#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 3.38 -0.16 0.54 0.74 -1.26 -5.10 119.66 117.80 1htg s GLN 2 Ca 0.00 -0.65 -0.01 0.00 0.05 0.00 0.00 55.36 54.75 1htg s GLN 2 Cb 0.00 -2.81 -0.01 0.00 1.10 0.00 0.00 33.01 31.29 1htg s GLN 2 CO 0.00 0.02 -0.12 0.42 -0.55 0.00 0.00 175.29 175.05 1htg s ILE 3 N 0.88 2.91 0.55 -2.34 1.01 -1.26 -5.11 121.20 117.84 1htg s ILE 3 Ca -0.02 -0.68 -0.11 0.00 0.00 0.00 0.00 60.65 59.83 1htg s ILE 3 Cb -0.15 -2.25 -0.05 0.00 0.01 0.00 0.00 42.46 40.02 1htg s ILE 3 CO 0.00 0.50 0.94 0.42 0.00 0.00 0.00 174.94 176.81 1htg s THR 4 N 0.84 4.72 -0.23 2.92 -4.23 -1.26 -5.01 115.64 113.39 1htg s THR 4 Ca -0.04 0.79 0.13 0.00 -1.18 0.00 0.00 61.69 61.38 1htg s THR 4 Cb -0.15 -3.82 0.50 0.00 1.34 0.00 0.00 72.50 70.37 1htg s THR 4 CO 0.00 -0.93 1.43 0.18 -0.54 0.00 0.00 174.62 174.76 1htg n LEU 5 N -2.26 3.94 0.03 4.79 4.77 -1.26 -4.31 117.00 122.70 1htg n LEU 5 Ca 0.05 -3.40 -0.03 0.00 -0.03 0.00 0.00 56.01 52.60 1htg n LEU 5 Cb 0.54 -0.59 0.22 0.00 -2.33 0.00 0.00 43.42 41.27 1htg n LEU 5 CO 0.54 0.97 0.74 -0.50 -1.33 0.00 0.00 177.39 177.80 1htg h TRP 6 N 1.27 0.48 -1.77 -1.77 4.06 -2.06 -3.44 115.95 112.74 1htg h TRP 6 Ca 0.12 -0.10 -0.55 0.00 2.06 0.00 0.00 58.89 60.41 1htg h TRP 6 Cb 1.54 -0.12 -0.08 0.00 -1.00 0.00 0.00 29.16 29.50 1htg h TRP 6 CO 0.74 0.66 -0.53 -0.65 -3.56 0.00 0.00 178.44 175.10 1htg s GLN 7 N -4.48 2.29 0.31 0.49 1.11 -1.26 -5.09 119.66 113.03 1htg s GLN 7 Ca -0.06 -1.68 -0.30 0.00 0.01 0.00 0.00 55.36 53.33 1htg s GLN 7 Cb 0.14 -2.09 -0.11 0.00 -1.01 0.00 0.00 33.01 29.94 1htg s GLN 7 CO 0.78 0.02 1.55 1.03 0.01 0.00 0.00 175.29 178.68 1htg s ARG 8 N -3.86 4.14 -1.35 2.91 0.52 -1.26 -4.85 118.95 115.19 1htg s ARG 8 Ca 0.39 2.54 -0.16 0.00 -0.52 0.00 0.00 55.73 57.98 1htg s ARG 8 Cb -0.00 -3.02 0.02 0.00 0.52 0.00 0.00 34.95 32.47 1htg s ARG 8 CO 0.22 -0.58 2.08 -0.35 0.02 0.00 0.00 175.30 176.70 1htg n PRO 9 N 1.78 2.77 -3.34 3.54 -0.04 -1.26 -4.94 135.00 133.51 1htg n PRO 9 Ca 0.06 -2.68 -0.38 0.00 -0.04 0.00 0.00 63.50 60.46 1htg n PRO 9 Cb 0.38 -3.32 -0.06 0.00 -0.04 0.00 0.00 33.50 30.47 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 2.81 4.50 0.14 1.53 1.43 -1.26 -0.83 118.68 127.01 1htg s LEU 10 Ca 0.50 1.16 0.01 0.00 -1.03 0.00 0.00 54.13 54.77 1htg s LEU 10 Cb 0.11 -2.80 -0.04 0.00 0.03 0.00 0.00 46.19 43.49 1htg s LEU 10 CO -0.03 0.28 0.01 0.68 0.23 0.00 0.00 176.35 177.52 1htg s VAL 11 N -1.01 0.46 -0.14 -1.59 -7.23 0.93 -4.93 120.40 106.89 1htg s VAL 11 Ca 0.27 -1.94 -0.19 0.00 -1.81 0.00 0.00 61.98 58.31 1htg s VAL 11 Cb -0.19 -2.01 -0.04 0.00 0.56 0.00 0.00 36.38 34.71 1htg s VAL 11 CO 0.17 -0.55 0.54 -0.89 -0.31 0.00 0.00 175.10 174.06 1htg s THR 12 N -3.80 5.13 0.08 5.32 2.01 -1.26 0.21 115.64 123.33 1htg s THR 12 Ca 0.21 1.06 0.05 0.00 0.31 0.00 0.00 61.69 63.32 1htg s THR 12 Cb 0.07 -3.87 -0.04 0.00 0.01 0.00 0.00 72.50 68.66 1htg s THR 12 CO 0.01 0.26 -0.03 0.27 -0.69 0.00 0.00 174.62 174.44 1htg s ILE 13 N 1.02 3.87 -0.20 1.82 -4.36 0.13 -3.23 121.20 120.25 1htg s ILE 13 Ca 0.28 -1.00 -0.05 