#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3do8 s VAL 3 N 0.00 1.32 -0.16 -0.18 1.01 -1.26 -0.59 120.40 120.54 3do8 s VAL 3 Ca 0.00 -0.66 -0.06 0.00 0.00 0.00 0.00 61.98 61.26 3do8 s VAL 3 Cb 0.00 -1.13 -0.04 0.00 0.00 0.00 0.00 36.38 35.21 3do8 s VAL 3 CO 0.00 0.38 0.03 0.00 0.00 0.00 0.00 175.10 175.52 3do8 s ALA 4 N 0.00 3.32 -0.04 5.51 0.00 -0.35 -4.64 121.76 125.57 3do8 s ALA 4 Ca -0.02 -0.76 -0.02 0.00 0.00 0.00 0.00 51.96 51.16 3do8 s ALA 4 Cb -0.10 -1.76 0.03 0.00 0.00 0.00 0.00 23.12 21.28 3do8 s ALA 4 CO 0.02 0.29 0.08 -1.17 0.00 0.00 0.00 175.76 174.97 3do8 s LEU 5 N 0.06 1.09 0.04 0.00 2.96 -1.26 -0.99 118.68 120.58 3do8 s LEU 5 Ca 0.04 0.15 0.00 0.00 -0.22 0.00 0.00 54.13 54.11 3do8 s LEU 5 Cb -0.13 0.15 -0.03 0.00 0.50 0.00 0.00 46.19 46.69 3do8 s LEU 5 CO 0.01 -0.11 -0.04 -0.83 -1.32 0.00 0.00 176.35 174.06 3do8 s GLY 6 N 0.89 0.41 -0.09 7.98 0.00 -1.26 -0.75 107.32 114.50 3do8 s GLY 6 Ca -0.07 -0.88 -0.32 0.00 0.00 0.00 0.00 44.72 43.45 3do8 s GLY 6 CO -0.03 -0.97 1.40 -0.32 0.00 0.00 0.00 173.10 173.18 3do8 s GLY 7 N -2.08 -0.34 -0.14 0.20 0.00 -0.86 -4.96 107.32 99.14 3do8 s GLY 7 Ca -0.05 0.50 0.01 0.00 0.00 0.00 0.00 44.72 45.18 3do8 s GLY 7 CO -0.04 3.95 0.28 2.41 0.00 0.00 0.00 173.10 179.69 3do8 n THR 8 N -0.77 1.66 -3.11 0.90 -1.04 -1.26 -1.34 114.28 109.31 3do8 n THR 8 Ca -0.01 -0.68 -0.18 0.00 -2.04 0.00 0.00 64.05 61.14 3do8 n THR 8 Cb 0.61 -1.43 0.05 0.00 -1.82 0.00 0.00 70.33 67.73 3do8 n THR 8 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 3do8 n PHE 9 N -3.29 -1.91 -3.92 -1.42 3.72 -1.26 -4.76 117.46 104.61 3do8 n PHE 9 Ca -0.32 0.61 -0.28 0.00 -0.05 0.00 0.00 57.45 57.41 3do8 n PHE 9 Cb 1.05 -3.97 -0.17 0.00 -0.94 0.00 0.00 39.48 35.45 3do8 n PHE 9 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 3do8 s GLU 10 N -5.74 1.65 1.05 -1.08 2.12 -1.26 -3.26 118.70 112.18 3do8 s GLU 10 Ca 0.35 -0.42 -0.14 0.00 0.36 0.00 0.00 54.97 55.13 3do8 s GLU 10 Cb -0.16 -1.85 0.22 0.00 0.26 0.00 0.00 34.13 32.61 3do8 s GLU 10 CO 0.44 -0.32 1.09 -1.25 -0.54 0.00 0.00 175.26 174.68 3do8 s PRO 11 N 1.63 -0.01 -0.71 4.30 0.04 -1.26 -5.01 135.00 133.98 3do8 s PRO 11 Ca 0.03 0.40 -0.25 0.00 0.04 0.00 0.00 61.00 61.23 3do8 s PRO 11 Cb -0.14 -1.70 0.05 0.00 0.04 0.00 0.00 34.50 32.76 3do8 s PRO 11 CO -0.08 -3.00 1.13 -1.17 0.04 0.00 0.00 177.00 173.91 3do8 s LEU 12 N -6.61 3.78 0.00 -3.56 2.96 -1.20 -4.99 118.68 109.07 3do8 s LEU 12 Ca 0.67 -0.76 0.06 0.00 -0.22 0.00 0.00 54.13 53.88 3do8 s LEU 12 Cb -0.17 -2.49 0.06 0.00 0.50 0.00 0.00 46.19 44.09 3do8 s LEU 12 CO 0.58 -1.63 0.51 0.00 -1.32 0.00 0.00 176.35 174.49 3do8 n HIS 13 N 8.53 -0.94 0.11 5.38 1.44 -1.26 -4.96 115.22 123.51 3do8 n HIS 13 Ca 0.01 -2.34 0.03 0.00 -2.01 0.00 0.00 57.72 53.41 3do8 n HIS 13 Cb 0.47 -0.48 0.42 0.00 0.12 0.00 0.00 29.99 30.52 3do8 n HIS 13 CO 0.00 0.00 0.00 1.49 -2.81 0.00 0.00 176.34 175.02 3do8 h GLU 14 N 0.00 0.28 -0.60 -1.40 4.57 -1.96 -1.35 114.58 114.12 3do8 h GLU 14 Ca -0.34 -0.05 -0.00 0.00 -1.18 0.00 0.00 59.36 57.79 3do8 h GLU 14 Cb 1.30 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 29.81 3do8 h GLU 14 CO 0.52 0.34 0.37 0.78 -1.18 0.00 0.00 179.01 179.84 3do8 h GLY 15 N 0.62 0.86 1.19 1.92 0.00 -1.95 0.11 103.07 105.82 3do8 h GLY 15 Ca 0.06 -0.35 -0.02 0.00 0.00 0.00 0.00 47.33 47.02 3do8 h GLY 15 CO 0.01 0.34 0.36 0.45 0.00 0.00 0.00 176.54 177.70 3do8 h HIS 16 N 0.81 1.04 -0.58 5.60 3.86 -1.67 -1.28 115.15 122.94 3do8 h HIS 16 Ca 0.22 -0.04 -0.08 0.00 -1.16 0.00 0.00 60.37 59.30 3do8 h HIS 16 Cb -0.04 -0.33 -0.02 0.00 1.06 0.00 0.00 27.41 28.08 3do8 h HIS 16 CO -0.02 0.75 0.03 0.87 0.86 0.00 0.00 177.93 180.42 3do8 h LYS 17 N 1.04 1.01 -0.40 2.45 1.57 -0.72 0.82 116.57 122.34 3do8 h LYS 17 Ca 0.26 -0.30 -0.05 0.00 -1.87 0.00 0.00 60.65 58.68 3do8 h LYS 17 Cb 0.09 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 3do8 h LYS 17 CO -0.03 0.98 0.06 0.87 -0.57 0.00 0.00 179.45 180.76 3do8 h LYS 18 N 0.90 0.67 -0.25 3.15 1.79 -0.73 -0.51 116.57 121.59 3do8 h LYS 18 Ca 0.17 -0.19 0.05 0.00 -2.18 0.00 0.00 60.65 58.51 3do8 h LYS 18 Cb 0.51 -0.08 -0.05 0.00 -1.58 0.00 0.00 32.23 