#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3do8 h LYS 2 N 0.00 -0.02 -4.06 2.12 3.64 -1.70 -3.08 116.57 113.48 3do8 h LYS 2 Ca 0.00 0.00 -0.41 0.00 -1.27 0.00 0.00 60.65 58.97 3do8 h LYS 2 Cb 0.00 0.00 -0.34 0.00 -0.41 0.00 0.00 32.23 31.49 3do8 h LYS 2 CO 0.00 0.76 -0.77 0.08 -2.27 0.00 0.00 179.45 177.25 3do8 s VAL 3 N -2.77 0.55 -0.15 2.00 1.01 -0.86 -0.80 120.40 119.39 3do8 s VAL 3 Ca -0.17 -0.14 -0.08 0.00 0.00 0.00 0.00 61.98 61.59 3do8 s VAL 3 Cb -0.01 -0.57 -0.04 0.00 0.00 0.00 0.00 36.38 35.76 3do8 s VAL 3 CO 0.63 0.22 0.13 0.00 0.00 0.00 0.00 175.10 176.08 3do8 s ALA 4 N 0.84 3.76 -0.07 5.51 0.00 -0.33 -1.48 121.76 129.98 3do8 s ALA 4 Ca -0.11 -0.67 -0.07 0.00 0.00 0.00 0.00 51.96 51.11 3do8 s ALA 4 Cb -0.14 -2.00 0.02 0.00 0.00 0.00 0.00 23.12 20.99 3do8 s ALA 4 CO 0.00 0.45 0.20 -1.17 0.00 0.00 0.00 175.76 175.24 3do8 s LEU 5 N -0.52 1.25 0.06 0.00 2.96 -0.99 -1.16 118.68 120.29 3do8 s LEU 5 Ca 0.12 0.39 -0.03 0.00 -0.22 0.00 0.00 54.13 54.40 3do8 s LEU 5 Cb -0.12 0.68 -0.03 0.00 0.50 0.00 0.00 46.19 47.22 3do8 s LEU 5 CO 0.02 -0.07 0.02 -0.83 -1.32 0.00 0.00 176.35 174.17 3do8 s GLY 6 N 0.10 0.39 0.00 7.98 0.00 -1.26 -0.47 107.32 114.06 3do8 s GLY 6 Ca -0.00 -1.08 0.00 0.00 0.00 0.00 0.00 44.72 43.64 3do8 s GLY 6 CO 0.00 -1.20 0.00 0.61 0.00 0.00 0.00 173.10 172.51 3do8 n GLY 7 N 0.07 -0.37 0.13 0.20 0.00 -0.50 -4.93 105.19 99.78 3do8 n GLY 7 Ca -0.14 -0.98 -0.18 0.00 0.00 0.00 0.00 46.02 44.72 3do8 n GLY 7 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3do8 n THR 8 N -0.16 1.66 -3.32 2.61 -1.04 -1.26 -1.06 114.28 111.72 3do8 n THR 8 Ca 0.00 -0.67 -0.18 0.00 -2.04 0.00 0.00 64.05 61.17 3do8 n THR 8 Cb 0.00 -1.48 0.07 0.00 -1.82 0.00 0.00 70.33 67.10 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 -3.32 -2.16 -3.82 -1.42 3.72 -1.26 -4.72 117.46 104.48 3do8 n PHE 9 Ca -0.34 0.81 -0.28 0.00 -0.05 0.00 0.00 57.45 57.59 3do8 n PHE 9 Cb 1.04 -4.37 -0.16 0.00 -0.94 0.00 0.00 39.48 35.05 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 1.06 1.01 -1.08 2.12 -1.26 -3.18 118.70 111.63 3do8 s GLU 10 Ca 0.32 -0.59 -0.15 0.00 0.36 0.00 0.00 54.97 54.90 3do8 s GLU 10 Cb -0.14 -2.21 0.20 0.00 0.26 0.00 0.00 34.13 32.24 3do8 s GLU 10 CO 0.59 -0.59 1.19 -1.25 -0.54 0.00 0.00 175.26 174.67 3do8 s PRO 11 N 1.69 0.35 -0.67 4.30 0.04 -1.26 -5.03 135.00 134.41 3do8 s PRO 11 Ca -0.02 -0.04 -0.25 0.00 0.04 0.00 0.00 61.00 60.73 3do8 s PRO 11 Cb -0.17 -1.78 0.05 0.00 0.04 0.00 0.00 34.50 32.64 3do8 s PRO 11 CO -0.07 -2.67 1.11 -1.17 0.04 0.00 0.00 177.00 174.23 3do8 s LEU 12 N -6.23 3.77 0.00 -3.56 1.98 -1.19 -5.00 118.68 108.45 3do8 s LEU 12 Ca 0.69 -0.57 0.05 0.00 -2.89 0.00 0.00 54.13 51.41 3do8 s LEU 12 Cb -0.10 -2.62 0.05 0.00 0.66 0.00 0.00 46.19 44.19 3do8 s LEU 12 CO 0.54 -1.57 0.40 0.00 -1.89 0.00 0.00 176.35 173.84 3do8 n HIS 13 N 8.39 -0.53 0.05 5.38 1.44 -1.26 -4.96 115.22 123.73 3do8 n HIS 13 Ca 0.01 -2.36 0.02 0.00 -2.01 0.00 0.00 57.72 53.38 3do8 n HIS 13 Cb 0.47 -0.45 0.37 0.00 0.12 0.00 0.00 29.99 30.51 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 0.41 -0.04 -1.40 4.57 -1.97 -1.40 114.58 114.76 3do8 h GLU 14 Ca -0.35 -0.07 0.01 0.00 -1.18 0.00 0.00 59.36 57.77 3do8 h GLU 14 Cb 1.29 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 29.79 3do8 h GLU 14 CO 0.56 0.42 -0.02 0.78 -1.18 0.00 0.00 179.01 179.57 3do8 h GLY 15 N 0.69 0.02 0.81 1.92 0.00 -1.94 -1.16 103.07 103.42 3do8 h GLY 15 Ca 0.09 0.03 0.04 0.00 0.00 0.00 0.00 47.33 47.50 3do8 h GLY 15 CO 0.00 -0.03 0.52 0.45 0.00 0.00 0.00 176.54 177.48 3do8 h HIS 16 N -0.02 0.97 -0.38 5.60 3.86 -1.69 -1.59 115.15 121.90 3do8 h HIS 16 Ca 0.03 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.24 3do8 h HIS 16 Cb 0.06 -0.32 -0.02 0.00 1.06 0.00 0.00 27.41 28.19 3do8 h HIS 16 CO -0.12 0.53 0.15 0.87 0.86 0.00 0.00 177.93 180.22 3do8 h LYS 17 N 0.98 0.53 -0.34 2.45 1.57 -0.87 -0.02 116.57 120.87 3do8 h LYS 17 Ca 0.34 -0.07 -0.07 0.00 -1.87 0.00 0.00 60.65 58.99 3do8 h LYS 17 Cb 0.08 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 3do8 h LYS 17 CO -0.14 0.44 -0.04 0.87 -0.57 0.00 0.00 179.45 180.01 3do8 h LYS 18 N 0.53 0.64 -0.39 3.15 1.57 -0.32 -0.53 116.57 121.22 3do8 h LYS 18 Ca 0.13 -0.22 0.03 0.00 -1.87 0.00 0.00 60.65 58.71 3do8 h LYS 18 Cb 0.11 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.34 3do8 h LYS 18 CO -0.01 0.78 0.20 -0.07 -0.57 0.00 0.00 179.45 179.78 3do8 h LEU 19 N 0.43 0.31 -0.70 2.94 3.38 -0.79 -1.45 115.31 119.43 