0.00 -0.04 0.00 0.00 33.50 30.91 1hte n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1hte s LEU 10 N 1.01 4.29 0.04 1.53 1.43 -1.26 -2.20 118.68 123.51 1hte s LEU 10 Ca 0.52 1.49 -0.01 0.00 -1.03 0.00 0.00 54.13 55.10 1hte s LEU 10 Cb 0.14 -3.78 -0.03 0.00 0.03 0.00 0.00 46.19 42.55 1hte s LEU 10 CO -0.00 -0.04 -0.02 0.68 0.23 0.00 0.00 176.35 177.20 1hte s VAL 11 N -1.63 0.16 -0.14 -1.59 -7.23 -0.74 -4.96 120.40 104.28 1hte s VAL 11 Ca 0.47 -1.36 -0.27 0.00 -1.81 0.00 0.00 61.98 59.01 1hte s VAL 11 Cb -0.16 -0.91 -0.01 0.00 0.56 0.00 0.00 36.38 35.85 1hte s VAL 11 CO 0.21 -0.75 0.90 -0.89 -0.31 0.00 0.00 175.10 174.26 1hte s THR 12 N -2.73 4.85 0.43 5.32 2.01 -1.26 -0.11 115.64 124.15 1hte s THR 12 Ca -0.04 1.80 0.08 0.00 0.31 0.00 0.00 61.69 63.83 1hte s THR 12 Cb -0.01 -4.21 -0.01 0.00 0.01 0.00 0.00 72.50 68.28 1hte s THR 12 CO -0.06 0.03 0.40 0.27 -0.69 0.00 0.00 174.62 174.57 1hte s ILE 13 N 2.00 2.59 -0.33 1.82 -4.36 -0.42 -0.99 121.20 121.51 1hte s ILE 13 Ca 0.42 -1.33 0.01 0.00 -0.26 0.00 0.00 60.65 59.50 1hte s ILE 13 Cb -0.17 -2.92 0.14 0.00 1.25 0.00 0.00 42.46 40.76 1hte s ILE 13 CO 0.15 0.00 0.32 -0.75 0.24 0.00 0.00 174.94 174.90 1hte s LYS 14 N -4.16 0.46 -0.11 0.37 2.20 0.32 -2.83 119.74 115.99 1hte s LYS 14 Ca 0.48 -0.50 -0.01 0.00 -0.36 0.00 0.00 55.97 55.58 1hte s LYS 14 Cb -0.03 -0.72 -0.03 0.00 -1.51 0.00 0.00 37.83 35.54 1hte s LYS 14 CO 0.28 -1.11 -0.05 -1.50 -0.36 0.00 0.00 175.35 172.62 1hte s ILE 15 N 1.92 3.86 -1.55 5.43 2.07 -0.85 -2.48 121.20 129.60 1hte s ILE 15 Ca 0.13 -0.40 0.00 0.00 -1.41 0.00 0.00 60.65 58.97 1hte s ILE 15 Cb -0.15 -2.63 0.00 0.00 0.13 0.00 0.00 42.46 39.81 1hte s ILE 15 CO -0.19 0.56 0.00 0.61 -1.91 0.00 0.00 174.94 174.01 1hte n GLY 16 N 2.74 1.39 0.71 1.50 0.00 -1.26 -1.81 105.19 108.46 1hte n GLY 16 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1hte n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hte n GLY 17 N -0.24 0.68 3.61 -0.02 0.00 -1.26 -5.07 105.19 102.89 1hte n GLY 17 Ca -0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.56 1hte n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1hte s GLN 18 N -0.74 2.50 0.21 1.61 1.11 -0.75 -5.11 119.66 118.49 1hte s GLN 18 Ca 0.00 -0.78 -0.21 0.00 0.01 0.00 0.00 55.36 54.39 1hte s GLN 18 Cb 0.00 -2.49 -0.08 0.00 -1.01 0.00 0.00 33.01 29.43 1hte s GLN 18 CO 0.00 0.58 0.73 -0.51 0.01 0.00 0.00 175.29 176.10 1hte s LEU 19 N -1.66 4.39 0.07 2.90 2.01 -1.26 -2.01 118.68 123.11 1hte s LEU 19 Ca 0.19 1.46 -0.12 0.00 0.01 0.00 0.00 54.13 55.67 1hte s LEU 19 Cb -0.11 -3.53 0.01 0.00 0.01 0.00 0.00 46.19 42.57 1hte s LEU 19 CO 0.10 0.07 0.26 -0.54 1.01 0.00 0.00 176.35 177.25 1hte s LYS 20 N -1.82 0.84 -0.17 1.70 1.02 -1.13 -5.00 119.74 115.18 1hte s LYS 20 Ca 0.41 -0.72 -0.08 0.00 0.02 0.00 0.00 55.97 55.61 1hte s LYS 20 Cb -0.18 0.36 -0.04 0.00 -0.52 