#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j42 n LYS 4 N 0.00 0.94 -4.76 -1.46 4.01 -1.26 -4.79 118.16 110.83 1j42 n LYS 4 Ca 0.00 0.35 -0.25 0.00 -0.51 0.00 0.00 58.31 57.90 1j42 n LYS 4 Cb 0.00 -1.96 -0.16 0.00 -0.51 0.00 0.00 35.03 32.40 1j42 n LYS 4 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 1j42 s ARG 5 N -2.25 1.57 -0.05 1.97 0.52 -1.26 -1.21 118.95 118.25 1j42 s ARG 5 Ca 0.69 -0.56 0.05 0.00 -0.52 0.00 0.00 55.73 55.39 1j42 s ARG 5 Cb -0.49 -1.40 -0.01 0.00 0.52 0.00 0.00 34.95 33.57 1j42 s ARG 5 CO 0.53 0.25 -0.21 0.00 0.02 0.00 0.00 175.30 175.89 1j42 s ALA 6 N -0.04 1.83 -0.21 2.13 0.00 0.11 -0.84 121.76 124.73 1j42 s ALA 6 Ca -0.01 -0.87 -0.04 0.00 0.00 0.00 0.00 51.96 51.03 1j42 s ALA 6 Cb -0.10 -0.57 -0.02 0.00 0.00 0.00 0.00 23.12 22.44 1j42 s ALA 6 CO 0.01 0.36 -0.02 -1.17 0.00 0.00 0.00 175.76 174.94 1j42 s LEU 7 N -0.11 3.05 -0.22 0.00 1.98 0.17 -0.47 118.68 123.07 1j42 s LEU 7 Ca -0.02 -0.31 0.00 0.00 -2.89 0.00 0.00 54.13 50.91 1j42 s LEU 7 Cb -0.12 -1.78 0.03 0.00 0.66 0.00 0.00 46.19 44.98 1j42 s LEU 7 CO 0.02 0.01 -0.12 -0.69 -1.89 0.00 0.00 176.35 173.69 1j42 s VAL 8 N 1.30 2.46 -0.35 1.68 1.01 -0.15 -0.77 120.40 125.57 1j42 s VAL 8 Ca 0.04 -1.09 -0.21 0.00 0.00 0.00 0.00 61.98 60.72 1j42 s VAL 8 Cb -0.14 -2.21 0.00 0.00 0.00 0.00 0.00 36.38 34.03 1j42 s VAL 8 CO -0.01 0.29 0.65 -0.63 0.00 0.00 0.00 175.10 175.40 1j42 s ILE 9 N 1.27 4.89 -0.31 2.22 1.01 -1.19 -0.78 121.20 128.31 1j42 s ILE 9 Ca 0.00 0.65 -0.07 0.00 0.00 0.00 0.00 60.65 61.24 1j42 s ILE 9 Cb -0.16 -4.07 0.02 0.00 0.01 0.00 0.00 42.46 38.25 1j42 s ILE 9 CO -0.08 -0.30 0.09 -0.22 0.00 0.00 0.00 174.94 174.43 1j42 s LEU 10 N 2.72 3.96 0.15 2.97 1.98 -0.09 -4.43 118.68 125.94 1j42 s LEU 10 Ca 0.25 -0.82 0.07 0.00 -2.89 0.00 0.00 54.13 50.74 1j42 s LEU 10 Cb -0.14 -1.87 -0.04 0.00 0.66 0.00 0.00 46.19 44.79 1j42 s LEU 10 CO 0.14 -0.23 -0.05 0.00 -1.89 0.00 0.00 176.35 174.33 1j42 s ALA 11 N 1.47 3.10 0.78 5.97 0.00 -1.26 -0.50 121.76 131.32 1j42 s ALA 11 Ca 0.01 -1.33 -0.14 0.00 0.00 0.00 0.00 51.96 50.51 1j42 s ALA 11 Cb -0.18 -0.94 0.07 0.00 0.00 0.00 0.00 23.12 22.07 1j42 s ALA 11 CO 0.02 0.55 1.21 -1.59 0.00 0.00 0.00 175.76 175.95 1j42 s LYS 12 N -2.66 1.82 0.00 0.00 -2.85 -1.26 -1.66 119.74 113.13 1j42 s LYS 12 Ca 0.25 1.78 0.00 0.00 -1.00 0.00 0.00 55.97 57.01 1j42 s LYS 12 Cb -0.10 -1.79 0.00 0.00 -2.06 0.00 0.00 37.83 33.88 1j42 s LYS 12 CO 0.17 -2.08 0.00 0.41 0.10 0.00 0.00 175.35 173.94 1j42 n GLY 13 N 0.49 1.93 3.76 0.59 0.00 -0.82 -3.29 105.19 107.85 1j42 n GLY 13 Ca 0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 1j42 n GLY 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j42 s ALA 14 N -2.61 2.92 -0.33 4.61 0.00 -0.67 -2.81 121.76 122.87 1j42 s ALA 14 Ca 0.00 1.24 -0.29 0.00 0.00 0.00 0.00 51.96 52.91 1j42 s ALA 14 Cb 0.00 -3.52 0.01 0.00 0.00 0.00 0.00 23.12 19.61 1j42 s ALA 14 CO 0.00 -1.14 1.23 -2.00 0.00 0.00 0.00 175.76 173.85 1j42 s GLU 15 N -2.77 3.92 0.14 0.00 -6.30 -0.60 -1.12 118.70 111.97 1j42 s GLU 15 Ca 0.68 1.12 -0.30 0.00 -2.50 0.00 0.00 54.97 53.97 1j42 s GLU 15 Cb -0.37 -3.85 -0.05 0.00 0.00 0.00 0.00 34.13 29.85 1j42 s GLU 15 CO 0.45 -1.10 1.56 0.93 0.02 0.00 0.00 175.26 177.12 1j42 h GLU 16 N 9.01 -0.36 -0.92 4.30 3.07 -1.92 -1.24 114.58 126.52 1j42 h GLU 16 Ca -0.24 0.02 0.08 0.00 -0.50 0.00 0.00 59.36 58.72 1j42 h GLU 16 Cb 1.08 0.08 -0.07 0.00 -0.84 0.00 0.00 28.75 29.01 1j42 h GLU 16 CO 1.04 -0.24 0.58 0.52 -1.40 0.00 0.00 179.01 179.51 1j42 h MET 17 N -0.38 0.97 0.00 2.33 2.86 -1.99 0.65 114.93 119.38 1j42 h MET 17 Ca 0.10 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 1j42 h MET 17 Cb 0.60 -0.22 0.00 0.00 0.06 0.00 0.00 31.60 32.04 1j42 h MET 17 CO -0.57 0.64 0.00 0.93 1.06 0.00 0.00 176.91 178.97 1j42 h GLU 18 N 1.00 0.00 0.01 1.72 5.08 -1.70 -1.87 114.58 118.83 1j42 h GLU 18 Ca 0.42 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 58.44 1j42 h GLU 18 Cb 0.27 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.47 1j42 h GLU 18 CO -0.21 0.00 -1.88 0.25 -1.00 0.00 0.00 179.01 