#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3db0 h LEU 5 N 0.00 0.60 -0.56 -1.84 5.85 -2.05 0.65 115.31 117.96 3db0 h LEU 5 Ca 0.00 -0.19 -0.02 0.00 0.84 0.00 0.00 57.88 58.51 3db0 h LEU 5 Cb 0.00 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 40.85 3db0 h LEU 5 CO 0.00 0.63 0.29 -0.33 -0.34 0.00 0.00 178.44 178.69 3db0 h GLU 6 N 0.54 0.79 -0.91 1.25 4.39 -2.03 -0.31 114.58 118.30 3db0 h GLU 6 Ca 0.14 -0.10 0.06 0.00 0.34 0.00 0.00 59.36 59.80 3db0 h GLU 6 Cb 0.23 -0.15 -0.06 0.00 -0.10 0.00 0.00 28.75 28.68 3db0 h GLU 6 CO -0.01 0.62 0.59 -0.44 -1.16 0.00 0.00 179.01 178.62 3db0 h ASP 7 N 0.75 0.92 0.10 1.42 3.32 -1.86 0.41 116.42 121.47 3db0 h ASP 7 Ca 0.19 0.01 -0.19 0.00 0.02 0.00 0.00 57.03 57.06 3db0 h ASP 7 Cb 0.08 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.44 3db0 h ASP 7 CO -0.03 0.59 -0.68 0.11 -1.72 0.00 0.00 179.24 177.51 3db0 h LYS 8 N 1.04 0.54 -0.21 3.56 6.56 -0.08 -1.81 116.57 126.17 3db0 h LYS 8 Ca 0.39 -0.41 -0.01 0.00 -1.06 0.00 0.00 60.65 59.56 3db0 h LYS 8 Cb 0.19 0.07 -0.01 0.00 -0.57 0.00 0.00 32.23 31.91 3db0 h LYS 8 CO -0.15 1.03 0.09 0.82 -2.06 0.00 0.00 179.45 179.18 3db0 h ILE 9 N 0.38 1.16 -0.52 1.86 2.04 0.08 -2.50 117.51 120.01 3db0 h ILE 9 Ca -0.02 -0.48 -0.05 0.00 1.00 0.00 0.00 64.86 65.31 3db0 h ILE 9 Cb 1.26 1.08 -0.02 0.00 -0.74 0.00 0.00 36.82 38.40 3db0 h ILE 9 CO 0.13 0.16 0.12 -0.07 0.00 0.00 0.00 178.15 178.49 3db0 h LEU 10 N 0.20 0.73 -0.71 1.44 3.38 -0.10 -1.69 115.31 118.56 3db0 h LEU 10 Ca 0.07 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 3db0 h LEU 10 Cb 0.17 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 3db0 h LEU 10 CO -0.01 0.72 0.37 0.00 0.09 0.00 0.00 178.44 179.61 3db0 h ALA 11 N 1.38 0.92 -0.45 1.53 0.00 -1.14 0.43 119.26 121.92 3db0 h ALA 11 Ca 0.17 -0.13 -0.13 0.00 0.00 0.00 0.00 54.91 54.82 3db0 h ALA 11 Cb 0.28 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3db0 h ALA 11 CO -0.00 0.46 -0.21 0.82 0.00 0.00 0.00 179.25 180.31 3db0 h ILE 12 N 0.99 1.27 -0.17 0.00 2.04 -0.95 -2.24 117.51 118.45 3db0 h ILE 12 Ca 0.25 -1.37 -0.08 0.00 1.00 0.00 0.00 64.86 64.66 3db0 h ILE 12 Cb 0.08 1.20 -0.01 0.00 -0.74 0.00 0.00 36.82 37.34 3db0 h ILE 12 CO -0.04 0.47 -0.26 -0.07 0.00 0.00 0.00 178.15 178.25 3db0 h LEU 13 N 0.77 0.32 -0.86 1.44 3.38 -0.77 -2.33 115.31 117.26 3db0 h LEU 13 Ca 0.10 -0.10 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 3db0 h LEU 13 Cb 0.79 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 3db0 h LEU 13 CO 0.06 0.59 -0.47 -0.33 0.09 0.00 0.00 178.44 178.38 3db0 h GLU 14 N 0.29 0.00 -0.02 1.13 5.08 0.28 -3.13 114.58 118.20 3db0 h GLU 14 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 3db0 h GLU 14 Cb 0.62 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.87 3db0 h GLU 14 CO 0.04 0.47 -0.22 1.04 -1.00 0.00 0.00 179.01 179.34 3db0 n GLN 15 N -3.64 1.57 -3.94 2.33 6.02 -0.88 -4.89 117.38 113.94 3db0 n GLN 15 Ca -0.01 -1.20 -0.16 0.00 -0.01 0.00 0.00 57.00 55.62 3db0 n GLN 15 Cb 0.55 -1.48 -0.16 0.00 1.02 0.00 0.00 30.24 30.18 3db0 n GLN 15 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 3db0 s HIS 16 N -2.26 0.29 -0.21 1.08 3.76 -0.90 -5.00 115.29 112.05 3db0 s HIS 16 Ca 0.25 -0.01 0.02 0.00 -0.15 0.00 0.00 55.06 55.18 3db0 s HIS 16 Cb 0.19 -0.36 -0.00 0.00 1.11 0.00 0.00 32.58 33.52 3db0 s HIS 16 CO 0.44 -0.10 0.34 1.04 -0.85 0.00 0.00 174.74 175.61 3db0 n GLN 17 N 3.92 2.77 -4.68 1.40 6.02 -1.26 -4.75 117.38 120.79 3db0 n GLN 17 Ca -0.24 -0.33 -0.33 0.00 -0.01 0.00 0.00 57.00 56.08 3db0 n GLN 17 Cb 0.52 -0.83 -0.13 0.00 1.02 0.00 0.00 30.24 30.82 3db0 n GLN 17 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3db0 s VAL 18 N -0.70 3.39 0.34 5.09 1.01 -1.26 -0.02 120.40 128.25 3db0 s VAL 18 Ca 0.02 -0.56 -0.00 0.00 0.00 0.00 0.00 61.98 61.43 3db0 s VAL 18 Cb 0.02 -2.41 0.00 0.00 0.00 0.00 0.00 36.38 33.99 3db0 s VAL 18 CO 0.06 0.55 0.45 0.61 0.00 0.00 0.00 175.10 176.77 3db0 n GLY 19 N 2.95 2.25 3.44 4.51 0.00 -1.26 -4.47 105.19 112.60 3db0 n GLY 19 Ca -0.18 -1.65 -0.36 0.00 0.00 0.00 0.00 46.02 43.83 3db0 n