31.03 3do8 h LYS 18 CO 0.02 0.73 -0.09 1.25 -1.08 0.00 0.00 179.45 180.28 3do8 h LEU 19 N 0.52 -0.32 -0.81 2.94 5.85 -0.96 -1.08 115.31 121.45 3do8 h LEU 19 Ca 0.12 0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.91 3do8 h LEU 19 Cb 0.38 0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.57 3do8 h LEU 19 CO 0.01 -0.12 0.44 0.40 -0.34 0.00 0.00 178.44 178.82 3do8 h ILE 20 N -0.04 1.24 -0.09 4.05 2.04 -0.73 -0.34 117.51 123.64 3do8 h ILE 20 Ca 0.13 -0.61 0.00 0.00 1.00 0.00 0.00 64.86 65.38 3do8 h ILE 20 Cb 0.24 0.17 -0.00 0.00 -0.74 0.00 0.00 36.82 36.49 3do8 h ILE 20 CO -0.29 0.27 0.06 -0.78 0.00 0.00 0.00 178.15 177.41 3do8 h ASP 21 N 1.13 0.11 -0.45 1.72 3.58 -0.56 -0.06 116.42 121.88 3do8 h ASP 21 Ca 0.28 -0.03 -0.00 0.00 0.42 0.00 0.00 57.03 57.70 3do8 h ASP 21 Cb 0.04 -0.03 -0.02 0.00 1.72 0.00 0.00 39.33 41.04 3do8 h ASP 21 CO -0.04 0.10 0.28 0.58 -2.88 0.00 0.00 179.24 177.28 3do8 h VAL 22 N 0.10 1.14 -0.70 2.25 2.07 -1.01 -0.89 116.25 119.21 3do8 h VAL 22 Ca 0.03 -0.31 0.02 0.00 0.82 0.00 0.00 66.70 67.26 3do8 h VAL 22 Cb 0.01 0.53 -0.04 0.00 -1.52 0.00 0.00 31.29 30.27 3do8 h VAL 22 CO -0.01 0.14 0.45 0.00 0.02 0.00 0.00 177.57 178.18 3do8 h ALA 23 N 1.13 0.90 -0.25 1.67 0.00 -0.76 -0.55 119.26 121.40 3do8 h ALA 23 Ca 0.16 -0.04 -0.17 0.00 0.00 0.00 0.00 54.91 54.87 3do8 h ALA 23 Cb -0.01 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.51 3do8 h ALA 23 CO -0.03 0.27 -0.51 0.82 0.00 0.00 0.00 179.25 179.80 3do8 h ILE 24 N 0.91 1.30 -0.58 0.00 2.04 -0.82 0.22 117.51 120.58 3do8 h ILE 24 Ca 0.27 -1.72 -0.03 0.00 1.00 0.00 0.00 64.86 64.37 3do8 h ILE 24 Cb -0.06 1.65 -0.03 0.00 -0.74 0.00 0.00 36.82 37.65 3do8 h ILE 24 CO -0.08 0.55 0.24 0.11 0.00 0.00 0.00 178.15 178.97 3do8 h LYS 25 N 0.55 0.84 0.07 2.37 1.57 -0.87 0.35 116.57 121.46 3do8 h LYS 25 Ca 0.02 -0.12 -0.25 0.00 -1.87 0.00 0.00 60.65 58.43 3do8 h LYS 25 Cb 1.08 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 33.23 3do8 h LYS 25 CO 0.11 0.68 -1.17 -0.07 -0.57 0.00 0.00 179.45 178.42 3do8 h LEU 26 N 0.83 0.23 0.00 2.94 3.38 -0.86 -3.40 115.31 118.44 3do8 h LEU 26 Ca 0.20 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3do8 h LEU 26 Cb 0.15 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.82 3do8 h LEU 26 CO -0.02 1.20 -1.07 0.61 0.09 0.00 0.00 178.44 179.25 3do8 n GLY 27 N 1.47 -0.18 7.00 0.83 0.00 0.74 -4.88 105.19 110.16 3do8 n GLY 27 Ca -0.06 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.76 3do8 n GLY 27 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3do8 n GLY 28 N 1.78 -1.40 0.08 -0.02 0.00 0.12 -4.11 105.19 101.64 3do8 n GLY 28 Ca -0.01 -1.25 0.15 0.00 0.00 0.00 0.00 46.02 44.92 3do8 n GLY 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3do8 n ARG 29 N -0.39 0.95 -0.18 1.61 1.74 -1.26 -2.58 116.66 116.55 3do8 n ARG 29 Ca 0.00 -0.16 -0.02 0.00 -0.77 0.00 0.00 57.85 56.90 3do8 n ARG 29 Cb 0.00 -1.50 0.08 0.00 -1.02 0.00 0.00 32.46 30.03 3do8 n ARG 29 CO 0.00 0.00 0.00 0.22 -1.52 0.00 0.00 177.63 176.33 3do8 h ASP 30 N 0.39 0.17 -4.12 0.55 3.58 -1.96 -3.47 116.42 111.55 3do8 h ASP 30 Ca 0.00 0.07 -0.54 0.00 0.42 0.00 0.00 57.03 56.98 3do8 h ASP 30 Cb 0.16 0.06 0.14 0.00 1.72 0.00 0.00 39.33 41.42 3do8 h ASP 30 CO 0.00 0.11 0.48 0.27 -2.88 0.00 0.00 179.24 177.22 3do8 s ILE 31 N -6.12 2.26 -0.14 2.25 -4.36 -1.07 -4.85 121.20 109.18 3do8 s ILE 31 Ca -0.13 0.16 -0.06 0.00 -0.26 0.00 0.00 60.65 60.36 3do8 s ILE 31 Cb 0.16 -3.00 -0.04 0.00 1.25 0.00 0.00 42.46 40.83 3do8 s ILE 31 CO 0.74 -0.04 0.05 0.42 0.24 0.00 0.00 174.94 176.34 3do8 s THR 32 N -1.56 4.69 -0.18 8.37 -4.23 -1.26 -3.24 115.64 118.22 3do8 s THR 32 Ca 0.80 -0.08 -0.07 0.00 -1.18 0.00 0.00 61.69 61.15 3do8 s THR 32 Cb -0.34 -3.06 -0.04 0.00 1.34 0.00 0.00 72.50 70.40 3do8 s THR 32 CO 0.39 0.53 0.05 -0.63 -0.54 0.00 0.00 174.62 174.42 3do8 s ILE 33 N -0.17 4.71 0.01 2.99 1.01 0.19 -4.39 121.20 125.55 3do8 s ILE 33 Ca 0.07 -0.07 -0.21 0.00 0.00 0.00 0.00 60.65 60.44 3do8 s ILE 33 Cb -0.12 -3.11 -0.05 0.00 0.01 0.00 0.00 42.46 39.18 3do8 s ILE 33 CO 0.01 0.47 0.63 -0.83 0.00 0.00 0.00 174.94 175.22 3do8 s GLY 34 N 0.32 2.65 -0.09 