0.00 -0.26 0.00 0.00 60.65 59.61 1htg s ILE 13 Cb -0.16 -2.82 -0.03 0.00 1.25 0.00 0.00 42.46 40.71 1htg s ILE 13 CO 0.11 0.16 0.01 -0.75 0.24 0.00 0.00 174.94 174.71 1htg s LYS 14 N -2.17 3.67 -0.28 0.37 2.20 0.43 -0.64 119.74 123.32 1htg s LYS 14 Ca 0.24 -0.49 -0.01 0.00 -0.36 0.00 0.00 55.97 55.35 1htg s LYS 14 Cb -0.11 -3.10 0.09 0.00 -1.51 0.00 0.00 37.83 33.19 1htg s LYS 14 CO 0.16 0.05 0.06 -1.50 -0.36 0.00 0.00 175.35 173.77 1htg s ILE 15 N 0.91 1.00 -0.70 5.43 1.10 0.13 -1.51 121.20 127.55 1htg s ILE 15 Ca 0.02 -1.30 -0.12 0.00 -0.51 0.00 0.00 60.65 58.74 1htg s ILE 15 Cb -0.14 -1.65 0.02 0.00 0.15 0.00 0.00 42.46 40.84 1htg s ILE 15 CO 0.02 -0.51 0.63 0.61 -2.11 0.00 0.00 174.94 173.57 1htg n GLY 16 N 4.82 -0.86 4.28 1.50 0.00 -1.26 -0.99 105.19 112.67 1htg n GLY 16 Ca -0.04 0.79 0.00 0.00 0.00 0.00 0.00 46.02 46.77 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 -1.18 0.88 3.78 -0.02 0.00 -1.26 -4.95 105.19 102.44 1htg n GLY 17 Ca -0.22 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.40 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 0.00 4.45 -0.11 1.61 -0.21 -0.17 -5.04 119.66 120.19 1htg s GLN 18 Ca 0.00 1.01 -0.26 0.00 0.02 0.00 0.00 55.36 56.13 1htg s GLN 18 Cb 0.00 -3.28 -0.02 0.00 1.00 0.00 0.00 33.01 30.70 1htg s GLN 18 CO 0.00 0.52 0.82 -0.51 -2.12 0.00 0.00 175.29 173.99 1htg s LEU 19 N -0.85 4.25 0.21 2.90 1.43 -1.26 0.19 118.68 125.56 1htg s LEU 19 Ca 0.34 1.26 0.05 0.00 -1.03 0.00 0.00 54.13 54.75 1htg s LEU 19 Cb -0.21 -3.25 -0.05 0.00 0.03 0.00 0.00 46.19 42.71 1htg s LEU 19 CO 0.23 -0.29 -0.05 -0.54 0.23 0.00 0.00 176.35 175.93 1htg s LYS 20 N 1.54 1.29 -0.04 1.70 1.02 0.19 -4.96 119.74 120.48 1htg s LYS 20 Ca 0.40 -1.62 -0.17 0.00 0.02 0.00 0.00 55.97 54.61 1htg s LYS 20 Cb -0.18 -0.76 -0.05 0.00 -0.52 0.00 0.00 37.83 36.33 1htg s LYS 20 CO 0.17 0.00 0.46 -1.21 -0.92 0.00 0.00 175.35 173.85 1htg s GLU 21 N -3.79 4.15 0.03 1.68 0.41 -1.26 0.20 118.70 120.12 1htg s GLU 21 Ca 0.25 0.47 -0.01 0.00 -0.41 0.00 0.00 54.97 55.26 1htg s GLU 21 Cb 0.04 -3.32 -0.02 0.00 -1.78 0.00 0.00 34.13 29.04 1htg s GLU 21 CO 0.07 0.45 -0.00 0.00 -0.49 0.00 0.00 175.26 175.28 1htg s ALA 22 N -0.32 0.20 -0.26 5.21 0.00 0.13 -4.39 121.76 122.33 1htg s ALA 22 Ca 0.25 -0.76 -0.28 0.00 0.00 0.00 0.00 51.96 51.17 1htg s ALA 22 Cb -0.16 0.20 0.01 0.00 0.00 0.00 0.00 23.12 23.17 1htg s ALA 22 CO 0.13 -0.25 1.01 -1.17 0.00 0.00 0.00 175.76 175.47 1htg s LEU 23 N -2.02 4.05 -0.40 0.00 2.96 0.07 -0.05 118.68 123.29 1htg s LEU 23 Ca -0.07 1.20 -0.29 0.00 -0.22 0.00 0.00 54.13 54.75 1htg s LEU 23 Cb -0.03 -3.47 0.01 0.00 0.50 0.00 0.00 46.19 43.20 1htg s LEU 23 CO -0.04 -0.71 1.39 -0.76 -1.32 0.00 0.00 176.35 174.91 1htg s LEU 24 N 3.27 3.63 -0.29 -0.68 1.43 -0.01 0.04 118.68 126.07 1htg s LEU 24 Ca 0.43 0.87 0.02 0.00 -1.03 0.00 0.00 54.13 54.42 1htg s LEU 24 Cb -0.14 -3.54 0.08 0.00 0.03 0.00 0.00 46.19 42.62 1htg s LEU 24 CO 0.09 -1.38 0.01 -0.62 0.23 0.00 0.00 176.35 174.68 1htg s ASP 25 N 3.74 4.29 0.23 2.29 -1.08 0.32 -4.79 116.67 121.67 1htg s ASP 25 Ca 0.60 -1.66 0.23 0.00 -0.52 0.00 0.00 52.55 51.20 1htg s ASP 25 Cb -0.14 -1.32 0.94 0.00 -1.46 0.00 0.00 42.92 40.95 1htg s ASP 25 CO 0.31 -0.32 1.69 0.35 0.52 0.00 0.00 175.17 177.72 1htg n THR 26 N 4.53 0.84 1.47 1.71 -2.24 -1.26 -2.04 114.28 117.29 1htg n THR 26 Ca -0.04 0.23 0.13 0.00 -2.27 0.00 0.00 64.05 62.10 1htg n THR 26 Cb 0.43 -1.15 0.51 0.00 -2.10 0.00 0.00 70.33 68.02 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 -0.00 -0.03 3.52 3.38 0.00 -1.26 -4.78 105.19 106.02 1htg n GLY 27 Ca 0.02 -0.40 -0.36 0.00 0.00 0.00 0.00 46.02 45.28 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 -1.93 3.31 0.36 4.61 0.00 -0.87 -4.98 121.76 122.27 1htg s ALA 28 Ca 0.36 -1.04 0.08 0.00 0.00 0.00 0.00 51.96 51.36 1htg s ALA 28 Cb 0.19 -2.16 0.70 0.00 0.00 0.00 0.00 23.12 21.85 1htg s ALA 28 CO 0.31 -0.37 1.88 -0.44 0.00 0.00 0.00 175.76 177.14 1htg h ASP 29 N 7.95 0.29 -2.91 0.00 3.32 -1.87 0.16 116.42 123.37 1htg h ASP 29 Ca -0.37 -0.07 -0.52 0.00 0.02 0.00 0.00 57.03 56.09 1htg h ASP 29 Cb 1.18 -0.08 -0.15 0.00 0.22 0.00 0.00 39.33 40.50 1htg h ASP 29 CO 0.60 0.46 -0.75 -1.81 -1.72 0.00 0.00 179.24 176.01 1htg s ASP 30 N -6.85 2.96 -0.08 6.45 1.01 -1.26 -2.74 116.67 116.16 1htg s ASP 30 Ca -0.06 -1.00 -0.24 0.00 0.71 0.00 0.00 52.55 51.97 1htg s ASP 30 Cb 0.15 -0.20 -0.03 0.00 1.01 0.00 0.00 42.92 43.85 1htg s ASP 30 CO 0.75 -0.07 0.71 -0.89 0.21 0.00 0.00 175.17 175.88 1htg s THR 31 N -2.66 5.03 -0.14 -1.27 2.01 -1.26 -3.63 115.64 113.72 1htg s THR 31 Ca 0.24 1.46 -0.01 0.00 0.31 0.00 0.00 61.69 63.69 1htg s THR 31 Cb -0.03 -4.05 0.04 0.00 0.01 0.00 0.00 72.50 68.47 1htg s THR 31 CO 0.10 0.23 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.52 1htg s VAL 32 N 0.95 0.92 0.10 3.82 1.01 -0.87 -0.41 120.40 125.93 1htg s VAL 32 Ca 0.38 -0.39 -0.03 0.00 0.00 0.00 0.00 61.98 61.93 1htg s VAL 32 Cb -0.18 -1.07 -0.05 0.00 0.00 0.00 0.00 36.38 35.09 1htg s VAL 32 CO 0.18 0.20 0.31 -0.76 0.00 0.00 0.00 175.10 175.03 1htg s LEU 33 N 1.73 4.31 0.74 3.92 1.43 0.17 -1.39 118.68 129.59 1htg s LEU 33 Ca 0.03 0.48 -0.15 0.00 -1.03 0.00 0.00 54.13 53.45 1htg s LEU 33 Cb -0.14 -3.15 0.04 0.00 0.03 0.00 0.00 46.19 42.97 1htg s LEU 33 CO -0.08 0.11 1.24 -1.61 0.23 0.00 0.00 176.35 176.24 1htg s GLU 34 N -2.54 2.05 -0.48 1.70 2.02 -1.26 -1.18 118.70 119.01 1htg s GLU 34 Ca 0.38 1.86 -0.45 0.00 0.02 0.00 0.00 54.97 56.78 1htg s GLU 34 Cb -0.12 -1.81 -0.19 0.00 0.10 0.00 0.00 34.13 32.10 1htg s GLU 34 CO 0.25 -1.93 1.85 -1.91 0.02 0.00 0.00 175.26 173.54 1htg n GLU 35 N -2.71 0.11 -3.90 1.61 4.07 -1.08 -4.58 120.64 114.17 1htg n GLU 35 Ca 0.14 0.04 -0.08 0.00 -0.06 0.00 0.00 57.16 57.20 1htg n GLU 35 Cb 0.50 -1.57 -0.04 0.00 -0.06 0.00 0.00 31.44 30.27 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 4.37 1.65 -0.30 5.31 0.23 -1.26 -5.02 119.30 124.27 1htg s MET 36 Ca 1.11 -1.08 -0.15 0.00 -1.03 0.00 0.00 55.69 54.54 1htg s MET 36 Cb -1.45 0.54 -0.03 0.00 -1.53 0.00 0.00 34.83 32.37 1htg s MET 36 CO 0.73 -0.72 0.35 -1.12 -2.03 0.00 0.00 175.02 172.23 1htg s SER 37 N -2.95 6.20 -0.03 -1.18 