GLY 19 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3db0 s VAL 20 N -2.88 4.13 -0.19 1.61 1.01 0.77 -4.26 120.40 120.58 3db0 s VAL 20 Ca 0.30 -0.24 -0.12 0.00 0.00 0.00 0.00 61.98 61.92 3db0 s VAL 20 Cb -0.01 -2.91 -0.05 0.00 0.00 0.00 0.00 36.38 33.42 3db0 s VAL 20 CO 0.21 0.38 0.22 -0.22 0.00 0.00 0.00 175.10 175.69 3db0 s LEU 21 N 1.38 4.20 -0.20 3.92 2.96 0.59 -1.85 118.68 129.68 3db0 s LEU 21 Ca 0.05 0.34 -0.02 0.00 -0.22 0.00 0.00 54.13 54.28 3db0 s LEU 21 Cb -0.15 -2.24 0.00 0.00 0.50 0.00 0.00 46.19 44.31 3db0 s LEU 21 CO 0.02 0.11 -0.10 -0.89 -1.32 0.00 0.00 176.35 174.17 3db0 s THR 22 N 0.61 2.90 0.46 3.68 2.01 0.22 -1.28 115.64 124.24 3db0 s THR 22 Ca 0.12 -0.66 0.04 0.00 0.31 0.00 0.00 61.69 61.50 3db0 s THR 22 Cb -0.12 -2.29 -0.04 0.00 0.01 0.00 0.00 72.50 70.05 3db0 s THR 22 CO 0.02 0.47 0.01 -0.94 -0.69 0.00 0.00 174.62 173.49 3db0 s SER 23 N 1.37 3.97 -0.04 3.53 1.04 -0.52 -1.55 113.70 121.49 3db0 s SER 23 Ca 0.05 -1.52 0.04 0.00 0.48 0.00 0.00 55.95 55.00 3db0 s SER 23 Cb -0.14 0.09 0.00 0.00 0.10 0.00 0.00 66.02 66.07 3db0 s SER 23 CO -0.06 -0.66 -0.15 -0.69 0.98 0.00 0.00 173.24 172.65 3db0 s VAL 24 N -2.81 1.28 -0.51 5.02 1.01 -1.26 -0.49 120.40 122.63 3db0 s VAL 24 Ca 0.20 -0.62 0.04 0.00 0.00 0.00 0.00 61.98 61.59 3db0 s VAL 24 Cb 0.06 -1.11 0.13 0.00 0.00 0.00 0.00 36.38 35.46 3db0 s VAL 24 CO 0.10 0.37 0.27 -1.58 0.00 0.00 0.00 175.10 174.27 3db0 s GLN 25 N 0.15 1.85 7.09 2.72 0.74 0.29 -4.75 119.66 127.75 3db0 s GLN 25 Ca -0.05 -2.53 0.00 0.00 0.05 0.00 0.00 55.36 52.82 3db0 s GLN 25 Cb -0.12 -3.09 0.00 0.00 1.10 0.00 0.00 33.01 30.90 3db0 s GLN 25 CO 0.02 -1.14 0.00 0.41 -0.55 0.00 0.00 175.29 174.04 3db0 n GLY 26 N 3.12 2.39 1.19 2.59 0.00 -1.26 -1.81 105.19 111.41 3db0 n GLY 26 Ca 0.07 -0.12 0.12 0.00 0.00 0.00 0.00 46.02 46.08 3db0 n GLY 26 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3db0 n ASP 27 N 9.81 3.51 -4.56 1.61 8.00 -1.26 -4.96 116.55 128.70 3db0 n ASP 27 Ca 0.00 -1.98 -0.34 0.00 0.71 0.00 0.00 54.79 53.18 3db0 n ASP 27 Cb 0.00 -0.33 -0.11 0.00 -0.02 0.00 0.00 41.12 40.66 3db0 n ASP 27 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3db0 s PHE 28 N -1.34 3.09 0.37 1.24 0.40 -0.75 -5.10 117.98 115.89 3db0 s PHE 28 Ca 0.42 -0.12 -0.22 0.00 -0.60 0.00 0.00 56.93 56.40 3db0 s PHE 28 Cb 0.23 -1.94 -0.10 0.00 0.51 0.00 0.00 43.02 41.72 3db0 s PHE 28 CO 0.32 0.11 0.92 -1.25 0.70 0.00 0.00 175.22 176.01 3db0 s PRO 29 N 0.10 4.35 -0.12 0.24 0.04 -1.26 -0.55 135.00 137.80 3db0 s PRO 29 Ca 0.01 1.15 0.00 0.00 0.04 0.00 0.00 61.00 62.20 3db0 s PRO 29 Cb -0.13 -2.48 0.02 0.00 0.04 0.00 0.00 34.50 31.95 3db0 s PRO 29 CO 0.02 0.13 -0.12 -1.01 0.04 0.00 0.00 177.00 176.06 3db0 s HIS 30 N -1.91 1.82 -0.09 0.56 3.76 0.35 -4.90 115.29 114.88 3db0 s HIS 30 Ca 0.56 -0.93 0.01 0.00 -0.15 0.00 0.00 55.06 54.55 3db0 s HIS 30 Cb -0.13 -1.38 -0.02 0.00 1.11 0.00 0.00 32.58 32.15 3db0 s HIS 30 CO 0.18 -0.54 -0.10 0.00 -0.85 0.00 0.00 174.74 173.43 3db0 s ALA 31 N 1.39 2.82 -0.02 -1.40 0.00 -1.26 -1.44 121.76 121.85 3db0 s ALA 31 Ca 0.01 -0.90 -0.07 0.00 0.00 0.00 0.00 51.96 51.00 3db0 s ALA 31 Cb -0.13 -1.20 0.01 0.00 0.00 0.00 0.00 23.12 21.79 3db0 s ALA 31 CO -0.07 0.44 0.15 1.03 0.00 0.00 0.00 175.76 177.31 3db0 s ARG 32 N -0.36 0.37 0.40 0.00 0.52 -0.40 -4.98 118.95 114.49 3db0 s ARG 32 Ca 0.04 -0.15 -0.13 0.00 -0.52 0.00 0.00 55.73 54.97 3db0 s ARG 32 Cb -0.12 0.16 -0.08 0.00 0.52 0.00 0.00 34.95 35.43 3db0 s ARG 32 CO 0.02 -0.08 0.80 0.71 0.02 0.00 0.00 175.30 176.78 3db0 s TYR 33 N -0.79 3.43 -0.16 -0.53 2.02 -1.26 -0.30 117.35 119.75 3db0 s TYR 33 Ca -0.09 1.19 -0.06 0.00 -0.37 0.00 0.00 57.07 57.75 3db0 s TYR 33 Cb -0.05 -2.55 -0.04 0.00 -0.40 0.00 0.00 41.96 38.92 3db0 s TYR 33 CO 0.01 -0.08 0.05 0.99 -1.57 0.00 0.00 175.55 174.95 3db0 s THR 35 N -2.27 4.67 -0.13 -0.71 2.01 -1.26 -4.94 115.64 113.02 3db0 s THR 35 Ca 0.54 -0.08 0.03 0.00 0.31 0.00 0.00 61.69 62.48 3db0 s THR 35 Cb -0.10 -3.07 0.01 0.00 0.01 0.00 0.00 72.50 69.34 3db0 s THR 35 CO 0.26 0.50 -0.22 -0.36 -0.69 0.00 0.00 174.62 174.10 3db0 s PHE 