#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2otl s ILE 2 N 0.00 1.89 0.15 -0.61 -4.36 -1.26 -5.11 121.20 111.90 2otl s ILE 2 Ca 0.00 0.00 0.01 0.00 -0.26 0.00 0.00 60.65 60.40 2otl s ILE 2 Cb 0.00 -2.80 -0.04 0.00 1.25 0.00 0.00 42.46 40.86 2otl s ILE 2 CO 0.00 0.00 0.02 -0.44 0.24 0.00 0.00 174.94 174.76 2otl s SER 3 N -4.39 0.91 -0.01 4.36 0.01 -1.26 -5.09 113.70 108.22 2otl s SER 3 Ca 0.70 -1.18 -0.30 0.00 1.31 0.00 0.00 55.95 56.48 2otl s SER 3 Cb -0.08 0.17 -0.07 0.00 0.21 0.00 0.00 66.02 66.25 2otl s SER 3 CO 0.54 -0.62 1.72 -0.31 0.41 0.00 0.00 173.24 174.97 2otl s TYR 4 N -3.79 1.92 -2.13 2.43 1.51 -1.26 -4.85 117.35 111.18 2otl s TYR 4 Ca 0.23 0.08 0.21 0.00 -1.01 0.00 0.00 57.07 56.59 2otl s TYR 4 Cb 0.07 -3.99 1.04 0.00 -0.11 0.00 0.00 41.96 38.96 2otl s TYR 4 CO 0.03 -4.21 1.70 -1.13 -1.11 0.00 0.00 175.55 170.83 2otl n SER 5 N 6.91 0.70 -3.95 2.29 3.41 -1.26 -4.80 113.62 116.92 2otl n SER 5 Ca 0.17 -1.49 -0.17 0.00 -0.26 0.00 0.00 58.87 57.12 2otl n SER 5 Cb 0.42 -0.04 -0.15 0.00 -0.26 0.00 0.00 64.21 64.18 2otl n SER 5 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2otl s VAL 6 N -1.93 0.46 0.38 -3.33 1.01 -1.26 -5.13 120.40 110.61 2otl s VAL 6 Ca 0.32 -0.21 -0.26 0.00 0.00 0.00 0.00 61.98 61.83 2otl s VAL 6 Cb 0.16 -0.42 -0.09 0.00 0.00 0.00 0.00 36.38 36.03 2otl s VAL 6 CO 0.25 0.15 1.24 -1.61 0.00 0.00 0.00 175.10 175.13 2otl s GLU 7 N 0.13 4.10 -0.04 2.72 2.02 -1.26 -5.04 118.70 121.33 2otl s GLU 7 Ca -0.01 2.01 0.00 0.00 0.02 0.00 0.00 54.97 57.00 2otl s GLU 7 Cb -0.05 -2.80 0.03 0.00 0.10 0.00 0.00 34.13 31.41 2otl s GLU 7 CO -0.00 -0.34 -0.01 0.00 0.02 0.00 0.00 175.26 174.93 2otl s ALA 8 N -1.30 0.43 -0.48 5.21 0.00 -1.26 -5.10 121.76 119.26 2otl s ALA 8 Ca 0.55 0.09 -0.29 0.00 0.00 0.00 0.00 51.96 52.31 2otl s ALA 8 Cb -0.35 -0.38 0.02 0.00 0.00 0.00 0.00 23.12 22.41 2otl s ALA 8 CO 0.45 -0.09 1.31 0.34 0.00 0.00 0.00 175.76 177.77 2otl s ASP 9 N 1.08 6.38 0.62 0.00 -1.08 -1.26 -4.92 116.67 117.49 2otl s ASP 9 Ca -0.09 0.52 0.30 0.00 -0.52 0.00 0.00 52.55 52.76 2otl s ASP 9 Cb -0.14 -2.55 1.65 0.00 -1.46 0.00 0.00 42.92 40.43 2otl s ASP 9 CO -0.01 -1.45 2.00 1.55 0.52 0.00 0.00 175.17 177.78 2otl h PRO 10 N 10.25 0.00 0.00 4.34 0.13 -1.99 -2.28 132.00 142.44 2otl h PRO 10 Ca -0.26 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.87 2otl h PRO 10 Cb 1.08 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.21 2otl h PRO 10 CO 1.13 0.00 -0.03 -0.44 -0.23 0.00 0.00 178.00 178.43 2otl h ASP 11 N 0.00 0.00 -0.41 1.44 3.32 -2.03 -3.29 116.42 115.45 2otl h ASP 11 Ca 0.09 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 56.87 2otl h ASP 11 Cb 0.72 0.00 -0.39 0.00 0.22 0.00 0.00 39.33 39.87 2otl h ASP 11 CO -0.00 0.03 -1.05 0.35 -1.72 0.00 0.00 179.24 176.85 2otl n THR 12 N -3.12 1.32 -3.76 0.35 -2.24 -0.89 -5.06 114.28 100.89 2otl n THR 12 Ca 0.03 -2.88 -0.13 0.00 -2.27 0.00 0.00 64.05 58.80 2otl n THR 12 Cb 0.46 0.87 -0.10 0.00 -2.10 0.00 0.00 70.33 69.45 2otl n THR 12 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2otl s THR 13 N -3.43 0.01 0.07 4.28 2.01 -1.03 -2.64 115.64 114.90 2otl s THR 13 Ca 0.32 -0.11 0.09 0.00 0.31 0.00 0.00 61.69 62.30 2otl s THR 13 Cb 0.34 -0.51 -0.03 0.00 0.01 0.00 0.00 72.50 72.31 2otl s THR 13 CO -0.05 -0.06 -0.24 0.00 -0.69 0.00 0.00 174.62 173.58 2otl s ALA 14 N -0.17 2.09 0.20 7.40 0.00 -0.08 -4.79 121.76 126.42 2otl s ALA 14 Ca -0.03 -1.25 0.07 0.00 0.00 0.00 0.00 51.96 50.75 2otl s ALA 14 Cb -0.03 -0.39 -0.05 0.00 0.00 0.00 0.00 23.12 22.65 2otl s ALA 14 CO 0.01 0.48 -0.13 0.15 0.00 0.00 0.00 175.76 176.27 2otl s LYS 15 N -1.47 1.31 -0.17 0.00 1.02 -1.26 -0.34 119.74 118.82 2otl s LYS 15 Ca 0.10 -1.59 -0.29 0.00 0.02 0.00 0.00 55.97 54.21 2otl s LYS 15 Cb -0.10 -1.04 0.12 0.00 -0.52 0.00 0.00 37.83 36.29 2otl s LYS 15 CO 0.03 0.15 0.99 0.00 -0.92 0.00 0.00 175.35 175.60 2otl s ALA 16 N -3.03 -1.93 0.03 5.17 0.00 -0.81 -4.59 121.76 116.59 2otl s ALA 16 Ca 0.22 1.62 -0.09 0.00 0.00 0.00 0.00 51.96 53.71 2otl s ALA 16 Cb 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 23.12 22.34 2otl s ALA 16 CO 0.06 -0.30 0.18 -1.64 0.00 0.00 0.00 175.76 174.06 2otl s MET 17 N -0.92 0.65 -0.01 0.00 -1.94 -1.26 -0.94 119.30 114.88 2otl s MET 17 Ca -0.01 -0.59 0.04 0.00 -1.71 0.00 0.00 55.69 53.42 2otl s MET 17 Cb -0.01 0.27 -0.03 0.00 2.01 0.00 0.00 34.83 37.07 2otl s MET 17 CO 0.01 -0.18 -0.13 -0.51 -0.01 0.00 0.00 175.02 174.20 2otl s LEU 18 N -1.96 2.82 -0.09 -0.03 1.43 -0.53 -4.96 118.68 115.38 2otl s LEU 18 Ca -0.07 -0.23 0.03 0.00 -1.03 0.00 0.00 54.13 52.83 2otl s LEU 18 Cb -0.02 -1.61 0.00 0.00 0.03 0.00 0.00 46.19 44.59 2otl s LEU 18 CO -0.03 0.31 -0.20 -0.13 0.23 0.00 0.00 176.35 176.53 2otl s ARG 19 N -1.08 2.57 -1.73 1.70 1.81 -1.26 -2.43 118.95 118.54 2otl s ARG 19 Ca 0.14 -0.72 -0.18 0.00 -1.72 0.00 0.00 55.73 53.25 2otl s ARG 19 Cb -0.11 -1.99 0.16 0.00 -0.45 0.00 0.00 34.95 32.56 2otl s ARG 19 CO 0.03 0.13 0.66 0.39 -0.68 0.00 0.00 175.30 175.84 2otl n GLU 20 N 3.60 -2.34 -2.23 3.54 