0.01 -1.26 -5.02 113.70 109.46 1htg s SER 37 Ca 0.16 0.05 0.06 0.00 1.31 0.00 0.00 55.95 57.53 1htg s SER 37 Cb -0.03 -2.20 -0.02 0.00 0.21 0.00 0.00 66.02 63.98 1htg s SER 37 CO 0.07 -0.23 -0.22 -0.76 0.41 0.00 0.00 173.24 172.50 1htg s LEU 38 N 2.02 2.26 -0.13 2.44 1.43 -1.26 -5.09 118.68 120.35 1htg s LEU 38 Ca 0.13 -0.39 -0.38 0.00 -1.03 0.00 0.00 54.13 52.45 1htg s LEU 38 Cb -0.16 -1.41 -0.15 0.00 0.03 0.00 0.00 46.19 44.50 1htg s LEU 38 CO 0.11 0.32 1.63 -2.65 0.23 0.00 0.00 176.35 175.99 1htg n PRO 39 N 2.48 1.31 0.00 1.29 -0.02 -1.26 -4.92 135.00 133.87 1htg n PRO 39 Ca -0.17 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 61.79 1htg n PRO 39 Cb 0.51 -2.17 0.00 0.00 -0.02 0.00 0.00 33.50 31.82 1htg n PRO 39 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1htg n GLY 40 N 3.70 1.71 3.88 -1.23 0.00 -1.26 -5.01 105.19 106.98 1htg n GLY 40 Ca 0.23 -2.02 -0.30 0.00 0.00 0.00 0.00 46.02 43.93 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 -1.37 3.51 0.13 1.61 0.52 -1.26 -5.08 118.95 117.01 1htg s ARG 41 Ca 0.00 0.65 -0.06 0.00 -0.52 0.00 0.00 55.73 55.81 1htg s ARG 41 Cb 0.00 -2.11 -0.02 0.00 0.52 0.00 0.00 34.95 33.34 1htg s ARG 41 CO 0.00 -0.58 0.17 1.67 0.02 0.00 0.00 175.30 176.57 1htg s TRP 42 N -3.15 0.53 -0.06 -0.53 1.48 -1.26 -4.65 118.94 111.29 1htg s TRP 42 Ca 0.55 -0.92 0.02 0.00 -1.06 0.00 0.00 56.10 54.68 1htg s TRP 42 Cb -0.11 -0.23 -0.03 0.00 -1.16 0.00 0.00 33.47 31.94 1htg s TRP 42 CO 0.53 -0.60 -0.10 0.15 -4.06 0.00 0.00 176.95 172.87 1htg s LYS 43 N -3.97 2.67 0.49 3.25 1.02 -0.82 -4.90 119.74 117.48 1htg s LYS 43 Ca 0.17 -0.61 -0.20 0.00 0.02 0.00 0.00 55.97 55.34 1htg s LYS 43 Cb 0.05 -2.51 -0.08 0.00 -0.52 0.00 0.00 37.83 34.77 1htg s LYS 43 CO -0.02 0.64 1.06 -1.25 -0.92 0.00 0.00 175.35 174.85 1htg s PRO 44 N -0.74 3.76 0.02 -1.68 0.04 -1.26 0.64 135.00 135.78 1htg s PRO 44 Ca 0.11 1.43 -0.06 0.00 0.04 0.00 0.00 61.00 62.52 1htg s PRO 44 Cb -0.11 -2.12 -0.01 0.00 0.04 0.00 0.00 34.50 32.30 1htg s PRO 44 CO 0.01 -0.48 0.12 0.21 0.04 0.00 0.00 177.00 176.90 1htg s LYS 45 N -3.17 0.55 -0.11 4.56 2.20 -0.31 -4.83 119.74 118.63 1htg s LYS 45 Ca 0.67 -0.61 -0.01 0.00 -0.36 0.00 0.00 55.97 55.67 1htg s LYS 45 Cb -0.18 0.22 -0.02 0.00 -1.51 0.00 0.00 37.83 36.33 1htg s LYS 45 CO 0.22 -0.14 -0.09 -1.64 -0.36 0.00 0.00 175.35 173.34 1htg s MET 46 N -2.12 3.22 0.04 4.03 -1.94 -1.26 -0.61 119.30 120.66 1htg s MET 46 Ca -0.09 -0.60 0.06 0.00 -1.71 0.00 0.00 55.69 53.35 1htg s MET 46 Cb -0.04 -2.68 -0.02 0.00 2.01 0.00 0.00 34.83 34.10 1htg s MET 46 CO -0.02 0.38 -0.19 0.96 -0.01 0.00 0.00 175.02 176.14 1htg s ILE 47 N -0.04 1.50 0.17 2.53 -4.36 -0.27 -4.96 121.20 115.77 1htg s ILE 47 Ca -0.01 -1.09 0.07 0.00 -0.26 0.00 0.00 60.65 59.36 1htg s ILE 47 Cb -0.14 -1.31 -0.04 0.00 1.25 0.00 0.00 42.46 42.22 1htg s ILE 47 CO 0.03 0.18 -0.15 -0.83 0.24 0.00 0.00 174.94 174.42 1htg s GLY 48 N -1.07 1.32 0.00 6.27 0.00 -1.26 -0.40 107.32 112.17 1htg s GLY 48 Ca 0.06 -1.53 0.00 0.00 0.00 0.00 0.00 44.72 43.25 1htg s GLY 48 CO 0.01 -1.61 0.00 0.61 0.00 0.00 