36 N 0.07 2.65 0.28 4.92 0.08 0.97 -4.27 117.98 122.68 3db0 s PHE 36 Ca 0.05 -1.27 0.05 0.00 0.12 0.00 0.00 56.93 55.87 3db0 s PHE 36 Cb -0.12 -1.80 -0.02 0.00 -0.57 0.00 0.00 43.02 40.50 3db0 s PHE 36 CO 0.01 -0.57 0.42 -0.51 -0.10 0.00 0.00 175.22 174.47 3db0 s LEU 37 N 0.71 4.19 0.05 -0.37 1.43 -0.14 -4.52 118.68 120.04 3db0 s LEU 37 Ca -0.09 0.07 -0.04 0.00 -1.03 0.00 0.00 54.13 53.03 3db0 s LEU 37 Cb -0.16 -2.90 -0.02 0.00 0.03 0.00 0.00 46.19 43.14 3db0 s LEU 37 CO 0.00 -0.19 0.05 -1.38 0.23 0.00 0.00 176.35 175.06 3db0 s HIS 38 N -2.08 0.31 -0.32 0.29 -3.43 -1.26 -0.99 115.29 107.80 3db0 s HIS 38 Ca 0.37 -0.72 -0.01 0.00 -0.80 0.00 0.00 55.06 53.91 3db0 s HIS 38 Cb -0.09 -0.22 0.11 0.00 -1.43 0.00 0.00 32.58 30.94 3db0 s HIS 38 CO 0.31 -0.38 0.13 0.34 -2.00 0.00 0.00 174.74 173.13 3db0 s ASP 39 N -2.45 3.85 0.69 7.38 2.15 -0.26 -5.00 116.67 123.03 3db0 s ASP 39 Ca -0.00 -1.74 0.00 0.00 0.43 0.00 0.00 52.55 51.24 3db0 s ASP 39 Cb 0.02 -0.78 0.00 0.00 -0.30 0.00 0.00 42.92 41.86 3db0 s ASP 39 CO -0.07 -0.40 0.00 0.61 -0.17 0.00 0.00 175.17 175.14 3db0 n GLY 40 N 4.70 2.03 0.47 2.66 0.00 -1.26 -1.73 105.19 112.06 3db0 n GLY 40 Ca -0.00 -0.56 0.12 0.00 0.00 0.00 0.00 46.02 45.57 3db0 n GLY 40 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3db0 n LEU 41 N 0.00 1.44 -4.71 0.99 4.77 -1.26 -4.83 117.00 113.40 3db0 n LEU 41 Ca 0.00 -0.55 -0.41 0.00 -0.03 0.00 0.00 56.01 55.02 3db0 n LEU 41 Cb 0.00 -0.05 -0.04 0.00 -2.33 0.00 0.00 43.42 41.00 3db0 n LEU 41 CO 0.00 0.28 0.57 -0.89 -1.33 0.00 0.00 177.39 176.01 3db0 s THR 42 N -1.89 4.94 0.08 -5.08 2.01 -0.71 -4.46 115.64 110.53 3db0 s THR 42 Ca 0.35 1.81 0.02 0.00 0.31 0.00 0.00 61.69 64.19 3db0 s THR 42 Cb 0.19 -4.21 -0.04 0.00 0.01 0.00 0.00 72.50 68.45 3db0 s THR 42 CO 0.29 0.20 0.10 -0.76 -0.69 0.00 0.00 174.62 173.76 3db0 s LEU 43 N 0.93 3.91 -0.02 4.42 1.43 -0.59 -1.11 118.68 127.64 3db0 s LEU 43 Ca 0.46 0.04 0.01 0.00 -1.03 0.00 0.00 54.13 53.62 3db0 s LEU 43 Cb -0.20 -2.57 0.01 0.00 0.03 0.00 0.00 46.19 43.46 3db0 s LEU 43 CO 0.24 0.17 -0.04 -0.31 0.23 0.00 0.00 176.35 176.65 3db0 s TYR 44 N -1.41 0.50 -0.01 0.29 2.02 -0.17 0.50 117.35 119.08 3db0 s TYR 44 Ca 0.30 -0.10 0.01 0.00 -0.37 0.00 0.00 57.07 56.92 3db0 s TYR 44 Cb -0.12 -0.43 0.00 0.00 -0.40 0.00 0.00 41.96 41.01 3db0 s TYR 44 CO 0.23 -0.09 -0.03 -0.08 -1.57 0.00 0.00 175.55 174.01 3db0 s THR 45 N 0.46 0.30 0.53 -0.71 -1.32 0.56 -0.97 115.64 114.50 3db0 s THR 45 Ca -0.05 -0.12 -0.20 0.00 -1.21 0.00 0.00 61.69 60.11 3db0 s THR 45 Cb -0.09 -0.29 -0.06 0.00 -1.51 0.00 0.00 72.50 70.55 3db0 s THR 45 CO -0.00 0.11 1.13 -2.16 -2.21 0.00 0.00 174.62 171.48 3db0 s PRO 46 N 0.18 3.42 0.37 7.08 0.04 -1.26 -0.26 135.00 144.56 3db0 s PRO 46 Ca -0.02 1.62 -0.14 0.00 0.04 0.00 0.00 61.00 62.51 3db0 s PRO 46 Cb -0.05 -2.05 0.04 0.00 0.04 0.00 0.00 34.50 32.49 3db0 s PRO 46 CO -0.00 -0.80 0.73 0.45 0.04 0.00 0.00 177.00 177.42 3db0 s SER 47 N -1.74 0.14 0.12 6.66 0.15 0.12 -4.83 113.70 114.33 3db0 s SER 47 Ca 0.72 -1.18 0.08 0.00 0.70 0.00 0.00 55.95 56.27 3db0 s SER 47 Cb -0.24 0.81 -0.04 0.00 -1.71 0.00 0.00 66.02 64.84 3db0 s SER 47 CO 0.27 -1.61 -0.14 -0.83 1.20 0.00 0.00 173.24 172.14 3db0 s GLY 48 N -3.09 1.74 0.40 9.45 0.00 -1.26 -0.97 107.32 113.59 3db0 s GLY 48 Ca 0.18 -1.32 0.12 0.00 0.00 0.00 0.00 44.72 43.70 3db0 s GLY 48 CO 0.13 -1.31 1.94 0.50 0.00 0.00 0.00 173.10 174.36 3db0 h LYS 49 N 3.59 0.51 -0.21 2.90 1.57 -1.27 -2.27 116.57 121.39 3db0 h LYS 49 Ca -0.49 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.26 3db0 h LYS 49 Cb 1.17 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.37 3db0 h LYS 49 CO 0.49 0.34 0.00 0.39 -0.57 0.00 0.00 179.45 180.10 3db0 n GLU 50 N -4.49 2.33 -2.49 3.15 4.71 -1.26 -4.74 120.64 117.85 3db0 n GLU 50 Ca 0.13 -1.97 -0.36 0.00 -0.01 0.00 0.00 57.16 54.95 3db0 n GLU 50 Cb 0.41 -1.48 -0.03 0.00 -1.01 0.00 0.00 31.44 29.33 3db0 n GLU 50 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 3db0 s LEU 51 N -1.73 4.02 0.27 -4.62 1.43 -0.85 -4.94 118.68 112.26 3db0 s LEU 51 Ca 0.34 2.06 -0.00 0.00 -1.03 0.00 0.00 54.13 55.49 3db0 s LEU 51 Cb 0.21 -4.31 0.54 0.00 0.03 0.00 0.00 46.19 42.66 3db0 s LEU 51 CO 0.31 -0.67 1.79 -0.65 0.23 0.00 0.00 176.35 177.36 3db0 h PRO 52 N 2.12 0.75 -0.07 1.29 0.11 -1.94 -2.35 132.00 131.92 3db0 h PRO 52 Ca -0.49 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 65.52 3db0 h PRO 52 Cb 1.22 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 3db0 h PRO 52 CO 0.61 0.50 -0.20 1.57 -0.21 0.00 0.00 178.00 180.27 3db0 h LYS 53 N 0.78 0.12 -0.28 1.05 2.10 -1.93 0.53 116.57 118.93 3db0 h LYS 53 Ca 0.47 -0.03 -0.06 0.00 -2.00 0.00 0.00 60.65 59.04 3db0 h LYS 53 Cb 0.58 -0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 31.89 3db0 h LYS 53 CO -0.31 0.32 -0.06 1.15 -2.00 0.00 0.00 179.45 178.55 3db0 h THR 54 N 0.11 1.28 -0.23 0.07 2.02 -1.69 -2.39 112.91 112.09 3db0 h THR 54 Ca 0.02 -1.07 -0.10 0.00 0.77 0.00 0.00 66.41 66.04 3db0 h THR 54 Cb 0.42 1.41 -0.01 0.00 -1.74 0.00 0.00 68.15 68.23 3db0 h THR 54 CO 0.03 0.34 -0.27 -0.08 0.37 0.00 0.00 175.52 175.91 3db0 h GLU 55 N 0.29 0.44 -0.05 6.66 4.57 -1.16 -2.35 114.58 122.97 3db0 h GLU 55 Ca 0.07 -0.17 0.00 0.00 -1.18 0.00 0.00 59.36 58.09 3db0 h GLU 55 Cb 0.53 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.09 3db0 h GLU 55 CO 0.03 0.67 0.01 0.93 -1.18 0.00 0.00 179.01 179.47 3db0 h GLU 56 N 0.38 0.03 -0.95 1.92 5.08 -0.79 -2.52 114.58 117.73 3db0 h GLU 56 Ca 0.05 -0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.42 3db0 h GLU 56 Cb 0.68 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.87 3db0 h GLU 56 CO 0.05 0.02 0.63 0.28 -1.00 0.00 0.00 179.01 178.99 3db0 h VAL 57 N 0.03 1.25 -0.76 3.13 2.07 -1.34 0.20 116.25 120.83 3db0 h VAL 57 Ca 0.02 -0.45 -0.00 0.00 0.82 0.00 0.00 66.70 67.09 3db0 h VAL 57 Cb 0.01 -0.16 -0.04 0.00 -1.52 0.00 0.00 31.29 29.59 3db0 h VAL 57 CO -0.03 0.24 0.46 0.03 0.02 0.00 0.00 177.57 178.29 3db0 h ARG 58 N 1.29 1.03 0.00 1.57 3.08 -1.26 -3.11 114.38 116.98 3db0 h ARG 58 Ca 0.35 -0.09 -0.12 0.00 0.07 0.00 0.00 59.98 60.19 3db0 h ARG 58 Cb -0.15 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 29.67 3db0 h ARG 58 CO -0.07 0.72 -1.51 0.54 -1.07 0.00 0.00 179.97 178.57 3db0 n ARG 59 N -4.38 0.63 -3.42 0.04 1.74 -0.92 -4.79 116.66 105.56 3db0 n ARG 59 Ca 0.08 0.10 -0.15 0.00 -0.77 0.00 0.00 57.85 57.12 3db0 n ARG 59 Cb 0.07 -1.73 -0.10 0.00 -1.02 0.00 0.00 32.46 29.67 3db0 n ARG 59 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 3db0 s ASN 60 N -5.43 1.05 0.00 0.55 3.84 0.66 -5.04 114.94 110.57 3db0 s ASN 60 Ca -0.04 -0.21 0.22 0.00 0.21 0.00 0.00 52.86 53.05 3db0 s ASN 60 Cb 0.10 0.67 1.07 0.00 -0.55 0.00 0.00 41.25 42.53 3db0 s ASN 60 CO 0.82 -0.33 1.72 -0.81 -2.79 0.00 0.00 177.10 175.71 3db0 n PRO 61 N 5.33 0.21 -2.66 0.43 -0.04 -1.21 -4.05 135.00 133.01 3db0 n PRO 61 Ca -0.04 0.09 -0.43 0.00 -0.04 0.00 0.00 63.50 63.08 3db0 n PRO 61 Cb 0.49 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.43 3db0 n PRO 61 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 3db0 s HIS 62 N -2.72 3.18 0.11 0.54 3.76 -1.26 0.06 115.29 118.95 3db0 s HIS 62 Ca 0.18 1.21 0.05 0.00 -0.15 0.00 0.00 55.06 56.35 3db0 s HIS 62 Cb 0.15 -3.61 -0.04 0.00 1.11 0.00 0.00 32.58 30.19 3db0 s HIS 62 CO 0.36 -0.72 -0.14 0.14 -0.85 0.00 0.00 174.74 173.54 3db0 s VAL 63 N 3.56 1.24 -0.11 -0.90 -7.23 -0.71 -4.45 120.40 111.80 3db0 s VAL 63 Ca 0.45 -1.61 0.02 0.00 -1.81 0.00 0.00 61.98 59.03 3db0 s VAL 63 Cb -0.13 -1.40 0.01 0.00 0.56 0.00 0.00 36.38 35.42 3db0 s VAL 63 CO 0.14 -0.39 -0.18 0.00 -0.31 0.00 0.00 175.10 174.36 3db0 s VAL 65 N 0.77 3.11 -0.15 0.00 1.01 0.14 -0.61 120.40 124.67 3db0 s VAL 65 Ca -0.10 -0.66 -0.01 0.00 0.00 0.00 0.00 61.98 61.20 3db0 s VAL 65 Cb -0.16 -2.28 -0.02 0.00 0.00 0.00 0.00 36.38 33.93 3db0 s VAL 65 CO 0.01 0.55 -0.10 -0.76 0.00 0.00 0.00 175.10 174.80 3db0 s LEU 66 N -0.02 2.84 -0.15 3.92 1.43 -0.77 -0.39 118.68 125.53 3db0 s LEU 66 Ca -0.03 -0.31 -0.11 0.00 -1.03 0.00 0.00 54.13 52.65 3db0 s LEU 66 Cb -0.14 -1.67 0.05 0.00 0.03 0.00 0.00 46.19 44.46 3db0 s LEU 66 CO 0.04 0.13 0.39 -0.51 0.23 0.00 0.00 176.35 