#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a43 h GLU 3 N 0.00 0.73 -0.31 1.57 3.07 -1.96 -2.17 114.58 115.52 3a43 h GLU 3 Ca 0.00 -0.19 0.02 0.00 -0.50 0.00 0.00 59.36 58.68 3a43 h GLU 3 Cb 0.00 -0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 27.80 3a43 h GLU 3 CO 0.00 0.76 0.16 2.35 -1.40 0.00 0.00 179.01 180.88 3a43 h TRP 4 N 0.60 0.31 -0.61 4.33 2.91 -1.94 0.26 115.95 121.80 3a43 h TRP 4 Ca 0.14 0.01 -0.03 0.00 1.13 0.00 0.00 58.89 60.14 3a43 h TRP 4 Cb 0.37 -0.09 -0.03 0.00 -0.51 0.00 0.00 29.16 28.90 3a43 h TRP 4 CO 0.03 0.17 0.27 0.00 -1.03 0.00 0.00 178.44 177.88 3a43 h ALA 5 N 1.15 1.32 -0.20 2.65 0.00 -1.98 0.23 119.26 122.44 3a43 h ALA 5 Ca 0.12 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 3a43 h ALA 5 Cb 0.02 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 3a43 h ALA 5 CO -0.07 0.52 -0.12 1.25 0.00 0.00 0.00 179.25 180.82 3a43 h LEU 6 N 0.87 0.46 -0.79 0.00 6.46 -0.69 -1.74 115.31 119.88 3a43 h LEU 6 Ca 0.21 -0.43 0.01 0.00 -0.12 0.00 0.00 57.88 57.55 3a43 h LEU 6 Cb 0.13 -0.13 -0.04 0.00 -0.73 0.00 0.00 40.66 39.90 3a43 h LEU 6 CO -0.02 0.79 0.52 0.00 -0.62 0.00 0.00 178.44 179.11 3a43 h ALA 7 N 0.68 1.01 -0.96 1.25 0.00 -0.11 -0.44 119.26 120.69 3a43 h ALA 7 Ca 0.04 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.92 3a43 h ALA 7 Cb 0.63 -0.31 -0.05 0.00 0.00 0.00 0.00 17.79 18.06 3a43 h ALA 7 CO 0.03 0.40 0.63 0.22 0.00 0.00 0.00 179.25 180.53 3a43 h ASP 8 N 1.05 1.09 0.02 0.00 3.58 -0.34 0.36 116.42 122.18 3a43 h ASP 8 Ca 0.30 -0.02 -0.15 0.00 0.42 0.00 0.00 57.03 57.57 3a43 h ASP 8 Cb -0.10 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 40.68 3a43 h ASP 8 CO -0.07 0.78 -0.50 0.00 -2.88 0.00 0.00 179.24 176.56 3a43 h ALA 9 N 1.36 0.76 -0.17 -0.78 0.00 -0.43 -0.84 119.26 119.16 3a43 h ALA 9 Ca 0.36 -0.49 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 3a43 h ALA 9 Cb -0.12 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 3a43 h ALA 9 CO -0.09 0.67 -0.07 0.82 0.00 0.00 0.00 179.25 180.59 3a43 h ILE 10 N 0.43 1.30 -0.70 0.00 2.04 -0.53 -1.36 117.51 118.69 3a43 h ILE 10 Ca 0.02 -1.09 0.01 0.00 1.00 0.00 0.00 64.86 64.79 3a43 h ILE 10 Cb 1.03 1.66 -0.03 0.00 -0.74 0.00 0.00 36.82 38.74 3a43 h ILE 10 CO 0.09 0.33 0.46 0.58 0.00 0.00 0.00 178.15 179.61 3a43 h VAL 11 N 0.04 1.18 -0.72 1.67 2.07 -0.25 -0.27 116.25 119.97 3a43 h VAL 11 Ca 0.04 -0.34 -0.02 0.00 0.82 0.00 0.00 66.70 67.20 3a43 h VAL 11 Cb 0.53 0.16 -0.03 0.00 -1.52 0.00 0.00 31.29 30.43 3a43 h VAL 11 CO 0.02 0.18 0.37 -0.09 0.02 0.00 0.00 177.57 178.07 3a43 h ARG 12 N 0.95 1.02 -0.48 1.57 2.43 -1.08 -0.47 114.38 118.33 3a43 h ARG 12 Ca 0.26 -0.13 -0.04 0.00 -0.81 0.00 0.00 59.98 59.25 3a43 h ARG 12 Cb -0.10 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.24 3a43 h ARG 12 CO -0.05 0.78 0.14 1.15 -1.51 0.00 0.00 179.97 180.47 3a43 h THR 13 N 1.00 1.23 0.17 0.20 2.02 -0.67 -0.46 112.91 116.41 3a43 h THR 13 Ca 0.25 -0.78 -0.01 0.00 0.77 0.00 0.00 66.41 66.64 3a43 h THR 13 Cb 0.08 0.83 0.00 0.00 -1.74 0.00 0.00 68.15 67.32 3a43 h THR 13 CO -0.04 0.28 -0.08 0.58 0.37 0.00 0.00 175.52 176.63 3a43 h VAL 14 N 0.64 0.90 -0.53 3.16 2.07 -0.72 -2.71 116.25 119.06 3a43 h VAL 14 Ca 0.15 -0.34 0.01 0.00 0.82 0.00 0.00 66.70 67.35 3a43 h VAL 14 Cb 0.29 1.11 -0.03 0.00 -1.52 0.00 0.00 31.29 31.14 3a43 h VAL 14 CO -0.00 0.08 0.35 -0.07 0.02 0.00 0.00 177.57 177.94 3a43 h LEU 15 N -0.39 0.59 -0.38 2.57 3.38 -1.04 0.67 115.31 120.71 3a43 h LEU 15 Ca -0.02 -0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.01 3a43 h LEU 15 Cb 0.31 -0.15 -0.09 0.00 0.09 0.00 0.00 40.66 40.83 3a43 h LEU 15 CO 0.04 0.43 -0.23 0.44 0.09 0.00 0.00 178.44 179.21 3a43 h ASP 16 N 0.71 -0.77 -0.03 -0.43 3.45 -1.07 -0.09 116.42 118.20 3a43 h ASP 16 Ca 0.20 