3do8 h LEU 19 Ca 0.09 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 3do8 h LEU 19 Cb 0.52 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 3do8 h LEU 19 CO 0.03 0.23 0.32 0.40 0.09 0.00 0.00 178.44 179.50 3do8 h ILE 20 N 0.42 1.24 -0.21 1.22 2.04 -0.89 -0.48 117.51 120.84 3do8 h ILE 20 Ca 0.16 -0.70 -0.01 0.00 1.00 0.00 0.00 64.86 65.32 3do8 h ILE 20 Cb 0.05 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 36.51 3do8 h ILE 20 CO -0.10 0.29 0.11 -0.78 0.00 0.00 0.00 178.15 177.67 3do8 h ASP 21 N 0.99 0.27 -0.33 1.72 3.58 -0.71 -0.26 116.42 121.68 3do8 h ASP 21 Ca 0.24 -0.10 -0.01 0.00 0.42 0.00 0.00 57.03 57.58 3do8 h ASP 21 Cb 0.15 -0.07 -0.02 0.00 1.72 0.00 0.00 39.33 41.12 3do8 h ASP 21 CO -0.03 0.30 0.17 0.58 -2.88 0.00 0.00 179.24 177.38 3do8 h VAL 22 N 0.23 1.15 -0.63 2.25 2.07 -1.09 -1.11 116.25 119.12 3do8 h VAL 22 Ca 0.07 -0.41 -0.00 0.00 0.82 0.00 0.00 66.70 67.18 3do8 h VAL 22 Cb 0.09 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 30.65 3do8 h VAL 22 CO -0.01 0.15 0.39 0.00 0.02 0.00 0.00 177.57 178.12 3do8 h ALA 23 N 1.03 0.80 -0.26 1.67 0.00 -0.81 -0.91 119.26 120.78 3do8 h ALA 23 Ca 0.11 -0.07 -0.16 0.00 0.00 0.00 0.00 54.91 54.79 3do8 h ALA 23 Cb 0.09 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3do8 h ALA 23 CO -0.02 0.27 -0.49 0.82 0.00 0.00 0.00 179.25 179.84 3do8 h ILE 24 N 0.86 1.29 -0.59 0.00 2.04 -0.91 0.15 117.51 120.35 3do8 h ILE 24 Ca 0.23 -1.69 -0.03 0.00 1.00 0.00 0.00 64.86 64.37 3do8 h ILE 24 Cb -0.04 1.61 -0.03 0.00 -0.74 0.00 0.00 36.82 37.62 3do8 h ILE 24 CO -0.04 0.54 0.24 0.11 0.00 0.00 0.00 178.15 178.99 3do8 h LYS 25 N 0.57 0.86 -0.09 2.37 1.57 -0.94 0.30 116.57 121.21 3do8 h LYS 25 Ca 0.03 -0.13 -0.22 0.00 -1.87 0.00 0.00 60.65 58.46 3do8 h LYS 25 Cb 1.05 -0.15 0.01 0.00 0.08 0.00 0.00 32.23 33.22 3do8 h LYS 25 CO 0.10 0.70 -0.78 -0.07 -0.57 0.00 0.00 179.45 178.83 3do8 h LEU 26 N 0.85 0.85 0.00 2.94 3.38 -0.88 -3.40 115.31 119.05 3do8 h LEU 26 Ca 0.20 -0.67 0.00 0.00 0.09 0.00 0.00 57.88 57.50 3do8 h LEU 26 Cb 0.17 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.66 3do8 h LEU 26 CO -0.02 1.39 -0.80 0.61 0.09 0.00 0.00 178.44 179.71 3do8 n GLY 27 N 0.83 0.07 7.00 0.83 0.00 0.02 -4.99 105.19 108.95 3do8 n GLY 27 Ca -0.09 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.78 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 1.68 3.36 0.00 -0.02 0.00 0.11 -0.99 105.19 109.32 3do8 n GLY 28 Ca -0.00 -0.17 0.13 0.00 0.00 0.00 0.00 46.02 45.98 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 13.88 0.35 -1.64 1.61 5.12 -1.26 -4.08 116.66 130.64 3do8 n ARG 29 Ca 0.00 0.04 -0.32 0.00 -1.93 0.00 0.00 57.85 55.64 3do8 n ARG 29 Cb 0.00 -1.50 -0.02 0.00 -1.16 0.00 0.00 32.46 29.78 3do8 n ARG 29 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 3do8 n ASP 30 N -1.30 6.89 -4.36 0.55 -0.08 -0.16 -4.86 116.55 113.23 3do8 n ASP 30 Ca 0.12 -3.45 -0.25 0.00 -1.51 0.00 0.00 54.79 49.70 3do8 n ASP 30 Cb 0.21 -1.17 -0.12 0.00 2.34 0.00 0.00 41.12 42.39 3do8 n ASP 30 CO 0.00 0.00 0.00 0.27 0.12 0.00 0.00 177.20 177.59 3do8 s ILE 31 N -3.35 2.01 -0.12 5.18 -4.36 -1.26 -2.03 121.20 117.28 3do8 s ILE 31 Ca 0.56 -1.85 0.01 0.00 -0.26 0.00 0.00 60.65 59.11 3do8 s ILE 31 Cb 0.40 -1.88 0.02 0.00 1.25 0.00 0.00 42.46 42.25 3do8 s ILE 31 CO -0.29 -0.15 -0.15 -0.89 0.24 0.00 0.00 174.94 173.70 3do8 s THR 32 N -1.62 1.50 -0.32 8.37 2.01 -0.55 -4.33 115.64 120.71 3do8 s THR 32 Ca 0.15 -0.63 -0.11 0.00 0.31 0.00 0.00 61.69 61.41 3do8 s THR 32 Cb -0.08 -1.38 -0.01 0.00 0.01 0.00 0.00 72.50 71.04 3do8 s THR 32 CO 0.07 0.44 0.18 -0.63 -0.69 0.00 0.00 174.62 173.99 3do8 s ILE 33 N 1.12 4.82 0.02 1.82 1.01 -0.42 -2.34 121.20 127.22 3do8 s ILE 33 Ca -0.04 -0.34 -0.24 0.00 0.00 0.00 0.00 60.65 60.03 3do8 s ILE 33 Cb -0.14 -3.46 -0.05 0.00 0.01 0.00 0.00 42.46 38.82 3do8 s ILE 33 CO -0.04 0.05 0.72 -0.83 0.00 0.00 0.00 174.94 174.85 3do8 s GLY 34 N 1.65 2.73 -0.11 6.18 0.00 0.37 -1.44 107.32 116.71 3do8 s GLY 34 Ca 0.05 0.21 0.04 0.00 0.00 0.00 0.00 44.72 45.02 3do8 s GLY 34 CO 0.08 1.03 -0.24 0.14 0.00 0.00 0.00 173.10 174.11 3do8 s VAL 35 N 0.02 2.05 0.39 1.40 1.01 -0.10 -1.40 120.40 123.78 3do8 s VAL 35 Ca 0.37 -1.01 -0.27 0.00 0.00 0.00 0.00 61.98 61.07 3do8 s VAL 35 Cb -0.20 -1.78 -0.10 0.00 0.00 0.00 0.00 36.38 34.30 3do8 s VAL 35 CO 0.21 0.56 1.40 0.42 0.00 0.00 0.00 175.10 177.69 3do8 s THR 36 N 0.42 2.30 0.99 3.92 -4.23 -0.22 -0.92 115.64 117.90 3do8 s THR 36 Ca -0.17 0.29 -0.11 0.00 -1.18 0.00 0.00 61.69 60.52 3do8 s THR 36 Cb -0.18 -3.18 0.18 0.00 1.34 0.00 0.00 72.50 70.67 3do8 s THR 36 CO 0.07 0.06 1.09 -1.54 -0.54 0.00 0.00 174.62 173.76 3do8 n SER 37 N 0.29 -0.27 -0.31 3.99 3.41 -0.28 -4.71 113.62 115.75 3do8 n SER 37 Ca 0.02 0.26 0.04 0.00 -0.26 0.00 0.00 58.87 58.93 3do8 n SER 37 Cb 0.41 -1.41 0.18 0.00 -0.26 0.00 0.00 64.21 63.13 3do8 n SER 37 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3do8 h ASP 38 N -2.11 0.74 -0.22 4.04 3.32 -1.93 -0.05 116.42 120.21 3do8 h ASP 38 Ca -0.48 0.05 0.04 0.00 0.02 0.00 0.00 57.03 56.65 3do8 h ASP 38 Cb 1.29 -0.10 -0.04 0.00 0.22 0.00 0.00 39.33 40.70 3do8 h ASP 38 CO 0.43 0.42 -0.02 0.03 -1.72 0.00 0.00 179.24 178.38 3do8 h ARG 39 N 0.85 0.04 -0.36 3.56 3.08 -1.96 -2.07 114.38 117.51 3do8 h ARG 39 Ca 0.42 -0.00 -0.15 0.00 0.07 0.00 0.00 59.98 60.31 3do8 h ARG 39 Cb 0.37 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.40 3do8 h ARG 39 CO -0.24 0.03 -0.37 1.98 -1.07 0.00 0.00 179.97 180.29 3do8 h MET 40 N 0.04 0.86 -0.73 0.04 4.05 -1.79 -3.05 114.93 114.35 3do8 h MET 40 Ca 0.10 -0.44 -0.01 0.00 -0.28 0.00 0.00 59.70 59.07 3do8 h MET 40 Cb 0.14 0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 30.92 3do8 h MET 40 CO -0.19 1.08 0.41 0.00 0.23 0.00 0.00 176.91 178.44 3do8 h ALA 41 N 0.86 0.94 0.00 0.39 0.00 -0.76 -3.02 119.26 117.68 3do8 h ALA 41 Ca 0.06 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 3do8 h ALA 41 Cb 0.94 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 3do8 h ALA 41 CO 0.09 0.44 -0.18 0.00 0.00 0.00 0.00 179.25 179.60 3do8 h ARG 42 N 1.01 0.00 0.00 0.00 3.08 -1.27 -1.28 114.38 115.92 3do8 h ARG 42 Ca 0.26 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.29 3do8 h ARG 42 Cb 0.02 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.07 3do8 h ARG 42 CO -0.04 0.18 -0.09 0.00 -1.07 0.00 0.00 179.97 178.94 3do8 h ALA 43 N 1.82 0.99 0.00 0.04 0.00 -1.50 -3.35 119.26 117.26 3do8 h ALA 43 Ca -0.00 -0.09 -0.44 0.00 0.00 0.00 0.00 54.91 54.38 3do8 h ALA 43 Cb 0.39 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.10 3do8 h ALA 43 CO 0.02 0.12 -2.38 0.54 0.00 0.00 0.00 179.25 177.55 3do8 n ARG 44 N -3.19 0.59 -4.44 0.00 1.74 -0.84 -5.05 116.66 105.47 3do8 n ARG 44 Ca 0.01 0.30 -0.21 0.00 -0.77 0.00 0.00 57.85 57.18 3do8 n ARG 44 Cb 0.41 -1.53 -0.10 0.00 -1.02 0.00 0.00 32.46 30.22 3do8 n ARG 44 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 3do8 s ILE 45 N -2.49 1.04 -1.10 0.55 -4.36 -0.54 -5.06 121.20 109.23 3do8 s ILE 45 Ca -0.38 -2.00 -0.19 0.00 -0.26 0.00 0.00 60.65 57.83 3do8 s ILE 45 Cb 0.14 -2.72 0.10 0.00 1.25 0.00 0.00 42.46 41.23 3do8 s ILE 45 CO 0.50 0.00 1.43 -0.60 0.24 0.00 0.00 174.94 176.51 3do8 s ARG 46 N -3.89 3.79 -0.04 0.37 3.52 -1.26 -4.06 118.95 117.38 3do8 s ARG 46 Ca 0.35 -1.79 -0.29 0.00 -0.13 0.00 0.00 55.73 53.87 3do8 s ARG 46 Cb 0.08 -5.22 -0.02 0.00 -1.56 0.00 0.00 34.95 28.22 3do8 s ARG 46 CO 0.15 -2.02 0.96 0.45 -0.81 0.00 0.00 175.30 174.04 3do8 s SER 47 N 4.02 7.29 0.00 -2.12 0.15 -1.26 -4.94 113.70 116.83 3do8 s SER 47 Ca 0.44 1.57 0.10 0.00 0.70 0.00 0.00 55.95 58.76 3do8 s SER 47 Cb -0.01 -2.55 0.06 0.00 -1.71 0.00 0.00 66.02 61.81 3do8 s SER 47 CO -0.04 -0.31 0.76 1.33 1.20 0.00 0.00 173.24 176.18 3do8 n VAL 48 N 4.11 0.00 -4.14 4.45 0.24 -1.26 -4.95 118.33 116.78 3do8 n VAL 48 Ca 0.06 -0.47 -0.35 0.00 -2.04 0.00 0.00 64.34 61.54 3do8 n VAL 48 Cb 0.50 1.18 -0.12 0.00 -1.47 0.00 0.00 33.84 33.93 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 -1.02 3.36 0.75 1.34 1.43 -1.26 -5.10 118.68 118.19 3do8 s LEU 49 Ca 0.11 -0.13 -0.15 0.00 -1.03 0.00 0.00 54.13 52.92 3do8 s LEU 49 Cb 0.08 -1.84 0.04 0.00 0.03 0.00 0.00 46.19 44.50 3do8 s LEU 49 CO 0.15 0.11 1.16 -2.65 0.23 0.00 0.00 176.35 175.35 3do8 n PRO 50 N 3.96 0.47 -0.26 1.29 -0.02 -1.26 -4.74 135.00 134.44 3do8 n PRO 50 Ca -0.17 0.23 0.00 0.00 -2.02 0.00 0.00 63.50 61.54 3do8 n PRO 50 Cb 0.52 -2.40 0.07 0.00 -0.02 0.00 0.00 33.50 31.67 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 -0.43 -0.53 -0.87 6.00 3.57 -1.93 -0.95 116.94 121.80 3do8 h PHE 51 Ca -0.48 0.07 0.09 0.00 3.53 0.00 0.00 57.97 61.19 3do8 h PHE 51 Cb 1.32 0.35 -0.06 0.00 2.79 0.00 0.00 35.95 40.34 3do8 h PHE 51 CO 0.43 -0.34 0.56 0.00 -2.23 0.00 0.00 178.31 176.73 3do8 h ALA 52 N 1.60 1.65 -0.09 2.41 0.00 -1.96 0.77 119.26 123.65 3do8 h ALA 52 Ca 0.34 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 55.11 3do8 h ALA 52 Cb 0.56 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 