176.63 3db0 s ILE 67 N 0.58 -0.01 0.00 -0.59 2.07 -0.83 -0.16 121.20 122.25 3db0 s ILE 67 Ca -0.06 0.05 0.00 0.00 -1.41 0.00 0.00 60.65 59.23 3db0 s ILE 67 Cb -0.15 -0.56 0.00 0.00 0.13 0.00 0.00 42.46 41.87 3db0 s ILE 67 CO 0.03 0.02 0.00 0.61 -1.91 0.00 0.00 174.94 173.69 3db0 n GLY 68 N 3.57 0.83 3.55 1.50 0.00 -1.26 -0.74 105.19 112.65 3db0 n GLY 68 Ca -0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.42 3db0 n GLY 68 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3db0 s TYR 69 N -2.00 2.39 -0.19 1.61 5.04 -1.26 -4.64 117.35 118.30 3db0 s TYR 69 Ca 0.00 0.04 -0.01 0.00 -2.44 0.00 0.00 57.07 54.66 3db0 s TYR 69 Cb 0.00 -4.57 -0.21 0.00 0.35 0.00 0.00 41.96 37.53 3db0 s TYR 69 CO 0.00 -1.92 0.05 -0.25 -1.34 0.00 0.00 175.55 172.09 3db0 n ASP 70 N 9.02 1.97 -3.71 4.32 8.00 -1.26 -5.04 116.55 129.84 3db0 n ASP 70 Ca 0.04 0.02 -0.10 0.00 0.71 0.00 0.00 54.79 55.46 3db0 n ASP 70 Cb 0.49 -0.56 -0.04 0.00 -0.02 0.00 0.00 41.12 40.99 3db0 n ASP 70 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3db0 s SER 71 N -6.70 0.09 0.65 -2.24 1.04 -1.26 -5.02 113.70 100.25 3db0 s SER 71 Ca -0.28 -1.02 0.35 0.00 0.48 0.00 0.00 55.95 55.47 3db0 s SER 71 Cb 0.08 0.65 1.94 0.00 0.10 0.00 0.00 66.02 68.79 3db0 s SER 71 CO 0.68 -1.26 2.14 -0.65 0.98 0.00 0.00 173.24 175.13 3db0 h PRO 72 N 2.17 0.00 -0.02 4.02 0.11 -2.02 -1.92 132.00 134.34 3db0 h PRO 72 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 3db0 h PRO 72 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3db0 h PRO 72 CO 0.35 0.00 -0.30 0.41 -0.21 0.00 0.00 178.00 178.25 3db0 n GLY 73 N -1.21 0.09 3.74 -0.55 0.00 -1.26 -4.98 105.19 101.02 3db0 n GLY 73 Ca -0.01 -0.59 -0.42 0.00 0.00 0.00 0.00 46.02 45.00 3db0 n GLY 73 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3db0 s SER 74 N -2.35 6.54 0.21 1.61 0.01 -0.72 -4.96 113.70 114.04 3db0 s SER 74 Ca 0.23 2.76 -0.30 0.00 1.31 0.00 0.00 55.95 59.95 3db0 s SER 74 Cb 0.19 -2.62 -0.08 0.00 0.21 0.00 0.00 66.02 63.71 3db0 s SER 74 CO 0.49 -0.80 0.96 0.00 0.41 0.00 0.00 173.24 174.30 3db0 s ALA 75 N 0.20 3.32 0.31 1.44 0.00 -1.24 -4.70 121.76 121.10 3db0 s ALA 75 Ca 0.63 0.63 0.02 0.00 0.00 0.00 0.00 51.96 53.24 3db0 s ALA 75 Cb -0.44 -3.23 -0.02 0.00 0.00 0.00 0.00 23.12 19.42 3db0 s ALA 75 CO 0.43 0.13 0.32 -0.59 0.00 0.00 0.00 175.76 176.04 3db0 s PHE 76 N -0.89 1.40 -0.05 0.00 -0.71 -0.15 -4.67 117.98 112.91 3db0 s PHE 76 Ca 0.43 -1.47 0.04 0.00 -1.04 0.00 0.00 56.93 54.89 3db0 s PHE 76 Cb -0.26 -0.47 -0.02 0.00 -1.21 0.00 0.00 43.02 41.06 3db0 s PHE 76 CO 0.32 -0.91 -0.17 -0.51 -1.34 0.00 0.00 175.22 172.61 3db0 s LEU 77 N -3.28 2.59 -0.24 -1.99 1.43 0.08 -0.38 118.68 116.89 3db0 s LEU 77 Ca 0.37 -0.26 -0.03 0.00 -1.03 0.00 0.00 54.13 53.18 3db0 s LEU 77 Cb 0.02 -1.51 0.02 0.00 0.03 0.00 0.00 46.19 44.75 3db0 s LEU 77 CO 0.22 0.33 -0.05 -0.70 0.23 0.00 0.00 176.35 176.39 3db0 s GLU 78 N -0.66 2.99 -0.19 1.70 2.12 0.33 -1.97 118.70 123.01 3db0 s GLU 78 Ca 0.10 -0.88 -0.00 0.00 0.36 0.00 0.00 54.97 54.55 3db0 s GLU 78 Cb -0.11 -3.01 0.01 0.00 0.26 0.00 0.00 34.13 31.28 3db0 s GLU 78 CO 0.00 -0.35 -0.15 0.42 -0.54 0.00 0.00 175.26 174.64 3db0 s ILE 79 N 1.38 2.42 -0.19 -3.70 1.01 0.48 -0.74 121.20 121.86 3db0 s ILE 79 Ca 0.02 -0.84 -0.04 0.00 0.00 0.00 0.00 60.65 59.79 3db0 s ILE 79 Cb -0.16 -2.06 -0.02 0.00 0.01 0.00 0.00 42.46 40.23 3db0 s ILE 79 CO -0.04 0.49 -0.02 0.20 0.00 0.00 0.00 174.94 175.58 3db0 s ASN 80 N 1.34 4.77 0.34 3.58 -0.87 -0.29 0.28 114.94 124.08 3db0 s ASN 80 Ca 0.05 -0.20 -0.05 0.00 -1.57 0.00 0.00 52.86 51.09 3db0 s ASN 80 Cb -0.14 -1.80 0.02 0.00 -0.02 0.00 0.00 41.25 39.31 3db0 s ASN 80 CO -0.10 0.09 0.53 0.61 -2.57 0.00 0.00 177.10 175.65 3db0 n GLY 81 N 4.08 1.87 3.30 0.66 0.00 -0.43 -0.25 105.19 114.43 3db0 n GLY 81 Ca -0.17 -1.50 -0.34 0.00 0.00 0.00 0.00 46.02 44.01 3db0 n GLY 81 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3db0 s LEU 82 N 0.00 2.77 -0.04 0.99 1.43 -0.54 -1.74 118.68 121.55 3db0 s LEU 82 Ca 0.24 -0.40 -0.02 0.00 -1.03 0.00 0.00 54.13 52.91 3db0 s LEU 82 Cb -0.02 -1.68 -0.04 0.00 