#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a18 s SER 5 N 0.00 4.84 0.84 1.08 1.04 -1.26 -4.56 113.70 115.67 2a18 s SER 5 Ca 0.00 1.80 -0.12 0.00 0.48 0.00 0.00 55.95 58.11 2a18 s SER 5 Cb 0.00 -2.52 0.10 0.00 0.10 0.00 0.00 66.02 63.70 2a18 s SER 5 CO 0.00 -1.81 1.18 0.00 0.98 0.00 0.00 173.24 173.59 2a18 s ALA 6 N -2.84 1.74 -0.06 5.32 0.00 0.49 -4.48 121.76 121.94 2a18 s ALA 6 Ca 0.61 0.74 0.05 0.00 0.00 0.00 0.00 51.96 53.36 2a18 s ALA 6 Cb -0.17 -3.47 -0.01 0.00 0.00 0.00 0.00 23.12 19.48 2a18 s ALA 6 CO 0.53 -2.41 -0.22 0.54 0.00 0.00 0.00 175.76 174.20 2a18 s VAL 7 N -2.34 1.83 -0.05 0.00 0.11 -0.08 -2.17 120.40 117.69 2a18 s VAL 7 Ca 0.71 -0.93 0.04 0.00 -2.93 0.00 0.00 61.98 58.87 2a18 s VAL 7 Cb -0.26 -1.56 -0.02 0.00 -1.53 0.00 0.00 36.38 33.00 2a18 s VAL 7 CO 0.53 0.51 -0.17 -0.83 -3.33 0.00 0.00 175.10 171.81 2a18 s GLY 8 N 0.03 1.47 -0.04 6.54 0.00 0.05 -0.52 107.32 114.85 2a18 s GLY 8 Ca -0.07 -1.00 0.01 0.00 0.00 0.00 0.00 44.72 43.65 2a18 s GLY 8 CO 0.04 -0.75 -0.02 -0.45 0.00 0.00 0.00 173.10 171.93 2a18 s SER 9 N -0.59 0.64 -0.01 1.64 0.15 -0.46 -0.21 113.70 114.86 2a18 s SER 9 Ca 0.09 -0.06 0.02 0.00 0.70 0.00 0.00 55.95 56.69 2a18 s SER 9 Cb -0.11 -0.31 -0.00 0.00 -1.71 0.00 0.00 66.02 63.89 2a18 s SER 9 CO 0.01 -0.09 -0.06 -0.51 1.20 0.00 0.00 173.24 173.79 2a18 s ILE 10 N 1.00 0.47 -0.03 6.45 2.07 -0.59 -1.20 121.20 129.36 2a18 s ILE 10 Ca -0.10 -0.25 0.03 0.00 -1.41 0.00 0.00 60.65 58.92 2a18 s ILE 10 Cb -0.14 -0.40 0.00 0.00 0.13 0.00 0.00 42.46 42.06 2a18 s ILE 10 CO -0.01 0.13 -0.11 -0.70 -1.91 0.00 0.00 174.94 172.34 2a18 s GLU 11 N -0.12 1.23 0.21 3.50 2.12 0.11 -0.42 118.70 125.33 2a18 s GLU 11 Ca 0.02 -0.39 0.02 0.00 0.36 0.00 0.00 54.97 54.98 2a18 s GLU 11 Cb -0.02 -1.11 -0.05 0.00 0.26 0.00 0.00 34.13 33.21 2a18 s GLU 11 CO -0.00 0.14 0.04 -0.08 -0.54 0.00 0.00 175.26 174.81 2a18 s THR 12 N 0.20 0.63 -0.20 -1.70 -1.32 -0.69 -0.61 115.64 111.96 2a18 s THR 12 Ca -0.04 -1.99 -0.21 0.00 -1.21 0.00 0.00 61.69 58.24 2a18 s THR 12 Cb -0.10 -2.33 -0.02 0.00 -1.51 0.00 0.00 72.50 68.54 2a18 s THR 12 CO 0.01 -0.29 0.64 -0.51 -2.21 0.00 0.00 174.62 172.27 2a18 s ILE 13 N -3.70 5.01 0.00 5.08 2.07 -1.17 -1.40 121.20 127.10 2a18 s ILE 13 Ca 0.30 1.22 0.00 0.00 -1.41 0.00 0.00 60.65 60.75 2a18 s ILE 13 Cb 0.07 -3.96 0.00 0.00 0.13 0.00 0.00 42.46 38.70 2a18 s ILE 13 CO 0.08 0.10 0.00 0.61 -1.91 0.00 0.00 174.94 173.82 2a18 n GLY 14 N 3.77 0.77 0.22 1.50 0.00 0.25 -4.37 105.19 107.32 2a18 n GLY 14 Ca -0.01 -1.55 -0.14 0.00 0.00 0.00 0.00 46.02 44.32 2a18 n GLY 14 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2a18 h PHE 15 N 0.00 0.89 -0.97 1.61 3.57 -1.91 -3.26 116.94 116.87 2a18 h PHE 15 Ca 0.00 -0.30 0.17 0.00 3.53 0.00 0.00 57.97 61.37 2a18 h PHE 15 Cb 0.00 -0.18 -0.10 0.00 2.79 0.00 0.00 35.95 38.46 2a18 h PHE 15 CO 0.00 1.08 0.58 -1.35 -2.23 0.00 0.00 178.31 176.38 2a18 h PRO 16 N 0.46 0.75 -0.60 6.41 0.11 -1.98 -0.64 132.00 136.51 2a18 h PRO 16 Ca 0.03 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.07 2a18 h PRO 16 Cb 0.98 -0.17 -0.03 0.00 0.11 0.00 0.00 31.00 31.90 2a18 h PRO 16 CO 0.09 0.49 0.29 0.78 -0.21 0.00 0.00 178.00 179.45 2a18 h GLY 17 N 0.77 0.90 1.85 -0.55 0.00 -1.83 -0.56 103.07 103.66 2a18 h GLY 17 Ca 0.55 -0.42 -0.18 0.00 0.00 0.00 0.00 47.33 47.27 2a18 h GLY 17 CO -0.36 0.40 -0.83 1.19 0.00 0.00 0.00 176.54 176.94 2a18 h ILE 18 N 0.84 1.51 -0.32 2.60 6.09 -1.22 -1.66 117.51 125.35 2a18 h ILE 18 Ca 0.21 -2.60 -0.02 0.00 -1.37 0.00 0.00 64.86 61.08 2a18 h ILE 18 Cb 0.08 2.43 -0.01 0.00 0.47 0.00 0.00 36.82 39.79 2a18 h ILE 18 CO -0.03 0.75 0.12 0.25 -3.07 0.00 0.00 178.15 176.18 2a18 h LEU 19 N 0.08 0.45 -0.55 2.19 5.85 -0.85 -0.11 115.31 122.36 2a18 h LEU 19 Ca -0.03 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.50 2a18 h LEU 19 Cb 1.44 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 42.33 2a18 h LEU 19 CO 0.12 0.50 0.29 0.00 -0.34 0.00 0.00 178.44 179.01 2a18 h ALA 20 N 0.97 0.71 -0.27 1.25 0.00 -1.05 -2.30 119.26 118.57 2a18 h ALA 20 Ca 0.11 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2a18 h ALA 20 Cb 0.20 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2a18 h ALA 20 CO -0.01 0.24 0.13 0.00 0.00 0.00 0.00 179.25 179.61 2a18 h ALA 21 N 1.12 0.34 -0.26 0.00 0.00 -1.23 -2.44 119.26 116.79 2a18 h ALA 21 Ca 0.19 -0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.07 2a18 h ALA 21 Cb 0.08 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 17.69 2a18 h ALA 21 CO -0.03 -0.10 -0.22 0.00 0.00 0.00 0.00 179.25 178.91 2a18 h ALA 22 N 0.99 -0.07 -0.45 0.00 0.00 -0.79 -0.14 119.26 118.80 2a18 h ALA 22 Ca 0.09 0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.97 2a18 h ALA 22 Cb 0.12 0.47 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 2a18 h ALA 22 CO -0.01 -0.63 -0.18 0.22 0.00 0.00 0.00 179.25 178.65 2a18 h ASP 23 N -0.21 0.89 -0.34 0.00 3.58 -1.39 -2.64 116.42 116.30 2a18 h ASP 23 Ca 0.14 -0.31 -0.10 0.00 0.42 0.00 0.00 57.03 57.19 2a18 h ASP 23 Cb 0.43 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 41.23 2a18 h ASP 23 CO -0.39 1.05 -0.16 0.00 -2.88 0.00 0.00 179.24 176.86 2a18 h ALA 24 N 1.02 0.48 0.01 -0.78 0.00 -1.17 -2.95 119.26 115.88 2a18 h ALA 24 Ca 0.11 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 2a18 h ALA 24 Cb 0.71 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2a18 h ALA 24 CO 0.05 0.40 -0.00 0.52 0.00 0.00 0.00 179.25 180.22 2a18 h MET 25 N 0.50 -0.01 0.00 0.00 2.86 -0.91 -0.83 114.93 116.55 2a18 h MET 25 Ca 0.08 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.67 2a18 h MET 25 Cb 0.70 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.36 2a18 h MET 25 CO 0.05 0.08 -0.24 -0.24 1.06 0.00 0.00 176.91 177.62 2a18 h VAL 26 N -0.10 0.68 0.04 -2.22 3.04 -1.56 -2.23 116.25 113.89 2a18 h VAL 26 Ca -0.00 -1.08 -0.26 0.00 -1.01 0.00 0.00 66.70 64.36 2a18 h VAL 26 Cb 0.10 1.69 -0.03 0.00 -2.01 0.00 0.00 31.29 31.04 2a18 h VAL 26 CO 0.00 0.24 -1.30 0.11 -1.01 0.00 0.00 177.57 175.61 2a18 h LYS 27 N 0.00 0.08 0.11 4.17 1.57 -1.36 -3.38 116.57 117.75 2a18 h LYS 27 Ca -0.00 -0.13 -0.29 0.00 -1.87 0.00 0.00 60.65 58.36 2a18 h LYS 27 Cb 0.67 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.02 2a18 h LYS 27 CO 0.03 0.93 -1.43 0.00 -0.57 0.00 0.00 179.45 178.41 2a18 h ALA 28 N 0.85 0.26 -2.87 3.86 0.00 -0.98 -3.47 119.26 116.92 2a18 h ALA 28 Ca -0.13 -1.06 -0.49 0.00 0.00 0.00 0.00 54.91 53.23 2a18 h ALA 28 Cb 1.90 0.19 -0.18 0.00 0.00 0.00 0.00 17.79 19.70 2a18 h ALA 28 CO 0.13 1.13 -0.77 0.20 0.00 0.00 0.00 179.25 179.93 2a18 s GLY 29 N -4.87 1.32 -1.29 0.00 0.00 -0.85 -4.76 107.32 96.87 2a18 s GLY 29 Ca -0.07 -1.45 -0.18 0.00 0.00 0.00 0.00 44.72 43.02 2a18 s GLY 29 CO 0.86 -1.51 1.76 1.09 0.00 0.00 0.00 173.10 175.30 2a18 s ARG 30 N -2.82 3.83 0.35 2.90 1.70 -1.26 -4.57 118.95 119.07 2a18 s ARG 30 Ca 0.14 -1.91 0.07 0.00 -0.47 0.00 0.00 55.73 53.56 2a18 s ARG 30 Cb -0.05 -5.51 -0.07 0.00 -0.57 0.00 0.00 