176.18 1j42 n THR 19 N -2.97 1.56 -0.20 1.13 -2.24 -0.54 -4.36 114.28 106.66 1j42 n THR 19 Ca 0.01 -0.26 -0.09 0.00 -2.27 0.00 0.00 64.05 61.44 1j42 n THR 19 Cb 0.32 -1.91 0.02 0.00 -2.10 0.00 0.00 70.33 66.66 1j42 n THR 19 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1j42 h VAL 20 N -0.81 1.26 -0.46 2.28 2.07 -0.95 -2.80 116.25 116.83 1j42 h VAL 20 Ca -0.50 -1.02 0.02 0.00 0.82 0.00 0.00 66.70 66.01 1j42 h VAL 20 Cb 1.53 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 32.10 1j42 h VAL 20 CO -0.25 0.37 0.28 0.40 0.02 0.00 0.00 177.57 178.40 1j42 h ILE 21 N 0.84 1.06 -0.13 4.57 2.04 -1.56 0.13 117.51 124.46 1j42 h ILE 21 Ca 0.17 -0.19 -0.17 0.00 1.00 0.00 0.00 64.86 65.66 1j42 h ILE 21 Cb 0.46 0.45 -0.00 0.00 -0.74 0.00 0.00 36.82 36.98 1j42 h ILE 21 CO 0.02 0.10 -0.64 -0.65 0.00 0.00 0.00 178.15 176.98 1j42 h PRO 22 N 0.57 0.49 -0.23 2.37 0.11 -1.76 -0.61 132.00 132.93 1j42 h PRO 22 Ca 0.18 -0.35 -0.03 0.00 0.11 0.00 0.00 66.00 65.91 1j42 h PRO 22 Cb -0.00 0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.16 1j42 h PRO 22 CO -0.07 0.97 0.02 0.28 -0.21 0.00 0.00 178.00 178.99 1j42 h VAL 23 N 0.35 1.24 0.63 3.15 2.07 -1.26 0.10 116.25 122.54 1j42 h VAL 23 Ca -0.01 -0.81 -0.03 0.00 0.82 0.00 0.00 66.70 66.67 1j42 h VAL 23 Cb 1.20 1.32 0.01 0.00 -1.52 0.00 0.00 31.29 32.30 1j42 h VAL 23 CO 0.12 0.25 -0.30 -0.78 0.02 0.00 0.00 177.57 176.87 1j42 h ASP 24 N 0.18 -0.72 0.19 0.57 1.82 -0.75 -1.19 116.42 116.52 1j42 h ASP 24 Ca 0.07 0.02 0.01 0.00 -0.39 0.00 0.00 57.03 56.74 1j42 h ASP 24 Cb 0.35 0.19 -0.03 0.00 0.68 0.00 0.00 39.33 40.51 1j42 h ASP 24 CO 0.01 -0.50 -0.33 0.58 -1.61 0.00 0.00 179.24 177.39 1j42 h VAL 25 N -0.88 0.30 -0.87 2.25 2.07 -1.09 -0.73 116.25 117.30 1j42 h VAL 25 Ca -0.09 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.53 1j42 h VAL 25 Cb 0.66 0.30 -0.06 0.00 -1.52 0.00 0.00 31.29 30.67 1j42 h VAL 25 CO 0.14 0.00 0.56 0.24 0.02 0.00 0.00 177.57 178.53 1j42 h MET 26 N -0.60 0.83 -0.04 1.57 2.86 -0.80 0.37 114.93 119.11 1j42 h MET 26 Ca 0.01 -0.05 -0.10 0.00 -2.06 0.00 0.00 59.70 57.50 1j42 h MET 26 Cb 0.60 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 32.06 1j42 h MET 26 CO -0.15 0.55 -0.45 0.00 1.06 0.00 0.00 176.91 177.92 1j42 h ARG 27 N 0.86 0.10 0.00 1.72 3.08 -0.64 -1.43 114.38 118.06 1j42 h ARG 27 Ca 0.40 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.38 1j42 h ARG 27 Cb 0.40 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.45 1j42 h ARG 27 CO -0.16 0.53 -0.08 0.00 -1.07 0.00 0.00 179.97 179.18 1j42 h ARG 28 N 0.08 0.00 -0.41 0.04 3.08 0.55 -1.75 114.38 115.98 1j42 h ARG 28 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1j42 h ARG 28 Cb 0.83 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.88 1j42 h ARG 28 CO 0.06 0.08 0.00 0.00 -1.07 0.00 0.00 179.97 179.05 1j42 n ALA 29 N -2.20 2.44 -1.18 0.04 0.00 -0.56 -4.92 120.51 114.13 1j42 n ALA 29 Ca -0.01 -0.72 -0.06 0.00 0.00 0.00 0.00 53.44 52.65 1j42 n ALA 29 Cb 0.24 -0.97 -0.03 0.00 0.00 0.00 0.00 19.45 18.69 1j42 n ALA 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1j42 n GLY 30 N 1.16 0.86 3.74 0.00 0.00 -0.66 -5.02 105.19 105.28 1j42 n GLY 30 Ca 0.14 -0.67 -0.35 0.00 0.00 0.00 0.00 46.02 45.14 1j42 n GLY 30 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1j42 s ILE 31 N -2.20 5.42 -0.29 -0.61 -5.25 -1.06 -4.69 121.20 112.53 1j42 s ILE 31 Ca 0.00 0.19 -0.29 0.00 -0.99 0.00 0.00 60.65 59.56 1j42 s ILE 31 Cb 0.00 -3.46 -0.02 0.00 2.95 0.00 0.00 42.46 41.93 1j42 s ILE 31 CO 0.00 0.46 1.59 -0.54 -1.79 0.00 0.00 174.94 174.66 1j42 s LYS 32 N 0.24 3.66 -0.19 0.37 1.02 -0.35 -4.22 119.74 120.28 1j42 s LYS 32 Ca 0.09 1.45 -0.07 0.00 0.02 0.00 0.00 55.97 57.45 1j42 s LYS 32 Cb -0.11 -4.06 -0.04 0.00 -0.52 0.00 0.00 37.83 33.10 1j42 s LYS 32 CO -0.01 -1.45 0.06 0.08 -0.92 0.00 0.00 175.35 173.10 1j42 s VAL 33 N 5.55 4.72 -0.26 3.17 1.01 -1.26 0.04 120.40 133.37 1j42 s VAL 33 Ca 0.70 -0.06 -0.04 0.00 0.00 0.00 0.00 61.98 62.58 1j42 s VAL 33 Cb -0.22 -3.13 0.01 0.00 0.00 0.00 0.00 36.38 33.05 1j42 s VAL 33 CO 0.30 0.45 -0.01 -0.89 0.00 0.00 0.00 175.10 174.96 1j42 s THR 34 N 0.49 3.38 -0.66 3.92 2.01 0.38 -4.96 115.64 120.19 1j42 s THR 34 Ca 0.03 -0.80 -0.21 0.00 0.31 0.00 0.00 61.69 61.02 1j42 s THR 34 Cb -0.13 -2.69 0.09 0.00 0.01 0.00 0.00 72.50 69.78 1j42 s THR 34 CO 0.01 0.20 0.89 -0.69 -0.69 0.00 0.00 174.62 174.33 1j42 s VAL 35 N 1.42 4.54 -0.27 3.82 1.01 -1.26 -0.97 120.40 128.69 1j42 s VAL 35 Ca 0.02 -0.70 -0.13 0.00 0.00 0.00 0.00 61.98 61.17 1j42 s VAL 35 Cb -0.16 -4.63 -0.04 0.00 0.00 0.00 0.00 36.38 31.55 1j42 s VAL 35 CO -0.02 -1.35 0.26 0.00 0.00 0.00 0.00 175.10 174.00 1j42 s ALA 36 N 3.44 3.55 -0.11 5.51 0.00 0.04 0.09 121.76 134.27 1j42 s ALA 36 Ca 0.19 -0.94 -0.29 0.00 0.00 0.00 0.00 51.96 50.92 1j42 s ALA 36 Cb -0.18 -2.56 -0.03 0.00 0.00 0.00 0.00 23.12 20.35 1j42 s ALA 36 CO 0.07 -0.54 1.33 0.20 0.00 0.00 0.00 175.76 176.82 1j42 s GLY 37 N 1.60 1.71 0.38 0.00 0.00 0.49 -0.91 107.32 110.59 1j42 s GLY 37 Ca 0.11 0.60 0.13 0.00 0.00 0.00 0.00 44.72 45.56 1j42 s GLY 37 CO 0.10 2.55 1.84 -2.00 0.00 0.00 0.00 173.10 175.59 1j42 h LEU 38 N 9.45 0.55 -0.79 0.66 5.85 -1.13 -1.48 115.31 128.42 1j42 h LEU 38 Ca -0.31 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.46 1j42 h LEU 38 Cb 1.13 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.11 1j42 h LEU 38 CO 0.95 0.23 -0.34 0.00 -0.34 0.00 0.00 178.44 178.94 1j42 n ALA 39 N -2.46 3.27 0.00 1.25 0.00 -1.26 -4.69 120.51 116.61 1j42 n ALA 39 Ca 0.19 -0.53 0.00 0.00 0.00 0.00 0.00 53.44 53.11 1j42 n ALA 39 Cb 0.61 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 19.09 1j42 n ALA 39 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1j42 n GLY 40 N 1.37 0.44 0.09 0.00 0.00 -0.62 -4.88 105.19 101.59 1j42 n GLY 40 Ca 0.11 -1.42 0.11 0.00 0.00 0.00 0.00 46.02 44.82 1j42 n GLY 40 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1j42 n LYS 41 N 0.00 0.23 -1.53 1.61 5.02 -1.26 -3.48 118.16 118.74 1j42 n LYS 41 Ca 0.00 -0.17 -0.34 0.00 -2.02 0.00 0.00 58.31 55.77 1j42 n LYS 41 Cb 0.00 -1.50 0.08 0.00 -0.02 0.00 0.00 35.03 33.59 1j42 n LYS 41 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1j42 s ASP 42 N -2.89 4.43 0.50 4.39 1.11 -1.26 -4.34 116.67 118.60 1j42 s ASP 42 Ca 0.11 2.30 -0.23 0.00 0.18 0.00 0.00 52.55 54.91 1j42 s ASP 42 Cb 0.17 -2.58 -0.06 0.00 1.07 0.00 0.00 42.92 41.51 1j42 s ASP 42 CO 0.77 -2.10 1.40 -2.84 1.18 0.00 0.00 175.17 173.57 1j42 s PRO 43 N -3.89 3.39 -0.13 8.23 0.02 -1.26 -4.44 135.00 136.91 1j42 s PRO 43 Ca 0.73 2.33 -0.02 0.00 0.02 0.00 0.00 61.00 64.06 1j42 s PRO 43 Cb -0.28 -2.44 -0.03 0.00 0.02 0.00 0.00 34.50 31.77 1j42 s PRO 43 CO 0.44 -1.03 -0.05 0.08 -0.33 0.00 0.00 177.00 176.11 1j42 s VAL 44 N -1.25 3.84 -0.35 3.83 1.01 0.18 -4.92 120.40 122.74 1j42 s VAL 44 Ca 0.67 -0.39 -0.19 0.00 0.00 0.00 0.00 61.98 62.06 1j42 s VAL 44 Cb -0.42 -2.65 -0.00 0.00 0.00 0.00 0.00 36.38 33.31 1j42 s VAL 44 CO 0.52 0.53 0.57 -1.58 0.00 0.00 0.00 175.10 175.14 1j42 s GLN 45 N -0.03 3.66 0.75 2.72 0.74 -1.26 -1.36 119.66 124.87 1j42 s GLN 45 Ca 0.01 -0.05 -0.08 0.00 0.05 0.00 0.00 55.36 55.28 1j42 s GLN 45 Cb -0.13 -3.81 0.09 0.00 1.10 0.00 0.00 33.01 30.26 1j42 s GLN 45 CO 0.03 -0.68 1.07 0.00 -0.55 0.00 0.00 175.29 175.16 1j42 h SER 47 N -0.78 0.02 -0.78 0.00 4.64 -1.19 0.14 113.55 115.61 1j42 h SER 47 Ca -0.44 0.22 -0.27 0.00 -0.47 0.00 0.00 61.79 60.83 1j42 h SER 47 Cb 1.30 0.29 -0.16 0.00 -0.31 0.00 0.00 62.40 63.53 1j42 h SER 47 CO 0.57 -0.23 0.34 0.54 -0.87 0.00 0.00 176.83 177.18 1j42 n ARG 48 N -5.26 3.45 -0.85 4.77 3.00 -1.26 -4.94 116.66 115.58 1j42 n ARG 48 Ca 0.25 -3.00 0.00 0.00 -0.01 0.00 0.00 57.85 55.09 1j42 n ARG 48 Cb 0.82 -2.20 0.00 0.00 0.00 0.00 0.00 32.46 31.08 1j42 n ARG 48 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1j42 n ASP 49 N -0.29 -1.76 -4.75 0.55 8.00 0.50 -4.99 116.55 113.80 1j42 n ASP 49 Ca 0.44 0.00 -0.40 0.00 0.71 0.00 0.00 54.79 55.53 1j42 n ASP 49 Cb 1.43 -1.52 -0.05 0.00 -0.02 0.00 0.00 41.12 40.96 1j42 n ASP 49 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1j42 s VAL 50 N -2.13 3.76 -0.24 2.53 -7.23 -1.26 -4.70 