1.02 -0.96 -4.90 120.64 118.37 2otl n GLU 20 Ca -0.20 0.29 -0.42 0.00 -0.02 0.00 0.00 57.16 56.81 2otl n GLU 20 Cb 0.53 -4.85 -0.03 0.00 -0.02 0.00 0.00 31.44 27.06 2otl n GLU 20 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2otl s ARG 21 N -7.02 4.36 -0.81 3.49 1.81 0.13 -4.49 118.95 116.41 2otl s ARG 21 Ca 0.67 2.01 -0.21 0.00 -1.72 0.00 0.00 55.73 56.48 2otl s ARG 21 Cb -0.37 -3.25 0.10 0.00 -0.45 0.00 0.00 34.95 30.98 2otl s ARG 21 CO 0.96 -0.34 1.07 -0.65 -0.68 0.00 0.00 175.30 175.65 2otl s GLN 22 N 0.72 3.38 0.20 3.54 -0.21 -1.26 0.68 119.66 126.71 2otl s GLN 22 Ca 0.61 -1.32 -0.22 0.00 0.02 0.00 0.00 55.36 54.45 2otl s GLN 22 Cb -0.35 -4.63 0.05 0.00 1.00 0.00 0.00 33.01 29.07 2otl s GLN 22 CO 0.32 -1.81 0.65 0.00 -2.12 0.00 0.00 175.29 172.33 2otl s MET 23 N 3.41 1.47 0.07 2.91 0.23 -1.23 -5.02 119.30 121.15 2otl s MET 23 Ca 0.28 -0.67 -0.32 0.00 -1.03 0.00 0.00 55.69 53.96 2otl s MET 23 Cb -0.10 0.60 -0.11 0.00 -1.53 0.00 0.00 34.83 33.69 2otl s MET 23 CO -0.01 -0.66 1.85 0.45 -2.03 0.00 0.00 175.02 174.63 2otl n SER 24 N -0.41 3.88 0.03 -1.18 2.88 -1.26 -4.56 113.62 113.00 2otl n SER 24 Ca -0.12 0.98 -0.09 0.00 -1.33 0.00 0.00 58.87 58.30 2otl n SER 24 Cb 0.63 -1.50 0.05 0.00 -0.75 0.00 0.00 64.21 62.63 2otl n SER 24 CO 0.00 0.00 0.00 0.15 -1.23 0.00 0.00 175.04 173.96 2otl h PHE 25 N 8.86 0.61 -0.27 0.66 3.57 -1.95 -2.76 116.94 125.65 2otl h PHE 25 Ca -0.47 -0.24 -0.07 0.00 3.53 0.00 0.00 57.97 60.71 2otl h PHE 25 Cb 1.24 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.86 2otl h PHE 25 CO 0.83 0.98 -0.14 0.87 -2.23 0.00 0.00 178.31 178.61 2otl h LYS 26 N 0.34 0.46 -0.11 1.11 1.57 -2.01 -1.76 116.57 116.17 2otl h LYS 26 Ca -0.01 -0.13 -0.18 0.00 -1.87 0.00 0.00 60.65 58.45 2otl h LYS 26 Cb 1.19 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 33.45 2otl h LYS 26 CO 0.11 0.59 -0.70 0.45 -0.57 0.00 0.00 179.45 179.34 2otl h HIS 27 N 0.42 0.66 -0.13 -1.35 3.86 -1.94 -2.95 115.15 113.73 2otl h HIS 27 Ca 0.08 -0.28 -0.00 0.00 -1.16 0.00 0.00 60.37 59.00 2otl h HIS 27 Cb 0.50 -0.11 -0.01 0.00 1.06 0.00 0.00 27.41 28.85 2otl h HIS 27 CO 0.02 1.04 0.07 0.77 0.86 0.00 0.00 177.93 180.69 2otl h SER 28 N 0.35 0.17 -0.68 2.45 0.02 -1.12 -1.02 113.55 113.72 2otl h SER 28 Ca -0.03 -0.09 0.09 0.00 -0.84 0.00 0.00 61.79 60.92 2otl h SER 28 Cb 1.27 -0.04 -0.07 0.00 0.14 0.00 0.00 62.40 63.70 2otl h SER 28 CO 0.13 0.21 0.33 0.11 -1.14 0.00 0.00 176.83 176.47 2otl h LYS 29 N 0.11 0.56 -0.69 3.45 1.57 -1.33 0.54 116.57 120.78 2otl h LYS 29 Ca 0.05 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.76 2otl h LYS 29 Cb 0.08 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.23 2otl h LYS 29 CO -0.01 0.37 0.31 0.00 -0.57 0.00 0.00 179.45 179.55 2otl h ALA 30 N 1.41 1.25 0.06 3.86 0.00 -1.30 -0.77 119.26 123.76 2otl h ALA 30 Ca 0.33 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 2otl h ALA 30 Cb 0.33 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2otl h ALA 30 CO -0.26 0.57 -0.03 0.82 0.00 0.00 0.00 179.25 180.36 2otl h ILE 31 N 0.98 1.28 0.08 0.00 2.04 -0.23 -2.77 117.51 118.88 2otl h ILE 31 Ca 0.24 -1.47 0.02 0.00 1.00 0.00 0.00 64.86 64.65 2otl h ILE 31 Cb 0.13 2.19 -0.05 0.00 -0.74 0.00 0.00 36.82 38.35 2otl h ILE 31 CO -0.03 0.35 -0.45 0.00 0.00 0.00 0.00 178.15 178.02 2otl h ALA 32 N 0.04 -0.79 -0.81 1.87 0.00 -0.89 0.69 119.26 119.39 2otl h ALA 32 Ca -0.01 -0.07 0.18 0.00 0.00 0.00 0.00 54.91 55.00 2otl h ALA 32 Cb 0.63 0.77 -0.15 0.00 0.00 0.00 0.00 17.79 19.04 2otl h ALA 32 CO 0.01 -1.02 -0.11 -0.09 0.00 0.00 0.00 179.25 178.05 2otl h ARG 33 N -0.66 0.03 -0.20 0.00 2.43 -1.24 -1.52 114.38 113.24 2otl h ARG 33 Ca 0.02 -0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.08 2otl h ARG 33 Cb 0.70 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.24 2otl h ARG 33 CO -0.28 0.02 -0.30 1.49 -1.51 0.00 0.00 179.97 179.39 2otl h GLU 34 N 0.03 0.55 -0.00 0.20 4.57 -1.03 -3.28 114.58 115.63 2otl h GLU 34 Ca 0.42 -0.33 0.00 0.00 -1.18 0.00 0.00 59.36 58.26 2otl h GLU 34 Cb 0.70 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.32 2otl h GLU 34 CO -0.78 0.94 -0.02 0.44 -1.18 0.00 0.00 179.01 178.41 2otl n ILE 35 N -4.34 0.00 -1.93 2.32 -5.35 0.15 -4.84 119.36 105.38 2otl n ILE 35 Ca -0.06 -0.00 -0.41 0.00 -0.27 0.00 0.00 62.75 62.01 2otl n ILE 35 Cb 0.48 -0.47 -0.01 0.00 -1.74 0.00 0.00 39.64 37.89 2otl n ILE 35 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 2otl s LYS 36 N -2.92 4.21 0.00 6.28 2.20 -0.64 -2.14 119.74 126.73 2otl s LYS 36 Ca 0.17 2.42 0.00 0.00 -0.36 0.00 0.00 55.97 58.20 2otl s LYS 36 Cb 0.19 -3.03 0.00 0.00 -1.51 0.00 0.00 37.83 33.48 2otl s LYS 36 CO 0.52 -0.42 0.00 0.41 -0.36 0.00 0.00 175.35 175.50 2otl n GLY 37 N 1.03 3.10 3.77 5.54 0.00 -0.54 -5.02 105.19 113.07 2otl n GLY 37 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 2otl n GLY 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2otl s LYS 38 N -0.35 1.22 0.20 1.61 1.02 -0.91 -4.58 119.74 117.95 2otl s LYS 38 Ca 0.00 0.42 -0.15 0.00 0.02 0.00 