34.95 28.75 2a18 s ARG 30 CO 0.06 -2.44 -0.03 0.96 -1.08 0.00 0.00 175.30 172.76 2a18 s ILE 31 N 4.95 1.90 -0.13 4.99 -5.25 -1.26 -4.58 121.20 121.82 2a18 s ILE 31 Ca 0.56 -2.10 0.03 0.00 -0.99 0.00 0.00 60.65 58.15 2a18 s ILE 31 Cb 0.04 -2.74 0.01 0.00 2.95 0.00 0.00 42.46 42.71 2a18 s ILE 31 CO 0.09 -0.13 -0.22 -0.89 -1.79 0.00 0.00 174.94 172.00 2a18 s THR 32 N -2.82 2.01 -0.18 8.37 2.01 0.36 -4.87 115.64 120.53 2a18 s THR 32 Ca 0.33 -0.96 -0.29 0.00 0.31 0.00 0.00 61.69 61.08 2a18 s THR 32 Cb 0.06 -1.77 -0.01 0.00 0.01 0.00 0.00 72.50 70.79 2a18 s THR 32 CO 0.16 0.54 1.23 -0.63 -0.69 0.00 0.00 174.62 175.23 2a18 s ILE 33 N 0.70 4.33 -0.05 1.82 1.01 -1.26 -0.49 121.20 127.26 2a18 s ILE 33 Ca -0.10 1.61 0.21 0.00 0.00 0.00 0.00 60.65 62.37 2a18 s ILE 33 Cb -0.16 -4.05 -0.32 0.00 0.01 0.00 0.00 42.46 37.95 2a18 s ILE 33 CO 0.01 -0.15 0.41 1.33 0.00 0.00 0.00 174.94 176.54 2a18 n VAL 34 N 5.39 0.16 0.00 2.92 0.24 -0.46 -4.90 118.33 121.69 2a18 n VAL 34 Ca 0.14 -0.52 0.00 0.00 -2.04 0.00 0.00 64.34 61.91 2a18 n VAL 34 Cb 0.45 -0.04 0.00 0.00 -1.47 0.00 0.00 33.84 32.78 2a18 n VAL 34 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2a18 n GLY 35 N 1.37 -0.17 3.11 7.63 0.00 -1.21 -4.85 105.19 111.07 2a18 n GLY 35 Ca -0.07 -1.00 -0.09 0.00 0.00 0.00 0.00 46.02 44.86 2a18 n GLY 35 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2a18 s TYR 36 N -2.00 0.67 -0.05 1.61 -0.85 -1.26 -1.71 117.35 113.76 2a18 s TYR 36 Ca 0.00 -0.88 0.05 0.00 -0.52 0.00 0.00 57.07 55.71 2a18 s TYR 36 Cb 0.00 -0.42 -0.00 0.00 0.38 0.00 0.00 41.96 41.91 2a18 s TYR 36 CO 0.00 -0.23 -0.20 0.42 -1.52 0.00 0.00 175.55 174.02 2a18 s ILE 37 N -3.25 1.64 -0.69 -3.49 1.01 0.83 -4.95 121.20 112.30 2a18 s ILE 37 Ca 0.05 -0.83 -0.23 0.00 0.00 0.00 0.00 60.65 59.64 2a18 s ILE 37 Cb 0.03 -1.41 0.06 0.00 0.01 0.00 0.00 42.46 41.16 2a18 s ILE 37 CO -0.06 0.47 1.04 -0.60 0.00 0.00 0.00 174.94 175.79 2a18 s ARG 38 N 0.04 3.15 0.11 2.79 3.52 -1.26 -0.98 118.95 126.31 2a18 s ARG 38 Ca -0.05 -0.76 0.26 0.00 -0.13 0.00 0.00 55.73 55.05 2a18 s ARG 38 Cb -0.13 -4.26 0.65 0.00 -1.56 0.00 0.00 34.95 29.65 2a18 s ARG 38 CO 0.03 -1.89 1.57 0.00 -0.81 0.00 0.00 175.30 174.20 2a18 n ALA 39 N 8.01 2.74 0.00 6.12 0.00 -0.27 -5.02 120.51 132.08 2a18 n ALA 39 Ca -0.01 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.25 2a18 n ALA 39 Cb 0.46 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.61 2a18 n ALA 39 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2a18 n GLY 40 N 1.38 1.02 2.85 0.00 0.00 -1.23 -4.91 105.19 104.30 2a18 n GLY 40 Ca 0.05 -1.75 -0.22 0.00 0.00 0.00 0.00 46.02 44.10 2a18 n GLY 40 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2a18 n SER 41 N -0.46 -5.77 -0.74 1.61 7.64 -1.26 -2.13 113.62 112.51 2a18 n SER 41 Ca 0.00 -0.20 -0.10 0.00 1.01 0.00 0.00 58.87 59.59 2a18 n SER 41 Cb 0.00 -4.71 -0.04 0.00 -1.01 0.00 0.00 64.21 58.44 2a18 n SER 41 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2a18 n ALA 42 N -3.07 -0.15 -2.51 -0.43 0.00 -1.26 -4.88 120.51 108.21 2a18 n ALA 42 Ca -0.14 0.16 -0.37 0.00 0.00 0.00 0.00 53.44 53.08 2a18 n ALA 42 Cb 0.63 -1.52 -0.06 0.00 0.00 0.00 0.00 19.45 18.50 2a18 n ALA 42 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2a18 s ARG 43 N -2.65 3.89 -0.02 0.00 0.52 -0.90 0.85 118.95 120.63 2a18 s ARG 43 Ca 0.00 0.37 0.04 0.00 -0.52 0.00 0.00 55.73 55.61 2a18 s ARG 43 Cb 0.00 -3.17 -0.00 0.00 0.52 0.00 0.00 34.95 32.30 2a18 s ARG 43 CO 0.00 0.66 -0.13 -0.06 0.02 