0.00 173.10 172.11 1htg n GLY 49 N -0.03 3.72 3.72 0.20 0.00 0.30 -4.96 105.19 108.16 1htg n GLY 49 Ca -0.11 -0.31 -0.42 0.00 0.00 0.00 0.00 46.02 45.18 1htg n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1htg s ILE 50 N -0.25 3.00 0.00 -0.61 1.01 -1.26 -2.12 121.20 120.96 1htg s ILE 50 Ca 0.00 0.75 0.00 0.00 0.00 0.00 0.00 60.65 61.40 1htg s ILE 50 Cb 0.00 -3.48 0.00 0.00 0.01 0.00 0.00 42.46 38.99 1htg s ILE 50 CO 0.00 0.08 0.00 0.61 0.00 0.00 0.00 174.94 175.63 1htg n GLY 51 N 3.17 1.18 0.00 6.18 0.00 -1.26 -4.92 105.19 109.54 1htg n GLY 51 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 -2.00 -0.57 3.72 -0.02 0.00 -0.90 -5.04 105.19 100.38 1htg n GLY 52 Ca 0.00 -2.18 -0.28 0.00 0.00 0.00 0.00 46.02 43.56 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 0.00 3.03 0.10 1.61 0.40 -1.26 -0.54 117.98 121.32 1htg s PHE 53 Ca 0.00 -0.03 0.05 0.00 -0.60 0.00 0.00 56.93 56.35 1htg s PHE 53 Cb 0.00 -1.51 -0.03 0.00 0.51 0.00 0.00 43.02 41.99 1htg s PHE 53 CO 0.00 0.50 -0.13 0.96 0.70 0.00 0.00 175.22 177.25 1htg s ILE 54 N -1.53 1.15 -0.02 0.64 -4.36 0.46 -4.97 121.20 112.57 1htg s ILE 54 Ca 0.28 -1.53 -0.22 0.00 -0.26 0.00 0.00 60.65 58.92 1htg s ILE 54 Cb -0.11 -1.30 -0.05 0.00 1.25 0.00 0.00 42.46 42.25 1htg s ILE 54 CO 0.20 -0.37 0.65 -0.75 0.24 0.00 0.00 174.94 174.91 1htg s LYS 55 N -2.32 4.39 0.14 0.37 2.20 -1.26 -1.12 119.74 122.14 1htg s LYS 55 Ca 0.04 0.82 0.05 0.00 -0.36 0.00 0.00 55.97 56.52 1htg s LYS 55 Cb -0.06 -3.38 -0.04 0.00 -1.51 0.00 0.00 37.83 32.84 1htg s LYS 55 CO 0.02 0.26 -0.12 0.14 -0.36 0.00 0.00 175.35 175.29 1htg s VAL 56 N 0.13 1.25 -0.14 4.02 -7.23 0.22 -4.52 120.40 114.14 1htg s VAL 56 Ca 0.34 -1.89 -0.21 0.00 -1.81 0.00 0.00 61.98 58.41 1htg s VAL 56 Cb -0.18 -1.68 -0.03 0.00 0.56 0.00 0.00 36.38 35.04 1htg s VAL 56 CO 0.18 -0.59 0.62 -0.13 -0.31 0.00 0.00 175.10 174.88 1htg s ARG 57 N -3.21 4.31 -0.30 4.82 0.52 -0.21 -1.16 118.95 123.72 1htg s ARG 57 Ca 0.13 0.67 -0.23 0.00 -0.52 0.00 0.00 55.73 55.79 1htg s ARG 57 Cb -0.01 -3.51 -0.00 0.00 0.52 0.00 0.00 34.95 31.95 1htg s ARG 57 CO 0.02 -0.06 0.74 -1.14 0.02 0.00 0.00 175.30 174.88 1htg s GLN 58 N 1.30 3.96 -0.10 3.54 0.74 0.21 -1.46 119.66 127.84 1htg s GLN 58 Ca 0.31 0.53 -0.02 0.00 0.05 0.00 0.00 55.36 56.23 1htg s GLN 58 Cb -0.16 -3.72 -0.03 0.00 1.10 0.00 0.00 33.01 30.20 1htg s GLN 58 CO 0.13 -0.63 -0.03 0.71 -0.55 0.00 0.00 175.29 174.91 1htg s TYR 59 N 2.85 3.04 0.24 1.67 1.51 0.50 -1.94 117.35 125.22 1htg s TYR 59 Ca 0.30 -0.02 0.04 0.00 -1.01 0.00 0.00 57.07 56.38 1htg s TYR 59 Cb -0.14 -1.82 -0.03 0.00 -0.11 0.00 0.00 41.96 39.85 1htg s TYR 59 CO 0.12 0.26 0.38 -0.51 -1.11 0.00 0.00 175.55 174.68 1htg s ASP 60 N -0.44 6.32 -1.41 2.29 1.11 -1.26 -0.69 116.67 122.60 1htg s ASP 60 Ca 0.07 0.16 -0.07 0.00 0.18 0.00 0.00 52.55 52.89 1htg s ASP 60 Cb -0.12 -1.90 0.01 0.00 1.07 0.00 0.00 42.92 41.97 1htg s ASP 60 CO 0.02 -0.08 0.33 0.00 1.18 0.00 0.00 175.17 176.62 1htg n GLN 61 N -1.27 -1.79 -3.48 8.23 6.02 -1.13 -4.91 117.38 119.04 1htg n GLN 61 Ca -0.08 0.24 -0.37 0.00 -0.01 