0.00 55.97 56.26 2otl s LYS 38 Cb 0.00 -1.84 -0.08 0.00 -0.52 0.00 0.00 37.83 35.40 2otl s LYS 38 CO 0.00 -2.17 0.62 0.99 -0.92 0.00 0.00 175.35 173.87 2otl s THR 39 N -3.19 4.78 0.27 2.17 2.01 -1.26 -0.83 115.64 119.59 2otl s THR 39 Ca 0.63 0.89 -0.01 0.00 0.31 0.00 0.00 61.69 63.51 2otl s THR 39 Cb -0.15 -3.73 0.29 0.00 0.01 0.00 0.00 72.50 68.92 2otl s THR 39 CO 0.54 0.13 1.65 0.00 -0.69 0.00 0.00 174.62 176.25 2otl h ALA 40 N 3.18 1.10 -0.45 7.40 0.00 -0.95 0.13 119.26 129.67 2otl h ALA 40 Ca -0.48 0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.60 2otl h ALA 40 Cb 1.19 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 19.29 2otl h ALA 40 CO 0.66 -0.43 0.08 0.78 0.00 0.00 0.00 179.25 180.34 2otl h GLY 41 N 0.20 0.80 0.92 0.00 0.00 -1.52 -1.67 103.07 101.80 2otl h GLY 41 Ca 0.49 -0.52 0.02 0.00 0.00 0.00 0.00 47.33 47.32 2otl h GLY 41 CO -0.63 0.49 0.47 0.83 0.00 0.00 0.00 176.54 177.69 2otl h GLU 42 N 0.61 0.92 -0.49 4.80 5.08 -1.33 -2.09 114.58 122.07 2otl h GLU 42 Ca 0.14 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 2otl h GLU 42 Cb 0.37 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 2otl h GLU 42 CO 0.01 0.61 0.26 0.00 -1.00 0.00 0.00 179.01 178.88 2otl h ALA 43 N 1.30 0.63 0.01 3.43 0.00 -0.55 -0.71 119.26 123.37 2otl h ALA 43 Ca 0.29 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 2otl h ALA 43 Cb -0.03 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.56 2otl h ALA 43 CO -0.09 0.16 -0.00 0.28 0.00 0.00 0.00 179.25 179.60 2otl h VAL 44 N 0.65 1.01 -0.96 0.00 2.07 -0.92 0.16 116.25 118.27 2otl h VAL 44 Ca 0.17 -0.05 0.04 0.00 0.82 0.00 0.00 66.70 67.68 2otl h VAL 44 Cb 0.07 1.05 -0.06 0.00 -1.52 0.00 0.00 31.29 30.83 2otl h VAL 44 CO -0.03 0.01 0.63 0.44 0.02 0.00 0.00 177.57 178.65 2otl h ASP 45 N -0.03 1.03 0.88 0.57 3.32 -1.24 -0.42 116.42 120.52 2otl h ASP 45 Ca -0.00 -0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.00 2otl h ASP 45 Cb 0.03 -0.23 0.01 0.00 0.22 0.00 0.00 39.33 39.36 2otl h ASP 45 CO 0.00 0.70 -0.42 0.22 -1.72 0.00 0.00 179.24 178.02 2otl h TYR 46 N 1.19 -1.09 -0.53 4.55 3.20 -0.64 -1.58 116.97 122.06 2otl h TYR 46 Ca 0.39 -0.03 0.12 0.00 3.14 0.00 0.00 58.73 62.36 2otl h TYR 46 Cb 0.04 0.36 -0.03 0.00 1.54 0.00 0.00 36.73 38.65 2otl h TYR 46 CO -0.00 -0.68 0.37 -0.07 -1.64 0.00 0.00 178.16 176.14 2otl h LEU 47 N -1.30 0.16 -0.43 2.82 3.38 -0.38 0.16 115.31 119.73 2otl h LEU 47 Ca -0.12 0.01 -0.18 0.00 0.09 0.00 0.00 57.88 57.68 2otl h LEU 47 Cb 0.90 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 2otl h LEU 47 CO 0.20 0.09 -0.75 -0.33 0.09 0.00 0.00 178.44 177.74 2otl h GLU 48 N 0.17 0.28 -0.15 1.13 5.08 -0.98 -0.82 114.58 119.29 2otl h GLU 48 Ca 0.25 -0.25 -0.14 0.00 -1.00 0.00 0.00 59.36 58.23 2otl h GLU 48 Cb 0.77 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.06 2otl h GLU 48 CO -0.04 0.91 -0.50 0.00 -1.00 0.00 0.00 179.01 178.38 2otl h ALA 49 N 1.02 0.85 -0.01 3.43 0.00 0.25 -0.37 119.26 124.43 2otl h ALA 49 Ca -0.03 -0.48 -0.00 0.00 0.00 0.00 0.00 54.91 54.40 2otl h ALA 49 Cb 1.32 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 2otl h ALA 49 CO 0.12 0.67 -0.00 0.28 0.00 0.00 0.00 179.25 180.32 2otl h VAL 50 N 0.33 1.25 -0.92 0.00 2.07 -0.70 0.44 116.25 118.73 2otl h VAL 50 Ca 0.01 -0.74 0.06 0.00 0.82 0.00 0.00 66.70 66.85 2otl h VAL 50 Cb 0.99 1.74 -0.06 0.00 -1.52 0.00 0.00 31.29 32.44 2otl h VAL 50 CO 0.09 0.19 0.59 0.40 0.02 0.00 0.00 177.57 178.86 2otl h ILE 51 N -0.30 1.07 0.00 4.57 2.04 -0.98 0.96 117.51 124.87 2otl h ILE 51 Ca 0.00 -0.37 -0.02 0.00 1.00 0.00 0.00 64.86 65.47 2otl h ILE 51 Cb 0.32 -0.09 -0.00 0.00 -0.74 0.00 0.00 36.82 36.30 2otl h ILE 51 CO 0.00 0.20 -0.11 -0.08 0.00 0.00 0.00 178.15 178.16 2otl h GLU 52 N 1.07 0.00 0.00 2.37 4.57 -0.88 -3.47 114.58 118.25 2otl h GLU 52 Ca 0.40 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.58 2otl h GLU 52 Cb 0.15 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.74 2otl h GLU 52 CO -0.17 0.11 0.00 0.41 -1.18 0.00 0.00 179.01 178.18 2otl n GLY 53 N 0.06 1.01 0.02 1.92 0.00 0.33 -4.98 105.19 103.56 2otl n GLY 53 Ca 0.00 -0.46 0.05 0.00 0.00 0.00 0.00 46.02 45.62 2otl n GLY 53 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2otl n ASP 54 N 0.93 1.05 -4.06 1.61 8.00 0.14 -4.91 116.55 119.31 2otl n ASP 54 Ca 0.00 0.00 -0.29 0.00 0.71 0.00 0.00 54.79 55.21 2otl n ASP 54 Cb 0.13 1.59 -0.17 0.00 -0.02 0.00 0.00 41.12 42.66 2otl n ASP 54 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 2otl s GLN 55 N -3.02 2.28 0.15 -1.24 2.00 -1.04 -4.96 119.66 113.83 2otl s GLN 55 Ca -0.07 -0.58 -0.15 0.00 -2.00 0.00 0.00 55.36 52.57 2otl s GLN 55 Cb 0.10 -1.96 -0.07 0.00 0.80 0.00 0.00 33.01 31.88 2otl s GLN 55 CO 0.71 -0.09 0.57 -1.25 -0.50 0.00 0.00 175.29 174.72 2otl s PRO 56 N 1.07 4.01 -0.25 1.67 0.04 -1.26 -3.97 135.00 136.31 2otl s PRO 56 Ca -0.05 0.54 -0.16 0.00 0.04 0.00 0.00 61.00 61.37 2otl s PRO 56 Cb -0.15 -2.94 -0.03 0.00 0.04 0.00 0.00 34.50 31.42 2otl s PRO 56 CO -0.03 0.48 0.44 0.08 0.04 0.00 