18.15 3do8 h ALA 52 CO -0.78 0.18 -0.46 0.82 0.00 0.00 0.00 179.25 179.01 3do8 h ILE 53 N 0.86 1.39 -0.39 0.00 1.08 -1.56 -1.68 117.51 117.21 3do8 h ILE 53 Ca 0.40 -1.82 -0.00 0.00 -0.39 0.00 0.00 64.86 63.04 3do8 h ILE 53 Cb 0.39 2.26 -0.02 0.00 -3.07 0.00 0.00 36.82 36.39 3do8 h ILE 53 CO -0.16 0.54 0.23 0.03 -0.69 0.00 0.00 178.15 178.09 3do8 h ARG 54 N 0.03 0.53 -0.49 2.37 3.08 -0.81 0.34 114.38 119.43 3do8 h ARG 54 Ca -0.03 -0.05 0.02 0.00 0.07 0.00 0.00 59.98 59.98 3do8 h ARG 54 Cb 1.11 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 31.02 3do8 h ARG 54 CO 0.09 0.40 0.30 0.00 -1.07 0.00 0.00 179.97 179.70 3do8 h ALA 55 N 1.09 0.63 -0.42 0.04 0.00 -0.89 -1.72 119.26 117.99 3do8 h ALA 55 Ca 0.14 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 3do8 h ALA 55 Cb 0.02 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3do8 h ALA 55 CO -0.02 0.01 -0.08 0.93 0.00 0.00 0.00 179.25 180.09 3do8 h GLU 56 N 0.60 0.72 -0.74 0.00 4.39 -1.01 -0.61 114.58 117.93 3do8 h GLU 56 Ca 0.19 -0.21 0.01 0.00 0.34 0.00 0.00 59.36 59.69 3do8 h GLU 56 Cb -0.00 -0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 28.54 3do8 h GLU 56 CO -0.08 0.78 0.49 -0.91 -1.16 0.00 0.00 179.01 178.13 3do8 h ASN 57 N 0.66 0.84 -0.23 1.42 2.35 -0.57 0.70 115.58 120.73 3do8 h ASN 57 Ca 0.12 -0.02 -0.05 0.00 -0.55 0.00 0.00 56.30 55.81 3do8 h ASN 57 Cb 0.52 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.68 3do8 h ASN 57 CO 0.03 0.60 -0.03 0.58 -1.65 0.00 0.00 177.43 176.96 3do8 h VAL 58 N 0.99 1.27 -0.61 2.81 2.07 -0.94 -2.25 116.25 119.60 3do8 h VAL 58 Ca 0.28 -0.99 0.03 0.00 0.82 0.00 0.00 66.70 66.83 3do8 h VAL 58 Cb -0.09 1.46 -0.04 0.00 -1.52 0.00 0.00 31.29 31.10 3do8 h VAL 58 CO -0.07 0.31 0.37 0.11 0.02 0.00 0.00 177.57 178.31 3do8 h LYS 59 N 0.18 0.70 -0.37 1.57 1.57 -0.78 -1.16 116.57 118.28 3do8 h LYS 59 Ca 0.06 -0.04 -0.12 0.00 -1.87 0.00 0.00 60.65 58.68 3do8 h LYS 59 Cb 0.47 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 3do8 h LYS 59 CO 0.02 0.47 -0.26 0.00 -0.57 0.00 0.00 179.45 179.10 3do8 h ARG 60 N 0.72 0.77 0.10 3.15 3.08 -0.82 -0.67 114.38 120.71 3do8 h ARG 60 Ca 0.25 -0.33 -0.00 0.00 0.07 0.00 0.00 59.98 59.96 3do8 h ARG 60 Cb 0.03 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.06 3do8 h ARG 60 CO -0.11 0.94 -0.05 -0.92 -1.07 0.00 0.00 179.97 178.77 3do8 h TYR 61 N 0.66 -0.12 -0.67 3.04 3.20 -1.05 -1.13 116.97 120.89 3do8 h TYR 61 Ca 0.08 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.95 3do8 h TYR 61 Cb 0.78 0.04 -0.03 0.00 1.54 0.00 0.00 36.73 39.06 3do8 h TYR 61 CO 0.04 0.05 0.43 0.28 -1.64 0.00 0.00 178.16 177.33 3do8 h VAL 62 N -0.28 1.18 -0.04 1.81 2.07 -1.11 -1.38 116.25 118.50 3do8 h VAL 62 Ca -0.01 -0.36 0.02 0.00 0.82 0.00 0.00 66.70 67.16 3do8 h VAL 62 Cb 0.23 0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 30.20 3do8 h VAL 62 CO 0.02 0.18 -0.06 -0.03 0.02 0.00 0.00 177.57 177.71 3do8 h MET 63 N 0.91 -0.08 -0.52 1.57 1.85 -0.87 0.22 114.93 118.02 3do8 h MET 63 Ca 0.24 0.01 -0.01 0.00 -0.61 0.00 0.00 59.70 59.33 3do8 h MET 63 Cb -0.07 0.02 -0.02 0.00 0.43 0.00 0.00 31.60 31.95 3do8 h MET 63 CO -0.05 -0.05 0.29 -0.09 -0.40 0.00 0.00 176.91 176.61 3do8 h ARG 64 N -0.08 0.73 0.00 0.39 2.43 -0.93 -0.25 114.38 116.67 3do8 h ARG 64 Ca 0.04 -0.08 -0.22 0.00 -0.81 0.00 0.00 59.98 58.91 3do8 h ARG 64 Cb 0.13 -0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 29.50 3do8 h ARG 64 CO -0.09 0.56 -1.35 0.87 -1.51 0.00 0.00 179.97 178.45 3do8 h LYS 65 N 0.70 0.00 0.00 0.20 1.79 -1.19 -3.40 116.57 114.67 3do8 h LYS 65 Ca 0.18 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.65 3do8 h LYS 65 Cb 0.04 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.69 3do8 h LYS 65 CO -0.03 0.54 0.00 0.66 -1.08 0.00 0.00 179.45 179.54 3do8 n TYR 66 N -3.08 0.00 -1.12 -1.35 4.01 0.75 -4.55 117.16 111.81 3do8 n TYR 66 Ca -0.09 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.60 3do8 n TYR 66 Cb 0.93 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.95 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 0.77 0.71 3.14 2.72 0.00 -0.11 -4.93 105.19 107.49 3do8 n GLY 67 Ca 0.00 -0.86 -0.08 0.00 0.00 0.00 0.00 46.02 45.08 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 -2.16 0.34 -0.34 1.61 -0.12 -1.26 -4.99 117.98 111.07 3do8 s PHE 68 Ca 0.00 -0.82 -0.22 0.00 -0.05 0.00 0.00 56.93 55.84 3do8 s PHE 68 Cb 0.00 -0.23 0.00 0.00 -0.63 0.00 0.00 43.02 42.16 3do8 s PHE 68 CO 0.00 -0.45 0.70 -2.00 -0.05 0.00 0.00 175.22 173.42 3do8 s GLU 69 N -3.79 3.79 0.55 1.99 2.12 -1.26 -2.62 118.70 119.48 3do8 s GLU 69 Ca 0.05 0.26 -0.17 0.00 0.36 0.00 0.00 54.97 55.47 3do8 s GLU 69 Cb 0.06 -3.78 -0.05 0.00 0.26 0.00 0.00 34.13 30.62 3do8 s GLU 69 CO -0.10 -0.72 1.05 -1.25 -0.54 0.00 0.00 175.26 173.69 3do8 s PRO 70 N 2.83 3.51 -0.00 4.30 0.04 -1.26 -4.99 135.00 139.43 3do8 s PRO 70 Ca 0.28 1.25 -0.30 0.00 0.04 0.00 0.00 61.00 62.27 3do8 s PRO 70 Cb -0.14 -2.06 -0.06 0.00 0.04 0.00 0.00 34.50 32.28 3do8 s PRO 70 CO 0.14 -0.66 1.56 -2.00 0.04 0.00 0.00 177.00 176.08 3do8 s GLU 71 N -3.79 4.22 -0.13 4.56 2.12 -1.26 -4.98 118.70 119.44 3do8 s GLU 71 Ca 0.65 2.15 -0.03 0.00 0.36 0.00 0.00 54.97 58.10 3do8 s GLU 71 Cb -0.16 -3.73 -0.03 0.00 0.26 0.00 0.00 34.13 30.47 3do8 s GLU 71 CO 0.31 -0.72 -0.04 0.42 -0.54 0.00 0.00 175.26 174.69 3do8 s ILE 72 N 3.09 3.94 -0.03 -3.70 -1.09 -1.26 -1.31 121.20 120.83 3do8 s ILE 72 Ca 0.70 -0.36 0.06 0.00 -2.23 0.00 0.00 60.65 58.82 3do8 s ILE 72 Cb -0.34 -2.70 -0.01 0.00 -1.58 0.00 0.00 42.46 37.83 3do8 s ILE 72 CO 0.29 0.53 -0.20 0.68 -1.23 0.00 0.00 174.94 175.00 3do8 s VAL 73 N -0.01 1.66 0.06 2.92 -7.23 -0.52 -4.98 120.40 112.30 3do8 s VAL 73 Ca 0.01 -0.87 -0.31 0.00 -1.81 0.00 0.00 61.98 59.01 3do8 s VAL 73 Cb -0.13 -1.40 -0.06 0.00 0.56 0.00 0.00 36.38 35.35 3do8 s VAL 73 CO 0.03 0.47 1.26 -0.75 -0.31 0.00 0.00 175.10 175.79 3do8 s LYS 74 N -0.25 4.39 -0.29 4.82 2.20 -1.26 -0.92 119.74 128.43 3do8 s LYS 74 Ca 0.02 1.84 -0.21 0.00 -0.36 0.00 0.00 55.97 57.27 3do8 s LYS 74 Cb -0.10 -3.36 -0.01 0.00 -1.51 0.00 0.00 37.83 32.85 3do8 s LYS 74 CO 0.01 -0.33 0.65 0.42 -0.36 0.00 0.00 175.35 175.74 3do8 s ILE 75 N 1.24 4.93 -0.00 5.43 1.01 -0.10 -4.88 121.20 128.84 3do8 s ILE 75 Ca 0.60 0.99 0.00 0.00 0.00 0.00 0.00 60.65 62.24 3do8 s ILE 75 Cb -0.31 -4.00 0.00 0.00 0.01 0.00 0.00 42.46 38.16 3do8 s ILE 75 CO 0.29 -0.10 0.75 0.35 0.00 0.00 0.00 174.94 176.23 3do8 n THR 76 N 5.35 0.50 -3.92 2.92 -2.24 -1.26 -1.12 114.28 114.51 3do8 n THR 76 Ca -0.00 -0.75 -0.10 0.00 -2.27 0.00 0.00 64.05 60.93 3do8 n THR 76 Cb 0.49 0.75 -0.06 0.00 -2.10 0.00 0.00 70.33 69.41 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 -0.50 -0.04 0.56 3.42 2.20 -1.26 -5.04 114.94 114.27 3do8 s ASN 77 Ca 0.00 -0.80 0.25 0.00 -0.94 0.00 0.00 52.86 51.37 3do8 s ASN 77 Cb 0.00 0.48 1.50 0.00 -2.00 0.00 0.00 41.25 41.23 3do8 s ASN 77 CO 0.00 -0.96 2.09 -0.65 -2.94 0.00 0.00 177.10 174.65 3do8 h PRO 78 N 2.43 0.00 0.00 3.55 0.11 -2.04 -1.94 132.00 134.12 3do8 h PRO 78 Ca -0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 3do8 h PRO 78 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3do8 h PRO 78 CO 0.44 0.00 -0.85 0.66 -0.21 0.00 0.00 178.00 178.04 3do8 n TYR 79 N -4.15 0.35 0.00 0.65 4.01 -1.26 -5.04 117.16 111.72 3do8 n TYR 79 Ca 0.02 0.10 0.00 0.00 -0.16 0.00 0.00 57.90 57.87 3do8 n TYR 79 Cb 0.33 -0.50 0.00 0.00 -0.31 0.00 0.00 39.34 38.86 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 1.37 3.30 1.03 2.72 0.00 -0.73 -1.23 105.19 111.64 3do8 n GLY 80 Ca 0.03 -0.06 0.11 0.00 0.00 0.00 0.00 46.02 46.09 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 2.31 0.00 1.61 5.02 -1.26 -4.62 118.16 135.23 3do8 n LYS 81 Ca 0.00 -2.01 0.12 0.00 -2.02 0.00 0.00 58.31 54.40 3do8 n LYS 81 Cb 0.00 -1.47 0.64 0.00 -0.02 0.00 0.00 35.03 34.18 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 1.17 0.19 1.12 -0.18 -2.24 -0.37 -1.34 114.28 112.63 3do8 n THR 82 Ca 0.19 0.05 0.12 0.00 -2.27 0.00 0.00 64.05 62.14 3do8 n THR 82 Cb 0.51 -0.64 0.19 0.00 -2.10 0.00 0.00 70.33 68.28 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 -1.25 1.38 0.00 3.22 4.77 -1.26 -4.62 117.00 119.23 3do8 n LEU 83 Ca 0.13 -0.45 -0.04 0.00 -0.03 0.00 0.00 56.01 55.62 3do8 n LEU 83 Cb 0.18 -0.07 -0.01 0.00 -2.33 0.00 0.00 43.42 41.19 3do8 n LEU 83 CO 0.18 0.26 -0.33 -0.67 -1.33 0.00 0.00 177.39 175.50 3do8 n ASP 84 N -0.52 1.03 -4.78 -1.43 2.03 -0.67 -4.97 116.55 107.25 3do8 n ASP 84 Ca 0.10 0.15 -0.37 0.00 0.52 0.00 0.00 54.79 55.19 3do8 n ASP 84 Cb 0.39 -0.35 -0.05 0.00 -0.72 0.00 0.00 41.12 40.39 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 -2.18 3.95 -0.32 5.18 1.01 -0.45 -5.00 120.40 122.59 3do8 s VAL 85 Ca -0.07 1.59 -0.19 0.00 0.00 0.00 0.00 61.98 63.30 3do8 s VAL 85 Cb 0.02 -3.87 -0.01 0.00 0.00 0.00 0.00 36.38 32.52 3do8 s VAL 85 CO 0.10 0.10 0.59 -1.81 0.00 0.00 0.00 175.10 174.08 3do8 s ASP 86 N -1.54 6.43 0.02 3.32 1.01 -1.26 -4.76 