0.00 0.00 175.30 175.79 2a18 s PHE 44 N -1.15 1.27 -0.08 -0.53 0.08 -0.49 -1.12 117.98 115.96 2a18 s PHE 44 Ca 0.26 -0.30 -0.00 0.00 0.12 0.00 0.00 56.93 57.00 2a18 s PHE 44 Cb -0.16 -0.85 -0.03 0.00 -0.57 0.00 0.00 43.02 41.41 2a18 s PHE 44 CO 0.14 -0.09 -0.04 0.99 -0.10 0.00 0.00 175.22 176.12 2a18 s THR 45 N -0.05 3.91 -0.08 0.64 2.01 -0.15 -1.70 115.64 120.22 2a18 s THR 45 Ca -0.00 -0.39 0.04 0.00 0.31 0.00 0.00 61.69 61.65 2a18 s THR 45 Cb -0.08 -2.62 -0.01 0.00 0.01 0.00 0.00 72.50 69.79 2a18 s THR 45 CO 0.01 0.59 -0.21 -0.22 -0.69 0.00 0.00 174.62 174.10 2a18 s LEU 46 N -0.72 2.29 -0.11 4.42 2.96 0.44 -0.12 118.68 127.84 2a18 s LEU 46 Ca 0.11 -0.44 0.02 0.00 -0.22 0.00 0.00 54.13 53.60 2a18 s LEU 46 Cb -0.11 -1.45 -0.01 0.00 0.50 0.00 0.00 46.19 45.12 2a18 s LEU 46 CO 0.02 0.22 -0.19 0.20 -1.32 0.00 0.00 176.35 175.29 2a18 s ASN 47 N -0.03 3.55 0.14 3.68 0.02 -0.69 -1.54 114.94 120.07 2a18 s ASN 47 Ca -0.06 -0.43 0.07 0.00 -1.02 0.00 0.00 52.86 51.41 2a18 s ASN 47 Cb -0.15 -1.42 -0.04 0.00 0.02 0.00 0.00 41.25 39.67 2a18 s ASN 47 CO 0.05 0.18 -0.15 0.27 0.02 0.00 0.00 177.10 177.47 2a18 s ILE 48 N 0.24 1.48 0.11 0.60 -4.36 0.71 -1.35 121.20 118.63 2a18 s ILE 48 Ca -0.12 -1.85 0.05 0.00 -0.26 0.00 0.00 60.65 58.47 2a18 s ILE 48 Cb -0.16 -1.69 -0.04 0.00 1.25 0.00 0.00 42.46 41.82 2a18 s ILE 48 CO 0.07 -0.44 -0.13 -0.13 0.24 0.00 0.00 174.94 174.55 2a18 s ARG 49 N -2.89 0.96 0.00 0.37 1.81 0.35 -0.77 118.95 118.78 2a18 s ARG 49 Ca 0.13 -1.19 0.00 0.00 -1.72 0.00 0.00 55.73 52.94 2a18 s ARG 49 Cb -0.04 -0.80 0.00 0.00 -0.45 0.00 0.00 34.95 33.66 2a18 s ARG 49 CO 0.04 0.15 0.00 0.41 -0.68 0.00 0.00 175.30 175.22 2a18 n GLY 50 N 0.61 -2.22 3.72 -3.53 0.00 -0.92 -0.48 105.19 102.36 2a18 n GLY 50 Ca -0.16 -1.36 -0.40 0.00 0.00 0.00 0.00 46.02 44.10 2a18 n GLY 50 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2a18 n ASP 51 N 3.00 2.69 -0.32 1.61 2.03 -1.26 -0.38 116.55 123.92 2a18 n ASP 51 Ca 0.00 1.06 0.10 0.00 0.52 0.00 0.00 54.79 56.48 2a18 n ASP 51 Cb 0.00 -1.54 0.28 0.00 -0.72 0.00 0.00 41.12 39.14 2a18 n ASP 51 CO 0.00 0.00 0.00 1.62 -1.92 0.00 0.00 177.20 176.90 2a18 h VAL 52 N 1.90 0.69 -0.10 5.18 3.04 -1.92 0.20 116.25 125.24 2a18 h VAL 52 Ca -0.49 -0.23 -0.17 0.00 -1.01 0.00 0.00 66.70 64.80 2a18 h VAL 52 Cb 1.29 -0.03 -0.01 0.00 -2.01 0.00 0.00 31.29 30.54 2a18 h VAL 52 CO 0.59 0.12 -0.64 1.56 -1.01 0.00 0.00 177.57 178.19 2a18 h GLN 53 N 0.66 0.39 -0.37 4.17 1.08 -1.99 -1.67 115.11 117.38 2a18 h GLN 53 Ca 0.52 -0.28 -0.16 0.00 -1.45 0.00 0.00 58.65 57.28 2a18 h GLN 53 Cb 0.80 0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 28.27 2a18 h GLN 53 CO -0.39 0.90 -0.40 0.93 -0.95 0.00 0.00 178.83 178.92 2a18 h GLU 54 N 0.28 0.92 -0.68 1.46 4.39 -1.59 -1.98 114.58 117.39 2a18 h GLU 54 Ca -0.01 -0.49 -0.05 0.00 0.34 0.00 0.00 59.36 59.15 2a18 h GLU 54 Cb 1.18 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.82 2a18 h GLU 54 CO 0.11 1.15 0.24 0.28 -1.16 0.00 0.00 179.01 179.62 2a18 h VAL 55 N 0.75 1.24 -0.34 3.13 2.07 -0.95 -0.88 116.25 121.27 2a18 h VAL 55 Ca 0.06 -0.80 -0.02 0.00 0.82 0.00 0.00 66.70 66.75 2a18 h VAL 55 Cb 1.00 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 2a18 h VAL 55 CO 0.10 0.32 0.12 0.11 0.02 0.00 0.00 177.57 178.24 2a18 h LYS 56 N 0.99 0.52 -0.37 1.57 1.57 -1.17 0.80 116.57 120.48 2a18 h LYS 56 Ca 0.22 -0.10 -0.01 0.00 -1.87 0.00 0.00 60.65 58.89 2a18 h LYS 56 Cb 0.24 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 