0.00 177.00 178.01 2otl s VAL 57 N -1.46 5.13 0.15 -0.36 1.01 0.85 -4.86 120.40 120.86 2otl s VAL 57 Ca 0.38 0.74 -0.32 0.00 0.00 0.00 0.00 61.98 62.78 2otl s VAL 57 Cb -0.15 -3.76 -0.12 0.00 0.00 0.00 0.00 36.38 32.35 2otl s VAL 57 CO 0.19 0.14 1.77 -2.65 0.00 0.00 0.00 175.10 174.56 2otl n PRO 58 N 5.29 2.69 -3.51 2.72 -0.02 -1.26 -1.53 135.00 139.38 2otl n PRO 58 Ca -0.06 0.98 -0.42 0.00 -2.02 0.00 0.00 63.50 61.97 2otl n PRO 58 Cb 0.50 -2.84 -0.06 0.00 -0.02 0.00 0.00 33.50 31.08 2otl n PRO 58 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 2otl s PHE 59 N 2.06 3.54 -0.18 6.00 2.99 -0.13 -4.84 117.98 127.43 2otl s PHE 59 Ca 0.80 -2.18 0.22 0.00 0.00 0.00 0.00 56.93 55.76 2otl s PHE 59 Cb -0.52 -3.53 -0.09 0.00 0.00 0.00 0.00 43.02 38.88 2otl s PHE 59 CO 0.36 -0.94 0.89 1.63 -0.00 0.00 0.00 175.22 177.16 2otl n LYS 60 N 4.08 0.62 -0.06 0.44 5.02 -1.26 -4.33 118.16 122.66 2otl n LYS 60 Ca 0.05 0.07 -0.13 0.00 -2.02 0.00 0.00 58.31 56.28 2otl n LYS 60 Cb 0.42 -1.76 -0.04 0.00 -0.02 0.00 0.00 35.03 33.63 2otl n LYS 60 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 2otl n GLN 61 N -2.62 0.27 -2.81 1.97 7.27 -1.26 -4.78 117.38 115.43 2otl n GLN 61 Ca -0.03 0.12 -0.42 0.00 0.07 0.00 0.00 57.00 56.74 2otl n GLN 61 Cb 0.60 -0.95 0.01 0.00 2.41 0.00 0.00 30.24 32.31 2otl n GLN 61 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 2otl n HIS 62 N -3.60 2.42 0.20 3.69 8.25 -1.26 -4.65 115.22 120.27 2otl n HIS 62 Ca -0.24 -2.59 0.06 0.00 -0.26 0.00 0.00 57.72 54.69 2otl n HIS 62 Cb 0.65 -1.34 0.10 0.00 1.12 0.00 0.00 29.99 30.52 2otl n HIS 62 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 2otl n ASN 63 N 1.29 2.39 -4.65 0.41 6.94 -1.26 -4.95 115.26 115.43 2otl n ASN 63 Ca 0.34 -1.70 -0.46 0.00 -0.02 0.00 0.00 54.58 52.73 2otl n ASN 63 Cb 0.31 -0.10 -0.04 0.00 -2.36 0.00 0.00 39.78 37.59 2otl n ASN 63 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69 2otl n SER 64 N 0.61 3.50 0.00 0.53 3.41 -1.26 -1.04 113.62 119.37 2otl n SER 64 Ca 0.09 0.81 0.00 0.00 -0.26 0.00 0.00 58.87 59.51 2otl n SER 64 Cb 0.35 -1.42 0.00 0.00 -0.26 0.00 0.00 64.21 62.88 2otl n SER 64 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2otl n GLY 65 N 4.79 1.33 3.70 5.00 0.00 -1.26 -5.01 105.19 113.74 2otl n GLY 65 Ca 0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 2otl n GLY 65 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2otl s VAL 66 N -3.36 4.57 0.62 1.61 1.01 -0.20 -5.01 120.40 119.64 2otl s VAL 66 Ca 0.00 1.85 -0.17 0.00 0.00 0.00 0.00 61.98 63.67 2otl s VAL 66 Cb 0.00 -4.19 -0.02 0.00 0.00 0.00 0.00 36.38 32.17 2otl s VAL 66 CO 0.00 0.09 1.12 -0.83 0.00 0.00 0.00 175.10 175.48 2otl s GLY 67 N 1.11 2.32 0.47 4.51 0.00 -1.26 -4.77 107.32 109.71 2otl s GLY 67 Ca 0.53 0.64 -0.22 0.00 0.00 0.00 0.00 44.72 45.68 2otl s GLY 67 CO 0.25 1.00 1.11 0.30 0.00 0.00 0.00 173.10 175.76 2otl s HIS 68 N -2.14 2.93 -0.15 1.90 0.09 -1.26 -3.77 115.29 112.89 2otl s HIS 68 Ca 0.69 1.57 0.01 0.00 -0.00 0.00 0.00 55.06 57.32 2otl s HIS 68 Cb -0.22 -3.26 0.02 0.00 -0.00 0.00 0.00 32.58 29.13 2otl s HIS 68 CO 0.36 -1.23 -0.16 0.15 -0.00 0.00 0.00 174.74 173.87 2otl s LYS 69 N -2.88 2.42 0.19 1.40 -0.14 0.13 -4.91 119.74 115.95 2otl s LYS 69 Ca 0.65 -0.61 -0.12 0.00 -1.36 0.00 0.00 55.97 54.53 2otl s LYS 69 Cb -0.24 -2.16 0.19 0.00 -1.68 0.00 0.00 37.83 33.93 2otl s LYS 69 CO 0.29 -0.20 1.76 0.66 -0.76 0.00 0.00 175.35 177.10 2otl h SER 70 N 7.93 0.27 0.06 2.83 4.64 -1.96 -2.17 113.55 125.14 2otl h SER 70 Ca -0.38 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 2otl h SER 70 Cb 1.14 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 2otl h SER 70 CO 0.54 0.18 0.00 0.29 -0.87 0.00 0.00 176.83 176.97 2otl n LYS 71 N -4.95 0.08 -2.63 4.77 5.02 -1.26 -4.59 118.16 114.60 2otl n LYS 71 Ca 0.06 0.56 -0.43 0.00 -2.02 0.00 0.00 58.31 56.48 2otl n LYS 71 Cb 0.19 -1.75 -0.02 0.00 -0.02 0.00 0.00 35.03 33.43 2otl n LYS 71 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2otl s VAL 72 N -3.29 4.64 -0.15 -0.18 1.01 -0.82 -4.96 120.40 116.66 2otl s VAL 72 Ca -0.01 1.96 -0.12 0.00 0.00 0.00 0.00 61.98 63.82 2otl s VAL 72 Cb 0.04 -4.27 -0.05 0.00 0.00 0.00 0.00 36.38 32.11 2otl s VAL 72 CO 0.13 -0.14 0.23 -0.62 0.00 0.00 0.00 175.10 174.70 2otl s ASP 73 N 1.28 6.41 0.00 3.32 2.15 -1.26 -4.24 116.67 124.32 2otl s ASP 73 Ca 0.46 0.48 0.00 0.00 0.43 0.00 0.00 52.55 53.92 2otl s ASP 73 Cb -0.17 -2.14 0.00 0.00 -0.30 0.00 0.00 42.92 40.31 2otl s ASP 73 CO 0.09 0.20 0.00 0.61 -0.17 0.00 0.00 175.17 175.91 2otl n GLY 74 N 2.99 2.99 2.98 2.66 0.00 -1.26 -4.93 105.19 110.62 2otl n GLY 74 Ca -0.15 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.69 2otl n GLY 74 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 2otl n TRP 75 N -2.00 -0.63 0.00 1.61 -0.00 -1.26 -5.12 117.44 110.04 2otl n TRP 75 Ca 0.00 -2.58 0.00 0.00 -0.00 0.00 0.00 57.50 54.92 2otl n TRP 75 Cb 0.00 0.24 0.00 0.00 -0.00 0.00 0.00 31.31 31.55 2otl n TRP 75 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 177.69 