116.67 119.90 3do8 s ASP 86 Ca 0.53 0.29 0.03 0.00 0.71 0.00 0.00 52.55 54.11 3do8 s ASP 86 Cb -0.21 -2.31 -0.04 0.00 1.01 0.00 0.00 42.92 41.38 3do8 s ASP 86 CO 0.27 -0.47 -0.04 -0.36 0.21 0.00 0.00 175.17 174.78 3do8 s PHE 87 N 2.53 2.95 -0.01 4.23 0.08 -1.25 -1.46 117.98 125.05 3do8 s PHE 87 Ca 0.23 -0.01 -0.20 0.00 0.12 0.00 0.00 56.93 57.07 3do8 s PHE 87 Cb -0.15 -1.60 -0.29 0.00 -0.57 0.00 0.00 43.02 40.41 3do8 s PHE 87 CO 0.12 0.42 1.00 1.49 -0.10 0.00 0.00 175.22 178.15 3do8 h GLU 88 N 4.24 0.39 -5.41 0.44 4.81 -0.87 -3.42 114.58 114.76 3do8 h GLU 88 Ca -0.48 -0.55 -0.45 0.00 -0.13 0.00 0.00 59.36 57.75 3do8 h GLU 88 Cb 1.17 0.18 -0.24 0.00 0.63 0.00 0.00 28.75 30.49 3do8 h GLU 88 CO 0.56 1.22 -0.80 0.71 -0.73 0.00 0.00 179.01 179.97 3do8 s TYR 89 N -2.78 1.29 -0.20 0.92 2.02 -0.72 -1.80 117.35 116.07 3do8 s TYR 89 Ca -0.13 -0.38 0.01 0.00 -0.37 0.00 0.00 57.07 56.20 3do8 s TYR 89 Cb 0.02 -0.76 0.05 0.00 -0.40 0.00 0.00 41.96 40.88 3do8 s TYR 89 CO 0.85 0.05 -0.08 -1.17 -1.57 0.00 0.00 175.55 173.63 3do8 s LEU 90 N -1.28 2.20 -0.23 -1.29 2.96 -0.45 -1.19 118.68 119.40 3do8 s LEU 90 Ca 0.02 -0.91 -0.14 0.00 -0.22 0.00 0.00 54.13 52.88 3do8 s LEU 90 Cb -0.08 -1.15 -0.04 0.00 0.50 0.00 0.00 46.19 45.41 3do8 s LEU 90 CO 0.02 -0.17 0.32 -0.69 -1.32 0.00 0.00 176.35 174.50 3do8 s VAL 91 N 1.45 5.24 0.14 1.68 1.01 -0.31 -0.69 120.40 128.92 3do8 s VAL 91 Ca -0.02 0.51 0.00 0.00 0.00 0.00 0.00 61.98 62.47 3do8 s VAL 91 Cb -0.17 -3.65 -0.04 0.00 0.00 0.00 0.00 36.38 32.52 3do8 s VAL 91 CO -0.08 0.25 0.02 0.68 0.00 0.00 0.00 175.10 175.98 3do8 s VAL 92 N 1.47 0.36 0.52 2.92 -7.23 -0.26 -4.47 120.40 113.71 3do8 s VAL 92 Ca 0.14 -1.93 0.07 0.00 -1.81 0.00 0.00 61.98 58.46 3do8 s VAL 92 Cb -0.15 -2.02 0.04 0.00 0.56 0.00 0.00 36.38 34.81 3do8 s VAL 92 CO 0.08 -0.53 0.50 -0.94 -0.31 0.00 0.00 175.10 173.89 3do8 s SER 93 N -3.09 4.85 0.57 4.85 1.04 -1.26 -0.25 113.70 120.41 3do8 s SER 93 Ca 0.22 -1.03 0.25 0.00 0.48 0.00 0.00 55.95 55.88 3do8 s SER 93 Cb 0.07 0.15 1.62 0.00 0.10 0.00 0.00 66.02 67.96 3do8 s SER 93 CO 0.01 -1.06 2.19 -0.65 0.98 0.00 0.00 173.24 174.71 3do8 h PRO 94 N 0.67 0.00 0.00 4.02 0.11 -1.97 -1.10 132.00 133.73 3do8 h PRO 94 Ca -0.36 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.72 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 0.53 0.00 -0.15 0.93 -0.21 0.00 0.00 178.00 179.10 3do8 h GLU 95 N 0.00 0.00 -0.06 1.05 5.08 -1.94 -3.24 114.58 115.46 3do8 h GLU 95 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3do8 h GLU 95 Cb 0.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 3do8 h GLU 95 CO -0.00 0.15 0.00 0.25 -1.00 0.00 0.00 179.01 178.41 3do8 n THR 96 N -3.20 0.45 -0.14 1.13 -2.24 -0.71 -4.72 114.28 104.85 3do8 n THR 96 Ca 0.02 -0.72 -0.12 0.00 -2.27 0.00 0.00 64.05 60.96 3do8 n THR 96 Cb 0.49 0.82 -0.02 0.00 -2.10 0.00 0.00 70.33 69.52 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 0.80 0.97 -0.77 4.78 3.20 -1.26 -1.85 116.97 122.84 3do8 h TYR 97 Ca 0.00 -0.23 0.01 0.00 3.14 0.00 0.00 58.73 61.64 3do8 h TYR 97 Cb 0.36 -0.23 -0.04 0.00 1.54 0.00 0.00 36.73 38.36 3do8 h TYR 97 CO 0.04 1.00 0.50 0.93 -1.64 0.00 0.00 178.16 178.99 3do8 h GLU 98 N 0.67 1.03 -0.31 1.82 5.08 -1.84 -1.43 114.58 119.59 3do8 h GLU 98 Ca 0.10 -0.07 -0.13 0.00 -1.00 0.00 0.00 59.36 58.26 3do8 h GLU 98 Cb 0.73 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 3do8 h GLU 98 CO 0.06 0.69 -0.32 1.98 -1.00 0.00 0.00 179.01 180.41 3do8 h MET 99 N 1.05 0.66 -0.57 2.33 4.05 -1.81 -1.89 114.93 118.76 3do8 h MET 99 Ca 0.28 -0.30 0.04 0.00 -0.28 0.00 0.00 59.70 59.44 3do8 h MET 99 Cb -0.11 -0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 30.64 3do8 h MET 99 CO -0.06 0.90 0.32 0.00 0.23 0.00 0.00 176.91 178.30 3do8 h ALA 100 N 1.08 0.73 -0.95 0.39 0.00 -0.47 0.14 119.26 120.18 3do8 h ALA 100 Ca 0.06 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3do8 h ALA 100 Cb 0.83 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.44 3do8 h ALA 100 CO 0.07 0.02 0.58 -0.07 0.00 0.00 0.00 179.25 179.84 3do8 h LEU 101 N 0.63 1.14 -0.55 0.00 3.38 -0.94 -2.18 115.31 116.79 3do8 h LEU 101 Ca 0.24 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 3do8 h LEU 101 Cb 0.08 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 3do8 h LEU 101 CO -0.13 0.87 0.26 0.50 0.09 0.00 0.00 178.44 180.03 3do8 h LYS 102 N 1.31 0.79 -0.40 1.13 1.63 -0.68 -1.40 116.57 118.96 3do8 h LYS 102 Ca 0.34 -0.12 0.08 0.00 -0.85 0.00 0.00 60.65 60.10 3do8 h