0.00 0.00 37.83 37.44 1hte s LYS 20 CO 0.22 -0.28 0.10 -1.21 -0.92 0.00 0.00 175.35 173.26 1hte s GLU 21 N -3.21 3.90 0.28 1.68 2.02 -1.26 -1.31 118.70 120.81 1hte s GLU 21 Ca -0.00 -0.26 0.07 0.00 0.02 0.00 0.00 54.97 54.79 1hte s GLU 21 Cb 0.02 -3.26 -0.06 0.00 0.10 0.00 0.00 34.13 30.93 1hte s GLU 21 CO -0.07 0.40 -0.05 0.00 0.02 0.00 0.00 175.26 175.55 1hte s ALA 22 N 0.04 2.36 -0.17 5.21 0.00 0.84 -4.58 121.76 125.47 1hte s ALA 22 Ca 0.08 -1.91 -0.11 0.00 0.00 0.00 0.00 51.96 50.02 1hte s ALA 22 Cb -0.12 0.20 -0.05 0.00 0.00 0.00 0.00 23.12 23.16 1hte s ALA 22 CO 0.00 -0.08 0.18 -1.17 0.00 0.00 0.00 175.76 174.69 1hte s LEU 23 N -3.45 4.26 -0.36 0.00 2.96 0.38 -1.79 118.68 120.67 1hte s LEU 23 Ca 0.30 0.36 -0.29 0.00 -0.22 0.00 0.00 54.13 54.28 1hte s LEU 23 Cb 0.04 -2.17 0.01 0.00 0.50 0.00 0.00 46.19 44.57 1hte s LEU 23 CO 0.12 0.20 1.20 -0.76 -1.32 0.00 0.00 176.35 175.80 1hte s LEU 24 N 0.10 3.81 -0.22 -0.68 1.43 -0.93 -1.44 118.68 120.75 1hte s LEU 24 Ca 0.12 0.94 -0.02 0.00 -1.03 0.00 0.00 54.13 54.14 1hte s LEU 24 Cb -0.12 -3.54 0.07 0.00 0.03 0.00 0.00 46.19 42.63 1hte s LEU 24 CO 0.01 -1.10 0.05 -0.62 0.23 0.00 0.00 176.35 174.92 1hte s ASP 25 N 2.47 3.20 0.04 2.29 -1.08 -1.02 -4.81 116.67 117.75 1hte s ASP 25 Ca 0.51 -1.02 0.22 0.00 -0.52 0.00 0.00 52.55 51.75 1hte s ASP 25 Cb -0.13 -0.66 -0.08 0.00 -1.46 0.00 0.00 42.92 40.60 1hte s ASP 25 CO 0.24 -0.33 0.89 0.35 0.52 0.00 0.00 175.17 176.83 1hte n THR 26 N 5.01 0.15 1.03 1.71 -2.24 -1.26 -3.51 114.28 115.17 1hte n THR 26 Ca -0.08 -0.30 0.14 0.00 -2.27 0.00 0.00 64.05 61.54 1hte n THR 26 Cb 0.46 0.20 0.59 0.00 -2.10 0.00 0.00 70.33 69.48 1hte n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1hte n GLY 27 N 1.34 -1.45 3.58 3.38 0.00 -1.26 -4.75 105.19 106.04 1hte n GLY 27 Ca 0.01 -0.13 -0.34 0.00 0.00 0.00 0.00 46.02 45.55 1hte n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hte s ALA 28 N -2.96 3.28 0.08 4.61 0.00 -1.23 -5.00 121.76 120.54 1hte s ALA 28 Ca 0.15 -0.80 -0.29 0.00 0.00 0.00 0.00 51.96 51.02 1hte s ALA 28 Cb 0.19 -1.85 -0.17 0.00 0.00 0.00 0.00 23.12 21.29 1hte s ALA 28 CO 0.54 0.12 1.67 -0.44 0.00 0.00 0.00 175.76 177.66 1hte h ASP 29 N 6.84 -0.48 -1.59 0.00 3.32 -1.88 0.45 116.42 123.08 1hte h ASP 29 Ca -0.35 0.02 -0.52 0.00 0.02 0.00 0.00 57.03 56.19 1hte h ASP 29 Cb 1.17 0.13 -0.05 0.00 0.22 0.00 0.00 39.33 40.80 1hte h ASP 29 CO 0.67 -0.34 -0.44 -1.81 -1.72 0.00 0.00 179.24 175.61 1hte s ASP 30 N -4.71 4.82 -0.29 6.45 1.01 -1.26 -2.07 116.67 120.62 1hte s ASP 30 Ca -0.16 -0.85 -0.19 0.00 0.71 0.00 0.00 52.55 52.07 1hte s ASP 30 Cb 0.04 -0.58 -0.02 0.00 1.01 0.00 0.00 42.92 43.38 1hte s ASP 30 CO 0.64 -0.57 0.56 -0.89 0.21 0.00 0.00 175.17 175.12 1hte s THR 31 N -2.50 5.01 -0.23 -1.27 2.01 -1.26 -3.14 115.64 114.25 1hte s THR 31 Ca 0.44 0.80 0.02 0.00 0.31 0.00 0.00 61.69 63.26 1hte