120.40 111.13 1j42 s VAL 50 Ca 0.00 1.70 -0.08 0.00 -1.81 0.00 0.00 61.98 61.80 1j42 s VAL 50 Cb 0.00 -4.08 -0.03 0.00 0.56 0.00 0.00 36.38 32.82 1j42 s VAL 50 CO 0.00 0.38 0.08 -0.69 -0.31 0.00 0.00 175.10 174.55 1j42 s VAL 51 N -0.94 4.47 -0.09 1.32 1.01 -1.26 -1.98 120.40 122.93 1j42 s VAL 51 Ca 0.45 -0.12 -0.01 0.00 0.00 0.00 0.00 61.98 62.29 1j42 s VAL 51 Cb -0.30 -3.08 -0.03 0.00 0.00 0.00 0.00 36.38 32.98 1j42 s VAL 51 CO 0.37 0.36 -0.04 -0.63 0.00 0.00 0.00 175.10 175.16 1j42 s ILE 52 N 1.37 3.98 -0.25 2.22 1.09 -0.47 -4.89 121.20 124.25 1j42 s ILE 52 Ca 0.05 -0.37 -0.16 0.00 -1.10 0.00 0.00 60.65 59.08 1j42 s ILE 52 Cb -0.15 -2.66 -0.04 0.00 -1.06 0.00 0.00 42.46 38.55 1j42 s ILE 52 CO 0.04 0.59 0.40 0.00 -0.10 0.00 0.00 174.94 175.86 1j42 s PRO 54 N 1.89 2.65 0.26 0.00 0.02 -1.26 -4.91 135.00 133.64 1j42 s PRO 54 Ca 0.17 1.44 0.11 0.00 0.02 0.00 0.00 61.00 62.73 1j42 s PRO 54 Cb -0.15 -1.93 0.29 0.00 0.02 0.00 0.00 34.50 32.72 1j42 s PRO 54 CO 0.09 -1.38 1.57 -0.44 -0.33 0.00 0.00 177.00 176.51 1j42 h ASP 55 N -0.10 0.00 -5.52 2.53 3.45 -0.71 -3.47 116.42 112.59 1j42 h ASP 55 Ca -0.47 0.00 0.23 0.00 0.43 0.00 0.00 57.03 57.23 1j42 h ASP 55 Cb 1.25 0.00 -0.08 0.00 -0.56 0.00 0.00 39.33 39.94 1j42 h ASP 55 CO 0.53 0.66 0.64 0.00 -1.57 0.00 0.00 179.24 179.50 1j42 s ALA 56 N -3.46 -1.88 0.29 3.45 0.00 -0.99 -4.98 121.76 114.18 1j42 s ALA 56 Ca -0.01 0.23 -0.09 0.00 0.00 0.00 0.00 51.96 52.08 1j42 s ALA 56 Cb 0.12 0.58 -0.07 0.00 0.00 0.00 0.00 23.12 23.76 1j42 s ALA 56 CO 0.77 -1.06 0.62 -1.54 0.00 0.00 0.00 175.76 174.55 1j42 s SER 57 N -3.09 6.58 0.24 0.00 1.04 -1.25 -0.38 113.70 116.85 1j42 s SER 57 Ca 0.15 0.97 -0.05 0.00 0.48 0.00 0.00 55.95 57.51 1j42 s SER 57 Cb 0.01 -2.25 0.43 0.00 0.10 0.00 0.00 66.02 64.31 1j42 s SER 57 CO 0.01 -0.19 1.74 0.25 0.98 0.00 0.00 173.24 176.03 1j42 h LEU 58 N 2.02 0.34 -0.89 2.42 6.46 -1.64 0.38 115.31 124.39 1j42 h LEU 58 Ca -0.47 0.10 0.12 0.00 -0.12 0.00 0.00 57.88 57.50 1j42 h LEU 58 Cb 1.18 0.06 -0.13 0.00 -0.73 0.00 0.00 40.66 41.03 1j42 h LEU 58 CO 0.67 0.15 -0.47 -0.33 -0.62 0.00 0.00 178.44 177.83 1j42 h GLU 59 N 0.49 -0.06 0.11 1.25 4.39 -1.89 0.53 114.58 119.39 1j42 h GLU 59 Ca 0.40 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 60.10 1j42 h GLU 59 Cb 0.57 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.23 1j42 h GLU 59 CO -0.37 -0.04 -0.05 -0.44 -1.16 0.00 0.00 179.01 176.95 1j42 h ASP 60 N -0.06 -0.12 -0.82 1.42 3.32 -1.68 -3.32 116.42 115.16 1j42 h ASP 60 Ca 0.24 -0.44 0.20 0.00 0.02 0.00 0.00 57.03 57.04 1j42 h ASP 60 Cb 0.53 0.03 -0.12 0.00 0.22 0.00 0.00 39.33 39.98 1j42 h ASP 60 CO -0.90 0.44 0.26 0.00 -1.72 0.00 0.00 179.24 177.32 1j42 h ALA 61 N -0.01 1.18 -0.99 3.45 0.00 -0.35 0.78 119.26 123.32 1j42 h ALA 61 Ca -0.01 0.18 0.20 0.00 0.00 0.00 0.00 54.91 55.27 1j42 h ALA 61 Cb 0.56 0.23 -0.10 0.00 0.00 0.00 0.00 17.79 18.47 1j42 h ALA 61 CO 0.02 -0.36 0.61 -0.22 0.00 0.00 0.00 179.25 179.30 1j42 h LYS 62 N 0.30 0.68 0.00 0.00 3.64 -0.05 0.17 116.57 121.31 1j42 h LYS 62 Ca 0.49 -0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 59.78 1j42 h LYS 62 Cb 0.91 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.57 1j42 h LYS 62 CO -0.55 0.45 -0.27 0.87 -2.27 0.00 0.00 179.45 177.68 1j42 h LYS 63 N 0.70 0.00 -3.69 1.90 1.57 -0.95 -3.36 116.57 112.74 1j42 h LYS 63 Ca 0.57 0.00 -0.46 0.00 -1.87 0.00 0.00 60.65 58.89 1j42 h LYS 63 Cb 0.97 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.30 1j42 h LYS 63 CO -0.35 0.27 2.59 0.39 -0.57 0.00 0.00 179.45 181.78 1j42 n GLU 64 N -3.61 2.01 0.00 3.15 -0.58 0.61 -4.91 120.64 117.31 1j42 n GLU 64 Ca -0.01 -1.60 0.00 0.00 -0.42 0.00 0.00 57.16 55.13 1j42 n GLU 64 Cb 0.40 -2.59 0.00 0.00 -0.57 0.00 0.00 31.44 28.68 1j42 n GLU 64 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1j42 n GLY 65 N 3.95 0.22 3.86 0.62 0.00 -1.26 -4.78 105.19 107.80 1j42 n GLY 65 Ca 0.47 -0.43 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 1j42 n GLY 65 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1j42 s PRO 66 N 0.00 3.37 0.05 1.61 