6.18 0.00 0.07 -1.29 107.32 115.17 3do8 s GLY 34 Ca 0.03 0.08 0.03 0.00 0.00 0.00 0.00 44.72 44.86 3do8 s GLY 34 CO 0.00 0.80 -0.18 0.14 0.00 0.00 0.00 173.10 173.87 3do8 s VAL 35 N -0.24 1.62 0.46 1.40 1.01 -0.15 -2.04 120.40 122.46 3do8 s VAL 35 Ca 0.32 -0.75 -0.25 0.00 0.00 0.00 0.00 61.98 61.31 3do8 s VAL 35 Cb -0.19 -1.44 -0.08 0.00 0.00 0.00 0.00 36.38 34.67 3do8 s VAL 35 CO 0.18 0.46 1.44 0.35 0.00 0.00 0.00 175.10 177.54 3do8 n THR 36 N 3.84 2.86 -0.57 3.92 -2.24 -0.45 -1.25 114.28 120.39 3do8 n THR 36 Ca -0.20 -0.50 -0.29 0.00 -2.27 0.00 0.00 64.05 60.79 3do8 n THR 36 Cb 0.52 -1.85 0.23 0.00 -2.10 0.00 0.00 70.33 67.12 3do8 n THR 36 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3do8 s SER 37 N -0.48 1.56 0.24 3.42 1.04 -0.16 -4.72 113.70 114.59 3do8 s SER 37 Ca 0.62 1.77 -0.07 0.00 0.48 0.00 0.00 55.95 58.74 3do8 s SER 37 Cb -0.44 -2.41 0.23 0.00 0.10 0.00 0.00 66.02 63.49 3do8 s SER 37 CO 0.57 -3.88 1.91 0.44 0.98 0.00 0.00 173.24 173.26 3do8 h ASP 38 N -2.40 1.08 0.12 7.02 3.32 -1.94 -0.55 116.42 123.06 3do8 h ASP 38 Ca -0.55 -0.03 0.01 0.00 0.02 0.00 0.00 57.03 56.47 3do8 h ASP 38 Cb 1.31 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 40.58 3do8 h ASP 38 CO 0.47 0.79 -0.13 -0.09 -1.72 0.00 0.00 179.24 178.55 3do8 h ARG 39 N 1.28 -0.28 -0.62 3.56 2.43 -1.96 -1.33 114.38 117.46 3do8 h ARG 39 Ca 0.34 0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.51 3do8 h ARG 39 Cb -0.14 0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.44 3do8 h ARG 39 CO -0.07 -0.18 0.32 0.52 -1.51 0.00 0.00 179.97 179.04 3do8 h MET 40 N -0.29 0.89 -0.53 0.20 2.86 -1.85 -2.53 114.93 113.67 3do8 h MET 40 Ca 0.01 -0.12 0.04 0.00 -2.06 0.00 0.00 59.70 57.57 3do8 h MET 40 Cb 0.28 -0.16 -0.04 0.00 0.06 0.00 0.00 31.60 31.73 3do8 h MET 40 CO -0.05 0.70 0.28 0.00 1.06 0.00 0.00 176.91 178.90 3do8 h ALA 41 N 1.14 0.69 0.00 6.32 0.00 -0.94 -2.99 119.26 123.48 3do8 h ALA 41 Ca 0.22 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3do8 h ALA 41 Cb 0.09 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3do8 h ALA 41 CO -0.03 -0.06 0.00 0.00 0.00 0.00 0.00 179.25 179.16 3do8 h ARG 42 N 0.54 0.00 -0.17 0.00 3.08 -1.07 0.14 114.38 116.91 3do8 h ARG 42 Ca 0.23 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 60.15 3do8 h ARG 42 Cb 0.13 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 3do8 h ARG 42 CO -0.16 0.00 -0.48 0.00 -1.07 0.00 0.00 179.97 178.27 3do8 h ALA 43 N 2.02 0.86 0.00 0.04 0.00 -1.31 -3.32 119.26 117.55 3do8 h ALA 43 Ca 0.00 -0.47 -0.29 0.00 0.00 0.00 0.00 54.91 54.15 3do8 h ALA 43 Cb 0.66 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.30 3do8 h ALA 43 CO 0.00 0.66 -1.96 0.54 0.00 0.00 0.00 179.25 178.49 3do8 n ARG 44 N -3.98 0.66 -3.81 0.00 1.74 -0.92 -5.02 116.66 105.33 3do8 n ARG 44 Ca -0.02 0.13 -0.10 0.00 -0.77 0.00 0.00 57.85 57.09 3do8 n ARG 44 Cb 0.55 -1.67 -0.06 0.00 -1.02 0.00 0.00 32.46 30.27 3do8 n ARG 44 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 3do8 s ILE 45 N -2.66 0.07 -1.36 0.55 1.10 -0.01 -5.05 121.20 113.84 3do8 s ILE 45 Ca -0.07 -1.00 -0.15 0.00 -0.51 0.00 0.00 60.65 58.93 3do8 s ILE 45 Cb 0.08 -1.54 -0.01 0.00 0.15 0.00 0.00 42.46 41.14 3do8 s ILE 45 CO 0.83 -0.30 2.25 0.54 -2.11 0.00 0.00 174.94 176.15 3do8 n ARG 46 N -0.23 2.71 -2.71 3.50 1.74 -1.26 -3.91 116.66 116.50 3do8 n ARG 46 Ca -0.11 -2.42 -0.42 0.00 -0.77 0.00 0.00 57.85 54.14 3do8 n ARG 46 Cb 0.63 -3.16 -0.04 0.00 -1.02 0.00 0.00 32.46 28.87 3do8 n ARG 46 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3do8 s SER 47 N 3.38 7.42 0.00 0.55 0.15 -1.26 -4.95 113.70 118.99 3do8 s SER 47 Ca 0.51 1.74 0.00 0.00 0.70 0.00 0.00 55.95 58.90 3do8 s SER 47 Cb 0.14 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.87 3do8 s SER 47 CO -0.05 -0.18 0.64 1.33 1.20 0.00 0.00 173.24 176.17 3do8 n VAL 48 N 3.37 0.30 -3.99 4.45 0.24 -1.26 -4.90 118.33 116.55 3do8 n VAL 48 Ca 0.04 -0.63 -0.35 0.00 -2.04 0.00 0.00 64.34 61.37 3do8 n VAL 48 Cb 0.50 0.88 -0.11 0.00 -1.47 0.00 0.00 33.84 33.64 3do8 n VAL 48 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3do8 s LEU 49 N -0.30 3.64 0.62 1.34 1.43 -1.26 -5.09 118.68 119.06 3do8 s LEU 49 Ca 0.00 -0.03 -0.18 0.00 -1.03 0.00 0.00 54.13 52.89 3do8 s LEU 49 Cb 0.00 -1.93 -0.04 0.00 0.03 0.00 0.00 46.19 44.25 3do8 s LEU 49 CO 0.00 0.11 1.07 -2.65 0.23 0.00 0.00 176.35 175.12 3do8 n PRO 50 N 3.94 0.97 -0.35 1.29 -0.02 -1.26 -4.74 135.00 134.83 3do8 n PRO 50 Ca -0.16 0.38 0.01 0.00 -2.02 0.00 0.00 63.50 61.71 3do8 n PRO 50 Cb 0.52 -2.29 0.07 0.00 -0.02 0.00 0.00 33.50 31.79 3do8 n PRO 50 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 3do8 h PHE 51 N 0.50 -0.85 -0.81 6.00 3.57 -1.93 -0.76 116.94 122.67 3do8 h PHE 51 Ca -0.49 0.10 0.06 0.00 3.53 0.00 0.00 57.97 61.16 3do8 h PHE 51 Cb 1.36 0.51 -0.05 0.00 2.79 0.00 0.00 35.95 40.56 3do8 h PHE 51 CO 0.38 -0.41 0.53 0.00 -2.23 0.00 0.00 178.31 176.59 3do8 h ALA 52 N 1.58 1.58 -0.10 2.41 0.00 -1.95 0.85 119.26 123.63 3do8 h ALA 52 Ca 0.38 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.22 3do8 h ALA 52 Cb 0.64 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 3do8 h ALA 52 CO -0.97 0.30 -0.11 0.82 0.00 0.00 0.00 179.25 179.30 3do8 h ILE 53 N 0.92 1.37 -0.55 0.00 1.08 -1.53 -1.53 117.51 117.26 3do8 h ILE 53 Ca 0.34 -1.29 -0.02 0.00 -0.39 0.00 0.00 64.86 63.51 3do8 h ILE 53 Cb 0.18 2.00 -0.03 0.00 -3.07 0.00 0.00 36.82 35.90 3do8 h ILE 53 CO -0.12 0.36 0.28 0.03 -0.69 0.00 0.00 178.15 178.02 3do8 h ARG 54 N -0.17 0.78 -0.44 2.37 3.08 -0.89 -0.63 114.38 118.48 3do8 h ARG 54 Ca 0.01 -0.10 -0.01 0.00 0.07 0.00 0.00 59.98 59.95 3do8 h ARG 54 Cb 0.64 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.52 3do8 h ARG 54 CO 0.03 0.63 0.25 0.00 -1.07 0.00 0.00 179.97 179.80 3do8 h ALA 55 N 1.12 0.57 -0.28 0.04 0.00 -0.85 -1.65 119.26 118.21 3do8 h ALA 55 Ca 0.19 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 3do8 h ALA 55 Cb 0.09 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3do8 h ALA 55 CO -0.03 0.08 -0.15 0.93 0.00 0.00 0.00 179.25 180.08 3do8 h GLU 56 N 0.58 0.48 -0.66 0.00 4.39 -1.09 -0.43 114.58 117.85 3do8 h GLU 56 Ca 0.16 -0.14 -0.03 0.00 0.34 0.00 0.00 59.36 59.68 3do8 h GLU 56 Cb 0.04 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.61 3do8 h GLU 56 CO -0.03 0.62 0.28 -0.91 -1.16 0.00 0.00 179.01 177.81 3do8 h ASN 57 N 0.44 0.89 -0.26 1.42 2.35 -0.72 -0.09 115.58 119.61 3do8 h ASN 57 Ca 0.08 -0.16 -0.05 0.00 -0.55 0.00 0.00 56.30 55.62 3do8 h ASN 57 Cb 0.52 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.65 3do8 h ASN 57 CO 0.03 0.81 -0.03 0.58 -1.65 0.00 0.00 177.43 177.17 3do8 h VAL 58 N 0.92 1.27 -0.27 2.81 2.07 -1.04 -2.14 116.25 119.88 3do8 h VAL 58 Ca 0.22 -0.99 0.00 0.00 0.82 0.00 0.00 66.70 66.75 3do8 h VAL 58 Cb 0.18 1.40 -0.01 0.00 -1.52 0.00 0.00 31.29 31.34 3do8 h VAL 58 CO -0.02 0.31 0.17 0.50 0.02 0.00 0.00 177.57 178.56 3do8 h LYS 59 N 0.24 0.35 -0.26 1.57 3.64 -0.81 -1.48 116.57 119.82 3do8 h LYS 59 Ca 0.07 -0.02 -0.12 0.00 -1.27 0.00 0.00 60.65 59.31 3do8 h LYS 59 Cb 0.47 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.20 3do8 h LYS 59 CO 0.02 0.23 -0.32 0.00 -2.27 0.00 0.00 179.45 177.11 3do8 h ARG 60 N 0.36 0.54 -0.27 1.90 3.08 -1.03 -1.25 114.38 117.71 3do8 h ARG 60 Ca 0.10 -0.24 -0.01 0.00 0.07 0.00 0.00 59.98 59.90 3do8 h ARG 60 Cb -0.04 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 3do8 h ARG 60 CO -0.02 0.80 0.14 -0.92 -1.07 0.00 0.00 179.97 178.90 3do8 h TYR 61 N 0.46 0.37 -0.62 3.04 3.20 -1.12 -0.56 116.97 121.75 3do8 h TYR 61 Ca 0.05 -0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.83 3do8 h TYR 61 Cb 0.79 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.92 3do8 h TYR 61 CO 0.03 0.32 0.07 0.28 -1.64 0.00 0.00 178.16 177.23 3do8 h VAL 62 N 0.31 1.26 -0.19 1.81 2.07 -1.06 -0.69 116.25 119.75 3do8 h VAL 62 Ca 0.09 -1.04 -0.01 0.00 0.82 0.00 0.00 66.70 66.57 3do8 h VAL 62 Cb 0.08 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 3do8 h VAL 62 CO -0.01 0.38 0.09 -0.03 0.02 0.00 0.00 177.57 178.02 3do8 h MET 63 N 0.96 0.28 -0.47 1.57 1.85 -0.96 0.22 114.93 118.38 3do8 h MET 63 Ca 0.19 -0.04 0.04 0.00 -0.61 0.00 0.00 59.70 59.27 3do8 h MET 63 Cb 0.45 -0.05 -0.04 0.00 0.43 0.00 0.00 31.60 32.39 3do8 h MET 63 CO 0.02 0.31 0.24 