s THR 31 Cb -0.01 -3.92 0.04 0.00 0.01 0.00 0.00 72.50 68.63 1hte s THR 31 CO 0.26 -0.05 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.30 1hte s VAL 32 N 2.44 2.14 0.29 3.82 1.01 -0.56 -1.44 120.40 128.10 1hte s VAL 32 Ca 0.22 -1.33 0.07 0.00 0.00 0.00 0.00 61.98 60.94 1hte s VAL 32 Cb -0.15 -2.11 -0.03 0.00 0.00 0.00 0.00 36.38 34.09 1hte s VAL 32 CO 0.11 0.22 0.30 -0.76 0.00 0.00 0.00 175.10 174.97 1hte s LEU 33 N 1.18 3.86 0.59 3.92 1.43 0.19 0.67 118.68 130.53 1hte s LEU 33 Ca -0.03 -0.27 -0.14 0.00 -1.03 0.00 0.00 54.13 52.66 1hte s LEU 33 Cb -0.17 -2.46 -0.04 0.00 0.03 0.00 0.00 46.19 43.55 1hte s LEU 33 CO -0.08 -0.22 1.03 -1.61 0.23 0.00 0.00 176.35 175.70 1hte s GLU 34 N -3.97 3.46 -0.24 1.70 2.02 -1.25 -1.94 118.70 118.48 1hte s GLU 34 Ca 0.38 1.03 -0.31 0.00 0.02 0.00 0.00 54.97 56.08 1hte s GLU 34 Cb -0.08 -2.06 -0.14 0.00 0.10 0.00 0.00 34.13 31.95 1hte s GLU 34 CO 0.27 -0.68 0.99 0.39 0.02 0.00 0.00 175.26 176.25 1hte n GLU 35 N -2.20 0.00 -3.84 1.61 -0.58 -1.22 -4.64 120.64 109.76 1hte n GLU 35 Ca 0.08 0.00 -0.07 0.00 -0.42 0.00 0.00 57.16 56.75 1hte n GLU 35 Cb 0.53 -1.04 -0.01 0.00 -0.57 0.00 0.00 31.44 30.35 1hte n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1hte s MET 36 N 1.41 1.80 -1.02 3.49 0.23 -1.26 -5.04 119.30 118.92 1hte s MET 36 Ca 0.70 -1.04 -0.17 0.00 -1.03 0.00 0.00 55.69 54.15 1hte s MET 36 Cb -0.99 0.59 0.15 0.00 -1.53 0.00 0.00 34.83 33.04 1hte s MET 36 CO 0.51 -0.83 1.22 -1.12 -2.03 0.00 0.00 175.02 172.77 1hte s SER 37 N -2.96 6.77 0.39 -1.18 0.01 -1.26 -5.02 113.70 110.44 1hte s SER 37 Ca 0.12 -2.36 -0.14 0.00 1.31 0.00 0.00 55.95 54.88 1hte s SER 37 Cb -0.05 -2.40 -0.08 0.00 0.21 0.00 0.00 66.02 63.70 1hte s SER 37 CO 0.07 -0.95 0.80 -0.76 0.41 0.00 0.00 173.24 172.81 1hte s LEU 38 N 2.29 3.91 0.02 2.44 1.43 -1.26 -5.03 118.68 122.47 1hte s LEU 38 Ca 0.36 1.29 -0.30 0.00 -1.03 0.00 0.00 54.13 54.45 1hte s LEU 38 Cb -0.04 -4.15 -0.04 0.00 0.03 0.00 0.00 46.19 42.00 1hte s LEU 38 CO -0.06 -0.34 0.96 -2.16 0.23 0.00 0.00 176.35 174.97 1hte s PRO 39 N -3.47 4.58 1.92 1.29 0.05 -1.26 -4.92 135.00 133.18 1hte s PRO 39 Ca 0.54 1.39 0.00 0.00 0.05 0.00 0.00 61.00 62.98 1hte s PRO 39 Cb -0.10 -3.44 0.00 0.00 0.05 0.00 0.00 34.50 31.01 1hte s PRO 39 CO 0.24 0.01 0.00 0.41 0.05 0.00 0.00 177.00 177.71 1hte n GLY 40 N 2.79 0.07 3.94 0.56 0.00 -1.26 -4.94 105.19 106.34 1hte n GLY 40 Ca 0.05 -1.36 -0.24 0.00 0.00 0.00 0.00 46.02 44.47 1hte n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1hte s ARG 41 N 0.00 2.94 0.11 1.61 0.52 -1.26 -5.10 118.95 117.76 1hte s ARG 41 Ca 0.00 -0.29 -0.01 0.00 -0.52 0.00 0.00 55.73 54.91 1hte s ARG 41 Cb 0.00 -2.42 -0.04 0.00 0.52 0.00 0.00 34.95 33.01 1hte s ARG 41 CO 0.00 -0.52 0.02 1.67 0.02 0.00 0.00 175.30 176.49 1hte s TRP 42 N -2.78 0.77 0.10 -0.53 1.48 -1.26 -4.60 118.94 112.12 1hte s TRP 