0.03 0.00 0.00 46.19 44.48 3db0 s LEU 82 CO 0.17 0.03 0.08 0.00 0.23 0.00 0.00 176.35 176.85 3db0 s ALA 83 N 1.19 3.58 0.15 4.21 0.00 0.11 -1.21 121.76 129.80 3db0 s ALA 83 Ca 0.02 -0.82 -0.13 0.00 0.00 0.00 0.00 51.96 51.03 3db0 s ALA 83 Cb -0.14 -1.63 0.02 0.00 0.00 0.00 0.00 23.12 21.36 3db0 s ALA 83 CO -0.03 0.66 0.37 -1.54 0.00 0.00 0.00 175.76 175.23 3db0 s SER 84 N -1.45 -0.11 -0.16 0.00 1.04 -0.55 -4.52 113.70 107.95 3db0 s SER 84 Ca 0.20 -0.56 -0.21 0.00 0.48 0.00 0.00 55.95 55.86 3db0 s SER 84 Cb -0.12 0.47 -0.03 0.00 0.10 0.00 0.00 66.02 66.44 3db0 s SER 84 CO 0.10 -0.90 0.62 -0.76 0.98 0.00 0.00 173.24 173.28 3db0 s LEU 85 N -2.88 4.20 0.15 2.42 1.43 -1.26 -0.11 118.68 122.64 3db0 s LEU 85 Ca 0.09 0.91 -0.31 0.00 -1.03 0.00 0.00 54.13 53.78 3db0 s LEU 85 Cb 0.02 -2.91 -0.10 0.00 0.03 0.00 0.00 46.19 43.23 3db0 s LEU 85 CO -0.06 -0.20 1.58 -0.70 0.23 0.00 0.00 176.35 177.20 3db0 s GLU 86 N 1.48 4.21 -0.00 1.70 2.56 0.25 -4.90 118.70 123.99 3db0 s GLU 86 Ca 0.30 2.36 0.14 0.00 0.00 0.00 0.00 54.97 57.77 3db0 s GLU 86 Cb -0.16 -3.21 -0.17 0.00 2.00 0.00 0.00 34.13 32.59 3db0 s GLU 86 CO 0.12 -0.62 0.53 0.39 -0.56 0.00 0.00 175.26 175.12 3db0 n GLU 87 N 4.17 1.94 -2.68 4.30 1.02 -1.26 -4.70 120.64 123.44 3db0 n GLU 87 Ca 0.14 -0.03 -0.43 0.00 -0.02 0.00 0.00 57.16 56.82 3db0 n GLU 87 Cb 0.39 -1.20 -0.02 0.00 -0.02 0.00 0.00 31.44 30.58 3db0 n GLU 87 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3db0 s ASP 88 N -2.62 6.81 0.37 1.62 -1.08 -1.26 -4.90 116.67 115.61 3db0 s ASP 88 Ca 0.03 0.81 0.08 0.00 -0.52 0.00 0.00 52.55 52.95 3db0 s ASP 88 Cb 0.10 -2.52 0.73 0.00 -1.46 0.00 0.00 42.92 39.77 3db0 s ASP 88 CO 0.58 -0.94 1.90 -0.33 0.52 0.00 0.00 175.17 176.90 3db0 h GLU 89 N 8.41 0.33 -0.17 4.34 4.39 -1.99 -0.96 114.58 128.92 3db0 h GLU 89 Ca -0.22 -0.07 -0.11 0.00 0.34 0.00 0.00 59.36 59.30 3db0 h GLU 89 Cb 1.07 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.66 3db0 h GLU 89 CO 1.04 0.43 -0.39 0.66 -1.16 0.00 0.00 179.01 179.59 3db0 h SER 90 N 0.31 0.40 -0.17 1.42 4.64 -1.99 -1.78 113.55 116.39 3db0 h SER 90 Ca 0.07 -0.17 -0.22 0.00 -0.47 0.00 0.00 61.79 61.00 3db0 h SER 90 Cb 0.36 -0.11 0.01 0.00 -0.31 0.00 0.00 62.40 62.34 3db0 h SER 90 CO 0.02 0.75 -0.73 0.40 -0.87 0.00 0.00 176.83 176.40 3db0 h ILE 91 N 0.32 1.28 -0.65 0.95 2.04 -1.77 -1.68 117.51 118.00 3db0 h ILE 91 Ca 0.03 -1.92 -0.01 0.00 1.00 0.00 0.00 64.86 63.95 3db0 h ILE 91 Cb 0.82 1.91 -0.03 0.00 -0.74 0.00 0.00 36.82 38.78 3db0 h ILE 91 CO 0.07 0.61 0.35 0.11 0.00 0.00 0.00 178.15 179.29 3db0 h LYS 92 N 0.57 0.90 -0.32 2.37 1.57 -1.11 -1.57 116.57 118.98 3db0 h LYS 92 Ca -0.04 -0.11 -0.15 0.00 -1.87 0.00 0.00 60.65 58.48 3db0 h LYS 92 Cb 1.36 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 33.48 3db0 h LYS 92 CO 0.15 0.68 -0.41 1.49 -0.57 0.00 0.00 179.45 180.80 3db0 h GLU 93 N 0.88 0.79 -0.02 3.15 4.57 -1.28 -0.87 114.58 121.80 3db0 h GLU 93 Ca 0.23 -0.42 -0.00 0.00 -1.18 0.00 0.00 59.36 57.99 3db0 h GLU 93 Cb 0.04 0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 28.65 3db0 h GLU 93 CO -0.04 1.05 0.01 -0.09 -1.18 0.00 0.00 179.01 178.77 3db0 h ARG 94 N 0.64 0.04 -0.66 1.92 9.65 -1.11 -0.60 114.38 124.26 3db0 h ARG 94 Ca 0.05 -0.01 0.02 0.00 -1.10 0.00 0.00 59.98 58.94 3db0 h ARG 94 Cb 0.97 -0.01 -0.04 0.00 -1.39 0.00 0.00 29.97 29.51 3db0 h ARG 94 CO 0.09 0.17 0.42 0.82 2.80 0.00 0.00 179.97 184.28 3db0 h ILE 95 N -0.11 1.12 -0.47 1.20 1.08 -1.25 -1.22 117.51 117.87 3db0 h ILE 95 Ca 0.01 -0.29 0.06 0.00 -0.39 0.00 0.00 64.86 64.25 3db0 h ILE 95 Cb 0.15 0.20 -0.05 0.00 -3.07 0.00 0.00 36.82 34.05 3db0 h ILE 95 CO -0.00 0.15 0.18 -0.25 -0.69 0.00 0.00 178.15 177.55 3db0 h TRP 96 N 0.84 0.33 -0.29 1.37 2.91 -0.90 0.55 115.95 120.75 3db0 h TRP 96 Ca 0.26 0.02 -0.10 0.00 1.13 0.00 0.00 58.89 60.20 3db0 h TRP 96 Cb -0.03 -0.08 -0.01 0.00 -0.51 0.00 0.00 29.16 28.53 3db0 h TRP 96 CO -0.04 0.13 -0.22 0.93 -1.03 0.00 0.00 178.44 178.20 3db0 h GLU 97 N 0.37 0.55 -0.26 2.65 5.08 -0.82 -0.76 114.58 121.40 3db0 h GLU 97 Ca 0.22 -0.20 -0.13 0.00 -1.00 0.00 0.00 59.36 