0.02 -1.26 -4.90 135.00 133.89 1j42 s PRO 66 Ca 0.00 0.79 0.09 0.00 0.02 0.00 0.00 61.00 61.90 1j42 s PRO 66 Cb 0.00 -2.05 -0.03 0.00 0.02 0.00 0.00 34.50 32.44 1j42 s PRO 66 CO 0.00 -0.74 -0.24 0.71 -0.33 0.00 0.00 177.00 176.40 1j42 s TYR 67 N -3.15 2.10 -0.04 6.54 2.02 -1.26 -4.97 117.35 118.59 1j42 s TYR 67 Ca 0.56 -0.40 0.31 0.00 -0.37 0.00 0.00 57.07 57.18 1j42 s TYR 67 Cb -0.12 -1.24 1.28 0.00 -0.40 0.00 0.00 41.96 41.48 1j42 s TYR 67 CO 0.54 0.13 1.92 -0.44 -1.57 0.00 0.00 175.55 176.13 1j42 h ASP 68 N 4.75 0.00 -3.36 2.29 5.19 -1.37 -3.43 116.42 120.49 1j42 h ASP 68 Ca -0.45 0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 55.91 1j42 h ASP 68 Cb 1.15 0.00 -0.23 0.00 0.18 0.00 0.00 39.33 40.43 1j42 h ASP 68 CO 0.43 0.00 -0.08 0.54 -3.12 0.00 0.00 179.24 177.01 1j42 s VAL 69 N -3.58 -0.01 -0.21 -1.35 0.11 -1.12 -3.04 120.40 111.19 1j42 s VAL 69 Ca 0.02 0.03 -0.02 0.00 -2.93 0.00 0.00 61.98 59.07 1j42 s VAL 69 Cb 0.09 -0.84 0.01 0.00 -1.53 0.00 0.00 36.38 34.11 1j42 s VAL 69 CO 0.51 0.01 -0.09 0.54 -3.33 0.00 0.00 175.10 172.73 1j42 s VAL 70 N 1.17 2.90 -0.15 2.04 0.11 -0.84 -0.66 120.40 124.97 1j42 s VAL 70 Ca -0.07 -0.71 -0.02 0.00 -2.93 0.00 0.00 61.98 58.25 1j42 s VAL 70 Cb -0.06 -2.32 -0.02 0.00 -1.53 0.00 0.00 36.38 32.45 1j42 s VAL 70 CO -0.12 0.43 -0.07 0.54 -3.33 0.00 0.00 175.10 172.55 1j42 s VAL 71 N 1.40 3.55 -0.37 2.04 0.11 0.05 -1.56 120.40 125.61 1j42 s VAL 71 Ca 0.05 -0.48 -0.12 0.00 -2.93 0.00 0.00 61.98 58.49 1j42 s VAL 71 Cb -0.14 -2.53 0.02 0.00 -1.53 0.00 0.00 36.38 32.19 1j42 s VAL 71 CO -0.06 0.50 0.23 -0.76 -3.33 0.00 0.00 175.10 171.68 1j42 s LEU 72 N 0.38 4.74 0.95 2.54 1.02 0.26 -3.19 118.68 125.39 1j42 s LEU 72 Ca -0.07 -0.86 -0.12 0.00 0.02 0.00 0.00 54.13 53.10 1j42 s LEU 72 Cb -0.15 -2.07 0.16 0.00 0.02 0.00 0.00 46.19 44.15 1j42 s LEU 72 CO 0.04 -0.37 1.09 -2.84 0.02 0.00 0.00 176.35 174.29 1j42 s PRO 73 N 1.61 0.83 0.00 1.29 0.02 -1.26 -2.31 135.00 135.18 1j42 s PRO 73 Ca 0.04 0.74 0.00 0.00 0.02 0.00 0.00 61.00 61.80 1j42 s PRO 73 Cb -0.19 -1.77 0.00 0.00 0.02 0.00 0.00 34.50 32.57 1j42 s PRO 73 CO 0.08 -2.51 0.00 0.41 -0.33 0.00 0.00 177.00 174.65 1j42 n GLY 74 N -0.95 1.04 0.09 0.52 0.00 -1.16 -3.85 105.19 100.88 1j42 n GLY 74 Ca 0.06 -1.81 0.00 0.00 0.00 0.00 0.00 46.02 44.28 1j42 n GLY 74 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j42 n GLY 75 N 5.00 0.56 0.38 -0.02 0.00 -1.26 -1.56 105.19 108.29 1j42 n GLY 75 Ca 0.00 -1.05 -0.10 0.00 0.00 0.00 0.00 46.02 44.87 1j42 n GLY 75 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1j42 h ASN 76 N 0.00 -1.96 -0.39 1.61 4.21 -1.95 0.38 115.58 117.49 1j42 h ASN 76 Ca 0.00 0.29 -0.04 0.00 1.21 0.00 0.00 56.30 57.76 1j42 h ASN 76 Cb 0.00 0.86 -0.02 0.00 -1.12 0.00 0.00 38.32 38.05 1j42 h ASN 76 CO 0.00 -0.22 0.09 -0.07 -1.29 0.00 0.00 177.43 175.94 1j42 h LEU 77 N -0.03 0.60 -0.52 1.61 4.07 -1.90 -1.76 115.31 117.38 1j42 h LEU 77 Ca 0.14 -0.24 0.07 0.00 0.08 0.00 0.00 57.88 57.93 1j42 h LEU 77 Cb 0.39 -0.16 -0.06 0.00 1.08 0.00 0.00 40.66 41.91 1j42 h LEU 77 CO -0.83 0.68 0.19 1.23 -1.08 0.00 0.00 178.44 178.63 1j42 h GLY 78 N 0.49 0.70 2.00 0.83 0.00 -1.15 0.49 103.07 106.43 1j42 h GLY 78 Ca 0.12 -0.11 -0.06 0.00 0.00 0.00 0.00 47.33 47.28 1j42 h GLY 78 CO 0.00 0.01 -0.28 0.00 0.00 0.00 0.00 176.54 176.27 1j42 h ALA 79 N 1.34 1.43 -0.19 3.60 0.00 -0.10 -1.93 119.26 123.41 1j42 h ALA 79 Ca 0.25 -0.26 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 1j42 h ALA 79 Cb 0.26 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1j42 h ALA 79 CO -0.25 0.35 -0.35 0.37 0.00 0.00 0.00 179.25 179.37 1j42 h GLN 80 N 0.00 0.58 -0.39 0.00 5.75 -0.25 -0.99 115.11 119.80 1j42 h GLN 80 Ca -0.00 -0.37 0.03 0.00 -0.15 0.00 0.00 58.65 58.16 1j42 h GLN 80 Cb 0.53 0.04 -0.03 0.00 1.07 0.00 0.00 27.48 29.10 1j42 h GLN 80 CO 0.04 0.98 0.21 -0.91 -2.65 0.00 0.00 178.83 176.49 1j42 h ASN 81 N 0.25 0.31 -0.26 -0.69 2.35 -0.49 -2.04 115.58 115.01 1j42 h ASN 81 Ca 0.01 0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.77 1j42 h ASN 81 Cb 0.95 