2a18 h LYS 56 CO -0.01 0.53 0.18 1.15 -0.57 0.00 0.00 179.45 180.72 2a18 h THR 57 N 0.40 1.16 -0.60 -0.16 2.02 -1.21 -2.45 112.91 112.06 2a18 h THR 57 Ca 0.11 -0.46 -0.02 0.00 0.77 0.00 0.00 66.41 66.82 2a18 h THR 57 Cb 0.21 0.79 -0.03 0.00 -1.74 0.00 0.00 68.15 67.38 2a18 h THR 57 CO -0.01 0.17 0.32 0.00 0.37 0.00 0.00 175.52 176.37 2a18 h ALA 58 N 1.04 0.78 -0.69 6.16 0.00 -1.04 -2.58 119.26 122.92 2a18 h ALA 58 Ca 0.13 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 2a18 h ALA 58 Cb 0.11 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 2a18 h ALA 58 CO -0.02 0.31 0.43 1.98 0.00 0.00 0.00 179.25 181.95 2a18 h MET 59 N 0.82 0.93 -0.66 0.00 -1.53 -0.68 0.14 114.93 113.96 2a18 h MET 59 Ca 0.21 -0.08 -0.01 0.00 -3.44 0.00 0.00 59.70 56.38 2a18 h MET 59 Cb 0.07 -0.20 -0.03 0.00 -0.55 0.00 0.00 31.60 30.89 2a18 h MET 59 CO -0.03 0.65 0.37 0.00 0.14 0.00 0.00 176.91 178.05 2a18 h ALA 60 N 1.22 0.84 -0.31 0.39 0.00 -1.33 -0.62 119.26 119.45 2a18 h ALA 60 Ca 0.25 -0.10 -0.13 0.00 0.00 0.00 0.00 54.91 54.93 2a18 h ALA 60 Cb -0.05 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 2a18 h ALA 60 CO -0.05 0.34 -0.33 0.00 0.00 0.00 0.00 179.25 179.21 2a18 h ALA 61 N 1.19 0.84 0.23 0.00 0.00 -1.05 -1.99 119.26 118.47 2a18 h ALA 61 Ca 0.23 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 2a18 h ALA 61 Cb 0.02 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.68 2a18 h ALA 61 CO -0.04 0.64 -0.11 0.78 0.00 0.00 0.00 179.25 180.52 2a18 h GLY 62 N 0.99 -0.32 0.41 0.00 0.00 -0.47 -0.12 103.07 103.55 2a18 h GLY 62 Ca 0.06 0.12 0.10 0.00 0.00 0.00 0.00 47.33 47.61 2a18 h GLY 62 CO 0.07 -0.12 0.31 -2.22 0.00 0.00 0.00 176.54 174.59 2a18 h ILE 63 N -0.39 0.80 -0.45 2.60 2.04 -1.11 -0.89 117.51 120.12 2a18 h ILE 63 Ca -0.03 -0.18 -0.01 0.00 1.00 0.00 0.00 64.86 65.64 2a18 h ILE 63 Cb 0.30 0.23 -0.02 0.00 -0.74 0.00 0.00 36.82 36.58 2a18 h ILE 63 CO 0.05 0.10 0.25 -0.78 0.00 0.00 0.00 178.15 177.76 2a18 h ASP 64 N 0.53 0.56 -0.74 1.72 1.82 -1.23 -0.91 116.42 118.18 2a18 h ASP 64 Ca 0.35 -0.09 -0.01 0.00 -0.39 0.00 0.00 57.03 56.88 2a18 h ASP 64 Cb 0.40 -0.14 -0.04 0.00 0.68 0.00 0.00 39.33 40.23 2a18 h ASP 64 CO -0.29 0.49 0.42 0.00 -1.61 0.00 0.00 179.24 178.25 2a18 h ALA 65 N 1.09 0.95 -0.44 -0.78 0.00 -0.50 -1.97 119.26 117.62 2a18 h ALA 65 Ca 0.16 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 2a18 h ALA 65 Cb 0.06 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 2a18 h ALA 65 CO -0.03 0.45 0.09 0.82 0.00 0.00 0.00 179.25 180.58 2a18 h ILE 66 N 1.02 1.24 -0.88 0.00 2.04 -0.93 -1.89 117.51 118.11 2a18 h ILE 66 Ca 0.26 -0.85 0.04 0.00 1.00 0.00 0.00 64.86 65.32 2a18 h ILE 66 Cb 0.01 0.94 -0.05 0.00 -0.74 0.00 0.00 36.82 36.98 2a18 h ILE 66 CO -0.05 0.30 0.58 0.78 0.00 0.00 0.00 178.15 179.76 2a18 h ASN 67 N 0.58 0.92 1.52 1.72 2.35 -1.01 -2.24 115.58 119.42 2a18 h ASN 67 Ca 0.14 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.88 2a18 h ASN 67 Cb 0.35 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.51 2a18 h ASN 67 CO 0.00 0.62 0.00 0.03 -1.65 0.00 0.00 177.43 176.43 2a18 h ARG 68 N 1.06 0.00 -6.24 0.81 3.08 -1.15 -3.45 114.38 108.49 2a18 h ARG 68 Ca 0.36 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.85 2a18 h ARG 68 Cb 0.08 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.09 2a18 h ARG 68 CO -0.12 0.00 0.52 0.99 -1.07 0.00 0.00 179.97 180.30 2a18 s THR 69 N -3.31 4.81 0.09 2.04 2.01 -0.73 -4.99 115.64 115.56 2a18 s THR 69 Ca 0.06 