0.16 -0.00 0.00 0.43 0.00 0.00 57.03 57.81 3a43 h ASP 16 Cb -0.07 0.39 -0.00 0.00 -0.56 0.00 0.00 39.33 39.09 3a43 h ASP 16 CO -0.05 -0.26 0.00 0.22 -1.57 0.00 0.00 179.24 177.59 3a43 h TYR 17 N -0.17 0.05 -0.91 4.55 5.03 -1.11 -1.89 116.97 122.52 3a43 h TYR 17 Ca 0.19 -0.01 0.10 0.00 2.58 0.00 0.00 58.73 61.59 3a43 h TYR 17 Cb 0.46 -0.01 -0.08 0.00 1.55 0.00 0.00 36.73 38.65 3a43 h TYR 17 CO -0.45 0.30 0.55 0.00 -1.32 0.00 0.00 178.16 177.24 3a43 h ALA 18 N 0.74 1.33 -0.12 1.82 0.00 -0.55 -1.30 119.26 121.18 3a43 h ALA 18 Ca 0.01 0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.78 3a43 h ALA 18 Cb 0.28 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3a43 h ALA 18 CO 0.00 0.19 -0.60 1.96 0.00 0.00 0.00 179.25 180.80 3a43 h GLN 19 N 0.91 0.40 -0.60 0.00 4.20 -0.96 -0.26 115.11 118.81 3a43 h GLN 19 Ca 0.44 -0.27 -0.05 0.00 0.06 0.00 0.00 58.65 58.83 3a43 h GLN 19 Cb 0.39 0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.18 3a43 h GLN 19 CO -0.25 0.88 0.17 -0.09 -0.67 0.00 0.00 178.83 178.87 3a43 h ARG 20 N 0.30 0.92 -0.19 1.46 2.43 -0.59 -2.42 114.38 116.29 3a43 h ARG 20 Ca -0.00 -0.19 0.00 0.00 -0.81 0.00 0.00 59.98 58.98 3a43 h ARG 20 Cb 1.13 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.54 3a43 h ARG 20 CO 0.10 0.81 0.00 0.39 -1.51 0.00 0.00 179.97 179.76 3a43 n GLU 21 N -4.27 1.54 -2.53 0.20 -0.58 -0.56 -4.92 120.64 109.53 3a43 n GLU 21 Ca 0.05 -0.83 -0.18 0.00 -0.42 0.00 0.00 57.16 55.77 3a43 n GLU 21 Cb 0.22 -1.27 0.00 0.00 -0.57 0.00 0.00 31.44 29.83 3a43 n GLU 21 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3a43 n GLY 22 N 0.96 -0.35 3.75 0.62 0.00 -0.91 -4.96 105.19 104.29 3a43 n GLY 22 Ca 0.12 -0.10 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 3a43 n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a43 s ALA 23 N -2.95 2.49 -0.04 4.61 0.00 -0.13 -4.78 121.76 120.95 3a43 s ALA 23 Ca 0.09 0.92 0.17 0.00 0.00 0.00 0.00 51.96 53.14 3a43 s ALA 23 Cb -0.04 -3.43 -0.26 0.00 0.00 0.00 0.00 23.12 19.39 3a43 s ALA 23 CO 0.11 -1.25 0.37 -1.13 0.00 0.00 0.00 175.76 173.87 3a43 n SER 24 N -1.83 1.17 -3.52 0.00 3.41 0.13 -4.86 113.62 108.13 3a43 n SER 24 Ca 0.13 -0.02 -0.16 0.00 -0.26 0.00 0.00 58.87 58.56 3a43 n SER 24 Cb 0.50 1.75 -0.06 0.00 -0.26 0.00 0.00 64.21 66.14 3a43 n SER 24 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 3a43 s ARG 25 N -3.15 1.00 -0.30 4.33 3.52 -1.02 -4.88 118.95 118.45 3a43 s ARG 25 Ca -0.06 0.20 -0.04 0.00 -0.13 0.00 0.00 55.73 55.70 3a43 s ARG 25 Cb 0.11 0.47 0.04 0.00 -1.56 0.00 0.00 34.95 34.00 3a43 s ARG 25 CO 0.69 -0.32 0.03 0.08 -0.81 0.00 0.00 175.30 174.97 3a43 s VAL 26 N -1.34 3.30 0.01 7.11 1.01 0.19 -0.75 120.40 129.93 3a43 s VAL 26 Ca -0.09 -1.16 -0.05 0.00 0.00 0.00 0.00 61.98 60.68 3a43 s VAL 26 Cb -0.00 -2.82 -0.29 0.00 0.00 0.00 0.00 36.38 33.27 3a43 s VAL 26 CO 0.07 -0.04 0.88 0.11 0.00 0.00 0.00 175.10 176.11 3a43 h LYS 27 N 8.09 0.29 -2.81 2.72 1.57 -0.89 -3.36 116.57 122.17 3a43 h LYS 27 Ca -0.25 -0.49 -0.09 0.00 -1.87 0.00 0.00 60.65 57.94 3a43 h LYS 27 Cb 1.08 0.18 -0.19 0.00 0.08 0.00 0.00 32.23 33.39 3a43 h LYS 27 CO 0.57 1.17 -0.13 0.00 -0.57 0.00 0.00 179.45 180.49 3a43 s ALA 28 N -2.62 -1.06 -0.05 3.86 0.00 -1.16 -0.91 121.76 119.84 3a43 s ALA 28 Ca -0.09 0.53 -0.02 0.00 0.00 0.00 0.00 51.96 52.38 3a43 s ALA 28 Cb 0.06 0.14 0.03 0.00 0.00 0.00 0.00 23.12 23.35 3a43 s ALA 28 CO 0.86 -0.34 0.10 0.08 0.00 0.00 0.00 175.76 176.46 3a43 s VAL 29 N -1.63 -0.04 -0.19 0.00 1.01 0.16 -1.16 120.40 118.55 3a43 s VAL 29 Ca -0.11 0.14 -0.02 0.00 0.00 0.00 0.00 61.98 62.00 3a43 s VAL 29 Cb -0.03 -0.17 -0.00 0.00 0.00 0.00 0.00 36.38 36.18 3a43 s VAL 29 CO 0.04 0.06 -0.10 -0.60 0.00 0.00 0.00 175.10 174.50 3a43 s ARG 30 N 0.85 3.29 -0.14 2.72 3.52 -0.60 -0.33 