177.29 2otl n ASP 76 N -1.76 0.93 -4.80 5.87 5.68 -1.26 -4.74 116.55 116.47 2otl n ASP 76 Ca 0.06 0.00 -0.37 0.00 -0.50 0.00 0.00 54.79 53.98 2otl n ASP 76 Cb 0.56 0.00 -0.06 0.00 -1.14 0.00 0.00 41.12 40.48 2otl n ASP 76 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2otl s ALA 77 N -1.95 3.38 -0.08 2.12 0.00 -1.26 0.21 121.76 124.17 2otl s ALA 77 Ca 0.00 0.26 -0.30 0.00 0.00 0.00 0.00 51.96 51.91 2otl s ALA 77 Cb 0.00 -2.90 0.12 0.00 0.00 0.00 0.00 23.12 20.33 2otl s ALA 77 CO 0.00 0.30 0.98 0.20 0.00 0.00 0.00 175.76 177.24 2otl s GLY 78 N -1.58 -0.38 0.02 0.00 0.00 -1.25 -0.96 107.32 103.18 2otl s GLY 78 Ca 0.43 1.37 0.01 0.00 0.00 0.00 0.00 44.72 46.53 2otl s GLY 78 CO 0.22 0.53 0.02 0.54 0.00 0.00 0.00 173.10 174.41 2otl n ARG 79 N 0.00 0.03 -3.37 2.90 1.74 -0.58 -4.79 116.66 112.59 2otl n ARG 79 Ca -0.07 -0.23 -0.26 0.00 -0.77 0.00 0.00 57.85 56.52 2otl n ARG 79 Cb 0.60 0.19 -0.08 0.00 -1.02 0.00 0.00 32.46 32.15 2otl n ARG 79 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 2otl n TYR 80 N -0.04 2.45 -1.63 -1.55 4.02 -1.26 -0.10 117.16 119.04 2otl n TYR 80 Ca 0.01 -3.98 -0.15 0.00 -0.01 0.00 0.00 57.90 53.76 2otl n TYR 80 Cb 0.04 -0.49 -0.08 0.00 -0.02 0.00 0.00 39.34 38.79 2otl n TYR 80 CO 0.00 0.00 0.00 -2.14 -1.01 0.00 0.00 176.86 173.71 2otl s PRO 81 N -2.05 1.56 0.21 -0.72 0.02 -1.26 -4.79 135.00 127.97 2otl s PRO 81 Ca 0.38 0.11 0.08 0.00 0.02 0.00 0.00 61.00 61.59 2otl s PRO 81 Cb 0.15 -4.88 0.14 0.00 0.02 0.00 0.00 34.50 29.94 2otl s PRO 81 CO -0.05 -4.69 1.49 1.05 -0.33 0.00 0.00 177.00 174.47 2otl h GLU 82 N 12.18 0.03 0.09 5.54 -0.00 -1.92 -1.93 114.58 128.56 2otl h GLU 82 Ca 0.02 -0.03 -0.00 0.00 -0.00 0.00 0.00 59.36 59.35 2otl h GLU 82 Cb 1.00 0.01 0.00 0.00 -0.00 0.00 0.00 28.75 29.76 2otl h GLU 82 CO 1.03 0.77 -0.04 -0.22 -0.00 0.00 0.00 179.01 180.55 2otl h LYS 83 N 0.02 -0.12 0.00 1.06 3.64 -2.00 -1.67 116.57 117.50 2otl h LYS 83 Ca -0.01 0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 2otl h LYS 83 Cb 1.34 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 33.18 2otl h LYS 83 CO 0.10 0.38 -0.14 0.00 -2.27 0.00 0.00 179.45 177.52 2otl h ALA 84 N 0.08 1.31 -0.07 5.00 0.00 -1.93 -2.32 119.26 121.32 2otl h ALA 84 Ca -0.01 -0.13 -0.23 0.00 0.00 0.00 0.00 54.91 54.54 2otl h ALA 84 Cb 0.55 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.34 2otl h ALA 84 CO 0.02 0.18 -0.86 0.77 0.00 0.00 0.00 179.25 179.36 2otl h SER 85 N 0.00 0.87 0.20 0.00 0.02 -1.29 -2.16 113.55 111.20 2otl h SER 85 Ca -0.00 -0.69 -0.04 0.00 -0.84 0.00 0.00 61.79 60.22 2otl h SER 85 Cb 0.37 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.64 2otl h SER 85 CO 0.02 1.44 -0.18 0.11 -1.14 0.00 0.00 176.83 177.07 2otl h LYS 86 N 0.38 0.00 0.01 3.45 1.57 -0.91 -0.09 116.57 120.98 2otl h LYS 86 Ca -0.09 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.47 2otl h LYS 86 Cb 1.51 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.82 2otl h LYS 86 CO 0.17 0.18 -0.94 0.00 -0.57 0.00 0.00 179.45 178.30 2otl h ALA 87 N 1.82 0.39 0.00 3.86 0.00 -1.34 -2.73 119.26 121.27 2otl h ALA 87 Ca -0.00 -0.72 -0.09 0.00 0.00 0.00 0.00 54.91 54.09 2otl h ALA 87 Cb 0.33 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2otl h ALA 87 CO 0.02 0.85 -0.44 0.74 0.00 0.00 0.00 179.25 180.43 2otl h PHE 88 N 0.19 0.00 -0.03 0.00 -1.00 -0.71 -2.09 116.94 113.30 2otl h PHE 88 Ca -0.07 0.00 -0.11 0.00 2.81 0.00 0.00 57.97 60.60 2otl h PHE 88 Cb 1.58 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 41.12 2otl h PHE 88 CO 0.05 0.44 -0.50 -0.07 -1.61 0.00 0.00 178.31 176.61 2otl h LEU 89 N 0.00 0.08 -0.32 1.54 3.38 -0.89 0.46 115.31 119.56 2otl h LEU 89 Ca -0.00 -0.04 -0.18 0.00 0.09 0.00 0.00 57.88 57.74 2otl h LEU 89 Cb 0.96 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.69 2otl h LEU 89 CO 0.06 0.57 -0.52 0.44 0.09 0.00 0.00 178.44 179.08 2otl h ASP 90 N 0.06 0.97 0.06 -0.43 3.32 -1.15 0.38 116.42 119.63 2otl h ASP 90 Ca -0.00 -0.51 -0.07 0.00 0.02 0.00 0.00 57.03 56.47 2otl h ASP 90 Cb 0.91 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 40.17 2otl h ASP 90 CO 0.07 1.31 -0.21 0.25 -1.72 0.00 0.00 179.24 178.93 2otl h LEU 91 N 0.68 0.27 0.18 1.55 5.85 -0.94 -1.35 115.31 121.54 2otl h LEU 91 Ca 0.02 -0.07 -0.30 0.00 0.84 0.00 0.00 57.88 58.37 2otl h LEU 91 Cb 1.13 -0.07 0.02 0.00 0.37 0.00 0.00 40.66 42.10 2otl h LEU 91 CO 0.12 0.50 -1.35 -0.07 -0.34 0.00 0.00 178.44 177.30 2otl h LEU 92 N 0.25 0.58 -0.78 2.25 3.38 -0.72 -2.10 115.31 118.18 2otl h LEU 92 Ca 0.04 -0.63 -0.03 0.00 0.09 0.00 0.00 57.88 57.36 2otl h LEU 92 Cb 0.52 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.05 2otl h LEU 92 CO 0.04 1.50 0.39 -0.08 0.09 0.00 0.00 178.44 180.37 2otl h GLU 93 N 0.10 1.11 -0.07 1.13 4.81 -0.67 -0.19 114.58 120.80 2otl h GLU 93 Ca -0.19 -0.16 -0.03 0.00 -0.13 0.00 0.00 59.36 58.86 2otl h GLU 93 Cb 2.05 -0.20 -0.00 0.00 0.63 0.00 0.00 28.75 31.22 2otl h GLU 93 CO 0.23 0.85 -0.08 -0.97 -0.73 0.00 0.00 179.01 178.31 2otl h ASN 94 N 1.09 0.20 -0.23 1.04 -1.24 -1.31 -1.44 115.58 113.69 2otl h ASN 94 Ca 0.27 -0.50 0.02 0.00 0.71 0.00 0.00 56.30 56.80 2otl h ASN 94 Cb 0.10 -0.06 -0.02 0.00 0.73 0.00 0.00 38.32 39.07 2otl h ASN 94 CO -0.04 0.66 0.08 0.00 -1.29 0.00 0.00 177.43 176.84 2otl h ALA 95 N 0.55 0.25 -0.01 1.57 0.00 -1.17 0.13 119.26 120.58 2otl h ALA 95 Ca 0.01 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 2otl h ALA 95 Cb 0.60 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 2otl h ALA 95 CO 0.02 -0.34 -0.34 0.28 0.00 0.00 0.00 179.25 178.87 2otl h VAL 96 N 0.18 1.24 0.28 0.00 2.07 -1.09 -1.39 116.25 117.55 2otl h VAL 96 Ca 0.10 -1.17 -0.01 0.00 0.82 0.00 0.00 66.70 66.44 2otl h VAL 96 Cb 0.07 1.62 0.00 0.00 -1.52 0.00 0.00 31.29 31.46 2otl h VAL 96 CO -0.10 0.33 -0.13 1.23 0.02 0.00 0.00 177.57 178.92 2otl h GLY 97 N 1.02 -0.39 0.46 2.17 0.00 -0.50 -1.82 103.07 104.01 2otl h GLY 97 Ca -0.00 0.14 0.15 0.00 0.00 0.00 0.00 47.33 47.62 2otl h GLY 97 CO 0.04 -0.14 0.59 3.43 0.00 0.00 0.00 176.54 180.47 2otl h ASN 98 N -0.80 0.72 -0.26 0.19 -0.26 -0.66 -1.71 115.58 112.81 2otl h ASN 98 Ca -0.04 0.05 -0.04 0.00 -0.56 0.00 0.00 56.30 55.71 2otl h ASN 98 Cb 0.51 -0.09 -0.01 0.00 -1.06 0.00 0.00 38.32 37.67 2otl h ASN 98 CO 0.06 0.36 0.02 0.00 -1.06 0.00 0.00 177.43 176.81 2otl h ALA 99 N 1.59 0.34 -0.37 -0.83 0.00 -1.19 -2.99 119.26 115.80 2otl h ALA 99 Ca 0.47 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 2otl h ALA 99 Cb 0.70 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 2otl h ALA 99 CO -0.24 0.05 0.14 -0.44 0.00 0.00 0.00 179.25 178.76 2otl h ASP 100 N 0.23 0.53 0.06 0.00 3.32 -0.54 -1.39 116.42 118.63 2otl h ASP 100 Ca 0.08 -0.18 0.00 0.00 0.02 0.00 0.00 57.03 56.95 2otl h ASP 100 Cb 0.37 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.78 2otl h ASP 100 CO 0.01 0.56 0.00 1.57 -1.72 0.00 0.00 179.24 179.66 2otl n HIS 101 N -4.65 0.38 0.84 4.55 -0.00 -0.72 -0.40 115.22 115.22 2otl n HIS 101 Ca -0.01 0.19 0.10 0.00 0.46 0.00 0.00 57.72 58.47 2otl n HIS 101 Cb 0.15 -0.81 0.05 0.00 -0.12 0.00 0.00 29.99 29.26 2otl n HIS 101 CO 0.00 0.00 0.00 1.04 0.46 0.00 0.00 176.34 177.84 2otl n GLN 102 N -1.89 1.67 -0.14 1.57 6.02 -0.83 -4.97 117.38 118.82 2otl n GLN 102 Ca -0.00 -1.40 0.00 0.00 -0.01 0.00 0.00 57.00 55.59 2otl n GLN 102 Cb 0.03 -1.38 0.00 0.00 1.02 0.00 0.00 30.24 29.92 2otl n GLN 102 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2otl n GLY 103 N 1.18 0.65 3.96 1.08 0.00 0.47 -5.08 105.19 107.44 2otl n GLY 103 Ca 0.10 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.85 2otl n GLY 103 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2otl s PHE 104 N -2.22 1.66 -0.98 1.61 0.40 -0.59 -5.00 117.98 112.87 2otl s PHE 104 Ca 0.00 0.07 -0.05 0.00 -0.60 0.00 0.00 56.93 56.35 2otl s PHE 104 Cb 0.00 -3.59 0.24 0.00 0.51 0.00 0.00 43.02 40.18 2otl s PHE 104 CO 0.00 -2.19 0.91 0.34 0.70 0.00 0.00 175.22 174.98 2otl s ASP 105 N -4.81 6.54 0.13 1.36 2.15 -1.26 -4.28 116.67 116.50 2otl s ASP 105 Ca 0.70 -3.65 -0.25 0.00 0.43 0.00 0.00 52.55 49.78 2otl s ASP 105 Cb -0.05 -2.03 -0.06 0.00 -0.30 0.00 0.00 42.92 40.48 2otl s ASP 105 CO 0.49 -0.23 1.26 0.61 -0.17 0.00 0.00 175.17 177.13 2otl n GLY 106 N 2.52 -2.16 0.36 2.66 0.00 -1.26 -1.60 105.19 105.71 2otl n GLY 106 Ca 0.22 0.97 0.08 0.00 0.00 0.00 0.00 46.02 47.29 2otl n GLY 106 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2otl h GLU 107 N 0.00 0.83 -0.00 1.61 5.08 -1.93 -2.21 114.58 117.95 2otl h GLU 107 Ca 0.13 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 2otl h GLU 107 Cb 0.33 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.39 2otl h GLU 107 CO -0.76 0.55 -0.08 0.00 -1.00 0.00 0.00 179.01 177.72 2otl n ALA 108 N -2.41 2.67 -1.77 3.43 0.00 -0.63 -1.41 120.51 120.38 2otl n ALA 108 Ca 0.15 -0.21 -0.40 0.00 0.00 0.00 0.00 53.44 52.98 2otl n ALA 108 Cb 0.32 -1.39 -0.04 0.00 0.00 0.00 0.00 19.45 18.34 2otl n ALA 108 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2otl s MET 109 N -2.59 4.57 0.09 0.00 -1.94 -0.83 -4.64 119.30 113.96 2otl s MET 109 Ca 0.26 1.90 -0.30 0.00 -1.71 0.00 0.00 55.69 55.85 2otl s MET 109 Cb 0.20 -3.16 -0.05 0.00 2.01 0.00 0.00 34.83 33.82 2otl s MET 109 CO 0.49 0.11 0.95 0.99 -0.01 0.00 0.00 175.02 177.55 2otl s THR 110 N -1.12 4.58 -0.91 2.05 2.01 -0.35 -0.88 115.64 121.02 2otl s THR 110 Ca 0.46 2.03 -0.24 0.00 0.31 0.00 0.00 61.69 64.24 2otl s THR 110 Cb -0.34 -4.30 0.00 0.00 0.01 0.00 0.00 72.50 67.87 2otl s THR 110 CO 0.44 0.30 1.68 -0.63 -0.69 0.00 0.00 174.62 175.71 2otl s ILE 111 N 0.16 3.65 0.18 1.82 1.01 -0.01 -0.90 121.20 127.11 2otl s ILE 111 Ca 0.47 -0.41 -0.05 0.00 0.00 0.00 0.00 60.65 60.66 2otl s ILE 111 Cb -0.23 -4.50 -0.06 0.00 0.01 0.00 0.00 42.46 37.68 2otl s ILE 111 CO 0.29 -1.42 1.48 0.50 0.00 0.00 0.00 174.94 175.79 2otl h LYS 112 N 10.92 0.61 -2.71 2.79 3.64 -1.41 -1.44 116.57 128.97 2otl h LYS 112 Ca 0.07 -0.39 -0.12 0.00 -1.27 0.00 0.00 60.65 58.94 2otl h LYS 112 Cb 1.03 0.05 -0.25 0.00 -0.41 0.00 0.00 32.23 32.64 2otl h LYS 112 CO 1.31 1.01 -0.27 -1.58 -2.27 0.00 0.00 