42 Ca 0.52 -1.16 0.03 0.00 -1.06 0.00 0.00 56.10 54.42 1hte s TRP 42 Cb -0.10 -0.46 -0.04 0.00 -1.16 0.00 0.00 33.47 31.70 1hte s TRP 42 CO 0.41 -0.45 -0.08 -1.59 -4.06 0.00 0.00 176.95 171.19 1hte s LYS 43 N -3.99 0.86 0.01 3.25 -2.85 -1.10 -4.92 119.74 111.00 1hte s LYS 43 Ca 0.18 -1.30 -0.13 0.00 -1.00 0.00 0.00 55.97 53.72 1hte s LYS 43 Cb 0.08 -0.33 -0.06 0.00 -2.06 0.00 0.00 37.83 35.46 1hte s LYS 43 CO -0.02 0.02 0.39 -1.25 0.10 0.00 0.00 175.35 174.59 1hte s PRO 44 N -3.54 3.86 -0.04 1.78 0.04 -1.26 0.12 135.00 135.96 1hte s PRO 44 Ca 0.11 0.34 0.02 0.00 0.04 0.00 0.00 61.00 61.51 1hte s PRO 44 Cb 0.03 -3.18 0.01 0.00 0.04 0.00 0.00 34.50 31.40 1hte s PRO 44 CO -0.03 0.67 -0.07 0.21 0.04 0.00 0.00 177.00 177.82 1hte s LYS 45 N -1.22 1.02 0.11 4.56 2.20 -1.14 -4.93 119.74 120.34 1hte s LYS 45 Ca 0.25 -0.23 -0.26 0.00 -0.36 0.00 0.00 55.97 55.38 1hte s LYS 45 Cb -0.16 -0.95 -0.07 0.00 -1.51 0.00 0.00 37.83 35.15 1hte s LYS 45 CO 0.14 0.01 0.79 -1.64 -0.36 0.00 0.00 175.35 174.28 1hte s MET 46 N 0.61 4.55 -0.13 4.03 -1.94 -1.26 0.58 119.30 125.75 1hte s MET 46 Ca -0.09 1.15 -0.05 0.00 -1.71 0.00 0.00 55.69 54.98 1hte s MET 46 Cb -0.13 -3.31 0.06 0.00 2.01 0.00 0.00 34.83 33.46 1hte s MET 46 CO 0.01 0.42 0.27 0.96 -0.01 0.00 0.00 175.02 176.68 1hte s ILE 47 N -0.61 -0.27 0.21 2.53 -4.36 0.10 -4.94 121.20 113.87 1hte s ILE 47 Ca 0.38 0.22 -0.03 0.00 -0.26 0.00 0.00 60.65 60.95 1hte s ILE 47 Cb -0.22 -0.44 -0.05 0.00 1.25 0.00 0.00 42.46 43.00 1hte s ILE 47 CO 0.25 0.09 0.43 -0.83 0.24 0.00 0.00 174.94 175.12 1hte s GLY 48 N 1.95 1.95 0.00 6.27 0.00 -1.26 -0.71 107.32 115.52 1hte s GLY 48 Ca -0.03 -0.67 0.00 0.00 0.00 0.00 0.00 44.72 44.01 1hte s GLY 48 CO -0.09 -0.60 0.00 0.61 0.00 0.00 0.00 173.10 173.02 1hte n GLY 49 N -0.51 5.43 0.18 0.20 0.00 -0.36 -4.91 105.19 105.22 1hte n GLY 49 Ca -0.03 -1.18 -0.06 0.00 0.00 0.00 0.00 46.02 44.75 1hte n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1hte h ILE 50 N 0.00 1.38 0.00 -0.61 2.10 -2.02 -2.89 117.51 115.46 1hte h ILE 50 Ca 0.00 -1.95 0.00 0.00 1.08 0.00 0.00 64.86 63.99 1hte h ILE 50 Cb 0.00 1.97 0.00 0.00 -1.09 0.00 0.00 36.82 37.70 1hte h ILE 50 CO 0.00 0.58 -0.34 1.23 -1.08 0.00 0.00 178.15 178.54 1hte h GLY 51 N 1.40 0.00 0.00 8.18 0.00 -2.02 -3.50 103.07 107.14 1hte h GLY 51 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 1hte h GLY 51 CO 0.10 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.25 1hte n GLY 52 N 1.24 0.27 3.83 4.60 0.00 -1.09 -5.10 105.19 108.94 1hte n GLY 52 Ca 0.04 -2.02 -0.34 0.00 0.00 0.00 0.00 46.02 43.69 1hte n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1hte s PHE 53 N -0.23 3.45 0.01 1.61 0.08 -1.26 -1.22 117.98 120.41 1hte s PHE 53 Ca 0.00 1.41 -0.10 0.00 0.12 0.00 0.00 56.93 58.36 1hte s PHE 53 Cb 0.00 -2.67 0.01 0.00 -0.57 0.00 0.00 43.02 39.79 1hte s PHE 53 CO 