118.95 128.26 3a43 s ARG 30 Ca -0.07 -0.68 -0.03 0.00 -0.13 0.00 0.00 55.73 54.82 3a43 s ARG 30 Cb -0.09 -2.83 -0.03 0.00 -1.56 0.00 0.00 34.95 30.44 3a43 s ARG 30 CO -0.04 -0.11 -0.04 0.08 -0.81 0.00 0.00 175.30 174.39 3a43 s VAL 31 N 1.18 3.93 -0.38 7.11 1.01 0.64 0.01 120.40 133.91 3a43 s VAL 31 Ca 0.02 -0.36 -0.10 0.00 0.00 0.00 0.00 61.98 61.54 3a43 s VAL 31 Cb -0.14 -2.70 0.04 0.00 0.00 0.00 0.00 36.38 33.58 3a43 s VAL 31 CO -0.03 0.52 0.21 -0.69 0.00 0.00 0.00 175.10 175.10 3a43 s VAL 32 N 0.07 4.38 -0.24 2.92 1.01 0.16 -1.47 120.40 127.23 3a43 s VAL 32 Ca -0.00 -1.05 -0.12 0.00 0.00 0.00 0.00 61.98 60.80 3a43 s VAL 32 Cb -0.13 -3.51 -0.05 0.00 0.00 0.00 0.00 36.38 32.69 3a43 s VAL 32 CO 0.03 -0.31 0.25 -0.76 0.00 0.00 0.00 175.10 174.31 3a43 s LEU 33 N 1.50 4.10 0.19 3.92 1.43 -0.62 -2.14 118.68 127.06 3a43 s LEU 33 Ca 0.02 0.21 -0.30 0.00 -1.03 0.00 0.00 54.13 53.03 3a43 s LEU 33 Cb -0.20 -2.24 -0.09 0.00 0.03 0.00 0.00 46.19 43.69 3a43 s LEU 33 CO 0.05 -0.01 1.32 -0.83 0.23 0.00 0.00 176.35 177.11 3a43 s GLY 34 N 1.22 2.41 0.32 -3.19 0.00 -0.19 -1.90 107.32 105.98 3a43 s GLY 34 Ca 0.11 1.12 0.09 0.00 0.00 0.00 0.00 44.72 46.05 3a43 s GLY 34 CO 0.07 2.11 1.74 0.83 0.00 0.00 0.00 173.10 177.85 3a43 h GLU 35 N 5.47 0.60 0.00 2.90 4.39 -0.25 0.17 114.58 127.86 3a43 h GLU 35 Ca -0.45 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.22 3a43 h GLU 35 Cb 1.21 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.73 3a43 h GLU 35 CO 0.78 0.40 0.00 -0.07 -1.16 0.00 0.00 179.01 178.96 3a43 h LEU 36 N 0.62 0.00 -9.28 1.33 -0.00 -1.66 -3.42 115.31 102.90 3a43 h LEU 36 Ca 0.63 0.00 -0.55 0.00 -0.00 0.00 0.00 57.88 57.95 3a43 h LEU 36 Cb 1.16 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.80 3a43 h LEU 36 CO -0.44 0.00 0.85 -1.58 -0.00 0.00 0.00 178.44 177.27 3a43 s GLN 37 N -3.40 4.27 -1.55 1.13 2.00 0.60 -4.89 119.66 117.83 3a43 s GLN 37 Ca 0.02 1.84 -0.12 0.00 -2.00 0.00 0.00 55.36 55.10 3a43 s GLN 37 Cb 0.09 -3.67 -0.03 0.00 0.80 0.00 0.00 33.01 30.20 3a43 s GLN 37 CO 0.36 -0.61 2.62 -3.47 -0.50 0.00 0.00 175.29 173.68 3a43 n ASP 38 N 5.88 6.48 -3.91 6.67 2.03 -1.26 -4.87 116.55 127.57 3a43 n ASP 38 Ca 0.13 -2.70 -0.19 0.00 0.52 0.00 0.00 54.79 52.55 3a43 n ASP 38 Cb 0.44 -1.60 -0.16 0.00 -0.72 0.00 0.00 41.12 39.08 3a43 n ASP 38 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 3a43 s VAL 39 N 2.62 0.52 -0.36 5.18 -7.23 -1.26 -5.00 120.40 114.87 3a43 s VAL 39 Ca 0.59 -0.15 -0.29 0.00 -1.81 0.00 0.00 61.98 60.32 3a43 s VAL 39 Cb 0.16 -0.53 0.02 0.00 0.56 0.00 0.00 36.38 36.59 3a43 s VAL 39 CO -0.07 0.21 1.12 0.00 -0.31 0.00 0.00 175.10 176.05 3a43 s ALA 40 N 0.69 3.39 0.55 1.32 0.00 -1.26 -4.91 121.76 121.54 3a43 s ALA 40 Ca -0.09 -0.15 0.23 0.00 0.00 0.00 0.00 51.96 51.95 3a43 s ALA 40 Cb -0.12 -3.75 1.47 0.00 0.00 0.00 0.00 23.12 20.72 3a43 s ALA 40 CO 0.00 -1.73 2.12 1.05 0.00 0.00 0.00 175.76 177.20 3a43 h GLU 41 N 8.56 0.00 -0.05 0.00 4.11 -1.98 -1.82 114.58 123.40 3a43 h GLU 41 Ca -0.22 0.00 -0.15 0.00 0.07 0.00 0.00 59.36 59.06 3a43 h GLU 41 Cb 1.07 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.30 3a43 h GLU 41 CO 1.06 0.00 -0.63 0.38 0.07 0.00 0.00 179.01 179.89 3a43 h ASP 42 N 0.00 0.22 -0.12 3.06 2.03 -1.99 0.91 116.42 120.52 3a43 h ASP 42 Ca 0.08 -0.13 -0.12 0.00 -0.73 0.00 0.00 57.03 56.12 3a43 h ASP 42 Cb 0.34 -0.06 0.00 0.00 -0.83 0.00 0.00 39.33 38.78 3a43 h ASP 42 CO -0.00 0.79 -0.41 0.40 -1.03 0.00 0.00 179.24 178.99 3a43 h ILE 43 N 0.14 1.37 -0.80 4.15 2.04 -1.77 -2.28 117.51 120.35 3a43 h ILE 43 Ca -0.01 -1.71 0.01 0.00 1.00 0.00 0.00 64.86 64.14 3a43 h ILE 43 Cb 1.14 2.11 -0.04 0.00 -0.74 0.00 0.00 36.82 39.30 3a43 h ILE 43 CO 0.09 0.51 0.53 0.58 0.00 0.00 0.00 178.15 179.87 3a43 h VAL 44 N 0.10 1.21 -0.38 