0.00 0.00 57.00 56.78 1htg n GLN 61 Cb 0.56 -3.85 -0.06 0.00 1.02 0.00 0.00 30.24 27.90 1htg n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1htg s ILE 62 N -4.02 5.20 -0.17 5.09 -1.09 -0.36 -4.80 121.20 121.06 1htg s ILE 62 Ca 0.11 0.72 -0.26 0.00 -2.23 0.00 0.00 60.65 59.00 1htg s ILE 62 Cb -0.05 -3.69 -0.01 0.00 -1.58 0.00 0.00 42.46 37.12 1htg s ILE 62 CO 0.94 0.44 0.85 -0.22 -1.23 0.00 0.00 174.94 175.72 1htg s LEU 63 N -0.02 4.17 0.04 2.97 2.96 -1.26 -1.36 118.68 126.18 1htg s LEU 63 Ca 0.21 1.19 0.09 0.00 -0.22 0.00 0.00 54.13 55.40 1htg s LEU 63 Cb -0.15 -3.26 -0.03 0.00 0.50 0.00 0.00 46.19 43.26 1htg s LEU 63 CO 0.08 -0.42 -0.25 -0.63 -1.32 0.00 0.00 176.35 173.82 1htg s ILE 64 N 2.22 1.99 -0.20 6.68 1.01 0.69 -4.47 121.20 129.12 1htg s ILE 64 Ca 0.39 -1.33 -0.04 0.00 0.00 0.00 0.00 60.65 59.67 1htg s ILE 64 Cb -0.16 -1.71 -0.01 0.00 0.01 0.00 0.00 42.46 40.58 1htg s ILE 64 CO 0.12 0.32 -0.04 -0.70 0.00 0.00 0.00 174.94 174.64 1htg s GLU 65 N -1.21 3.46 -0.31 2.79 2.12 -0.57 -0.49 118.70 124.48 1htg s GLU 65 Ca 0.10 -0.59 -0.02 0.00 0.36 0.00 0.00 54.97 54.82 1htg s GLU 65 Cb -0.10 -3.00 0.06 0.00 0.26 0.00 0.00 34.13 31.36 1htg s GLU 65 CO 0.02 -0.08 0.02 0.42 -0.54 0.00 0.00 175.26 175.10 1htg s ILE 66 N 1.20 3.00 -1.21 -3.70 1.01 0.12 -0.43 121.20 121.18 1htg s ILE 66 Ca 0.03 -1.49 -0.30 0.00 0.00 0.00 0.00 60.65 58.88 1htg s ILE 66 Cb -0.14 -2.78 0.03 0.00 0.01 0.00 0.00 42.46 39.58 1htg s ILE 66 CO -0.00 -0.19 0.68 0.00 0.00 0.00 0.00 174.94 175.43 1htg n GLY 68 N -2.02 2.00 3.63 0.00 0.00 -1.26 -4.96 105.19 102.58 1htg n GLY 68 Ca -0.12 -0.35 -0.43 0.00 0.00 0.00 0.00 46.02 45.13 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 -0.22 1.86 0.19 1.61 4.02 -0.82 -5.00 115.29 116.92 1htg s HIS 69 Ca 0.00 0.42 -0.16 0.00 1.02 0.00 0.00 55.06 56.33 1htg s HIS 69 Cb 0.00 -4.01 -0.08 0.00 -1.02 0.00 0.00 32.58 27.47 1htg s HIS 69 CO 0.00 -3.43 0.63 -1.59 1.02 0.00 0.00 174.74 171.36 1htg s LYS 70 N 4.92 4.09 0.04 1.40 -2.85 -1.26 0.16 119.74 126.23 1htg s LYS 70 Ca 0.78 0.65 0.00 0.00 -1.00 0.00 0.00 55.97 56.40 1htg s LYS 70 Cb -0.28 -2.88 -0.03 0.00 -2.06 0.00 0.00 37.83 32.58 1htg s LYS 70 CO 0.32 0.43 -0.04 0.00 0.10 0.00 0.00 175.35 176.15 1htg s ALA 71 N -1.52 0.35 -0.02 0.59 0.00 0.36 -4.88 121.76 116.63 1htg s ALA 71 Ca 0.41 -0.80 0.06 0.00 0.00 0.00 0.00 51.96 51.63 1htg s ALA 71 Cb -0.15 0.15 -0.01 0.00 0.00 0.00 0.00 23.12 23.10 1htg s ALA 71 CO 0.20 -0.18 -0.21 -1.50 0.00 0.00 0.00 175.76 174.07 1htg s ILE 72 N -2.07 1.68 -0.48 0.00 2.07 -1.26 -0.22 121.20 120.91 1htg s ILE 72 Ca -0.08 -0.90 0.00 0.00 -1.41 0.00 0.00 60.65 58.26 1htg s ILE 72 Cb -0.05 -1.40 0.00 0.00 0.13 0.00 0.00 42.46 41.14 1htg s ILE 72 CO -0.03 0.47 0.00 0.61 -1.91 0.00 0.00 174.94 174.09 1htg n GLY 73 N 2.65 -0.63 3.73 1.50 0.00 -0.47 -4.92 105.19 107.05 1htg n GLY 73 Ca -0.16 -0.54 -0.41 0.00 0.00 0.00 0.00 46.02 44.92 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 -3.31 4.38 -0.11 2.61 2.01 -1.26 -1.22 115.64 118.73 1htg s THR 74 Ca 0.00 1.95 0.03 0.00 0.31 0.00 