0.00 -0.40 0.00 0.00 176.91 177.07 3do8 h ARG 64 N 0.18 0.46 0.09 0.39 3.08 -0.77 -0.68 114.38 117.13 3do8 h ARG 64 Ca 0.07 -0.03 -0.30 0.00 0.07 0.00 0.00 59.98 59.79 3do8 h ARG 64 Cb 0.12 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.05 3do8 h ARG 64 CO -0.01 0.30 -1.56 -0.22 -1.07 0.00 0.00 179.97 177.42 3do8 h LYS 65 N 0.47 0.18 0.00 0.04 3.64 -0.98 -3.40 116.57 116.53 3do8 h LYS 65 Ca 0.20 -0.32 0.00 0.00 -1.27 0.00 0.00 60.65 59.27 3do8 h LYS 65 Cb 0.10 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 3do8 h LYS 65 CO -0.14 1.00 -0.36 0.66 -2.27 0.00 0.00 179.45 178.34 3do8 n TYR 66 N -3.37 0.00 -0.93 1.91 4.01 0.76 -5.04 117.16 114.50 3do8 n TYR 66 Ca -0.16 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.58 3do8 n TYR 66 Cb 1.04 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 40.05 3do8 n TYR 66 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3do8 n GLY 67 N 1.37 0.48 3.10 2.72 0.00 -0.26 -4.99 105.19 107.60 3do8 n GLY 67 Ca 0.00 -0.55 -0.10 0.00 0.00 0.00 0.00 46.02 45.37 3do8 n GLY 67 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3do8 s PHE 68 N -2.00 0.67 -0.44 1.61 -0.12 -1.26 -4.98 117.98 111.46 3do8 s PHE 68 Ca 0.00 -0.77 -0.21 0.00 -0.05 0.00 0.00 56.93 55.90 3do8 s PHE 68 Cb 0.00 -0.42 0.02 0.00 -0.63 0.00 0.00 43.02 42.00 3do8 s PHE 68 CO 0.00 -0.18 0.65 -1.21 -0.05 0.00 0.00 175.22 174.43 3do8 s GLU 69 N -2.88 3.28 0.62 1.99 2.02 -1.26 -2.58 118.70 119.89 3do8 s GLU 69 Ca 0.01 -0.36 -0.16 0.00 0.02 0.00 0.00 54.97 54.47 3do8 s GLU 69 Cb -0.01 -3.95 -0.02 0.00 0.10 0.00 0.00 34.13 30.25 3do8 s GLU 69 CO -0.04 -1.02 1.11 -1.25 0.02 0.00 0.00 175.26 174.09 3do8 s PRO 70 N 2.85 2.98 0.06 0.39 0.04 -1.26 -5.00 135.00 135.06 3do8 s PRO 70 Ca 0.23 1.45 -0.30 0.00 0.04 0.00 0.00 61.00 62.42 3do8 s PRO 70 Cb -0.14 -1.97 -0.05 0.00 0.04 0.00 0.00 34.50 32.38 3do8 s PRO 70 CO 0.19 -1.12 1.14 -2.00 0.04 0.00 0.00 177.00 175.25 3do8 s GLU 71 N -3.84 4.48 -0.11 4.56 2.12 -1.20 -4.94 118.70 119.77 3do8 s GLU 71 Ca 0.69 1.68 0.01 0.00 0.36 0.00 0.00 54.97 57.71 3do8 s GLU 71 Cb -0.21 -3.37 -0.02 0.00 0.26 0.00 0.00 34.13 30.79 3do8 s GLU 71 CO 0.37 -0.18 -0.12 0.42 -0.54 0.00 0.00 175.26 175.21 3do8 s ILE 72 N 0.93 3.15 -0.00 -3.70 -1.09 -1.26 0.57 121.20 119.79 3do8 s ILE 72 Ca 0.56 -0.65 0.07 0.00 -2.23 0.00 0.00 60.65 58.40 3do8 s ILE 72 Cb -0.27 -2.30 -0.02 0.00 -1.58 0.00 0.00 42.46 38.29 3do8 s ILE 72 CO 0.29 0.55 -0.22 -0.69 -1.23 0.00 0.00 174.94 173.64 3do8 s VAL 73 N -0.02 1.77 0.08 2.92 1.01 -0.41 -4.94 120.40 120.80 3do8 s VAL 73 Ca -0.03 -1.02 -0.31 0.00 0.00 0.00 0.00 61.98 60.62 3do8 s VAL 73 Cb -0.14 -1.48 -0.06 0.00 0.00 0.00 0.00 36.38 34.70 3do8 s VAL 73 CO 0.04 0.44 1.24 -0.75 0.00 0.00 0.00 175.10 176.07 3do8 s LYS 74 N -0.68 4.41 -0.36 2.72 2.20 -1.26 -0.98 119.74 125.78 3do8 s LYS 74 Ca 0.09 1.85 -0.19 0.00 -0.36 0.00 0.00 55.97 57.36 3do8 s LYS 74 Cb -0.09 -3.32 0.00 0.00 -1.51 0.00 0.00 37.83 32.92 3do8 s LYS 74 CO -0.00 -0.29 0.53 0.42 -0.36 0.00 0.00 175.35 175.65 3do8 s ILE 75 N 1.02 4.99 -0.48 5.43 1.01 -0.38 -4.87 121.20 127.91 3do8 s ILE 75 Ca 0.60 0.30 0.15 0.00 0.00 0.00 0.00 60.65 61.70 3do8 s ILE 75 Cb -0.31 -4.00 -0.18 0.00 0.01 0.00 0.00 42.46 37.97 3do8 s ILE 75 CO 0.30 -0.27 0.53 0.35 0.00 0.00 0.00 174.94 175.84 3do8 n THR 76 N 5.48 0.00 -4.25 2.92 -2.24 -1.26 -0.99 114.28 113.94 3do8 n THR 76 Ca -0.04 -0.21 -0.14 0.00 -2.27 0.00 0.00 64.05 61.39 3do8 n THR 76 Cb 0.49 0.74 -0.10 0.00 -2.10 0.00 0.00 70.33 69.36 3do8 n THR 76 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3do8 s ASN 77 N -2.79 0.67 0.52 3.42 2.20 -1.26 -4.90 114.94 112.80 3do8 s ASN 77 Ca 0.02 -1.36 0.34 0.00 -0.94 0.00 0.00 52.86 50.93 3do8 s ASN 77 Cb 0.11 0.27 1.61 0.00 -2.00 0.00 0.00 41.25 41.23 3do8 s ASN 77 CO 0.61 -0.77 2.03 -0.65 -2.94 0.00 0.00 177.10 175.38 3do8 h PRO 78 N 2.55 0.00 0.00 3.55 0.11 -2.03 -2.95 132.00 133.22 3do8 h PRO 78 Ca -0.37 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.69 3do8 h PRO 78 Cb 1.24 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 3do8 h PRO 78 CO 0.57 0.00 -1.60 0.66 -0.21 0.00 0.00 178.00 177.43 