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 39.26 1j42 h ASN 81 CO 0.08 0.23 0.15 -0.07 -1.65 0.00 0.00 177.43 176.16 1j42 h LEU 82 N 0.42 0.32 -2.44 1.61 3.38 -1.32 -2.54 115.31 114.73 1j42 h LEU 82 Ca 0.16 -0.07 0.02 0.00 0.09 0.00 0.00 57.88 58.09 1j42 h LEU 82 Cb 0.06 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 1j42 h LEU 82 CO -0.10 0.30 0.10 0.28 0.09 0.00 0.00 178.44 179.10 1j42 h SER 83 N 0.31 0.00 -0.19 -0.43 0.02 -0.82 -1.01 113.55 111.43 1j42 h SER 83 Ca 0.09 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 1j42 h SER 83 Cb 0.04 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.58 1j42 h SER 83 CO -0.02 0.00 0.00 -0.62 -1.14 0.00 0.00 176.83 175.05 1j42 n GLU 84 N -3.63 2.40 -3.36 3.45 1.02 -0.80 -4.78 120.64 114.95 1j42 n GLU 84 Ca -0.01 -2.09 -0.39 0.00 -0.02 0.00 0.00 57.16 54.65 1j42 n GLU 84 Cb 0.19 -1.48 -0.08 0.00 -0.02 0.00 0.00 31.44 30.05 1j42 n GLU 84 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1j42 s SER 85 N -1.76 6.41 0.24 1.62 0.15 -0.38 -4.96 113.70 115.01 1j42 s SER 85 Ca 0.33 0.48 -0.03 0.00 0.70 0.00 0.00 55.95 57.43 1j42 s SER 85 Cb 0.21 -2.24 0.28 0.00 -1.71 0.00 0.00 66.02 62.56 1j42 s SER 85 CO 0.31 -0.13 1.70 0.00 1.20 0.00 0.00 173.24 176.32 1j42 h ALA 86 N 7.62 1.01 -0.42 5.45 0.00 -1.92 -1.92 119.26 129.08 1j42 h ALA 86 Ca -0.34 -0.31 0.02 0.00 0.00 0.00 0.00 54.91 54.27 1j42 h ALA 86 Cb 1.16 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 1j42 h ALA 86 CO 0.70 0.60 0.25 0.00 0.00 0.00 0.00 179.25 180.80 1j42 h ALA 87 N 1.19 0.53 -0.75 0.00 0.00 -1.95 -1.30 119.26 116.98 1j42 h ALA 87 Ca 0.12 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 1j42 h ALA 87 Cb 0.58 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 1j42 h ALA 87 CO 0.04 -0.07 0.30 0.28 0.00 0.00 0.00 179.25 179.80 1j42 h VAL 88 N 0.51 1.25 -0.67 0.00 2.07 -1.81 -1.59 116.25 116.01 1j42 h VAL 88 Ca 0.17 -0.78 0.01 0.00 0.82 0.00 0.00 66.70 66.92 1j42 h VAL 88 Cb -0.00 0.35 -0.03 0.00 -1.52 0.00 0.00 31.29 30.08 1j42 h VAL 88 CO -0.07 0.32 0.44 0.50 0.02 0.00 0.00 177.57 178.78 1j42 h LYS 89 N 1.09 0.87 -0.43 1.57 3.64 -0.56 0.11 116.57 122.85 1j42 h LYS 89 Ca 0.25 -0.05 -0.12 0.00 -1.27 0.00 0.00 60.65 59.46 1j42 h LYS 89 Cb 0.20 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 1j42 h LYS 89 CO -0.02 0.57 -0.19 0.93 -2.27 0.00 0.00 179.45 178.47 1j42 h GLU 90 N 0.89 0.89 0.08 1.90 5.08 -0.95 -1.95 114.58 120.53 1j42 h GLU 90 Ca 0.25 -0.38 -0.00 0.00 -1.00 0.00 0.00 59.36 58.22 1j42 h GLU 90 Cb -0.09 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.14 1j42 h GLU 90 CO -0.06 1.03 -0.04 0.82 -1.00 0.00 0.00 179.01 179.77 1j42 h ILE 91 N 0.72 1.08 -0.34 3.13 2.04 -0.95 0.78 117.51 123.96 1j42 h ILE 91 Ca 0.10 -0.55 0.05 0.00 1.00 0.00 0.00 64.86 65.46 1j42 h ILE 91 Cb 0.76 1.43 -0.05 0.00 -0.74 0.00 0.00 36.82 38.22 1j42 h ILE 91 CO 0.06 0.14 0.06 -0.07 0.00 0.00 0.00 178.15 178.34 1j42 h LEU 92 N -0.35 -0.00 -1.08 1.44 3.38 -0.81 0.22 115.31 118.10 1j42 h LEU 92 Ca -0.01 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 1j42 h LEU 92 Cb 0.30 0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.09 1j42 h LEU 92 CO 0.02 0.04 0.53 0.11 0.09 0.00 0.00 178.44 179.23 1j42 h LYS 93 N 0.18 1.16 -0.16 1.13 1.79 -1.26 0.35 116.57 119.76 1j42 h LYS 93 Ca 0.16 -0.09 -0.04 0.00 -2.18 0.00 0.00 60.65 58.50 1j42 h LYS 93 Cb 0.19 -0.25 -0.00 0.00 -1.58 0.00 0.00 32.23 30.59 1j42 h LYS 93 CO -0.22 0.80 -0.06 0.93 -1.08 0.00 0.00 179.45 179.82 1j42 h GLU 94 N 1.18 0.32 -0.18 3.15 4.39 0.05 -1.72 114.58 121.77 1j42 h GLU 94 Ca 0.31 -0.13 0.03 0.00 0.34 0.00 0.00 59.36 59.91 1j42 h GLU 94 Cb -0.07 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.55 1j42 h GLU 94 CO -0.06 0.62 0.12 0.37 -1.16 0.00 0.00 179.01 178.90 1j42 h GLN 95 N 0.01 0.11 0.00 2.33 5.75 -0.17 0.46 115.11 123.60 1j42 h GLN 95 Ca 0.04 -0.01 -0.16 0.00 -0.15 0.00 0.00 58.65 58.37 1j42 h GLN 95 Cb 0.51 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 29.01 1j42 h GLN 95 CO 0.02 0.07 -0.89 1.49 -2.65 0.00 0.00 178.83 176.87 1j42 h GLU 96 N 0.11 0.00 