179.45 177.64 2otl s HIS 113 N -4.01 -0.51 -0.23 1.91 5.04 -1.07 -4.88 115.29 111.54 2otl s HIS 113 Ca -0.08 1.17 -0.09 0.00 -1.54 0.00 0.00 55.06 54.52 2otl s HIS 113 Cb 0.11 0.20 0.09 0.00 0.04 0.00 0.00 32.58 33.02 2otl s HIS 113 CO 0.85 -0.27 0.50 0.54 -2.34 0.00 0.00 174.74 174.02 2otl s VAL 114 N 0.75 -0.56 -0.16 0.89 0.11 -1.26 0.41 120.40 120.59 2otl s VAL 114 Ca -0.04 0.10 -0.15 0.00 -2.93 0.00 0.00 61.98 58.96 2otl s VAL 114 Cb -0.05 -0.78 0.04 0.00 -1.53 0.00 0.00 36.38 34.06 2otl s VAL 114 CO -0.05 0.04 0.42 0.00 -3.33 0.00 0.00 175.10 172.18 2otl s ALA 115 N 2.38 -1.04 0.10 1.54 0.00 -0.79 -4.74 121.76 119.21 2otl s ALA 115 Ca -0.05 1.17 -0.05 0.00 0.00 0.00 0.00 51.96 53.04 2otl s ALA 115 Cb -0.11 -0.68 -0.05 0.00 0.00 0.00 0.00 23.12 22.28 2otl s ALA 115 CO -0.15 -0.20 0.33 0.00 0.00 0.00 0.00 175.76 175.74 2otl s ALA 116 N 0.20 3.83 -0.03 0.00 0.00 -1.26 -1.75 121.76 122.74 2otl s ALA 116 Ca -0.00 -0.58 -0.01 0.00 0.00 0.00 0.00 51.96 51.36 2otl s ALA 116 Cb -0.03 -2.09 0.03 0.00 0.00 0.00 0.00 23.12 21.04 2otl s ALA 116 CO 0.01 0.68 0.07 -1.01 0.00 0.00 0.00 175.76 175.50 2otl s HIS 117 N -1.54 -0.03 -0.47 0.00 3.76 0.08 -4.96 115.29 112.13 2otl s HIS 117 Ca 0.37 0.24 -0.27 0.00 -0.15 0.00 0.00 55.06 55.24 2otl s HIS 117 Cb -0.13 -0.19 0.03 0.00 1.11 0.00 0.00 32.58 33.40 2otl s HIS 117 CO 0.23 -0.11 1.02 0.21 -0.85 0.00 0.00 174.74 175.23 2otl s LYS 118 N 1.09 3.61 0.09 1.40 2.20 -1.26 -1.08 119.74 125.79 2otl s LYS 118 Ca -0.09 0.32 0.24 0.00 -0.36 0.00 0.00 55.97 56.08 2otl s LYS 118 Cb -0.12 -3.92 0.27 0.00 -1.51 0.00 0.00 37.83 32.55 2otl s LYS 118 CO -0.04 -1.30 1.24 0.28 -0.36 0.00 0.00 175.35 175.18 2otl n VAL 119 N 6.61 0.28 -2.96 4.02 0.31 -0.36 -4.99 118.33 121.23 2otl n VAL 119 Ca 0.09 -0.25 0.00 0.00 -0.01 0.00 0.00 64.34 64.17 2otl n VAL 119 Cb 0.49 -0.01 0.00 0.00 -0.91 0.00 0.00 33.84 33.41 2otl n VAL 119 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2otl n GLY 120 N 1.36 -1.73 2.96 2.92 0.00 -1.15 -4.98 105.19 104.57 2otl n GLY 120 Ca 0.03 -1.22 -0.19 0.00 0.00 0.00 0.00 46.02 44.63 2otl n GLY 120 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2otl s GLU 121 N -1.89 0.81 -0.40 1.61 2.02 -1.26 0.76 118.70 120.35 2otl s GLU 121 Ca 0.00 -0.23 -0.25 0.00 0.02 0.00 0.00 54.97 54.51 2otl s GLU 121 Cb 0.00 -0.77 0.02 0.00 0.10 0.00 0.00 34.13 33.47 2otl s GLU 121 CO 0.00 0.06 0.91 -1.14 0.02 0.00 0.00 175.26 175.12 2otl s GLN 122 N 0.31 3.73 0.23 1.61 0.74 0.42 -4.88 119.66 121.81 2otl s GLN 122 Ca -0.04 0.41 -0.30 0.00 0.05 0.00 0.00 55.36 55.48 2otl s GLN 122 Cb -0.09 -3.85 -0.09 0.00 1.10 0.00 0.00 33.01 30.09 2otl s GLN 122 CO 0.00 -1.03 1.11 -0.65 -0.55 0.00 0.00 175.29 174.17 2otl s GLN 123 N 3.54 4.60 0.09 1.67 -0.21 -1.26 -1.47 119.66 126.61 2otl s GLN 123 Ca 0.37 1.78 0.01 0.00 0.02 0.00 0.00 55.36 57.55 2otl s GLN 123 Cb -0.11 -3.23 -0.04 0.00 1.00 0.00 0.00 33.01 30.62 2otl s GLN 123 CO 0.21 0.12 -0.06 0.20 -2.12 0.00 0.00 175.29 173.64 2otl s GLY 124 N -0.43 0.72 -0.10 3.09 0.00 -0.98 -4.96 107.32 104.67 2otl s GLY 124 Ca 0.48 -1.31 0.00 0.00 0.00 0.00 0.00 44.72 43.89 2otl s GLY 124 CO 0.38 -1.41 -0.09 -1.60 0.00 0.00 0.00 173.10 170.38 2otl s ARG 125 N -3.73 1.58 -0.29 2.90 6.06 -1.26 -0.76 118.95 123.44 2otl s ARG 125 Ca 0.10 -0.30 -0.08 0.00 -2.50 0.00 0.00 55.73 52.95 2otl s ARG 125 Cb 0.05 -1.55 -0.01 0.00 0.06 0.00 0.00 34.95 33.50 2otl s ARG 125 CO -0.05 -0.20 0.11 0.21 -2.50 0.00 0.00 175.30 172.88 2otl s LYS 126 N 1.45 3.39 0.20 5.12 2.47 0.89 -4.88 119.74 128.38 2otl s LYS 126 Ca 0.00 -0.67 -0.31 0.00 -1.56 0.00 0.00 55.97 53.43 2otl s LYS 126 Cb -0.13 -3.46 -0.10 0.00 -1.46 0.00 0.00 37.83 32.68 2otl s LYS 126 CO -0.06 -0.35 1.55 -2.14 0.16 0.00 0.00 175.35 174.52 2otl s PRO 127 N 1.59 4.21 0.55 4.03 0.02 -1.26 -1.91 135.00 142.23 2otl s PRO 127 Ca 0.05 2.38 0.04 0.00 0.02 0.00 0.00 61.00 63.49 2otl s PRO 127 Cb -0.16 -3.13 0.03 0.00 0.02 0.00 0.00 34.50 31.26 2otl s PRO 127 CO 0.05 -0.58 0.28 1.03 -0.33 0.00 0.00 177.00 177.45 2otl s ARG 128 N 0.67 2.23 0.86 5.54 1.81 0.14 -4.94 118.95 125.26 2otl s ARG 128 Ca 0.67 -2.18 -0.11 0.00 -1.72 0.00 0.00 55.73 52.39 2otl s ARG 128 Cb -0.44 -1.90 0.10 0.00 -0.45 0.00 0.00 34.95 32.26 2otl s ARG 128 CO 0.35 -0.58 1.09 0.00 -0.68 0.00 0.00 175.30 175.49 2otl s ALA 129 N -2.83 1.84 -1.15 2.13 0.00 -1.26 -4.05 121.76 116.43 2otl s ALA 129 Ca 0.23 -0.12 0.00 0.00 0.00 0.00 0.00 51.96 52.06 2otl s ALA 129 Cb -0.01 -3.16 0.00 0.00 0.00 0.00 0.00 23.12 19.95 2otl s ALA 129 CO 0.14 -2.10 0.00 -1.33 0.00 0.00 0.00 175.76 172.48 2otl n MET 130 N -3.70 -0.76 -0.98 0.00 2.81 -1.26 -3.41 117.12 109.82 2otl n MET 130 Ca 0.07 0.87 0.00 0.00 -1.81 0.00 0.00 57.70 56.83 2otl n MET 130 Cb 0.56 -4.84 0.00 0.00 -0.71 0.00 0.00 33.22 28.22 2otl n MET 130 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2otl n GLY 131 N -1.62 0.65 3.88 3.03 0.00 -1.26 -5.03 105.19 104.85 2otl n GLY 131 Ca -0.11 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.67 2otl n GLY 131 