1.67 2.07 -1.25 -1.91 116.25 117.75 3a43 h VAL 44 Ca -0.02 -0.37 -0.02 0.00 0.82 0.00 0.00 66.70 67.12 3a43 h VAL 44 Cb 1.03 0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 3a43 h VAL 44 CO 0.09 0.20 0.18 0.50 0.02 0.00 0.00 177.57 178.56 3a43 h LYS 45 N 1.08 0.56 -0.40 1.57 3.64 -0.77 -1.61 116.57 120.64 3a43 h LYS 45 Ca 0.29 -0.08 0.02 0.00 -1.27 0.00 0.00 60.65 59.61 3a43 h LYS 45 Cb -0.13 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 31.57 3a43 h LYS 45 CO -0.06 0.50 0.22 0.35 -2.27 0.00 0.00 179.45 178.19 3a43 h PHE 46 N 0.48 0.42 -0.21 1.91 3.57 -1.18 -1.64 116.94 120.29 3a43 h PHE 46 Ca 0.13 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.64 3a43 h PHE 46 Cb 0.13 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.73 3a43 h PHE 46 CO -0.01 0.24 0.11 0.00 -2.23 0.00 0.00 178.31 176.42 3a43 h ALA 47 N 1.18 0.27 -0.95 2.41 0.00 -1.16 -1.56 119.26 119.46 3a43 h ALA 47 Ca 0.16 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.07 3a43 h ALA 47 Cb 0.03 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 17.66 3a43 h ALA 47 CO -0.08 -0.18 0.60 0.52 0.00 0.00 0.00 179.25 180.10 3a43 h MET 48 N 0.23 1.04 -0.31 0.00 2.86 -1.09 0.87 114.93 118.52 3a43 h MET 48 Ca 0.07 -0.06 -0.11 0.00 -2.06 0.00 0.00 59.70 57.55 3a43 h MET 48 Cb 0.09 -0.23 -0.01 0.00 0.06 0.00 0.00 31.60 31.50 3a43 h MET 48 CO -0.01 0.69 -0.25 0.93 1.06 0.00 0.00 176.91 179.33 3a43 h GLU 49 N 1.07 0.60 0.18 1.72 5.08 -0.97 0.11 114.58 122.37 3a43 h GLU 49 Ca 0.42 -0.24 -0.01 0.00 -1.00 0.00 0.00 59.36 58.53 3a43 h GLU 49 Cb 0.21 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.43 3a43 h GLU 49 CO -0.19 0.80 -0.09 0.37 -1.00 0.00 0.00 179.01 178.91 3a43 h GLN 50 N 0.53 -0.23 0.00 2.33 5.75 -0.37 -2.89 115.11 120.24 3a43 h GLN 50 Ca 0.07 0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.59 3a43 h GLN 50 Cb 0.71 0.05 0.00 0.00 1.07 0.00 0.00 27.48 29.31 3a43 h GLN 50 CO 0.05 0.11 0.00 -0.07 -2.65 0.00 0.00 178.83 176.27 3a43 h LEU 51 N -0.60 0.00 0.00 -2.39 3.38 -0.73 -1.57 115.31 113.40 3a43 h LEU 51 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3a43 h LEU 51 Cb 0.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 3a43 h LEU 51 CO 0.04 0.00 -0.57 -0.26 0.09 0.00 0.00 178.44 177.74 3a43 h PHE 52 N 0.00 0.00 -2.54 1.13 0.05 -0.68 -3.45 116.94 111.44 3a43 h PHE 52 Ca 0.00 0.00 -0.55 0.00 3.82 0.00 0.00 57.97 61.24 3a43 h PHE 52 Cb 0.23 0.00 0.06 0.00 2.00 0.00 0.00 35.95 38.25 3a43 h PHE 52 CO 0.00 0.00 0.90 0.00 -0.18 0.00 0.00 178.31 179.03 3a43 n ALA 53 N -1.88 2.18 0.00 2.45 0.00 -0.59 -1.23 120.51 121.43 3a43 n ALA 53 Ca 0.03 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.89 3a43 n ALA 53 Cb 0.46 -2.44 0.00 0.00 0.00 0.00 0.00 19.45 17.46 3a43 n ALA 53 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3a43 n GLY 54 N 3.57 2.21 4.01 0.00 0.00 -1.26 -5.00 105.19 108.72 3a43 n GLY 54 Ca 0.16 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.96 3a43 n GLY 54 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3a43 s THR 55 N -2.37 2.14 -1.86 2.61 -4.23 -0.37 -4.97 115.64 106.59 3a43 s THR 55 Ca 0.00 -0.80 0.26 0.00 -1.18 0.00 0.00 61.69 59.97 3a43 s THR 55 Cb 0.00 -2.34 0.68 0.00 1.34 0.00 0.00 72.50 72.18 3a43 s THR 55 CO 0.00 0.00 1.91 2.30 -0.54 0.00 0.00 174.62 178.29 3a43 n ILE 56 N -2.54 0.05 0.68 2.99 -5.35 -1.26 -2.17 119.36 111.76 3a43 n ILE 56 Ca 0.15 0.01 0.10 0.00 -0.27 0.00 0.00 62.75 62.75 3a43 n ILE 56 Cb 0.61 -0.60 0.11 0.00 -1.74 0.00 0.00 39.64 38.02 3a43 n ILE 56 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3a43 n ALA 57 N -1.07 2.45 -1.67 -1.28 0.00 -1.26 -0.63 120.51 117.04 3a43 n ALA 57 Ca 0.18 -0.74 -0.45 0.00 0.00 0.00 0.00 53.44 52.43 3a43 n ALA 57 Cb 0.12 -0.70 -0.03 0.00 0.00 0.00 0.00 19.45 