0.06 1.69 4.81 -0.68 0.40 114.58 120.97 1j42 h GLU 96 Ca 0.08 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.23 1j42 h GLU 96 Cb 0.17 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.56 1j42 h GLU 96 CO -0.01 0.63 -0.34 -0.91 -0.73 0.00 0.00 179.01 177.65 1j42 h ASN 97 N 0.00 0.20 0.09 1.04 -0.26 -0.46 -3.17 115.58 113.01 1j42 h ASN 97 Ca -0.05 -0.97 0.00 0.00 -0.56 0.00 0.00 56.30 54.72 1j42 h ASN 97 Cb 1.59 -0.06 0.00 0.00 -1.06 0.00 0.00 38.32 38.78 1j42 h ASN 97 CO 0.08 1.15 0.00 0.54 -1.06 0.00 0.00 177.43 178.15 1j42 n ARG 98 N -4.41 0.07 -2.25 0.81 1.74 0.16 -4.82 116.66 107.96 1j42 n ARG 98 Ca -0.12 0.23 -0.12 0.00 -0.77 0.00 0.00 57.85 57.07 1j42 n ARG 98 Cb 0.62 -1.50 -0.00 0.00 -1.02 0.00 0.00 32.46 30.55 1j42 n ARG 98 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 1j42 n LYS 99 N -1.27 -1.05 -2.59 5.56 4.81 -1.02 -5.03 118.16 117.57 1j42 n LYS 99 Ca 0.02 0.60 -0.22 0.00 -0.87 0.00 0.00 58.31 57.84 1j42 n LYS 99 Cb 0.04 -4.78 0.05 0.00 0.02 0.00 0.00 35.03 30.35 1j42 n LYS 99 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 1j42 s GLY 100 N -2.46 1.81 0.25 3.14 0.00 0.14 -5.02 107.32 105.19 1j42 s GLY 100 Ca 0.01 -1.33 -0.29 0.00 0.00 0.00 0.00 44.72 43.10 1j42 s GLY 100 CO 0.01 -1.00 0.95 -2.27 0.00 0.00 0.00 173.10 170.78 1j42 s LEU 101 N -4.85 4.60 -0.08 0.66 2.96 -1.17 -4.65 118.68 116.15 1j42 s LEU 101 Ca 0.59 1.95 0.02 0.00 -0.22 0.00 0.00 54.13 56.46 1j42 s LEU 101 Cb -0.10 -3.67 0.02 0.00 0.50 0.00 0.00 46.19 42.94 1j42 s LEU 101 CO 0.40 0.12 -0.11 -0.63 -1.32 0.00 0.00 176.35 174.80 1j42 s ILE 102 N -1.24 1.14 -0.04 6.68 1.01 0.02 -1.99 121.20 126.79 1j42 s ILE 102 Ca 0.42 -0.45 0.04 0.00 0.00 0.00 0.00 60.65 60.66 1j42 s ILE 102 Cb -0.25 -1.07 -0.00 0.00 0.01 0.00 0.00 42.46 41.14 1j42 s ILE 102 CO 0.31 0.37 -0.15 0.00 0.00 0.00 0.00 174.94 175.47 1j42 s ALA 103 N 0.93 1.36 -0.07 9.38 0.00 -0.60 -1.20 121.76 131.56 1j42 s ALA 103 Ca -0.09 -0.60 -0.04 0.00 0.00 0.00 0.00 51.96 51.23 1j42 s ALA 103 Cb -0.15 -0.45 0.03 0.00 0.00 0.00 0.00 23.12 22.55 1j42 s ALA 103 CO 0.00 0.25 0.16 0.00 0.00 0.00 0.00 175.76 176.17 1j42 s ALA 104 N 0.05 -0.32 0.15 0.00 0.00 -0.37 0.93 121.76 122.20 1j42 s ALA 104 Ca -0.03 0.65 0.10 0.00 0.00 0.00 0.00 51.96 52.68 1j42 s ALA 104 Cb -0.10 -0.42 -0.04 0.00 0.00 0.00 0.00 23.12 22.55 1j42 s ALA 104 CO 0.02 -0.14 -0.20 -1.50 0.00 0.00 0.00 175.76 173.94 1j42 s ILE 105 N 0.93 2.66 0.00 0.00 2.07 -0.98 -2.29 121.20 123.59 1j42 s ILE 105 Ca -0.07 -1.70 0.00 0.00 -1.41 0.00 0.00 60.65 57.46 1j42 s ILE 105 Cb -0.09 -2.24 0.00 0.00 0.13 0.00 0.00 42.46 40.26 1j42 s ILE 105 CO -0.05 0.01 0.00 0.00 -1.91 0.00 0.00 174.94 173.00 1j42 n ALA 107 N 10.26 3.21 -0.29 0.00 0.00 -1.26 -1.89 120.51 130.54 1j42 n ALA 107 Ca 0.00 -0.31 0.08 0.00 0.00 0.00 0.00 53.44 53.21 1j42 n ALA 107 Cb 0.00 -1.12 0.23 0.00 0.00 0.00 0.00 19.45 18.56 1j42 n ALA 107 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1j42 h GLY 108 N 4.69 1.38 1.97 0.00 0.00 -1.24 -1.97 103.07 107.89 1j42 h GLY 108 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.10 1j42 h GLY 108 CO 0.00 -0.08 0.01 -0.56 0.00 0.00 0.00 176.54 175.92 1j42 h PRO 109 N 0.57 0.00 0.00 4.80 0.13 -1.76 -0.76 132.00 134.98 1j42 h PRO 109 Ca 0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.60 1j42 h PRO 109 Cb 0.71 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.84 1j42 h PRO 109 CO -0.39 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 177.63 1j42 n THR 110 N -3.24 0.50 0.04 1.56 -2.24 -0.74 -0.46 114.28 109.70 1j42 n THR 110 Ca -0.03 0.13 -0.12 0.00 -2.27 0.00 0.00 64.05 61.76 1j42 n THR 110 Cb 0.09 -1.00 -0.14 0.00 -2.10 0.00 0.00 70.33 67.18 1j42 n THR 110 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1j42 h ALA 111 N 2.41 0.44 -0.26 6.98 0.00 -1.32 -2.90 119.26 124.62 1j42 h ALA 111 Ca 0.00 -1.16 -0.08 0.00 0.00 0.00 0.00 54.91 53.67 1j42 h ALA 111 Cb 0.04 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1j42 h ALA 111 CO 0.00 1.30 -0.18 -0.07 0.00 0.00 0.00 179.25 180.30 1j42 h LEU 112 N 0.03 0.45 0.14 0.00 