3do8 n TYR 79 N -2.89 0.47 -1.91 0.65 4.01 -1.26 -5.03 117.16 111.21 3do8 n TYR 79 Ca -0.00 0.14 0.00 0.00 -0.16 0.00 0.00 57.90 57.88 3do8 n TYR 79 Cb 0.20 -0.78 0.00 0.00 -0.31 0.00 0.00 39.34 38.46 3do8 n TYR 79 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3do8 n GLY 80 N 1.28 2.83 0.55 2.72 0.00 -1.12 -1.74 105.19 109.72 3do8 n GLY 80 Ca -0.05 -0.22 0.09 0.00 0.00 0.00 0.00 46.02 45.84 3do8 n GLY 80 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3do8 n LYS 81 N 14.00 1.71 0.00 1.61 5.02 -1.26 -4.57 118.16 134.67 3do8 n LYS 81 Ca 0.00 -1.08 0.11 0.00 -2.02 0.00 0.00 58.31 55.32 3do8 n LYS 81 Cb 0.00 -1.34 0.58 0.00 -0.02 0.00 0.00 35.03 34.25 3do8 n LYS 81 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3do8 n THR 82 N 0.33 0.28 0.63 -0.18 -2.24 -0.71 -2.09 114.28 110.29 3do8 n THR 82 Ca 0.14 0.07 0.11 0.00 -2.27 0.00 0.00 64.05 62.10 3do8 n THR 82 Cb 0.30 -0.68 -0.02 0.00 -2.10 0.00 0.00 70.33 67.83 3do8 n THR 82 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3do8 n LEU 83 N -1.31 0.62 -0.00 3.22 4.77 -1.26 -4.52 117.00 118.53 3do8 n LEU 83 Ca 0.11 -0.12 0.03 0.00 -0.03 0.00 0.00 56.01 55.99 3do8 n LEU 83 Cb 0.19 -0.07 -0.04 0.00 -2.33 0.00 0.00 43.42 41.17 3do8 n LEU 83 CO 0.18 0.09 -0.44 -0.67 -1.33 0.00 0.00 177.39 175.22 3do8 n ASP 84 N -1.86 2.87 -4.37 -1.43 2.03 -0.98 -4.98 116.55 107.82 3do8 n ASP 84 Ca 0.02 -0.15 -0.32 0.00 0.52 0.00 0.00 54.79 54.86 3do8 n ASP 84 Cb 0.42 1.20 -0.15 0.00 -0.72 0.00 0.00 41.12 41.88 3do8 n ASP 84 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 3do8 s VAL 85 N -2.20 2.63 -1.28 5.18 1.01 -0.89 -5.04 120.40 119.82 3do8 s VAL 85 Ca -0.01 -0.86 -0.11 0.00 0.00 0.00 0.00 61.98 61.00 3do8 s VAL 85 Cb 0.04 -2.02 0.16 0.00 0.00 0.00 0.00 36.38 34.56 3do8 s VAL 85 CO 0.24 0.57 1.80 0.47 0.00 0.00 0.00 175.10 178.18 3do8 n ASP 86 N 2.79 5.05 -4.74 3.32 8.00 -1.26 -4.79 116.55 124.91 3do8 n ASP 86 Ca -0.17 -3.06 -0.37 0.00 0.71 0.00 0.00 54.79 51.89 3do8 n ASP 86 Cb 0.52 -1.52 0.05 0.00 -0.02 0.00 0.00 41.12 40.15 3do8 n ASP 86 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3do8 s PHE 87 N 0.89 2.26 0.02 1.24 0.08 -1.26 -4.95 117.98 116.26 3do8 s PHE 87 Ca 0.41 1.46 -0.18 0.00 0.12 0.00 0.00 56.93 58.74 3do8 s PHE 87 Cb 0.07 -3.66 -0.25 0.00 -0.57 0.00 0.00 43.02 38.61 3do8 s PHE 87 CO 0.00 -2.67 1.10 0.93 -0.10 0.00 0.00 175.22 174.48 3do8 h GLU 88 N 0.99 0.51 -4.42 0.44 5.08 -1.24 -3.43 114.58 112.51 3do8 h GLU 88 Ca -0.51 -0.59 -0.29 0.00 -1.00 0.00 0.00 59.36 56.97 3do8 h GLU 88 Cb 1.31 0.18 -0.25 0.00 0.50 0.00 0.00 28.75 30.50 3do8 h GLU 88 CO 0.55 1.22 -0.74 0.71 -1.00 0.00 0.00 179.01 179.75 3do8 s TYR 89 N -3.11 0.55 -0.28 4.33 2.02 -0.74 -3.46 117.35 116.66 3do8 s TYR 89 Ca -0.12 -0.31 -0.00 0.00 -0.37 0.00 0.00 57.07 56.28 3do8 s TYR 89 Cb 0.04 -0.34 0.05 0.00 -0.40 0.00 0.00 41.96 41.31 3do8 s TYR 89 CO 0.87 -0.05 -0.05 -1.17 -1.57 0.00 0.00 175.55 173.58 3do8 s LEU 90 N -0.89 3.63 -0.27 -1.29 2.96 -0.18 -1.22 118.68 121.42 3do8 s LEU 90 Ca -0.05 -1.26 -0.13 0.00 -0.22 0.00 0.00 54.13 52.47 3do8 s LEU 90 Cb -0.06 -1.64 -0.04 0.00 0.50 0.00 0.00 46.19 44.94 3do8 s LEU 90 CO 0.00 -0.22 0.26 -0.69 -1.32 0.00 0.00 176.35 174.39 3do8 s VAL 91 N 1.21 5.26 0.20 1.68 1.01 -0.16 -0.54 120.40 129.06 3do8 s VAL 91 Ca -0.06 0.34 0.01 0.00 0.00 0.00 0.00 61.98 62.27 3do8 s VAL 91 Cb -0.19 -3.60 -0.05 0.00 0.00 0.00 0.00 36.38 32.54 3do8 s VAL 91 CO -0.03 0.22 0.05 0.68 0.00 0.00 0.00 175.10 176.03 3do8 s VAL 92 N 1.79 0.50 0.49 2.92 -7.23 -0.16 -4.38 120.40 114.33 3do8 s VAL 92 Ca 0.10 -1.98 0.05 0.00 -1.81 0.00 0.00 61.98 58.34 3do8 s VAL 92 Cb -0.16 -2.32 -0.01 0.00 0.56 0.00 0.00 36.38 34.46 3do8 s VAL 92 CO 0.10 -0.27 0.22 -0.94 -0.31 0.00 0.00 175.10 173.91 3do8 s SER 93 N -3.20 4.43 0.54 4.85 1.04 -1.26 -0.40 113.70 119.70 3do8 s SER 93 Ca 0.30 -1.30 0.28 0.00 0.48 0.00 0.00 55.95 55.71 3do8 s SER 93 Cb 0.07 0.14 1.44 0.00 0.10 0.00 0.00 66.02 67.77 3do8 s SER 93 CO 0.08 -0.85 1.96 -0.65 0.98 0.00 0.00 173.24 174.76 3do8 h PRO 94 N 1.13 0.00 0.00 4.02 0.11 -1.97 -0.58 132.00 134.71 3do8 h PRO 94 Ca -0.41 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.70 