0.00 0.11 0.19 0.96 -0.10 0.00 0.00 175.22 176.38 1hte s ILE 54 N -1.90 0.09 -0.09 0.64 -4.36 0.11 -4.91 121.20 110.78 1hte s ILE 54 Ca 0.53 -0.71 -0.18 0.00 -0.26 0.00 0.00 60.65 60.04 1hte s ILE 54 Cb -0.12 -0.62 -0.04 0.00 1.25 0.00 0.00 42.46 42.92 1hte s ILE 54 CO 0.18 -0.39 0.49 -0.54 0.24 0.00 0.00 174.94 174.92 1hte s LYS 55 N -1.73 4.30 0.43 0.37 -0.14 -1.26 -0.72 119.74 120.99 1hte s LYS 55 Ca -0.12 0.49 0.03 0.00 -1.36 0.00 0.00 55.97 55.02 1hte s LYS 55 Cb -0.05 -3.41 -0.04 0.00 -1.68 0.00 0.00 37.83 32.65 1hte s LYS 55 CO 0.01 0.23 0.05 0.14 -0.76 0.00 0.00 175.35 175.01 1hte s VAL 56 N 0.39 1.17 -0.16 3.17 -7.23 0.20 -4.84 120.40 113.10 1hte s VAL 56 Ca 0.27 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.41 1hte s VAL 56 Cb -0.16 -2.49 -0.02 0.00 0.56 0.00 0.00 36.38 34.28 1hte s VAL 56 CO 0.12 0.00 -0.08 -0.13 -0.31 0.00 0.00 175.10 174.69 1hte s ARG 57 N -3.80 3.46 -0.13 4.82 0.52 -0.90 -2.90 118.95 120.01 1hte s ARG 57 Ca 0.22 -0.62 -0.01 0.00 -0.52 0.00 0.00 55.73 54.80 1hte s ARG 57 Cb 0.05 -2.81 -0.02 0.00 0.52 0.00 0.00 34.95 32.69 1hte s ARG 57 CO 0.11 0.11 -0.12 -1.14 0.02 0.00 0.00 175.30 174.28 1hte s GLN 58 N 0.67 3.43 -0.13 3.54 0.74 0.32 -0.64 119.66 127.58 1hte s GLN 58 Ca -0.04 -0.66 -0.01 0.00 0.05 0.00 0.00 55.36 54.70 1hte s GLN 58 Cb -0.15 -2.68 -0.02 0.00 1.10 0.00 0.00 33.01 31.26 1hte s GLN 58 CO 0.02 0.22 -0.11 0.71 -0.55 0.00 0.00 175.29 175.58 1hte s TYR 59 N 0.35 2.86 0.07 1.67 1.51 -0.34 -2.69 117.35 120.78 1hte s TYR 59 Ca -0.10 -0.53 0.02 0.00 -1.01 0.00 0.00 57.07 55.45 1hte s TYR 59 Cb -0.16 -1.86 -0.04 0.00 -0.11 0.00 0.00 41.96 39.79 1hte s TYR 59 CO 0.05 -0.14 0.11 -0.51 -1.11 0.00 0.00 175.55 173.95 1hte s ASP 60 N 0.29 5.76 -0.51 2.29 1.01 -1.26 -1.87 116.67 122.38 1hte s ASP 60 Ca -0.08 0.08 -0.26 0.00 0.71 0.00 0.00 52.55 53.00 1hte s ASP 60 Cb -0.15 -1.62 0.04 0.00 1.01 0.00 0.00 42.92 42.19 1hte s ASP 60 CO 0.05 0.18 0.65 0.00 0.21 0.00 0.00 175.17 176.26 1hte n GLN 61 N 0.49 -1.96 -4.26 8.23 10.64 -0.96 -4.92 117.38 124.65 1hte n GLN 61 Ca -0.08 1.51 -0.35 0.00 -1.83 0.00 0.00 57.00 56.25 1hte n GLN 61 Cb 0.52 -3.16 -0.10 0.00 -0.86 0.00 0.00 30.24 26.64 1hte n GLN 61 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.06 175.65 1hte s ILE 62 N -2.04 4.45 -0.50 -0.39 -1.09 0.80 -4.82 121.20 117.61 1hte s ILE 62 Ca 0.28 -0.18 -0.19 0.00 -2.23 0.00 0.00 60.65 58.33 1hte s ILE 62 Cb -0.04 -2.92 0.06 0.00 -1.58 0.00 0.00 42.46 37.98 1hte s ILE 62 CO 0.85 0.56 0.60 -0.22 -1.23 0.00 0.00 174.94 175.49 1hte s LEU 63 N -0.42 5.04 -0.13 2.97 2.96 -1.26 -0.99 118.68 126.86 1hte s LEU 63 Ca 0.08 -0.96 0.02 0.00 -0.22 0.00 0.00 54.13 53.05 1hte s LEU 63 Cb -0.12 -2.42 -0.00 0.00 0.50 0.00 0.00 46.19 44.15 1hte s LEU 63 CO 0.02 -0.86 -0.19 -0.51 -1.32 0.00 0.00 176.35 173.49 1hte s ILE 64 N 2.51 2.38 0.04 6.68 2.07 -1.02 -4.55 121.20 129.31 1hte s ILE 64 Ca 0.14 -0.89 -0.18 0.00 -1.41 0.00 0.00 60.65 58.31 1hte s ILE 64 Cb -0.20 -1.96 -0.06 0.00 0.13 0.00 0.00 42.46 40.37 1hte s ILE 64 CO 0.11 0.54 0.52 -0.70 -1.91 0.00 0.00 174.94 173.50 1hte s GLU 65 N 0.57 4.12 -0.22 3.50 2.12 -1.03 -0.93 118.70 126.82 1hte s GLU 65 Ca -0.11 0.63 -0.02 0.00 0.36 0.00 0.00 54.97 55.82 1hte s GLU 65 Cb -0.16 -3.24 0.07 0.00 0.26 0.00 0.00 34.13 31.06 1hte s GLU 65 CO 0.04 0.64 0.05 0.42 -0.54 0.00 0.00 175.26 175.87 1hte s ILE 66 N -1.05 0.56 -1.41 -3.70 1.01 0.31 -0.52 121.20 116.40 1hte s ILE 66 Ca 0.27 -0.74 -0.04 0.00 0.00 0.00 0.00 60.65 60.14 1hte s ILE 66 Cb -0.19 -1.16 0.03 0.00 0.01 0.00 0.00 42.46 41.15 1hte s ILE 66 CO 0.17 -0.33 0.66 0.00 0.00 0.00 0.00 174.94 175.44 1hte n GLY 68 N -1.72 -0.53 2.89 0.00 0.00 -1.26 -5.01 105.19 99.56 1hte n GLY 68 Ca -0.21 0.24 -0.23 0.00 0.00 0.00 0.00 46.02 45.82 1hte n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1hte s HIS 69 N -3.32 0.99 -0.21 1.61 4.02 -0.98 -5.13 115.29 112.27 1hte s HIS 69 Ca 0.57 -0.35 -0.20 0.00 1.02 0.00 0.00 55.06 56.10 1hte s HIS 69 Cb -0.26 -0.87 -0.03 0.00 -1.02 0.00 0.00 32.58 30.41 1hte s HIS 69 CO 0.75 -0.29 0.59 0.15 1.02 0.00 0.00 174.74 176.96 1hte s LYS 70 N 1.24 4.18 0.29 1.40 1.02 -1.26 0.12 119.74 126.72 1hte s LYS 70 Ca -0.05 0.53 0.11 0.00 0.02 0.00 0.00 55.97 56.58 1hte s LYS 70 Cb -0.14 -3.59 -0.05 0.00 -0.52 0.00 0.00 37.83 33.53 1hte s LYS 70 CO -0.02 -0.24 -0.18 0.00 -0.92 0.00 0.00 175.35 173.99 1hte s ALA 71 N 1.93 2.76 -0.29 5.17 0.00 -0.11 -4.88 121.76 126.35 1hte s ALA 71 Ca 0.27 -1.91 -0.01 0.00 0.00 0.00 0.00 51.96 50.31 1hte s ALA 71 Cb -0.16 -0.22 0.13 0.00 0.00 0.00 0.00 23.12 22.88 1hte s ALA 71 CO 0.10 0.24 0.29 0.42 0.00 0.00 0.00 175.76 176.81 1hte s ILE 72 N -2.54 -0.40 0.00 0.00 1.01 -1.24 -2.44 121.20 115.59 1hte s ILE 72 Ca 0.30 -0.48 0.00 0.00 0.00 0.00 0.00 60.65 60.47 1hte s ILE 72 Cb -0.04 -0.98 0.00 0.00 0.01 0.00 0.00 42.46 41.45 1hte s ILE 72 CO 0.15 -0.46 0.00 0.61 0.00 0.00 0.00 174.94 175.24 1hte n GLY 73 N 5.31 3.27 3.61 6.18 0.00 -0.16 -4.82 105.19 118.58 1hte n GLY 73 Ca -0.02 -1.30 -0.42 0.00 0.00 0.00 0.00 46.02 44.28 1hte n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1hte s THR 74 N -2.38 4.75 -0.14 2.61 2.01 -1.26 0.28 115.64 121.51 1hte s THR 74 Ca 0.00 1.23 -0.03 0.00 0.31 0.00 0.00 61.69 63.21 1hte s THR 74 Cb 0.00 -4.19 -0.03 0.00 0.01 0.00 0.00 72.50 68.29 1hte s THR 74 CO 0.00 -0.30 -0.06 -0.69 -0.69 0.00 0.00 174.62 172.89 1hte s VAL 75 N 3.07 3.74 -0.22 3.82 1.01 -0.78 -4.31 120.40 126.72 1hte s VAL 75 Ca 0.34 -0.42 -0.09 0.00 0.00 0.00 0.00 61.98 61.81 1hte s VAL 75 Cb -0.14 -2.61 -0.04 0.00 0.00 0.00 0.00 36.38 33.59 1hte s VAL 75 CO 0.13 0.51 0.10 -0.76 0.00 0.00 0.00 175.10 175.09 1hte s LEU 76 N 0.19 3.82 -0.25 3.92 1.43 -0.52 -1.19 118.68 126.08 1hte