2.00 -0.33 0.00 0.31 0.00 0.00 61.69 63.73 2a18 s THR 69 Cb 0.08 -4.29 -0.12 0.00 0.01 0.00 0.00 72.50 68.18 2a18 s THR 69 CO 0.59 0.03 1.77 1.21 -0.69 0.00 0.00 174.62 177.53 2a18 n GLU 70 N 4.89 2.48 -0.96 4.92 4.07 -1.26 -2.28 120.64 132.50 2a18 n GLU 70 Ca 0.08 0.90 0.00 0.00 -0.06 0.00 0.00 57.16 58.08 2a18 n GLU 70 Cb 0.49 -2.75 0.00 0.00 -0.06 0.00 0.00 31.44 29.12 2a18 n GLU 70 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2a18 n GLY 71 N 4.03 0.68 3.67 8.31 0.00 -1.26 -4.94 105.19 115.67 2a18 n GLY 71 Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 2a18 n GLY 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a18 s ALA 72 N -2.83 3.23 -0.03 4.61 0.00 -0.96 -4.90 121.76 120.88 2a18 s ALA 72 Ca 0.00 -0.89 -0.03 0.00 0.00 0.00 0.00 51.96 51.04 2a18 s ALA 72 Cb 0.00 -1.37 0.01 0.00 0.00 0.00 0.00 23.12 21.76 2a18 s ALA 72 CO 0.00 0.62 0.09 -0.51 0.00 0.00 0.00 175.76 175.95 2a18 s ASP 73 N -1.21 -0.09 -0.10 0.00 1.01 -1.26 -4.60 116.67 110.42 2a18 s ASP 73 Ca 0.16 0.18 -0.30 0.00 0.71 0.00 0.00 52.55 53.31 2a18 s ASP 73 Cb -0.11 0.17 -0.03 0.00 1.01 0.00 0.00 42.92 43.95 2a18 s ASP 73 CO 0.06 -0.04 1.40 -0.69 0.21 0.00 0.00 175.17 176.11 2a18 s VAL 74 N 0.13 3.97 -0.14 -1.27 1.01 -1.26 -3.03 120.40 119.81 2a18 s VAL 74 Ca -0.01 1.22 -0.02 0.00 0.00 0.00 0.00 61.98 63.17 2a18 s VAL 74 Cb -0.02 -3.78 -0.24 0.00 0.00 0.00 0.00 36.38 32.34 2a18 s VAL 74 CO -0.00 -0.08 0.29 0.29 0.00 0.00 0.00 175.10 175.59 2a18 n LYS 75 N 6.49 0.72 -3.58 2.72 4.76 0.22 -5.00 118.16 124.50 2a18 n LYS 75 Ca 0.15 0.24 -0.12 0.00 -2.87 0.00 0.00 58.31 55.70 2a18 n LYS 75 Cb 0.44 -1.68 -0.06 0.00 -1.84 0.00 0.00 35.03 31.89 2a18 n LYS 75 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 2a18 s THR 76 N -2.55 0.00 0.09 -0.18 -1.32 -1.16 -5.03 115.64 105.49 2a18 s THR 76 Ca -0.22 0.00 -0.21 0.00 -1.21 0.00 0.00 61.69 60.05 2a18 s THR 76 Cb 0.07 -1.00 0.05 0.00 -1.51 0.00 0.00 72.50 70.11 2a18 s THR 76 CO 0.75 0.00 0.51 -1.66 -2.21 0.00 0.00 174.62 172.01 2a18 s TRP 77 N -0.73 -0.40 0.07 9.09 1.48 -1.26 -0.71 118.94 126.48 2a18 s TRP 77 Ca -0.03 0.31 -0.19 0.00 -1.06 0.00 0.00 56.10 55.13 2a18 s TRP 77 Cb -0.02 0.38 0.04 0.00 -1.16 0.00 0.00 33.47 32.71 2a18 s TRP 77 CO 0.02 -0.71 0.46 0.54 -4.06 0.00 0.00 176.95 173.20 2a18 s VAL 78 N -3.07 0.05 -0.10 -0.66 0.11 -0.34 -5.01 120.40 111.37 2a18 s VAL 78 Ca -0.02 -0.38 0.01 0.00 -2.93 0.00 0.00 61.98 58.66 2a18 s VAL 78 Cb -0.00 -1.02 0.02 0.00 -1.53 0.00 0.00 36.38 33.85 2a18 s VAL 78 CO -0.07 -0.21 -0.13 -0.63 -3.33 0.00 0.00 175.10 170.73 2a18 s ILE 79 N -2.89 1.31 -0.32 7.04 1.01 -1.26 -1.35 121.20 124.75 2a18 s ILE 79 Ca -0.03 -0.53 -0.04 0.00 0.00 0.00 0.00 60.65 60.05 2a18 s ILE 79 Cb -0.00 -1.23 0.04 0.00 0.01 0.00 0.00 42.46 41.28 2a18 s ILE 79 CO -0.05 0.41 0.05 -0.63 0.00 0.00 0.00 174.94 174.71 2a18 s ILE 80 N 1.10 3.43 0.16 2.92 -1.09 0.32 -4.99 121.20 123.05 2a18 s ILE 80 Ca -0.05 -1.19 -0.15 0.00 -2.23 0.00 0.00 60.65 57.02 2a18 s ILE 80 Cb -0.14 -2.93 0.04 0.00 -1.58 0.00 0.00 42.46 37.85 2a18 s ILE 80 CO -0.02 -0.11 1.77 -0.65 -1.23 0.00 0.00 174.94 174.70 2a18 h PRO 81 N 8.12 0.39 -2.40 2.79 0.11 -1.94 -0.19 132.00 138.88 2a18 h PRO 81 Ca -0.23 -0.02 -0.59 0.00 0.11 0.00 0.00 66.00 65.26 2a18 h PRO 81 Cb 1.08 -0.09 -0.38 0.00 0.11 0.00 0.00 31.00 31.72 2a18 h PRO 81 CO 0.57 0.26 -0.95 0.54 -0.21 0.00 0.00 178.00 178.21 2a18 n ARG 82 N -4.94 0.36 -2.03 1.05 1.74 -1.26 -2.90 116.66 108.68 2a18 n ARG 82 Ca 0.02 -3.29 -0.42 0.00 -0.77 0.00 0.00 57.85 53.40 2a18 n ARG 82 Cb 0.11 -1.70 -0.03 0.00 -1.02 0.00 0.00 32.46 29.83 2a18 n ARG 82 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2a18 s PRO 83 N -0.15 4.27 0.61 5.56 0.04 -1.26 -4.97 135.00 139.11 2a18 s PRO 83 Ca 0.32 2.26 -0.19 0.00 0.04 0.00 0.00 61.00 63.43 2a18 s PRO 83 Cb 0.04 -3.15 -0.03 0.00 0.04 0.00 0.00 34.50 31.40 2a18 s PRO 83 CO -0.19 -0.46 1.24 1.58 0.04 0.00 0.00 177.00 179.20 2a18 n HIS 84 N 3.12 1.78 -0.15 0.56 -0.00 -1.26 -4.82 115.22 114.45 2a18 n HIS 84 Ca 0.10 0.43 0.02 0.00 0.46 0.00 0.00 57.72 58.73 2a18 n HIS 84 Cb 0.40 -2.26 0.31 0.00 -0.12 0.00 0.00 29.99 28.32 2a18 n HIS 84 CO 0.00 0.00 0.00 0.93 0.46 0.00 0.00 176.34 177.73 2a18 h GLU 85 N 0.76 0.82 -0.51 1.57 5.08 -1.99 -1.87 114.58 118.45 2a18 h GLU 85 Ca -0.50 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 57.79 2a18 h GLU 85 Cb 1.34 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 30.38 2a18 h GLU 85 CO 0.54 0.54 0.24 -0.97 -1.00 0.00 0.00 179.01 178.36 2a18 h ASN 86 N 0.85 0.63 -0.06 1.42 -0.00 -1.99 -0.53 115.58 115.90 2a18 h ASN 86 Ca 0.25 -0.06 -0.03 0.00 -0.00 0.00 0.00 56.30 56.46 2a18 h ASN 86 Cb -0.04 -0.16 -0.00 0.00 -0.00 0.00 0.00 38.32 38.12 2a18 h ASN 86 CO -0.06 0.54 -0.09 0.58 -0.00 0.00 0.00 177.43 178.40 2a18 h VAL 87 N 0.71 1.41 -0.71 2.57 2.07 -1.73 -2.52 116.25 118.04 2a18 h VAL 87 Ca 0.18 -1.37 0.08 0.00 0.82 0.00 0.00 66.70 66.41 2a18 h VAL 87 Cb 0.08 2.19 -0.05 0.00 -1.52 0.00 0.00 31.29 31.99 2a18 h VAL 87 CO -0.02 0.38 0.47 0.58 0.02 0.00 0.00 177.57 178.99 2a18 h VAL 88 N -0.33 0.96 -0.01 2.57 2.07 -1.15 -0.98 116.25 119.38 2a18 h VAL 88 Ca 0.00 -0.22 -0.13 0.00 0.82 0.00 0.00 66.70 67.17 2a18 h VAL 88 Cb 0.65 0.25 0.01 0.00 -1.52 0.00 0.00 31.29 30.69 2a18 h VAL 88 CO 0.02 0.12 -0.51 0.00 0.02 0.00 0.00 177.57 177.22 2a18 h ALA 89 N 1.63 0.08 0.09 1.67 0.00 -1.09 -3.36 119.26 118.27 2a18 h ALA 89 Ca 0.32 -0.54 -0.14 0.00 0.00 0.00 0.00 54.91 54.55 2a18 h ALA 89 Cb 0.40 0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.23 2a18 h ALA 89 CO -0.11 0.29 -0.60 0.28 0.00 0.00 0.00 179.25 179.11 2a18 h VAL 90 N -0.16 1.56 -3.55 0.00 2.07 -1.29 -3.46 116.25 111.42 2a18 h VAL 90 Ca -0.06 -2.42 -0.52 0.00 0.82 0.00 0.00 66.70 64.52 2a18 h VAL 90 Cb 1.23 3.15 -0.03 0.00 -1.52 0.00 0.00 31.29 34.12 2a18 h VAL 90 CO 0.10 0.67 -0.03 -0.76 0.02 0.00 0.00 177.57 177.57 2a18 s LEU 91 N -8.04 4.12 -1.50 2.57 1.43 -0.39 -4.96 118.68 111.92 2a18 s LEU 91 Ca -0.15 1.05 -0.10 0.00 -1.03 0.00 0.00 54.13 53.91 2a18 s LEU 91 Cb 0.00 -3.83 -0.08 0.00 0.03 0.00 0.00 46.19 42.31 2a18 s LEU 91 CO 0.80 -0.13 2.79 -0.81 0.23 0.00 0.00 176.35 179.23 2a18 n PRO 92 N -0.25 3.39 -0.01 1.29 -0.04 -1.26 -4.22 135.00 133.90 2a18 n PRO 92 Ca 0.02 -2.10 0.01 0.00 -0.04 0.00 0.00 63.50 61.39 2a18 n PRO 92 Cb 0.53 -2.77 0.01 0.00 -0.04 0.00 0.00 33.50 31.23 2a18 n PRO 92 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 2a18 n ILE 93 N 3.77 0.27 -2.18 0.52 -5.35 -1.26 -4.69 119.36 110.44 2a18 n ILE 93 Ca 0.72 -0.64 -0.30 0.00 -0.27 0.00 0.00 62.75 62.26 2a18 n ILE 93 Cb 0.22 0.89 0.00 0.00 -1.74 0.00 0.00 39.64 39.02 2a18 n ILE 93 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 2a18 s ASP 94 N -0.39 6.27 0.49 7.28 2.15 -1.26 -4.91 116.67 126.31 2a18 s ASP 94 Ca 0.03 1.26 -0.22 0.00 0.43 0.00 0.00 52.55 54.05 2a18 s ASP 94 Cb 0.02 -2.40 -0.07 0.00 -0.30 0.00 0.00 42.92 40.17 2a18 s ASP 94 CO 0.03 -0.74 1.14 -0.36 -0.17 0.00 0.00 