58.24 3db0 h GLU 97 Cb 0.20 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.41 3db0 h GLU 97 CO -0.21 0.74 -0.36 -0.91 -1.00 0.00 0.00 179.01 177.28 3db0 h ASN 98 N 0.49 0.76 -0.50 1.42 4.21 -0.62 -2.62 115.58 118.72 3db0 h ASN 98 Ca 0.07 -0.51 -0.09 0.00 1.21 0.00 0.00 56.30 56.99 3db0 h ASN 98 Cb 0.66 -0.22 -0.02 0.00 -1.12 0.00 0.00 38.32 37.62 3db0 h ASN 98 CO 0.05 1.12 -0.04 0.40 -1.29 0.00 0.00 177.43 177.66 3db0 h ILE 99 N 0.42 1.27 -0.64 2.81 1.08 -0.71 -3.27 117.51 118.46 3db0 h ILE 99 Ca 0.03 -1.15 0.00 0.00 -0.39 0.00 0.00 64.86 63.35 3db0 h ILE 99 Cb 0.94 1.00 0.00 0.00 -3.07 0.00 0.00 36.82 35.69 3db0 h ILE 99 CO 0.08 0.40 0.00 -1.54 -0.69 0.00 0.00 178.15 176.40 3db0 n SER 100 N -4.27 5.08 -0.23 1.72 3.41 -0.31 -4.67 113.62 114.35 3db0 n SER 100 Ca 0.01 -2.58 0.04 0.00 -0.26 0.00 0.00 58.87 56.08 3db0 n SER 100 Cb 0.35 -0.61 0.29 0.00 -0.26 0.00 0.00 64.21 63.97 3db0 n SER 100 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 175.04 174.95 3db0 h LYS 101 N 4.14 0.88 0.00 4.33 2.10 -1.52 1.46 116.57 127.95 3db0 h LYS 101 Ca 0.00 -0.05 -0.00 0.00 -2.00 0.00 0.00 60.65 58.60 3db0 h LYS 101 Cb 1.61 -0.20 -0.00 0.00 -0.90 0.00 0.00 32.23 32.74 3db0 h LYS 101 CO 0.31 0.58 -0.01 -0.44 -2.00 0.00 0.00 179.45 177.89 3db0 h ASP 102 N 0.90 0.00 0.00 7.07 3.32 -1.88 -3.27 116.42 122.56 3db0 h ASP 102 Ca 0.32 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.37 3db0 h ASP 102 Cb 0.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.69 3db0 h ASP 102 CO -0.10 0.01 0.00 -2.67 -1.72 0.00 0.00 179.24 174.75 3db0 n TRP 103 N -3.43 0.00 -1.73 4.55 2.14 -0.21 -5.09 117.44 113.67 3db0 n TRP 103 Ca -0.03 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.12 3db0 n TRP 103 Cb 0.09 0.00 -0.03 0.00 -0.81 0.00 0.00 31.31 30.56 3db0 n TRP 103 CO 0.00 0.00 0.00 0.12 2.07 0.00 0.00 177.69 179.88 3db0 s PHE 104 N -0.15 2.12 -0.12 -2.67 5.36 0.48 -4.88 117.98 118.13 3db0 s PHE 104 Ca 0.00 -0.02 0.21 0.00 -0.96 0.00 0.00 56.93 56.16 3db0 s PHE 104 Cb 0.00 -4.16 0.45 0.00 -0.34 0.00 0.00 43.02 38.96 3db0 s PHE 104 CO 0.00 -4.82 1.17 0.00 -1.46 0.00 0.00 175.22 170.11 3db0 n GLN 105 N 5.79 0.94 -0.00 10.12 10.64 -1.26 -4.96 117.38 138.64 3db0 n GLN 105 Ca 0.18 -2.73 0.00 0.00 -1.83 0.00 0.00 57.00 52.62 3db0 n GLN 105 Cb 0.39 -0.82 0.00 0.00 -0.86 0.00 0.00 30.24 28.94 3db0 n GLN 105 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3db0 n GLY 106 N -0.13 0.21 3.77 2.61 0.00 -1.26 -5.08 105.19 105.31 3db0 n GLY 106 Ca 0.12 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.80 3db0 n GLY 106 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3db0 s GLU 107 N -0.99 3.04 0.32 1.61 2.02 -1.26 -5.06 118.70 118.38 3db0 s GLU 107 Ca 0.00 1.48 0.05 0.00 0.02 0.00 0.00 54.97 56.52 3db0 s GLU 107 Cb 0.00 -1.97 -0.06 0.00 0.10 0.00 0.00 34.13 32.19 3db0 s GLU 107 CO 0.00 -1.07 0.01 0.34 0.02 0.00 0.00 175.26 174.56 3db0 s ASP 108 N -2.24 2.64 -0.16 -0.19 -1.08 -1.26 -5.09 116.67 109.29 3db0 s ASP 108 Ca 0.69 -1.31 -0.00 0.00 -0.52 0.00 0.00 52.55 51.41 3db0 s ASP 108 Cb -0.22 -0.14 0.04 0.00 -1.46 0.00 0.00 42.92 41.14 3db0 s ASP 108 CO 0.35 -0.50 -0.07 -0.55 0.52 0.00 0.00 175.17 174.92 3db0 s SER 109 N -3.49 2.83 0.52 -0.34 0.15 -1.26 -5.00 113.70 107.11 3db0 s SER 109 Ca 0.34 -0.64 0.30 0.00 0.70 0.00 0.00 55.95 56.65 3db0 s SER 109 Cb 0.07 -0.96 1.24 0.00 -1.71 0.00 0.00 66.02 64.65 3db0 s SER 109 CO 0.14 -0.16 1.94 1.55 1.20 0.00 0.00 173.24 177.91 3db0 h PRO 110 N 8.10 0.00 -0.01 5.44 0.13 -2.04 -2.68 132.00 140.94 3db0 h PRO 110 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 3db0 h PRO 110 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 3db0 h PRO 110 CO 0.42 0.07 -0.19 -1.13 -0.23 0.00 0.00 178.00 176.94 3db0 n SER 111 N -3.21 1.41 -4.72 1.44 3.41 -1.26 -4.89 113.62 105.80 3db0 n SER 111 Ca 0.00 -1.22 -0.42 0.00 -0.26 0.00 0.00 58.87 56.98 3db0 n SER 111 Cb 0.34 0.13 -0.03 0.00 -0.26 0.00 0.00 64.21 64.39 3db0 n SER 111 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 3db0 s PHE 112 N -2.32 3.33 0.02 7.33 5.36 -1.01 -0.76 117.98 