s LEU 76 Ca -0.03 0.01 -0.12 0.00 -1.03 0.00 0.00 54.13 52.95 1hte s LEU 76 Cb -0.14 -2.01 -0.05 0.00 0.03 0.00 0.00 46.19 44.03 1hte s LEU 76 CO 0.03 0.07 0.25 -0.69 0.23 0.00 0.00 176.35 176.25 1hte s VAL 77 N 1.01 5.28 0.07 -1.59 1.01 0.18 -0.63 120.40 125.73 1hte s VAL 77 Ca 0.05 0.35 -0.25 0.00 0.00 0.00 0.00 61.98 62.14 1hte s VAL 77 Cb -0.14 -3.59 0.08 0.00 0.00 0.00 0.00 36.38 32.74 1hte s VAL 77 CO 0.03 0.26 1.14 0.61 0.00 0.00 0.00 175.10 177.15 1hte n GLY 78 N 4.50 0.40 3.10 4.51 0.00 -0.82 -2.13 105.19 114.75 1hte n GLY 78 Ca -0.12 -1.09 -0.41 0.00 0.00 0.00 0.00 46.02 44.40 1hte n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1hte n PRO 79 N -0.81 2.12 -4.03 1.61 -0.04 -1.26 -3.45 135.00 129.13 1hte n PRO 79 Ca 0.02 -2.32 -0.26 0.00 -0.04 0.00 0.00 63.50 60.89 1hte n PRO 79 Cb 0.57 -3.21 -0.05 0.00 -0.04 0.00 0.00 33.50 30.77 1hte n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1hte s THR 80 N 5.16 4.78 0.33 0.52 -1.32 -1.26 -4.99 115.64 118.86 1hte s THR 80 Ca 0.55 -0.94 0.03 0.00 -1.21 0.00 0.00 61.69 60.12 1hte s THR 80 Cb 0.11 -3.45 0.28 0.00 -1.51 0.00 0.00 72.50 67.94 1hte s THR 80 CO 0.05 -0.10 1.94 -0.65 -2.21 0.00 0.00 174.62 173.65 1hte h PRO 81 N 2.33 0.90 -3.87 7.08 0.11 -1.99 -3.46 132.00 133.11 1hte h PRO 81 Ca -0.48 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 65.48 1hte h PRO 81 Cb 1.20 -0.20 -0.12 0.00 0.11 0.00 0.00 31.00 31.98 1hte h PRO 81 CO 0.65 0.59 -0.31 0.54 -0.21 0.00 0.00 178.00 179.27 1hte s VAL 82 N -5.81 0.06 -0.36 3.15 0.11 -1.26 -5.11 120.40 111.18 1hte s VAL 82 Ca -0.11 -1.37 -0.29 0.00 -2.93 0.00 0.00 61.98 57.29 1hte s VAL 82 Cb 0.19 -1.85 -0.01 0.00 -1.53 0.00 0.00 36.38 33.19 1hte s VAL 82 CO 0.79 -0.28 1.62 0.20 -3.33 0.00 0.00 175.10 174.09 1hte s ASN 83 N -2.97 6.11 -0.16 3.54 0.01 -1.26 -4.70 114.94 115.51 1hte s ASN 83 Ca 0.17 1.09 -0.15 0.00 -0.71 0.00 0.00 52.86 53.27 1hte s ASN 83 Cb 0.03 -2.53 -0.04 0.00 0.41 0.00 0.00 41.25 39.11 1hte s ASN 83 CO 0.00 -1.57 0.34 -0.63 -1.51 0.00 0.00 177.10 173.74 1hte s ILE 84 N 6.17 5.27 -0.43 0.60 1.09 0.21 -0.47 121.20 133.64 1hte s ILE 84 Ca 0.71 0.64 -0.08 0.00 -1.10 0.00 0.00 60.65 60.82 1hte s ILE 84 Cb -0.18 -3.68 0.09 0.00 -1.06 0.00 0.00 42.46 37.63 1hte s ILE 84 CO 0.33 0.35 0.27 -0.63 -0.10 0.00 0.00 174.94 175.16 1hte s ILE 85 N 0.69 4.05 0.35 2.92 -1.09 -0.52 -1.49 121.20 126.11 1hte s ILE 85 Ca 0.18 -1.59 0.05 0.00 -2.23 0.00 0.00 60.65 57.06 1hte s ILE 85 Cb -0.14 -3.56 0.06 0.00 -1.58 0.00 0.00 42.46 37.24 1hte s ILE 85 CO 0.06 -0.59 0.48 0.61 -1.23 0.00 0.00 174.94 174.27 1hte n GLY 86 N 4.86 1.80 0.30 6.18 0.00 -1.19 -2.45 105.19 114.69 1hte n GLY 86 Ca -0.09 -2.16 0.10 0.00 0.00 0.00 0.00 46.02 43.87 1hte n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1hte h ARG 87 N 0.00 0.37 -0.95 1.61 3.08 0.01 -0.42 114.38 118.08 1hte h ARG 87 