LYS 102 Cb -0.06 -0.14 -0.07 0.00 -0.60 0.00 0.00 32.23 31.35 3do8 h LYS 102 CO -0.06 0.66 -0.07 0.82 -3.45 0.00 0.00 179.45 177.35 3do8 h ILE 103 N 0.74 0.63 -0.20 2.00 2.04 -0.39 -0.18 117.51 122.15 3do8 h ILE 103 Ca 0.19 -0.01 -0.10 0.00 1.00 0.00 0.00 64.86 65.94 3do8 h ILE 103 Cb 0.13 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 36.80 3do8 h ILE 103 CO -0.02 0.01 -0.32 0.78 0.00 0.00 0.00 178.15 178.60 3do8 h ASN 104 N 0.03 0.41 -0.36 1.72 2.35 -1.08 0.32 115.58 118.97 3do8 h ASN 104 Ca 0.19 -0.15 -0.01 0.00 -0.55 0.00 0.00 56.30 55.78 3do8 h ASN 104 Cb 0.29 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.53 3do8 h ASN 104 CO -0.38 0.71 0.17 1.56 -1.65 0.00 0.00 177.43 177.83 3do8 h GLN 105 N 0.35 0.52 -0.41 0.81 4.20 -0.69 -0.30 115.11 119.59 3do8 h GLN 105 Ca 0.04 -0.08 -0.15 0.00 0.06 0.00 0.00 58.65 58.52 3do8 h GLN 105 Cb 0.73 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.41 3do8 h GLN 105 CO 0.06 0.47 -0.34 0.87 -0.67 0.00 0.00 178.83 179.22 3do8 h LYS 106 N 0.44 0.94 -0.58 1.46 1.79 -0.81 -1.41 116.57 118.39 3do8 h LYS 106 Ca 0.12 -0.47 0.05 0.00 -2.18 0.00 0.00 60.65 58.18 3do8 h LYS 106 Cb 0.13 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 30.73 3do8 h LYS 106 CO -0.01 1.12 0.30 0.00 -1.08 0.00 0.00 179.45 179.78 3do8 h ARG 107 N 0.78 0.56 -0.78 3.15 3.08 -0.72 -0.57 114.38 119.88 3do8 h ARG 107 Ca 0.07 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.07 3do8 h ARG 107 Cb 0.93 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 30.81 3do8 h ARG 107 CO 0.09 0.37 0.41 1.49 -1.07 0.00 0.00 179.97 181.26 3do8 h GLU 108 N 0.57 1.10 -0.45 0.04 4.81 -0.68 0.52 114.58 120.49 3do8 h GLU 108 Ca 0.26 -0.14 -0.04 0.00 -0.13 0.00 0.00 59.36 59.32 3do8 h GLU 108 Cb 0.17 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.32 3do8 h GLU 108 CO -0.18 0.82 0.12 0.93 -0.73 0.00 0.00 179.01 179.98 3do8 h GLU 109 N 1.08 0.66 0.00 1.92 5.08 -0.75 -2.96 114.58 119.62 3do8 h GLU 109 Ca 0.27 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 3do8 h GLU 109 Cb 0.06 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.20 3do8 h GLU 109 CO -0.04 0.59 -0.27 -0.07 -1.00 0.00 0.00 179.01 178.22 3do8 h LEU 110 N 0.65 0.00 -0.15 1.33 3.38 -0.55 -3.48 115.31 116.49 3do8 h LEU 110 Ca 0.15 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3do8 h LEU 110 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 3do8 h LEU 110 CO -0.01 0.02 0.00 0.61 0.09 0.00 0.00 178.44 179.15 3do8 n GLY 111 N 1.20 1.24 3.64 0.83 0.00 -0.48 -5.09 105.19 106.54 3do8 n GLY 111 Ca 0.04 -0.27 -0.31 0.00 0.00 0.00 0.00 46.02 45.47 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 -1.88 2.57 0.47 1.61 -0.14 0.05 -5.03 119.74 117.38 3do8 s LYS 112 Ca 0.00 -0.76 -0.23 0.00 -1.36 0.00 0.00 55.97 53.62 3do8 s LYS 112 Cb 0.00 -2.54 -0.07 0.00 -1.68 0.00 0.00 37.83 33.55 3do8 s LYS 112 CO 0.00 0.58 1.23 -0.98 -0.76 0.00 0.00 175.35 175.42 3do8 s ARG 113 N -1.78 3.64 0.67 1.68 1.70 -1.26 -3.94 118.95 119.66 3do8 s ARG 113 Ca 0.21 1.94 -0.16 0.00 -0.47 0.00 0.00 55.73 57.24 3do8 s ARG 113 Cb -0.11 -2.43 0.01 0.00 -0.57 0.00 0.00 34.95 31.85 3do8 s ARG 113 CO 0.12 -0.69 1.16 0.15 -1.08 0.00 0.00 175.30 174.96 3do8 s LYS 114 N -2.67 2.61 -0.05 3.89 1.02 -1.26 -4.93 119.74 118.34 3do8 s LYS 114 Ca 0.64 1.62 -0.07 0.00 0.02 0.00 0.00 55.97 58.18 3do8 s LYS 114 Cb -0.33 -1.91 -0.04 0.00 -0.52 0.00 0.00 37.83 35.03 3do8 s LYS 114 CO 0.40 -1.44 0.21 0.42 -0.92 0.00 0.00 175.35 174.02 3do8 s ILE 115 N -2.04 5.38 -0.18 2.17 1.01 -1.26 -5.00 121.20 121.29 3do8 s ILE 115 Ca 0.72 0.22 -0.29 0.00 0.00 0.00 0.00 60.65 61.30 3do8 s ILE 115 Cb -0.26 -3.50 -0.02 0.00 0.01 0.00 0.00 42.46 38.69 3do8 s ILE 115 CO 0.40 0.50 1.33 -0.89 0.00 0.00 0.00 174.94 176.29 3do8 s THR 116 N -1.15 4.15 -0.05 2.92 2.01 -0.75 -4.86 115.64 117.91 3do8 s THR 116 Ca 0.21 1.37 -0.24 0.00 0.31 0.00 0.00 61.69 63.34 3do8 s THR 116 Cb -0.13 -3.94 -0.04 0.00 0.01 0.00 0.00 72.50 68.40 3do8 s THR 116 CO 0.11 -0.19 0.74 -0.63 -0.69 0.00 0.00 174.62 173.96 3do8 s ILE 117 N 3.79 5.00 -0.33 1.82 1.01 -1.26 -1.34 121.20 129.89 3do8 s ILE 117 Ca 0.58 1.54 0.02 0.00 0.00 0.00 0.00 60.65 62.79 3do8 s ILE 117 Cb -0.22 -4.08 0.09 0.00 0.01 0.00 0.00 42.46 38.25 3do8 s ILE 117 CO 0.18 0.25 0.03 -0.69 0.00 0.00 0.00 174.94 174.71 3do8 s VAL 118 N 0.77 2.51 -0.27 2.92 1.01 0.14 -4.94 120.40 122.53 3do8 s VAL 118 Ca 0.40 -2.01 -0.15 0.00 0.00 0.00 0.00 61.98 60.22 3do8 s VAL 118 Cb -0.18 -2.69 -0.04 