0.00 61.69 63.98 1htg s THR 74 Cb 0.00 -4.25 -0.00 0.00 0.01 0.00 0.00 72.50 68.26 1htg s THR 74 CO 0.00 0.29 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.32 1htg s VAL 75 N 0.08 2.32 -0.12 3.82 1.01 0.14 -4.37 120.40 123.27 1htg s VAL 75 Ca 0.48 -0.92 -0.07 0.00 0.00 0.00 0.00 61.98 61.47 1htg s VAL 75 Cb -0.25 -1.91 -0.04 0.00 0.00 0.00 0.00 36.38 34.18 1htg s VAL 75 CO 0.31 0.55 0.13 -0.76 0.00 0.00 0.00 175.10 175.32 1htg s LEU 76 N 0.36 4.30 -0.12 3.92 1.43 0.45 -0.37 118.68 128.66 1htg s LEU 76 Ca -0.16 0.43 0.03 0.00 -1.03 0.00 0.00 54.13 53.39 1htg s LEU 76 Cb -0.17 -2.05 0.01 0.00 0.03 0.00 0.00 46.19 44.01 1htg s LEU 76 CO 0.08 0.40 -0.22 -0.69 0.23 0.00 0.00 176.35 176.14 1htg s VAL 77 N -0.95 1.98 -0.02 -1.59 1.01 -0.54 0.46 120.40 120.76 1htg s VAL 77 Ca 0.14 -0.95 -0.09 0.00 0.00 0.00 0.00 61.98 61.08 1htg s VAL 77 Cb -0.12 -1.74 0.03 0.00 0.00 0.00 0.00 36.38 34.55 1htg s VAL 77 CO 0.04 0.54 0.42 0.61 0.00 0.00 0.00 175.10 176.71 1htg n GLY 78 N 3.86 0.38 2.26 4.51 0.00 -0.33 -1.05 105.19 114.83 1htg n GLY 78 Ca -0.20 -0.88 -0.23 0.00 0.00 0.00 0.00 46.02 44.71 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 -0.31 2.53 -2.86 1.61 -0.04 -1.26 -2.62 135.00 132.05 1htg n PRO 79 Ca 0.02 -1.47 -0.39 0.00 -0.04 0.00 0.00 63.50 61.62 1htg n PRO 79 Cb 0.18 -2.35 -0.06 0.00 -0.04 0.00 0.00 33.50 31.23 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 2.00 4.24 0.35 0.52 -1.32 -1.26 -4.96 115.64 115.20 1htg s THR 80 Ca 0.59 1.84 0.31 0.00 -1.21 0.00 0.00 61.69 63.22 1htg s THR 80 Cb 0.21 -4.16 0.33 0.00 -1.51 0.00 0.00 72.50 67.37 1htg s THR 80 CO -0.03 0.41 2.07 1.55 -2.21 0.00 0.00 174.62 176.41 1htg h PRO 81 N 3.93 0.00 -3.47 7.08 0.13 -1.98 -3.43 132.00 134.27 1htg h PRO 81 Ca -0.46 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.55 1htg h PRO 81 Cb 1.20 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.15 1htg h PRO 81 CO 0.66 0.09 -0.37 0.54 -0.23 0.00 0.00 178.00 178.69 1htg s VAL 82 N -4.00 0.10 0.23 1.56 0.11 -1.26 -5.06 120.40 112.08 1htg s VAL 82 Ca -0.02 -0.80 -0.30 0.00 -2.93 0.00 0.00 61.98 57.94 1htg s VAL 82 Cb 0.12 -0.83 -0.09 0.00 -1.53 0.00 0.00 36.38 34.05 1htg s VAL 82 CO 0.55 -0.44 1.21 0.20 -3.33 0.00 0.00 175.10 173.29 1htg s ASN 83 N -1.92 7.05 -0.09 3.54 0.01 -1.26 -4.59 114.94 117.68 1htg s ASN 83 Ca -0.07 2.33 0.01 0.00 -0.71 0.00 0.00 52.86 54.42 1htg s ASN 83 Cb -0.02 -2.62 0.02 0.00 0.41 0.00 0.00 41.25 39.04 1htg s ASN 83 CO -0.02 -0.37 -0.08 -0.63 -1.51 0.00 0.00 177.10 174.49 1htg s ILE 84 N -0.43 0.98 -0.32 0.60 1.01 -0.48 -0.75 121.20 121.80 1htg s ILE 84 Ca 0.51 -0.31 -0.15 0.00 0.00 0.00 0.00 60.65 60.69 1htg s ILE 84 Cb -0.34 -0.97 -0.02 0.00 0.01 0.00 0.00 42.46 41.14 1htg s ILE 84 CO 0.40 0.34 0.37 -0.63 0.00 0.00 0.00 174.94 175.43 1htg s ILE 85 N 1.28 5.16 0.52 2.92 -1.09 0.11 -2.05 121.20 128.05 1htg s ILE 85 Ca -0.03 0.24 0.08 0.00 -2.23 0.00 0.00 60.65 58.71 1htg s ILE 85 Cb -0.14 -3.78 0.09 0.00 -1.58 0.00 0.00 42.46 37.05 1htg s ILE 85 CO -0.03 -0.01 0.72 0.61 -1.23 0.00 0.00 174.94 175.00 1htg n