18.84 3a43 n ALA 57 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3a43 n GLU 58 N 1.16 2.07 -0.98 0.00 2.13 -0.92 -0.68 120.64 123.42 3a43 n GLU 58 Ca 0.13 0.74 0.00 0.00 0.66 0.00 0.00 57.16 58.69 3a43 n GLU 58 Cb 0.51 -2.44 0.00 0.00 0.27 0.00 0.00 31.44 29.79 3a43 n GLU 58 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3a43 n GLY 59 N 2.56 0.74 3.77 8.31 0.00 -1.26 -4.93 105.19 114.39 3a43 n GLY 59 Ca 0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 3a43 n GLY 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a43 s ALA 60 N -3.04 2.99 -0.16 4.61 0.00 0.14 -4.97 121.76 121.33 3a43 s ALA 60 Ca 0.00 1.02 -0.28 0.00 0.00 0.00 0.00 51.96 52.70 3a43 s ALA 60 Cb 0.00 -3.42 -0.01 0.00 0.00 0.00 0.00 23.12 19.70 3a43 s ALA 60 CO 0.00 -0.76 0.96 -2.00 0.00 0.00 0.00 175.76 173.96 3a43 s GLU 61 N -2.65 4.33 -0.30 0.00 2.56 -0.08 -4.91 118.70 117.64 3a43 s GLU 61 Ca 0.64 1.25 -0.08 0.00 0.00 0.00 0.00 54.97 56.78 3a43 s GLU 61 Cb -0.31 -3.58 0.00 0.00 2.00 0.00 0.00 34.13 32.24 3a43 s GLU 61 CO 0.38 -0.42 0.12 0.42 -0.56 0.00 0.00 175.26 175.20 3a43 s ILE 62 N 2.42 4.29 -0.20 -3.70 1.01 -1.26 -0.66 121.20 123.10 3a43 s ILE 62 Ca 0.44 -0.56 -0.06 0.00 0.00 0.00 0.00 60.65 60.47 3a43 s ILE 62 Cb -0.17 -3.21 -0.03 0.00 0.01 0.00 0.00 42.46 39.07 3a43 s ILE 62 CO 0.12 0.07 0.03 -0.70 0.00 0.00 0.00 174.94 174.46 3a43 s GLU 63 N 1.56 3.71 -0.17 2.79 2.12 0.55 -5.00 118.70 124.26 3a43 s GLU 63 Ca 0.04 -0.47 -0.07 0.00 0.36 0.00 0.00 54.97 54.83 3a43 s GLU 63 Cb -0.17 -3.15 -0.04 0.00 0.26 0.00 0.00 34.13 31.03 3a43 s GLU 63 CO 0.04 0.04 0.05 -0.06 -0.54 0.00 0.00 175.26 174.80 3a43 s PHE 64 N 0.94 3.25 -0.06 5.30 0.40 -1.26 -0.26 117.98 126.30 3a43 s PHE 64 Ca 0.02 0.09 0.03 0.00 -0.60 0.00 0.00 56.93 56.47 3a43 s PHE 64 Cb -0.14 -2.03 0.01 0.00 0.51 0.00 0.00 43.02 41.37 3a43 s PHE 64 CO 0.02 0.21 -0.13 0.08 0.70 0.00 0.00 175.22 176.10 3a43 s VAL 65 N 0.14 1.19 -0.18 -0.44 1.01 -0.54 -4.97 120.40 116.61 3a43 s VAL 65 Ca 0.04 -0.53 -0.11 0.00 0.00 0.00 0.00 61.98 61.38 3a43 s VAL 65 Cb -0.12 -1.06 -0.05 0.00 0.00 0.00 0.00 36.38 35.14 3a43 s VAL 65 CO 0.01 0.36 0.17 -0.70 0.00 0.00 0.00 175.10 174.94 3a43 s GLU 66 N 0.46 4.13 -0.53 2.72 2.12 -1.26 -1.60 118.70 124.75 3a43 s GLU 66 Ca -0.11 -0.13 -0.16 0.00 0.36 0.00 0.00 54.97 54.93 3a43 s GLU 66 Cb -0.14 -3.40 0.13 0.00 0.26 0.00 0.00 34.13 30.98 3a43 s GLU 66 CO 0.03 0.34 0.49 -2.00 -0.54 0.00 0.00 175.26 173.57 3a43 s GLU 67 N 0.24 2.97 0.58 4.30 2.12 -0.80 -4.95 118.70 123.15 3a43 s GLU 67 Ca 0.11 -1.68 -0.19 0.00 0.36 0.00 0.00 54.97 53.57 3a43 s GLU 67 Cb -0.12 -4.27 -0.04 0.00 0.26 0.00 0.00 34.13 29.96 3a43 s GLU 67 CO 0.00 -1.30 1.16 -2.00 -0.54 0.00 0.00 175.26 172.58 3a43 s GLU 68 N 1.59 3.13 0.60 4.30 2.56 -1.26 -1.87 118.70 127.75 3a43 s GLU 68 Ca 0.03 1.67 -0.19 0.00 0.00 0.00 0.00 54.97 56.48 3a43 s GLU 68 Cb -0.29 -1.97 -0.03 0.00 2.00 0.00 0.00 34.13 33.84 3a43 s GLU 68 CO 0.03 -1.04 1.27 0.00 -0.56 0.00 0.00 175.26 174.96 3a43 s ALA 69 N -1.77 2.55 -0.19 6.30 0.00 -1.25 -4.37 121.76 123.03 3a43 s ALA 69 Ca 0.74 1.16 -0.04 0.00 0.00 0.00 0.00 51.96 53.81 3a43 s ALA 69 Cb -0.26 -3.51 0.10 0.00 0.00 0.00 0.00 23.12 19.44 3a43 s ALA 69 CO 0.31 -1.36 0.31 0.14 0.00 0.00 0.00 175.76 175.16 3a43 s VAL 70 N -1.45 -0.49 0.03 0.00 -7.23 -0.70 -3.89 120.40 106.67 3a43 s VAL 70 Ca 0.78 0.07 0.00 0.00 -1.81 0.00 0.00 61.98 61.03 3a43 s VAL 70 Cb -0.35 -0.64 -0.04 0.00 0.56 0.00 0.00 36.38 35.91 3a43 s VAL 70 CO 0.39 -0.03 0.11 -0.36 -0.31 0.00 0.00 175.10 174.89 3a43 s PHE 71 N 2.47 3.31 -0.16 2.82 0.40 -0.03 -1.92 117.98 124.87 3a43 s PHE 71 Ca 0.05 0.19 -0.04 0.00 -0.60 0.00 0.00 56.93 56.53 3a43 s PHE 71 Cb -0.14 -1.71 0.06 0.00 0.51 0.00 0.00 43.02 41.73 3a43 s PHE 71 CO -0.12 