129.94 3db0 s PHE 112 Ca 0.28 1.19 0.01 0.00 -0.96 0.00 0.00 56.93 57.45 3db0 s PHE 112 Cb 0.20 -3.55 -0.02 0.00 -0.34 0.00 0.00 43.02 39.31 3db0 s PHE 112 CO 0.46 -1.77 -0.04 0.08 -1.46 0.00 0.00 175.22 172.49 3db0 s VAL 113 N 0.66 0.26 -0.13 3.12 1.01 -0.14 -4.83 120.40 120.35 3db0 s VAL 113 Ca 0.59 -0.78 0.03 0.00 0.00 0.00 0.00 61.98 61.82 3db0 s VAL 113 Cb -0.34 -0.35 0.00 0.00 0.00 0.00 0.00 36.38 35.70 3db0 s VAL 113 CO 0.33 -0.34 -0.22 -0.69 0.00 0.00 0.00 175.10 174.18 3db0 s VAL 114 N -1.11 2.17 -0.30 2.92 1.01 -1.26 0.14 120.40 123.97 3db0 s VAL 114 Ca -0.10 -0.96 -0.20 0.00 0.00 0.00 0.00 61.98 60.72 3db0 s VAL 114 Cb -0.08 -1.86 -0.01 0.00 0.00 0.00 0.00 36.38 34.43 3db0 s VAL 114 CO -0.00 0.55 0.62 -0.63 0.00 0.00 0.00 175.10 175.64 3db0 s ILE 115 N 0.62 4.95 -0.13 2.22 1.01 0.64 -0.58 121.20 129.92 3db0 s ILE 115 Ca -0.11 0.86 -0.13 0.00 0.00 0.00 0.00 60.65 61.27 3db0 s ILE 115 Cb -0.16 -3.99 -0.05 0.00 0.01 0.00 0.00 42.46 38.27 3db0 s ILE 115 CO 0.03 -0.12 0.28 -0.75 0.00 0.00 0.00 174.94 174.38 3db0 s LYS 116 N 2.58 4.10 -0.19 2.79 2.20 0.85 -0.32 119.74 131.75 3db0 s LYS 116 Ca 0.25 0.10 0.01 0.00 -0.36 0.00 0.00 55.97 55.97 3db0 s LYS 116 Cb -0.15 -3.36 0.03 0.00 -1.51 0.00 0.00 37.83 32.84 3db0 s LYS 116 CO 0.11 0.38 -0.15 0.42 -0.36 0.00 0.00 175.35 175.75 3db0 s ILE 117 N 0.04 1.85 -0.37 5.43 1.01 0.18 -1.48 121.20 127.86 3db0 s ILE 117 Ca 0.17 -0.96 -0.17 0.00 0.00 0.00 0.00 60.65 59.70 3db0 s ILE 117 Cb -0.13 -1.77 0.00 0.00 0.01 0.00 0.00 42.46 40.56 3db0 s ILE 117 CO 0.05 0.37 0.42 -0.69 0.00 0.00 0.00 174.94 175.09 3db0 s VAL 118 N 1.34 5.11 0.34 2.92 1.01 -0.35 -1.54 120.40 129.23 3db0 s VAL 118 Ca 0.02 -0.02 -0.28 0.00 0.00 0.00 0.00 61.98 61.70 3db0 s VAL 118 Cb -0.14 -3.93 -0.09 0.00 0.00 0.00 0.00 36.38 32.21 3db0 s VAL 118 CO -0.10 -0.23 1.19 -2.84 0.00 0.00 0.00 175.10 173.11 3db0 s PRO 119 N 2.15 4.33 -0.10 2.72 0.02 -1.26 -1.46 135.00 141.39 3db0 s PRO 119 Ca 0.13 1.94 0.08 0.00 0.02 0.00 0.00 61.00 63.17 3db0 s PRO 119 Cb -0.16 -2.95 -0.12 0.00 0.02 0.00 0.00 34.50 31.29 3db0 s PRO 119 CO 0.13 -0.11 0.01 0.39 -0.33 0.00 0.00 177.00 177.09 3db0 n GLU 120 N 0.63 2.10 -3.76 5.54 -0.58 0.66 -4.92 120.64 120.32 3db0 n GLU 120 Ca 0.01 0.01 -0.13 0.00 -0.42 0.00 0.00 57.16 56.63 3db0 n GLU 120 Cb 0.45 -1.25 -0.13 0.00 -0.57 0.00 0.00 31.44 29.94 3db0 n GLU 120 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 3db0 s GLN 121 N -2.24 0.23 -0.09 3.49 -0.21 -0.77 -5.02 119.66 115.04 3db0 s GLN 121 Ca -0.07 0.42 -0.00 0.00 0.02 0.00 0.00 55.36 55.73 3db0 s GLN 121 Cb 0.03 -0.01 0.02 0.00 1.00 0.00 0.00 33.01 34.06 3db0 s GLN 121 CO 0.39 -0.10 -0.06 0.42 -2.12 0.00 0.00 175.29 173.82 3db0 s ILE 122 N 0.73 0.84 -0.10 1.08 1.01 -1.26 -1.14 121.20 122.36 3db0 s ILE 122 Ca -0.05 -0.19 0.01 0.00 0.00 0.00 0.00 60.65 60.43 3db0 s ILE 122 Cb -0.06 -0.88 -0.02 0.00 0.01 0.00 0.00 42.46 41.51 3db0 s ILE 122 CO -0.04 0.33 -0.14 -0.13 0.00 0.00 0.00 174.94 174.96 3db0 s ARG 123 N 1.64 3.04 -0.25 2.79 0.52 0.08 -4.98 118.95 121.79 3db0 s ARG 123 Ca 0.02 -0.70 -0.16 0.00 -0.52 0.00 0.00 55.73 54.38 3db0 s ARG 123 Cb -0.13 -2.52 -0.03 0.00 0.52 0.00 0.00 34.95 32.79 3db0 s ARG 123 CO -0.06 0.36 0.41 0.42 0.02 0.00 0.00 175.30 176.46 3db0 s ILE 124 N -0.05 5.15 0.16 1.52 1.01 -1.26 -0.51 121.20 127.21 3db0 s ILE 124 Ca -0.03 0.68 0.06 0.00 0.00 0.00 0.00 60.65 61.35 3db0 s ILE 124 Cb -0.14 -3.74 -0.04 0.00 0.01 0.00 0.00 42.46 38.55 3db0 s ILE 124 CO 0.04 0.16 0.06 -0.76 0.00 0.00 0.00 174.94 174.44 3db0 s LEU 125 N 1.99 3.57 -1.51 2.97 1.43 0.49 -4.58 118.68 123.05 3db0 s LEU 125 Ca 0.17 -0.24 -0.06 0.00 -1.03 0.00 0.00 54.13 52.98 3db0 s LEU 125 Cb -0.16 -2.21 0.02 0.00 0.03 0.00 0.00 46.19 43.87 3db0 s LEU 125 CO 0.09 0.09 0.67 -3.20 0.23 0.00 0.00 176.35 174.24 3db0 n ASN 126 N -0.13 -5.83 0.00 2.29 5.15 -1.26 -0.98 115.26 114.50 3db0 n ASN 126 Ca -0.09 -0.34 0.15 0.00 -0.60 0.00 0.00 54.58 53.70 3db0 n ASN 126 Cb 0.54 -4.71 0.92 0.00 -0.53 0.00 0.00 39.78 36.01 3db0 n ASN 126 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12