GLY 86 N 4.86 1.85 0.32 6.18 0.00 -1.24 -0.52 105.19 116.64 1htg n GLY 86 Ca -0.09 -2.20 0.11 0.00 0.00 0.00 0.00 46.02 43.85 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 0.17 -0.94 1.61 3.08 -0.68 -1.60 114.38 116.01 1htg h ARG 87 Ca -0.24 -0.01 0.20 0.00 0.07 0.00 0.00 59.98 60.00 1htg h ARG 87 Cb 1.10 -0.04 -0.08 0.00 0.08 0.00 0.00 29.97 31.03 1htg h ARG 87 CO 0.34 0.11 0.61 -2.95 -1.07 0.00 0.00 179.97 177.01 1htg h ASN 88 N 0.17 0.51 0.00 7.04 -1.07 -1.77 -2.15 115.58 118.32 1htg h ASN 88 Ca 0.14 0.06 -0.16 0.00 0.07 0.00 0.00 56.30 56.41 1htg h ASN 88 Cb 0.35 -0.03 -0.03 0.00 -2.07 0.00 0.00 38.32 36.54 1htg h ASN 88 CO -0.02 0.19 -2.04 0.18 0.07 0.00 0.00 177.43 175.81 1htg n LEU 89 N -4.58 0.00 -0.32 6.14 4.77 -0.80 -4.36 117.00 117.85 1htg n LEU 89 Ca 0.21 0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 56.19 1htg n LEU 89 Cb 0.68 0.22 0.13 0.00 -2.33 0.00 0.00 43.42 42.12 1htg n LEU 89 CO 0.28 0.22 1.21 -0.07 -1.33 0.00 0.00 177.39 177.69 1htg h LEU 90 N 0.00 0.88 -1.11 2.23 3.38 -1.11 -1.84 115.31 117.74 1htg h LEU 90 Ca -0.24 0.01 0.08 0.00 0.09 0.00 0.00 57.88 57.82 1htg h LEU 90 Cb 1.47 -0.18 -0.07 0.00 0.09 0.00 0.00 40.66 41.98 1htg h LEU 90 CO 0.01 0.58 0.61 0.71 0.09 0.00 0.00 178.44 180.44 1htg h THR 91 N 1.02 1.02 -0.11 0.22 1.35 -1.62 -1.67 112.91 113.14 1htg h THR 91 Ca 0.37 -0.35 -0.07 0.00 -0.55 0.00 0.00 66.41 65.81 1htg h THR 91 Cb 0.11 -0.08 -0.01 0.00 -1.73 0.00 0.00 68.15 66.43 1htg h THR 91 CO -0.15 0.19 -0.25 1.56 -0.25 0.00 0.00 175.52 176.62 1htg h GLN 92 N 1.02 0.19 -0.51 4.72 1.08 -1.54 -1.65 115.11 118.43 1htg h GLN 92 Ca 0.42 -0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.56 1htg h GLN 92 Cb 0.29 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.70 1htg h GLN 92 CO -0.18 0.43 0.00 0.44 -0.95 0.00 0.00 178.83 178.57 1htg n ILE 93 N -4.18 0.79 -1.38 2.54 -5.35 -1.12 -4.94 119.36 105.71 1htg n ILE 93 Ca -0.01 -0.57 -0.08 0.00 -0.27 0.00 0.00 62.75 61.81 1htg n ILE 93 Cb 0.35 0.06 -0.03 0.00 -1.74 0.00 0.00 39.64 38.27 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 0.86 0.88 3.71 3.28 0.00 -0.62 -4.96 105.19 108.34 1htg n GLY 94 Ca 0.13 -0.64 -0.42 0.00 0.00 0.00 0.00 46.02 45.09 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 1.54 1.41 -0.23 0.00 -4.23 -1.26 -4.69 115.64 108.18 1htg s THR 96 Ca 0.66 -2.09 -0.06 0.00 -1.18 0.00 0.00 61.69 59.01 1htg s THR 96 Cb -0.36 -2.41 -0.03 0.00 1.34 0.00 0.00 72.50 71.04 1htg s THR 96 CO 0.30 -0.31 0.04 -0.22 -0.54 0.00 0.00 174.62 173.89 1htg s LEU 97 N -3.39 3.38 -0.07 4.79 2.96 -1.26 -5.09 118.68 120.00 1htg s LEU 97 Ca 0.29 -0.19 0.04 0.00 -0.22 0.00 0.00 54.13 54.04 1htg s LEU 97 Cb 0.05 -1.88 0.00 0.00 0.50 0.00 0.00 46.19 44.85 1htg s LEU 97 CO 0.11 0.01 -0.19 0.20 -1.32 0.00 0.00 176.35 175.16 1htg s ASN 98 N 1.31 2.50 0.00 3.68 -0.87 -1.26 -5.30 114.94 115.00 1htg s ASN 98 Ca 0.04 -0.43 0.00 0.00 -1.57 0.00 0.00 52.86 50.90 1htg s ASN 98 Cb -0.15 -0.99 0.00 0.00 -0.02 0.00 0.00 41.25 40.09 1htg s ASN 98 CO 0.02 0.13 0.00 2.22 -2.57 0.00 0.00 177.10 176.91