0.56 0.07 0.15 0.70 0.00 0.00 175.22 176.57 3a43 s LYS 72 N -2.05 0.23 0.63 0.44 1.02 -1.01 0.57 119.74 119.59 3a43 s LYS 72 Ca 0.27 -0.12 -0.17 0.00 0.02 0.00 0.00 55.97 55.96 3a43 s LYS 72 Cb -0.12 -1.76 -0.01 0.00 -0.52 0.00 0.00 37.83 35.42 3a43 s LYS 72 CO 0.19 -0.62 1.18 0.00 -0.92 0.00 0.00 175.35 175.18 3a43 n ARG 74 N -1.99 2.81 0.00 0.00 5.12 -1.14 -2.94 116.66 118.52 3a43 n ARG 74 Ca 0.13 -3.44 0.00 0.00 -1.93 0.00 0.00 57.85 52.61 3a43 n ARG 74 Cb 0.50 -2.29 0.00 0.00 -1.16 0.00 0.00 32.46 29.52 3a43 n ARG 74 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 3a43 n ASN 75 N -0.83 0.00 -0.08 0.55 3.02 -1.26 -4.92 115.26 111.74 3a43 n ASN 75 Ca 0.59 -0.63 0.00 0.00 -0.03 0.00 0.00 54.58 54.51 3a43 n ASN 75 Cb 0.63 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.80 3a43 n ASN 75 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3a43 n ASN 77 N 0.00 -1.22 -4.77 0.00 5.15 -1.15 -4.86 115.26 108.40 3a43 n ASN 77 Ca 0.00 0.00 -0.41 0.00 -0.60 0.00 0.00 54.58 53.57 3a43 n ASN 77 Cb 0.50 -1.98 -0.01 0.00 -0.53 0.00 0.00 39.78 37.76 3a43 n ASN 77 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 3a43 s TYR 78 N -0.69 2.86 -0.05 1.20 5.04 -1.26 -4.64 117.35 119.82 3a43 s TYR 78 Ca 0.00 1.23 0.04 0.00 -2.44 0.00 0.00 57.07 55.90 3a43 s TYR 78 Cb 0.00 -3.85 -0.00 0.00 0.35 0.00 0.00 41.96 38.46 3a43 s TYR 78 CO 0.00 -2.49 -0.16 -1.83 -1.34 0.00 0.00 175.55 169.73 3a43 s GLU 79 N -1.60 1.72 -0.05 4.97 1.03 -1.25 0.85 118.70 124.38 3a43 s GLU 79 Ca 0.53 -0.56 0.01 0.00 0.03 0.00 0.00 54.97 54.98 3a43 s GLU 79 Cb -0.43 -1.48 0.02 0.00 -0.80 0.00 0.00 34.13 31.44 3a43 s GLU 79 CO 0.55 0.20 -0.04 1.67 -1.33 0.00 0.00 175.26 176.31 3a43 s TRP 80 N 0.15 0.73 -0.71 4.83 1.48 0.19 -4.91 118.94 120.70 3a43 s TRP 80 Ca -0.06 -0.20 -0.25 0.00 -1.06 0.00 0.00 56.10 54.54 3a43 s TRP 80 Cb -0.12 -0.68 0.05 0.00 -1.16 0.00 0.00 33.47 31.56 3a43 s TRP 80 CO 0.02 -0.21 1.13 0.21 -4.06 0.00 0.00 176.95 174.04 3a43 s LYS 81 N 1.08 3.16 -0.39 3.25 2.20 -1.26 -0.85 119.74 126.93 3a43 s LYS 81 Ca -0.09 -0.56 -0.36 0.00 -0.36 0.00 0.00 55.97 54.61 3a43 s LYS 81 Cb -0.14 -4.23 -0.15 0.00 -1.51 0.00 0.00 37.83 31.79 3a43 s LYS 81 CO -0.01 -1.99 1.34 -0.11 -0.36 0.00 0.00 175.35 174.22 3a43 n LEU 82 N 8.55 0.86 0.00 5.43 0.00 -1.25 -4.68 117.00 125.91 3a43 n LEU 82 Ca 0.01 0.84 0.00 0.00 0.00 0.00 0.00 56.01 56.85 3a43 n LEU 82 Cb 0.47 -0.69 0.00 0.00 0.00 0.00 0.00 43.42 43.20 3a43 n LEU 82 CO 0.67 -0.64 0.00 2.29 0.00 0.00 0.00 177.39 179.71 3a43 n LYS 83 N 3.73 0.00 -1.59 1.96 2.85 -1.26 -4.93 118.16 118.92 3a43 n LYS 83 Ca 0.28 0.00 -0.42 0.00 -1.05 0.00 0.00 58.31 57.12 3a43 n LYS 83 Cb -0.04 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.34 3a43 n LYS 83 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 177.40 176.50 3a43 n GLU 84 N 0.00 1.28 -0.03 -1.58 0.28 -1.26 -4.93 120.64 114.40 3a43 n GLU 84 Ca 0.00 0.46 -0.10 0.00 -0.16 0.00 0.00 57.16 57.35 3a43 n GLU 84 Cb 0.00 -1.93 0.04 0.00 1.43 0.00 0.00 31.44 30.98 3a43 n GLU 84 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 177.13 176.73 3a43 h VAL 85 N 1.62 1.30 0.00 3.84 3.04 -2.01 -3.56 116.25 120.49 3a43 h VAL 85 Ca -0.42 -1.71 0.00 0.00 -1.01 0.00 0.00 66.70 63.56 3a43 h VAL 85 Cb 1.34 1.65 0.00 0.00 -2.01 0.00 0.00 31.29 32.28 3a43 h VAL 85 CO 0.58 0.54 0.00 2.29 -1.01 0.00 0.00 177.57 179.97 3a43 n LYS 86 N -3.99 0.00 -1.78 4.17 -0.00 -1.26 -5.35 118.16 109.94 3a43 n LYS 86 Ca -0.03 0.00 -0.33 0.00 -0.00 0.00 0.00 58.31 57.95 3a43 n LYS 86 Cb 0.58 -0.07 -0.03 0.00 -0.00 0.00 0.00 35.03 35.52 3a43 n LYS 86 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 3a43 n LEU 108 N -2.72 7.14 -4.31 -5.58 4.77 -1.26 -5.25 117.00 109.79 3a43 n LEU 108 Ca 0.00 -4.50 -0.32 0.00 -0.03 0.00 