Ca -0.16 -0.02 0.28 0.00 0.07 0.00 0.00 59.98 60.14 1hte h ARG 87 Cb 0.72 -0.08 -0.14 0.00 0.08 0.00 0.00 29.97 30.55 1hte h ARG 87 CO 0.22 0.24 0.44 -2.95 -1.07 0.00 0.00 179.97 176.86 1hte h ASN 88 N 0.38 0.34 0.00 7.04 -1.07 -1.67 -0.52 115.58 120.07 1hte h ASN 88 Ca 0.50 0.19 0.00 0.00 0.07 0.00 0.00 56.30 57.05 1hte h ASN 88 Cb 0.88 0.17 0.00 0.00 -2.07 0.00 0.00 38.32 37.31 1hte h ASN 88 CO -0.50 -0.11 -1.36 0.18 0.07 0.00 0.00 177.43 175.71 1hte n LEU 89 N -5.10 0.37 -0.03 6.14 4.77 -0.28 -3.83 117.00 119.05 1hte n LEU 89 Ca 0.27 -0.23 -0.13 0.00 -0.03 0.00 0.00 56.01 55.90 1hte n LEU 89 Cb 0.83 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.84 1hte n LEU 89 CO 0.09 0.09 0.66 -0.07 -1.33 0.00 0.00 177.39 176.83 1hte h LEU 90 N 0.00 0.17 -1.19 2.23 3.38 -0.12 -2.35 115.31 117.44 1hte h LEU 90 Ca 0.00 -0.43 0.12 0.00 0.09 0.00 0.00 57.88 57.67 1hte h LEU 90 Cb 0.63 -0.05 -0.07 0.00 0.09 0.00 0.00 40.66 41.26 1hte h LEU 90 CO 0.00 0.56 0.59 0.71 0.09 0.00 0.00 178.44 180.39 1hte h THR 91 N -0.22 0.90 -0.30 0.22 1.35 -1.33 -1.83 112.91 111.69 1hte h THR 91 Ca 0.02 -0.28 0.04 0.00 -0.55 0.00 0.00 66.41 65.63 1hte h THR 91 Cb 0.50 -0.01 -0.04 0.00 -1.73 0.00 0.00 68.15 66.88 1hte h THR 91 CO 0.01 0.15 0.09 1.56 -0.25 0.00 0.00 175.52 177.08 1hte h GLN 92 N 0.83 0.21 -0.18 4.72 4.20 -1.59 -2.94 115.11 120.36 1hte h GLN 92 Ca 0.45 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 59.15 1hte h GLN 92 Cb 0.56 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.30 1hte h GLN 92 CO -0.21 0.14 0.00 0.44 -0.67 0.00 0.00 178.83 178.53 1hte n ILE 93 N -5.05 0.23 -3.07 2.54 -5.35 -0.91 -4.96 119.36 102.79 1hte n ILE 93 Ca -0.00 -0.30 -0.11 0.00 -0.27 0.00 0.00 62.75 62.07 1hte n ILE 93 Cb 0.12 0.20 0.05 0.00 -1.74 0.00 0.00 39.64 38.26 1hte n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1hte n GLY 94 N 1.00 -1.02 3.72 3.28 0.00 -1.05 -5.03 105.19 106.10 1hte n GLY 94 Ca 0.13 0.50 -0.36 0.00 0.00 0.00 0.00 46.02 46.29 1hte n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hte s THR 96 N 0.51 1.16 0.03 0.00 -4.23 -1.26 -4.63 115.64 107.22 1hte s THR 96 Ca 0.13 -1.39 -0.25 0.00 -1.18 0.00 0.00 61.69 59.00 1hte s THR 96 Cb -0.12 -1.17 -0.05 0.00 1.34 0.00 0.00 72.50 72.50 1hte s THR 96 CO 0.02 -0.26 0.77 -0.76 -0.54 0.00 0.00 174.62 173.85 1hte s LEU 97 N -1.88 4.43 -0.02 4.79 1.43 -1.26 -5.06 118.68 121.12 1hte s LEU 97 Ca 0.00 1.44 0.04 0.00 -1.03 0.00 0.00 54.13 54.57 1hte s LEU 97 Cb -0.09 -3.24 -0.01 0.00 0.03 0.00 0.00 46.19 42.89 1hte s LEU 97 CO 0.02 -0.01 -0.13 0.20 0.23 0.00 0.00 176.35 176.66 1hte s ASN 98 N 0.09 1.55 0.00 2.29 0.01 -1.26 -5.28 114.94 112.34 1hte s ASN 98 Ca 0.39 -0.24 0.00 0.00 -0.71 0.00 0.00 52.86 52.30 1hte s ASN 98 Cb -0.20 -0.25 0.00 0.00 0.41 0.00 0.00 41.25 41.21 1hte s ASN 98 CO 0.23 0.14 0.00 2.22 -1.51 0.00 0.00 177.10 178.18