0.00 0.00 0.00 0.00 36.38 33.47 3do8 s VAL 118 CO 0.20 -0.42 0.37 -0.75 0.00 0.00 0.00 175.10 174.50 3do8 s LYS 119 N 1.03 4.01 -0.32 2.72 2.20 -1.26 -1.10 119.74 127.02 3do8 s LYS 119 Ca 0.04 0.03 -0.11 0.00 -0.36 0.00 0.00 55.97 55.57 3do8 s LYS 119 Cb -0.20 -3.66 -0.01 0.00 -1.51 0.00 0.00 37.83 32.45 3do8 s LYS 119 CO -0.06 -0.28 0.19 0.08 -0.36 0.00 0.00 175.35 174.92 3do8 s VAL 120 N 2.07 4.94 -0.98 4.02 1.01 0.65 -4.97 120.40 127.15 3do8 s VAL 120 Ca 0.15 -0.30 -0.24 0.00 0.00 0.00 0.00 61.98 61.60 3do8 s VAL 120 Cb -0.16 -3.52 0.04 0.00 0.00 0.00 0.00 36.38 32.75 3do8 s VAL 120 CO 0.10 0.05 1.48 -1.81 0.00 0.00 0.00 175.10 174.91 3do8 s ASP 121 N 1.67 6.35 0.00 3.32 1.11 -1.26 -3.96 116.67 123.89 3do8 s ASP 121 Ca 0.05 -1.27 0.31 0.00 0.18 0.00 0.00 52.55 51.82 3do8 s ASP 121 Cb -0.17 -2.57 1.69 0.00 1.07 0.00 0.00 42.92 42.94 3do8 s ASP 121 CO 0.08 -1.65 2.11 -2.67 1.18 0.00 0.00 175.17 174.22 3do8 n TRP 122 N 9.39 0.00 -3.79 4.23 4.27 -1.26 -4.93 117.44 125.34 3do8 n TRP 122 Ca 0.31 0.00 -0.31 0.00 -3.89 0.00 0.00 57.50 53.60 3do8 n TRP 122 Cb 0.50 -0.01 0.02 0.00 -1.36 0.00 0.00 31.31 30.47 3do8 n TRP 122 CO 0.00 0.00 0.00 -1.33 -2.29 0.00 0.00 177.69 174.07 3do8 n MET 123 N -0.73 -1.73 -3.35 -2.67 2.81 -1.26 -4.52 117.12 105.67 3do8 n MET 123 Ca 0.23 0.41 -0.41 0.00 -1.81 0.00 0.00 57.70 56.11 3do8 n MET 123 Cb 0.17 -4.09 -0.02 0.00 -0.71 0.00 0.00 33.22 28.58 3do8 n MET 123 CO 0.00 0.00 0.00 -1.33 1.51 0.00 0.00 175.97 176.15 3do8 n MET 124 N -4.33 3.46 0.00 0.03 2.81 -1.26 -4.98 117.12 112.85 3do8 n MET 124 Ca -0.16 -4.50 0.00 0.00 -1.81 0.00 0.00 57.70 51.24 3do8 n MET 124 Cb 0.61 -2.49 0.00 0.00 -0.71 0.00 0.00 33.22 30.63 3do8 n MET 124 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 3do8 n SER 132 N 2.19 0.00 -3.57 7.83 3.41 -1.26 -5.19 113.62 117.03 3do8 n SER 132 Ca 0.24 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.75 3do8 n SER 132 Cb 0.37 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.28 3do8 n SER 132 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3do8 s SER 133 N 0.00 -0.35 0.65 4.04 1.04 -1.26 -5.16 113.70 112.66 3do8 s SER 133 Ca 0.00 0.32 -0.18 0.00 0.48 0.00 0.00 55.95 56.58 3do8 s SER 133 Cb 0.00 0.30 -0.02 0.00 0.10 0.00 0.00 66.02 66.40 3do8 s SER 133 CO 0.00 -0.37 1.11 0.35 0.98 0.00 0.00 173.24 175.31 3do8 n THR 134 N 0.56 4.10 -2.13 2.02 -2.24 -1.26 -4.92 114.28 110.40 3do8 n THR 134 Ca -0.09 -0.47 -0.40 0.00 -2.27 0.00 0.00 64.05 60.81 3do8 n THR 134 Cb 0.58 -1.28 -0.02 0.00 -2.10 0.00 0.00 70.33 67.51 3do8 n THR 134 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3do8 s ARG 135 N -3.16 4.20 -0.14 -0.78 3.52 -1.26 -5.02 118.95 116.31 3do8 s ARG 135 Ca 0.79 2.13 0.02 0.00 -0.13 0.00 0.00 55.73 58.54 3do8 s ARG 135 Cb -0.38 -2.92 0.00 0.00 -1.56 0.00 0.00 34.95 30.09 3do8 s ARG 135 CO 0.44 -0.29 -0.20 0.42 -0.81 0.00 0.00 175.30 174.87 3do8 s ILE 136 N -1.22 2.27 -0.53 4.11 1.01 -1.26 -5.09 121.20 120.50 3do8 s ILE 136 Ca 0.52 -0.91 -0.28 0.00 0.00 0.00 0.00 60.65 59.98 3do8 s ILE 136 Cb -0.38 -1.92 0.02 0.00 0.01 0.00 0.00 42.46 40.19 3do8 s ILE 136 CO 0.49 0.54 1.38 -0.54 0.00 0.00 0.00 174.94 176.81 3do8 s LYS 137 N 0.75 3.40 0.35 2.79 -0.14 -1.26 -4.99 119.74 120.64 3do8 s LYS 137 Ca -0.08 0.54 -0.27 0.00 -1.36 0.00 0.00 55.97 54.80 3do8 s LYS 137 Cb -0.16 -4.08 -0.09 0.00 -1.68 0.00 0.00 37.83 31.82 3do8 s LYS 137 CO 0.00 -1.80 1.20 1.03 -0.76 0.00 0.00 175.35 175.02 3do8 s ARG 138 N 5.28 4.29 0.00 1.68 1.81 -1.26 -4.95 118.95 125.80 3do8 s ARG 138 Ca 0.53 1.97 0.00 0.00 -1.72 0.00 0.00 55.73 56.51 3do8 s ARG 138 Cb -0.11 -2.93 0.00 0.00 -0.45 0.00 0.00 34.95 31.46 3do8 s ARG 138 CO 0.27 -0.16 0.00 0.41 -0.68 0.00 0.00 175.30 175.14 3do8 n GLY 139 N 0.82 0.93 3.87 -3.53 0.00 -1.26 -5.02 105.19 101.00 3do8 n GLY 139 Ca 0.02 -1.73 -0.31 0.00 0.00 0.00 0.00 46.02 43.99 3do8 n GLY 139 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3do8 s GLU 140 N -1.42 3.83 -0.07 1.61 2.02 -1.26 -4.74 118.70 118.66 3do8 s GLU 140 Ca 0.00 0.43 0.10 0.00 0.02 0.00 0.00 54.97 55.52 3do8 s GLU 140 Cb 0.00 -2.48 -0.24 0.00 0.10 0.00 0.00 34.13 31.51 3do8 s GLU 140 CO 0.00 0.12 0.55 0.44 0.02 0.00 0.00 175.26 176.38 3do8 n ILE 141 N -0.77 1.61 0.00 -1.63 -5.35 -1.26 -5.14 119.36 106.83 3do8 n ILE 141 Ca 0.02 -0.78 0.00 0.00 -0.27 0.00 0.00 62.75 61.72 3do8 n ILE 141 Cb 0.53 -1.09 0.00 0.00 -1.74 0.00 0.00 39.64 37.34 3do8 n ILE 141 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89