175.17 175.06 2a18 s PHE 95 N -2.98 2.84 0.24 -5.34 0.08 -1.26 -4.89 117.98 106.66 2a18 s PHE 95 Ca 0.53 1.55 0.06 0.00 0.12 0.00 0.00 56.93 59.19 2a18 s PHE 95 Cb -0.11 -3.31 -0.05 0.00 -0.57 0.00 0.00 43.02 38.98 2a18 s PHE 95 CO 0.49 -1.42 -0.08 -1.54 -0.10 0.00 0.00 175.22 172.57 2a18 s SER 96 N -1.56 2.45 0.57 1.36 1.04 -1.26 -5.05 113.70 111.25 2a18 s SER 96 Ca 0.67 -1.13 0.26 0.00 0.48 0.00 0.00 55.95 56.23 2a18 s SER 96 Cb -0.26 -0.11 1.65 0.00 0.10 0.00 0.00 66.02 67.40 2a18 s SER 96 CO 0.30 -0.32 2.20 -0.65 0.98 0.00 0.00 173.24 175.75 2a18 h PRO 97 N 2.44 0.00 -0.68 4.02 0.11 -2.00 -2.17 132.00 133.72 2a18 h PRO 97 Ca -0.39 0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.75 2a18 h PRO 97 Cb 1.22 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.30 2a18 h PRO 97 CO 0.65 0.00 0.45 0.93 -0.21 0.00 0.00 178.00 179.82 2a18 h GLU 98 N 0.00 0.84 -0.61 1.05 5.08 -2.01 -2.72 114.58 116.21 2a18 h GLU 98 Ca 0.02 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2a18 h GLU 98 Cb 0.09 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.16 2a18 h GLU 98 CO -0.00 0.55 0.00 1.33 -1.00 0.00 0.00 179.01 179.89 2a18 n VAL 99 N -4.45 1.10 -0.22 3.13 0.24 -0.83 -4.59 118.33 112.71 2a18 n VAL 99 Ca 0.08 -1.03 -0.07 0.00 -2.04 0.00 0.00 64.34 61.28 2a18 n VAL 99 Cb 0.09 0.45 0.03 0.00 -1.47 0.00 0.00 33.84 32.95 2a18 n VAL 99 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 2a18 h GLU 100 N 3.57 0.89 0.00 7.34 4.57 -1.27 -1.53 114.58 128.15 2a18 h GLU 100 Ca 0.00 -0.13 -0.02 0.00 -1.18 0.00 0.00 59.36 58.03 2a18 h GLU 100 Cb 0.97 -0.16 -0.00 0.00 -0.16 0.00 0.00 28.75 29.39 2a18 h GLU 100 CO 0.02 0.72 -0.07 -1.00 -1.18 0.00 0.00 179.01 177.50 2a18 h PRO 101 N 0.85 0.00 0.00 0.92 0.13 -1.81 -1.85 132.00 130.24 2a18 h PRO 101 Ca 0.21 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 65.20 2a18 h PRO 101 Cb 0.12 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.23 2a18 h PRO 101 CO -0.03 0.07 -0.91 0.74 -0.23 0.00 0.00 178.00 177.65 2a18 h PHE 102 N 0.00 0.00 -0.18 1.56 0.04 -1.77 -2.83 116.94 113.76 2a18 h PHE 102 Ca -0.00 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.70 2a18 h PHE 102 Cb 0.16 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.31 2a18 h PHE 102 CO 0.00 0.62 -0.16 -0.09 -0.60 0.00 0.00 178.31 178.08 2a18 h ARG 103 N 0.00 0.42 -0.59 1.51 2.43 -0.78 -2.20 114.38 115.17 2a18 h ARG 103 Ca -0.07 -0.21 -0.06 0.00 -0.81 0.00 0.00 59.98 58.83 2a18 h ARG 103 Cb 1.53 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 31.06 2a18 h ARG 103 CO 0.07 0.77 0.14 0.93 -1.51 0.00 0.00 179.97 180.37 2a18 h GLU 104 N 0.08 0.91 -0.03 0.20 5.08 -1.43 -2.51 114.58 116.89 2a18 h GLU 104 Ca 0.03 -0.20 -0.13 0.00 -1.00 0.00 0.00 59.36 58.07 2a18 h GLU 104 Cb 0.68 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.79 2a18 h GLU 104 CO 0.04 0.82 -0.57 0.00 -1.00 0.00 0.00 179.01 178.30 2a18 h ALA 105 N 1.27 0.99 -0.01 3.43 0.00 -1.53 -3.17 119.26 120.25 2a18 h ALA 105 Ca 0.19 -0.52 -0.15 0.00 0.00 0.00 0.00 54.91 54.43 2a18 h ALA 105 Cb 0.32 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 2a18 h ALA 105 CO -0.00 0.71 -0.70 0.00 0.00 0.00 0.00 179.25 179.27 2a18 h ALA 106 N 1.35 0.84 -0.02 0.00 0.00 -1.07 -3.51 119.26 116.85 2a18 h ALA 106 Ca -0.00 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 54.28 2a18 h ALA 106 Cb 1.03 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.71 2a18 h ALA 106 CO 0.08 0.86 0.00 0.39 0.00 0.00 0.00 179.25 180.58