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2otl s ARG 132 N -0.14 3.19 0.21 1.61 3.52 -1.22 -5.00 118.95 121.12 2otl s ARG 132 Ca 0.00 -0.80 0.07 0.00 -0.13 0.00 0.00 55.73 54.87 2otl s ARG 132 Cb 0.00 -2.78 -0.05 0.00 -1.56 0.00 0.00 34.95 30.56 2otl s ARG 132 CO 0.00 0.47 -0.13 0.00 -0.81 0.00 0.00 175.30 174.83 2otl s ALA 133 N -1.87 1.99 0.15 6.12 0.00 -1.26 -0.69 121.76 126.21 2otl s ALA 133 Ca 0.33 -1.68 -0.09 0.00 0.00 0.00 0.00 51.96 50.52 2otl s ALA 133 Cb -0.10 -0.02 -0.01 0.00 0.00 0.00 0.00 23.12 22.99 2otl s ALA 133 CO 0.26 0.03 0.28 -1.54 0.00 0.00 0.00 175.76 174.78 2otl s SER 134 N -3.32 0.05 0.52 0.00 1.04 -0.80 -4.90 113.70 106.29 2otl s SER 134 Ca 0.23 -0.84 -0.22 0.00 0.48 0.00 0.00 55.95 55.60 2otl s SER 134 Cb 0.00 0.43 -0.06 0.00 0.10 0.00 0.00 66.02 66.49 2otl s SER 134 CO 0.07 -0.87 1.35 0.00 0.98 0.00 0.00 173.24 174.77 2otl s ALA 135 N -3.95 2.90 -0.47 5.32 0.00 -1.26 -0.08 121.76 124.22 2otl s ALA 135 Ca 0.15 1.32 0.06 0.00 0.00 0.00 0.00 51.96 53.50 2otl s ALA 135 Cb 0.03 -3.56 0.19 0.00 0.00 0.00 0.00 23.12 19.78 2otl s ALA 135 CO -0.01 -1.29 0.58 1.87 0.00 0.00 0.00 175.76 176.90 2otl n TRP 136 N -0.85 -2.56 -3.63 0.00 -0.00 0.06 -4.60 117.44 105.86 2otl n TRP 136 Ca 0.09 -2.22 -0.20 0.00 -0.00 0.00 0.00 57.50 55.17 2otl n TRP 136 Cb 0.45 0.95 -0.02 0.00 -0.00 0.00 0.00 31.31 32.69 2otl n TRP 136 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 177.69 176.89 2otl s ASN 137 N 0.36 5.77 -0.12 5.87 0.01 -1.26 -2.31 114.94 123.26 2otl s ASN 137 Ca 0.31 -0.27 0.03 0.00 -0.71 0.00 0.00 52.86 52.22 2otl s ASN 137 Cb 0.03 -1.20 0.01 0.00 0.41 0.00 0.00 41.25 40.50 2otl s ASN 137 CO -0.12 -0.37 -0.21 -0.44 -1.51 0.00 0.00 177.10 174.45 2otl s SER 138 N -4.09 2.93 0.54 -1.22 0.01 -0.54 -4.95 113.70 106.38 2otl s SER 138 Ca 0.43 -0.55 -0.20 0.00 1.31 0.00 0.00 55.95 56.94 2otl s SER 138 Cb -0.08 -1.35 -0.06 0.00 0.21 0.00 0.00 66.02 64.74 2otl s SER 138 CO 0.29 0.09 1.15 -2.84 0.41 0.00 0.00 173.24 172.35 2otl s PRO 139 N 0.69 3.35 -0.18 12.44 0.02 -1.26 -0.44 135.00 149.61 2otl s PRO 139 Ca -0.11 1.68 0.01 0.00 0.02 0.00 0.00 61.00 62.60 2otl s PRO 139 Cb -0.16 -2.05 0.02 0.00 0.02 0.00 0.00 34.50 32.33 2otl s PRO 139 CO 0.02 -0.87 -0.19 -0.65 -0.33 0.00 0.00 177.00 174.98 2otl s GLN 140 N -3.21 2.91 -0.03 5.54 -0.21 0.23 -3.50 119.66 121.39 2otl s GLN 140 Ca 0.72 -0.83 0.05 0.00 0.02 0.00 0.00 55.36 55.32 2otl s GLN 140 Cb -0.26 -2.55 -0.03 0.00 1.00 0.00 0.00 33.01 31.18 2otl s GLN 140 CO 0.29 -0.23 -0.17 0.08 -2.12 0.00 0.00 175.29 173.15 2otl s VAL 141 N 1.30 2.87 0.18 1.09 1.01 0.21 -1.23 120.40 125.83 2otl s VAL 141 Ca 0.04 -0.84 0.08 0.00 0.00 0.00 0.00 61.98 61.26 2otl s VAL 141 Cb -0.13 -2.12 -0.04 0.00 0.00 0.00 0.00 36.38 34.09 2otl s VAL 141 CO -0.13 0.56 -0.06 -1.81 0.00 0.00 0.00 175.10 173.67 2otl s ASP 142 N -0.80 4.47 -0.24 3.32 1.11 -0.24 0.17 116.67 124.46 2otl s ASP 142 Ca 0.12 -0.50 -0.09 0.00 0.18 0.00 0.00 52.55 52.25 2otl s ASP 142 Cb -0.10 -0.84 0.10 0.00 1.07 0.00 0.00 42.92 43.15 2otl s ASP 142 CO 0.01 0.10 0.54 0.54 1.18 0.00 0.00 175.17 177.53 2otl s VAL 143 N -1.71 -0.69 0.10 -1.27 0.11 -1.02 -0.74 120.40 115.19 2otl s VAL 143 Ca 0.26 0.08 -0.09 0.00 -2.93 0.00 0.00 61.98 59.30 2otl s VAL 143 Cb -0.09 -0.83 -0.06 0.00 -1.53 0.00 0.00 36.38 33.87 2otl s VAL 143 CO 0.17 0.03 0.40 -1.83 -3.33 0.00 0.00 175.10 170.54 2otl s GLU 144 N 2.55 3.73 -0.02 1.54 -1.05 -0.72 -1.45 118.70 123.28 2otl s GLU 144 Ca -0.05 0.12 -0.01 0.00 -0.15 0.00 0.00 54.97 54.88 2otl s GLU 144 Cb -0.11 -2.95 0.02 0.00 -0.44 0.00 0.00 34.13 30.65 2otl s GLU 144 CO -0.16 0.53 0.04 -1.17 0.95 0.00 0.00 175.26 175.45 2otl s LEU 145 N -2.11 1.39 -0.13 1.83 2.96 -0.11 -1.89 118.68 120.62 2otl s LEU 145 Ca 0.35 0.08 -0.01 0.00 -0.22 0.00 0.00 54.13 54.34 2otl s LEU 145 Cb -0.13 0.06 0.03 0.00 0.50 0.00 0.00 46.19 46.65 2otl s LEU 145 CO 0.19 -0.08 -0.06 -0.63 -1.32 0.00 0.00 176.35 174.46 2otl s ILE 146 N 0.61 1.00 -0.07 6.68 1.01 0.17 -1.92 121.20 128.67 2otl s ILE 146 Ca -0.05 -0.39 -0.12 0.00 0.00 0.00 0.00 60.65 60.09 2otl s ILE 146 Cb -0.07 -1.10 -0.05 0.00 0.01 0.00 0.00 42.46 41.25 2otl s ILE 146 CO -0.02 0.26 0.29 -0.76 0.00 0.00 0.00 174.94 174.71 2otl s LEU 147 N 1.70 4.40 0.09 2.97 1.43 0.53 -1.04 118.68 128.76 2otl s LEU 147 Ca 0.03 0.70 0.07 0.00 -1.03 0.00 0.00 54.13 53.90 2otl s LEU 147 Cb -0.14 -2.36 -0.03 0.00 0.03 0.00 0.00 46.19 43.69 2otl s LEU 147 CO -0.08 0.31 -0.18 -0.70 0.23 0.00 0.00 176.35 175.93 2otl s GLU 148 N -0.74 1.02 0.17 1.70 2.12 -0.08 -0.91 118.70 121.99 2otl s GLU 148 Ca 0.19 -1.07 -0.30 0.00 0.36 0.00 0.00 54.97 54.15 2otl s GLU 148 Cb -0.14 -1.18 -0.08 0.00 0.26 0.00 0.00 34.13 32.98 2otl s GLU 148 CO 0.08 0.27 1.26 -1.21 -0.54 0.00 0.00 175.26 175.13 2otl s GLU 149 N -1.81 4.42 0.00 4.30 2.02 -1.08 -1.21 118.70 125.34 2otl s GLU 149 Ca 0.03 1.96 0.00 0.00 0.02 0.00 0.00 54.97 56.99 2otl s GLU 149 Cb -0.10 -3.23 0.00 0.00 0.10 0.00 0.00 34.13 30.90 2otl s GLU 149 CO 0.03 -0.21 0.45 -2.30 0.02 0.00 0.00 175.26 173.26