3do8 h PRO 94 Cb 1.29 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.40 3do8 h PRO 94 CO 0.66 0.00 -0.33 0.93 -0.21 0.00 0.00 178.00 179.05 3do8 h GLU 95 N 0.00 0.00 -0.01 1.05 5.08 -1.95 -3.31 114.58 115.44 3do8 h GLU 95 Ca 0.29 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.65 3do8 h GLU 95 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 3do8 h GLU 95 CO -0.00 0.01 -0.02 0.25 -1.00 0.00 0.00 179.01 178.24 3do8 n THR 96 N -2.97 0.00 -0.09 1.13 -2.24 -0.69 -4.72 114.28 104.69 3do8 n THR 96 Ca 0.03 -0.49 -0.10 0.00 -2.27 0.00 0.00 64.05 61.22 3do8 n THR 96 Cb 0.54 1.18 -0.02 0.00 -2.10 0.00 0.00 70.33 69.93 3do8 n THR 96 CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 3do8 h TYR 97 N 1.73 0.43 -0.72 4.78 3.20 -1.23 -2.11 116.97 123.04 3do8 h TYR 97 Ca 0.00 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.84 3do8 h TYR 97 Cb 0.38 -0.13 -0.04 0.00 1.54 0.00 0.00 36.73 38.48 3do8 h TYR 97 CO 0.00 0.38 0.41 0.93 -1.64 0.00 0.00 178.16 178.24 3do8 h GLU 98 N 0.35 0.99 -0.32 1.82 4.39 -1.84 -1.30 114.58 118.68 3do8 h GLU 98 Ca 0.10 -0.10 -0.09 0.00 0.34 0.00 0.00 59.36 59.61 3do8 h GLU 98 Cb 0.11 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 28.54 3do8 h GLU 98 CO -0.01 0.72 -0.18 1.98 -1.16 0.00 0.00 179.01 180.35 3do8 h MET 99 N 1.00 0.58 -0.86 2.33 4.05 -1.84 -1.96 114.93 118.23 3do8 h MET 99 Ca 0.26 -0.20 0.03 0.00 -0.28 0.00 0.00 59.70 59.50 3do8 h MET 99 Cb 0.00 -0.04 -0.05 0.00 -0.80 0.00 0.00 31.60 30.71 3do8 h MET 99 CO -0.04 0.74 0.56 0.00 0.23 0.00 0.00 176.91 178.40 3do8 h ALA 100 N 1.28 1.13 -0.84 0.39 0.00 -0.58 0.12 119.26 120.75 3do8 h ALA 100 Ca 0.09 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 3do8 h ALA 100 Cb 0.61 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 3do8 h ALA 100 CO 0.04 0.43 0.39 -0.07 0.00 0.00 0.00 179.25 180.05 3do8 h LEU 101 N 1.11 1.12 -0.76 0.00 3.38 -0.85 -1.49 115.31 117.82 3do8 h LEU 101 Ca 0.34 -0.14 -0.07 0.00 0.09 0.00 0.00 57.88 58.09 3do8 h LEU 101 Cb -0.04 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.39 3do8 h LEU 101 CO -0.10 0.95 0.17 0.11 0.09 0.00 0.00 178.44 179.66 3do8 h LYS 102 N 1.21 1.11 -0.09 1.13 1.57 -0.81 -0.41 116.57 120.27 3do8 h LYS 102 Ca 0.29 -0.26 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 3do8 h LYS 102 Cb 0.14 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 3do8 h LYS 102 CO -0.03 0.98 0.05 0.82 -0.57 0.00 0.00 179.45 180.69 3do8 h ILE 103 N 1.05 1.00 -0.71 1.86 2.04 -0.24 -0.89 117.51 121.63 3do8 h ILE 103 Ca 0.22 -0.03 -0.07 0.00 1.00 0.00 0.00 64.86 65.98 3do8 h ILE 103 Cb 0.37 0.89 -0.03 0.00 -0.74 0.00 0.00 36.82 37.31 3do8 h ILE 103 CO 0.00 0.02 0.19 0.78 0.00 0.00 0.00 178.15 179.14 3do8 h ASN 104 N 0.10 1.06 -0.65 1.72 -0.26 -1.09 0.56 115.58 117.01 3do8 h ASN 104 Ca 0.04 -0.23 0.04 0.00 -0.56 0.00 0.00 56.30 55.59 3do8 h ASN 104 Cb 0.00 -0.28 -0.05 0.00 -1.06 0.00 0.00 38.32 36.94 3do8 h ASN 104 CO -0.02 1.01 0.39 -0.61 -1.06 0.00 0.00 177.43 177.14 3do8 h GLN 105 N 1.06 0.72 -0.28 0.81 4.15 -0.88 -0.96 115.11 119.74 3do8 h GLN 105 Ca 0.22 -0.04 -0.05 0.00 0.77 0.00 0.00 58.65 59.55 3do8 h GLN 105 Cb 0.35 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 27.87 3do8 h GLN 105 CO -0.00 0.48 -0.04 -0.22 -1.93 0.00 0.00 178.83 177.12 3do8 h LYS 106 N 0.75 0.53 -0.57 1.69 1.63 -0.72 -1.62 116.57 118.25 3do8 h LYS 106 Ca 0.27 -0.19 0.10 0.00 -0.85 0.00 0.00 60.65 59.99 3do8 h LYS 106 Cb 0.08 -0.04 -0.08 0.00 -0.60 0.00 0.00 32.23 31.60 3do8 h LYS 106 CO -0.13 0.71 0.14 0.00 -3.45 0.00 0.00 179.45 176.71 3do8 h ARG 107 N 0.30 0.27 -0.48 1.90 3.08 -0.67 -1.71 114.38 117.07 3do8 h ARG 107 Ca 0.08 -0.02 -0.10 0.00 0.07 0.00 0.00 59.98 60.01 3do8 h ARG 107 Cb 0.49 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.46 3do8 h ARG 107 CO 0.02 0.18 -0.08 1.49 -1.07 0.00 0.00 179.97 180.51 3do8 h GLU 108 N 0.28 0.86 0.00 0.04 4.81 -0.98 0.76 114.58 120.35 3do8 h GLU 108 Ca 0.29 -0.29 -0.03 0.00 -0.13 0.00 0.00 59.36 59.21 3do8 h GLU 108 Cb 0.41 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.71 3do8 h GLU 108 CO -0.36 0.92 -0.13 0.93 -0.73 0.00 0.00 179.01 179.63 3do8 h GLU 109 N 0.78 0.00 -0.47 1.92 5.08 -0.74 -1.64 114.58 119.51 3do8 h GLU 109 Ca 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 3do8 h GLU 109 Cb 0.59 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.84 3do8 h GLU 109 CO 0.04 0.13 0.00 1.28 -1.00 0.00 0.00 179.01 179.46 3do8 n LEU 110 N -4.32 2.58 -0.01 1.33 4.77 -0.69 -4.93 117.00 115.73 3do8 n LEU 110 Ca -0.03 -1.27 -0.00 0.00 -0.03 0.00 0.00 56.01 54.68 3do8 n LEU 110 Cb 0.21 -0.31 -0.00 0.00 -2.33 0.00 0.00 43.42 40.99 3do8 n LEU 110 CO 0.35 0.64 -0.00 0.61 -1.33 0.00 0.00 177.39 177.66 3do8 n GLY 111 N 1.27 0.48 3.87 -0.72 0.00 -0.62 -5.02 105.19 104.45 3do8 n GLY 111 Ca 0.16 -0.18 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 3do8 n GLY 111 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3do8 s LYS 112 N -0.39 3.86 0.33 1.61 -0.14 0.18 -4.99 119.74 120.20 3do8 s LYS 112 Ca 0.00 0.38 -0.28 0.00 -1.36 0.00 0.00 55.97 54.71 3do8 s LYS 112 Cb 0.00 -2.60 -0.10 0.00 -1.68 0.00 0.00 37.83 33.46 3do8 s LYS 112 CO 0.00 0.28 1.25 1.03 -0.76 0.00 0.00 175.35 177.15 3do8 s ARG 113 N -2.84 4.35 0.55 1.68 0.52 -1.26 -3.82 118.95 118.12 3do8 s ARG 113 Ca 0.49 2.10 -0.20 0.00 -0.52 0.00 0.00 55.73 57.60 3do8 s ARG 113 Cb -0.11 -3.03 -0.05 0.00 0.52 0.00 0.00 34.95 32.28 3do8 s ARG 113 CO 0.20 -0.15 1.15 0.15 0.02 0.00 0.00 175.30 176.67 3do8 s LYS 114 N -1.82 3.30 0.05 3.54 1.02 -1.26 -4.87 119.74 119.70 3do8 s LYS 114 Ca 0.49 1.68 -0.17 0.00 0.02 0.00 0.00 55.97 57.99 3do8 s LYS 114 Cb -0.37 -2.02 -0.06 0.00 -0.52 0.00 0.00 37.83 34.85 3do8 s LYS 114 CO 0.49 -0.91 0.51 0.42 -0.92 0.00 0.00 175.35 174.94 3do8 s ILE 115 N -1.71 4.85 -0.06 2.17 1.01 -1.26 -5.03 121.20 121.16 3do8 s ILE 115 Ca 0.73 1.05 -0.30 0.00 0.00 0.00 0.00 60.65 62.14 3do8 s ILE 115 Cb -0.26 -3.82 -0.05 0.00 0.01 0.00 0.00 42.46 38.34 3do8 s ILE 115 CO 0.29 0.54 1.53 -0.89 0.00 0.00 0.00 174.94 176.41 3do8 s THR 116 N -1.13 3.72 -0.00 2.92 2.01 -1.23 -4.82 115.64 117.12 3do8 s THR 116 Ca 0.28 0.94 -0.23 0.00 0.31 0.00 0.00 61.69 62.99 3do8 s THR 116 Cb -0.18 -3.60 -0.05 0.00 0.01 0.00 0.00 72.50 68.67 3do8 s THR 116 CO 0.17 -0.07 0.68 -0.63 -0.69 0.00 0.00 174.62 174.08 3do8 s ILE 117 N 3.57 4.88 -0.26 1.82 1.01 -1.26 -1.01 121.20 129.95 3do8 s ILE 117 Ca 0.68 1.42 0.02 0.00 0.00 0.00 0.00 60.65 62.77 3do8 s ILE 117 Cb -0.31 -4.02 0.06 0.00 0.01 0.00 0.00 42.46 38.21 3do8 s ILE 117 CO 0.26 0.36 -0.07 -0.69 0.00 0.00 0.00 174.94 174.80 3do8 s VAL 118 N 0.10 1.89 -0.28 2.92 1.01 0.30 -4.92 120.40 121.43 3do8 s VAL 118 Ca 0.35 -1.52 -0.11 0.00 0.00 0.00 0.00 61.98 60.71 3do8 s VAL 118 Cb -0.19 -2.10 -0.05 0.00 0.00 0.00 0.00 36.38 34.04 3do8 s VAL 118 CO 0.19 -0.11 0.18 -0.75 0.00 0.00 0.00 175.10 174.61 3do8 s LYS 119 N 1.21 3.92 -0.44 2.72 2.20 -1.26 -0.99 119.74 127.11 3do8 s LYS 119 Ca -0.06 -0.34 -0.15 0.00 -0.36 0.00 0.00 55.97 55.07 3do8 s LYS 119 Cb -0.19 -3.62 0.05 0.00 -1.51 0.00 0.00 37.83 32.55 3do8 s LYS 119 CO -0.06 -0.18 0.34 0.08 -0.36 0.00 0.00 175.35 175.17 3do8 s VAL 120 N 1.73 5.20 0.06 4.02 1.01 0.46 -4.98 120.40 127.90 3do8 s VAL 120 Ca 0.07 -0.88 -0.30 0.00 0.00 0.00 0.00 61.98 60.87 3do8 s VAL 120 Cb -0.16 -4.00 -0.05 0.00 0.00 0.00 0.00 36.38 32.17 3do8 s VAL 120 CO 0.10 -0.44 1.17 -1.81 0.00 0.00 0.00 175.10 174.12 3do8 s ASP 121 N 2.12 7.12 -0.09 3.32 1.11 -1.26 -4.24 116.67 124.76 3do8 s ASP 121 Ca 0.04 1.97 0.13 0.00 0.18 0.00 0.00 52.55 54.87 3do8 s ASP 121 Cb -0.22 -2.58 0.20 0.00 1.07 0.00 0.00 42.92 41.40 3do8 s ASP 121 CO 0.08 -0.43 1.10 -2.67 1.18 0.00 0.00 175.17 174.42 3do8 n TRP 122 N 3.88 0.00 -3.63 4.23 2.14 -1.26 -5.00 117.44 117.81 3do8 n TRP 122 Ca 0.08 -0.71 -0.27 0.00 2.07 0.00 0.00 57.50 58.68 3do8 n TRP 122 Cb 0.47 -0.12 -0.01 0.00 -0.81 0.00 0.00 31.31 30.84 3do8 n TRP 122 CO 0.00 0.00 0.00 -1.33 2.07 0.00 0.00 177.69 178.43 3do8 n MET 123 N -1.01 -3.35 0.00 -2.67 2.81 -1.26 -4.59 117.12 107.05 3do8 n MET 123 Ca 0.11 0.43 0.13 0.00 -1.81 0.00 0.00 57.70 56.55 3do8 n MET 123 Cb 0.64 -5.14 0.25 0.00 -0.71 0.00 0.00 33.22 28.26 3do8 n MET 123 CO 0.00 0.00 0.00 -1.33 1.51 0.00 0.00 175.97 176.15