0.00 56.01 51.16 3a43 n LEU 108 Cb 0.00 -1.25 -0.16 0.00 -2.33 0.00 0.00 43.42 39.68 3a43 n LEU 108 CO 0.00 1.86 -0.54 0.00 -1.33 0.00 0.00 177.39 177.38 3a43 s ALA 109 N -1.99 2.26 1.01 -1.18 0.00 -1.26 -4.79 121.76 115.80 3a43 s ALA 109 Ca 0.55 -1.05 -0.12 0.00 0.00 0.00 0.00 51.96 51.34 3a43 s ALA 109 Cb 0.31 -0.71 0.16 0.00 0.00 0.00 0.00 23.12 22.88 3a43 s ALA 109 CO -0.20 0.46 0.87 0.00 0.00 0.00 0.00 175.76 176.89 3a43 n PRO 111 N -3.75 2.45 0.00 0.00 -0.05 -1.26 -4.06 135.00 128.33 3a43 n PRO 111 Ca 0.08 -3.64 0.00 0.00 -0.05 0.00 0.00 63.50 59.89 3a43 n PRO 111 Cb 0.54 -1.79 0.00 0.00 -0.05 0.00 0.00 33.50 32.19 3a43 n PRO 111 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 175.50 176.62 3a43 n LYS 112 N -0.70 0.09 0.00 0.54 3.00 -1.26 -4.93 118.16 114.90 3a43 n LYS 112 Ca 0.28 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.59 3a43 n LYS 112 Cb 0.88 -0.54 0.00 0.00 0.00 0.00 0.00 35.03 35.37 3a43 n LYS 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3a43 n GLY 114 N 2.70 -0.44 0.00 0.00 0.00 -1.26 -5.05 105.19 101.15 3a43 n GLY 114 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3a43 n GLY 114 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3a43 n SER 115 N 0.00 0.00 -4.63 1.61 2.88 -1.26 -4.36 113.62 107.86 3a43 n SER 115 Ca 0.00 -0.81 -0.35 0.00 -1.33 0.00 0.00 58.87 56.38 3a43 n SER 115 Cb 0.00 0.00 0.10 0.00 -0.75 0.00 0.00 64.21 63.56 3a43 n SER 115 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3a43 n HIS 116 N 0.00 0.74 -1.35 0.66 1.44 -1.26 -3.79 115.22 111.65 3a43 n HIS 116 Ca 0.00 0.39 0.00 0.00 -2.01 0.00 0.00 57.72 56.10 3a43 n HIS 116 Cb 0.00 -2.08 0.00 0.00 0.12 0.00 0.00 29.99 28.03 3a43 n HIS 116 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 3a43 n ASP 117 N -2.08 -1.80 -4.20 4.39 8.00 -1.26 -4.96 116.55 114.64 3a43 n ASP 117 Ca 0.13 0.00 -0.22 0.00 0.71 0.00 0.00 54.79 55.41 3a43 n ASP 117 Cb 0.50 -0.90 -0.13 0.00 -0.02 0.00 0.00 41.12 40.57 3a43 n ASP 117 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 3a43 s PHE 118 N -0.83 1.46 -0.40 1.24 -0.12 -1.26 -2.89 117.98 115.18 3a43 s PHE 118 Ca 0.00 -0.38 -0.19 0.00 -0.05 0.00 0.00 56.93 56.30 3a43 s PHE 118 Cb 0.00 -0.85 0.01 0.00 -0.63 0.00 0.00 43.02 41.55 3a43 s PHE 118 CO 0.00 0.08 0.56 -1.83 -0.05 0.00 0.00 175.22 173.98 3a43 s GLU 119 N -1.36 3.38 0.21 1.99 4.04 0.44 -4.90 118.70 122.50 3a43 s GLU 119 Ca 0.03 -0.35 -0.32 0.00 0.04 0.00 0.00 54.97 54.37 3a43 s GLU 119 Cb -0.09 -3.90 -0.12 0.00 0.02 0.00 0.00 34.13 30.04 3a43 s GLU 119 CO 0.02 -0.84 1.72 1.55 -1.84 0.00 0.00 175.26 175.87 3a43 n VAL 120 N 5.62 0.01 0.00 1.83 3.14 -1.26 -2.39 118.33 125.27 3a43 n VAL 120 Ca -0.04 -0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.34 3a43 n VAL 120 Cb 0.48 -1.98 0.00 0.00 -1.06 0.00 0.00 33.84 31.28 3a43 n VAL 120 CO 0.00 0.00 0.00 0.52 -6.46 0.00 0.00 176.83 170.89 3a43 n VAL 121 N 3.98 0.00 -4.07 1.55 0.31 -0.81 -4.95 118.33 114.34 3a43 n VAL 121 Ca 0.16 0.00 -0.33 0.00 -0.01 0.00 0.00 64.34 64.16 3a43 n VAL 121 Cb 0.35 -0.72 -0.15 0.00 -0.91 0.00 0.00 33.84 32.41 3a43 n VAL 121 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 3a43 s LYS 122 N 0.00 2.61 0.00 5.55 1.02 -1.23 -4.86 119.74 122.83 3a43 s LYS 122 Ca 0.00 -1.10 0.00 0.00 0.02 0.00 0.00 55.97 54.89 3a43 s LYS 122 Cb 0.00 -2.78 0.00 0.00 -0.52 0.00 0.00 37.83 34.53 3a43 s LYS 122 CO 0.00 -0.41 0.00 0.41 -0.92 0.00 0.00 175.35 174.43 3a43 n GLY 123 N 4.54 0.00 3.46 -3.33 0.00 -1.26 -1.72 105.19 106.88 3a43 n GLY 123 Ca -0.17 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.62 3a43 n GLY 123 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3a43 s ARG 124 N 0.00 1.63 0.00 1.61 1.70 -1.26 -0.86 118.95 121.78 3a43 s ARG 124 Ca 0.00 -1.78 0.00 0.00 -0.47 0.00 0.00 55.73 53.48 3a43 s ARG 124 Cb 0.00 -1.56 0.00 0.00 -0.57 0.00 0.00 34.95 32.82 3a43 s ARG 124 CO 0.00 0.22 0.00 0.41 -1.08 0.00 0.00 175.30 174.85 3a43 n GLY 125 N -0.61 2.20 3.05 3.88 0.00 -1.26 -4.79 105.19 107.65 3a43 n GLY 125 Ca -0.06 -1.97 -0.14 0.00 0.00 0.00 0.00 46.02 43.86 3a43 n GLY 125 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3a43 s VAL 126 N -2.62 0.55 0.16 1.61 1.01 -1.26 -1.03 120.40 118.82 3a43 s VAL 126 Ca 0.00 -0.94 -0.23 0.00 0.00 0.00 0.00 61.98 60.82 3a43 s VAL 126 Cb 0.00 -0.59 0.07 0.00 0.00 0.00 0.00 36.38 35.86 3a43 s VAL 126 CO 0.00 -0.28 0.59 -0.72 0.00 0.00 0.00 175.10 174.69 3a43 s TYR 127 N -1.14 -0.53 -0.37 5.22 -0.85 -0.91 -5.02 117.35 113.76 3a43 s TYR 127 Ca -0.07 0.31 -0.13 0.00 -0.52 0.00 0.00 57.07 56.66 3a43 s TYR 127 Cb -0.09 0.55 -0.00 0.00 0.38 0.00 0.00 41.96 42.80 3a43 s TYR 127 CO 0.00 -0.84 0.26 0.08 -1.52 0.00 0.00 175.55 173.53 3a43 s VAL 128 N -3.75 5.23 0.05 -3.49 1.01 -1.26 0.38 120.40 118.57 3a43 s VAL 128 Ca 0.01 -0.41 -0.32 0.00 0.00 0.00 0.00 61.98 61.27 3a43 s VAL 128 Cb -0.01 -3.78 -0.18 0.00 0.00 0.00 0.00 36.38 32.41 3a43 s VAL 128 CO -0.13 -0.12 1.45 0.00 0.00 0.00 0.00 175.10 176.29 3a43 h ALA 129 N 8.54 -0.95 -2.63 5.51 0.00 -0.75 -3.47 119.26 125.50 3a43 h ALA 129 Ca -0.30 -0.22 -0.13 0.00 0.00 0.00 0.00 54.91 54.27 3a43 h ALA 129 Cb 1.14 0.37 -0.18 0.00 0.00 0.00 0.00 17.79 19.11 3a43 h ALA 129 CO 0.67 -0.98 -0.47 0.20 0.00 0.00 0.00 179.25 178.67 3a43 s GLY 130 N -2.22 0.08 -0.07 0.00 0.00 -1.23 -4.99 107.32 98.89 3a43 s GLY 130 Ca -0.17 -0.32 -0.01 0.00 0.00 0.00 0.00 44.72 44.21 3a43 s GLY 130 CO 0.56 -0.47 0.00 -0.42 0.00 0.00 0.00 173.10 172.77 3a43 s ILE 131 N -2.20 0.38 -0.32 0.90 1.01 -1.26 -1.56 121.20 118.15 3a43 s ILE 131 Ca -0.08 0.11 -0.12 0.00 0.00 0.00 0.00 60.65 60.55 3a43 s ILE 131 Cb -0.03 -0.54 -0.03 0.00 0.01 0.00 0.00 42.46 41.86 3a43 s ILE 131 CO -0.02 0.25 0.23 -0.54 0.00 0.00 0.00 174.94 174.85 3a43 s LYS 132 N 1.97 3.66 0.31 2.79 -0.14 -0.30 -4.98 119.74 123.05 3a43 s LYS 132 Ca 0.05 -0.51 0.09 0.00 -1.36 0.00 0.00 55.97 54.23 3a43 s LYS 132 Cb -0.12 -3.75 -0.04 0.00 -1.68 0.00 0.00 37.83 32.23 3a43 s LYS 132 CO -0.05 -0.35 0.06 0.96 -0.76 0.00 0.00 175.35 175.20 3a43 s ILE 133 N 1.75 3.12 0.03 2.17 -4.36 -1.26 -0.20 121.20 122.45 3a43 s ILE 133 Ca 0.07 -1.83 0.05 0.00 -0.26 0.00 0.00 60.65 58.68 3a43 s ILE 133 Cb -0.17 -2.89 -0.02 0.00 1.25 0.00 0.00 42.46 40.63 3a43 s ILE 133 CO 0.11 -0.26 -0.16 -0.70 0.24 0.00 0.00 174.94 174.17 3a43 s GLU 134 N -3.75 1.10 -0.07 0.37 2.12 0.07 -4.87 118.70 113.66 3a43 s GLU 134 Ca 0.35 -0.75 0.00 0.00 0.36 0.00 0.00 54.97 54.93 3a43 s GLU 134 Cb -0.04 -1.13 0.02 0.00 0.26 0.00 0.00 34.13 33.25 3a43 s GLU 134 CO 0.21 0.29 -0.05 0.15 -0.54 0.00 0.00 175.26 175.32 3a43 s LYS 135 N -0.97 1.05 -0.20 4.30 1.02 -1.26 0.21 119.74 123.89 3a43 s LYS 135 Ca 0.04 -0.12 -0.29 0.00 0.02 0.00 0.00 55.97 55.62 3a43 s LYS 135 Cb -0.08 -1.15 0.01 0.00 -0.52 0.00 0.00 37.83 36.09 3a43 s LYS 135 CO 0.01 -0.19 1.03 -1.83 -0.92 0.00 0.00 175.35 173.46 3a43 s GLU 136 N 1.42 4.29 0.00 1.68 -1.05 -1.26 -4.92 118.70 118.87 3a43 s GLU 136 Ca -0.02 1.37 0.00 0.00 -0.15 0.00 0.00 54.97 56.16 3a43 s GLU 136 Cb -0.13 -3.62 0.00 0.00 -0.44 0.00 0.00 34.13 29.94 3a43 s GLU 136 CO -0.03 -0.56 0.00 0.41 0.95 0.00 0.00 175.26 176.02 3a43 n GLY 137 N 3.27 1.61 0.00 -3.83 0.00 -1.26 -5.01 105.19 99.97 3a43 n GLY 137 Ca 0.11 -1.67 0.00 0.00 0.00 0.00 0.00 46.02 44.46 3a43 n GLY 137 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a43 n GLY 138 N -1.72 3.86 0.04 -0.02 0.00 -1.26 -5.27 105.19 100.81 3a43 n GLY 138 Ca 0.00 -1.17 0.16 0.00 0.00 0.00 0.00 46.02 45.01 3a43 n GLY 138 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06