3.38 -0.93 -1.55 115.31 116.82 1j42 h LEU 112 Ca -0.19 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.64 1j42 h LEU 112 Cb 1.95 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 42.58 1j42 h LEU 112 CO 0.13 0.65 -0.07 0.25 0.09 0.00 0.00 178.44 179.49 1j42 h LEU 113 N 0.42 -0.16 -1.30 1.67 5.85 -1.56 1.30 115.31 121.54 1j42 h LEU 113 Ca 0.07 -0.22 0.04 0.00 0.84 0.00 0.00 57.88 58.61 1j42 h LEU 113 Cb 0.56 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.58 1j42 h LEU 113 CO 0.04 0.14 0.50 0.00 -0.34 0.00 0.00 178.44 178.78 1j42 h ALA 114 N 0.35 1.59 -0.56 1.25 0.00 -1.32 -1.39 119.26 119.18 1j42 h ALA 114 Ca -0.02 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1j42 h ALA 114 Cb 0.37 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1j42 h ALA 114 CO 0.03 0.32 0.00 0.72 0.00 0.00 0.00 179.25 180.32 1j42 n HIS 115 N -4.46 0.81 -3.71 0.00 8.25 -0.60 -4.94 115.22 110.56 1j42 n HIS 115 Ca 0.10 -0.39 -0.21 0.00 -0.26 0.00 0.00 57.72 56.96 1j42 n HIS 115 Cb 0.15 -0.02 0.03 0.00 1.12 0.00 0.00 29.99 31.27 1j42 n HIS 115 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1j42 n GLU 116 N 1.12 -4.91 -3.71 -0.41 1.02 0.10 -4.92 120.64 108.94 1j42 n GLU 116 Ca 0.19 0.62 -0.35 0.00 -0.02 0.00 0.00 57.16 57.60 1j42 n GLU 116 Cb 0.51 -5.18 -0.08 0.00 -0.02 0.00 0.00 31.44 26.67 1j42 n GLU 116 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1j42 s ILE 117 N -3.67 5.40 -1.43 -3.67 -1.09 0.43 -4.56 121.20 112.60 1j42 s ILE 117 Ca 0.01 0.23 -0.05 0.00 -2.23 0.00 0.00 60.65 58.62 1j42 s ILE 117 Cb -0.01 -3.49 0.02 0.00 -1.58 0.00 0.00 42.46 37.41 1j42 s ILE 117 CO 0.81 0.43 0.39 0.61 -1.23 0.00 0.00 174.94 175.96 1j42 n GLY 118 N 3.50 -0.51 3.60 6.18 0.00 -1.26 -4.61 105.19 112.09 1j42 n GLY 118 Ca -0.16 0.08 -0.45 0.00 0.00 0.00 0.00 46.02 45.50 1j42 n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j42 n GLY 120 N 1.36 0.57 3.85 0.00 0.00 0.14 -5.02 105.19 106.09 1j42 n GLY 120 Ca 0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 1j42 n GLY 120 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1j42 s SER 121 N -2.70 6.73 0.08 1.61 0.01 -0.85 -4.73 113.70 113.85 1j42 s SER 121 Ca 0.00 1.28 -0.27 0.00 1.31 0.00 0.00 55.95 58.27 1j42 s SER 121 Cb 0.00 -2.38 -0.06 0.00 0.21 0.00 0.00 66.02 63.80 1j42 s SER 121 CO 0.00 -0.26 0.85 -0.75 0.41 0.00 0.00 173.24 173.49 1j42 s LYS 122 N -3.20 4.59 0.23 12.44 2.20 -1.26 -2.43 119.74 132.32 1j42 s LYS 122 Ca 0.54 1.24 -0.09 0.00 -0.36 0.00 0.00 55.97 57.30 1j42 s LYS 122 Cb -0.10 -3.36 -0.01 0.00 -1.51 0.00 0.00 37.83 32.84 1j42 s LYS 122 CO 0.20 0.27 0.36 0.14 -0.36 0.00 0.00 175.35 175.97 1j42 s VAL 123 N -0.12 0.01 0.16 4.02 -7.23 -0.07 -4.38 120.40 112.79 1j42 s VAL 123 Ca 0.42 -1.56 0.03 0.00 -1.81 0.00 0.00 61.98 59.05 1j42 s VAL 123 Cb -0.22 -2.25 -0.05 0.00 0.56 0.00 0.00 36.38 34.43 1j42 s VAL 123 CO 0.26 -0.03 -0.04 0.28 -0.31 0.00 0.00 175.10 175.26 1j42 s THR 124 N -4.05 0.86 0.19 5.32 -1.32 -1.26 0.32 115.64 115.70 1j42 s THR 124 Ca 0.26 -2.00 -0.02 0.00 -1.21 0.00 0.00 61.69 58.72 1j42 s THR 124 Cb 0.02 -1.99 0.01 0.00 -1.51 0.00 0.00 72.50 69.03 1j42 s THR 124 CO 0.09 -0.61 0.29 0.35 -2.21 0.00 0.00 174.62 172.53 1j42 n THR 125 N -0.21 0.00 -2.36 5.08 -2.24 -1.26 -4.34 114.28 108.95 1j42 n THR 125 Ca -0.08 -0.85 -0.39 0.00 -2.27 0.00 0.00 64.05 60.45 1j42 n THR 125 Cb 0.62 0.56 -0.03 0.00 -2.10 0.00 0.00 70.33 69.38 1j42 n THR 125 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1j42 s HIS 126 N -4.24 3.31 0.29 4.78 2.46 -0.79 -4.42 115.29 116.67 1j42 s HIS 126 Ca 0.14 1.60 0.00 0.00 0.47 0.00 0.00 55.06 57.27 1j42 s HIS 126 Cb -0.01 -3.38 0.69 0.00 -0.13 0.00 0.00 32.58 29.75 1j42 s HIS 126 CO 0.10 -1.02 1.60 -1.35 -2.47 0.00 0.00 174.74 171.60 1j42 h PRO 127 N 3.29 0.07 0.00 2.88 0.11 -1.93 0.50 132.00 136.92 1j42 h PRO 127 Ca -0.48 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1j42 h PRO 127 Cb 1.22 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1j42 h PRO 127 CO 0.65 0.04 0.00 1.28 -0.21 0.00 0.00 178.00 179.76 1j42 n LEU 128 N -5.40 0.00 -0.14 2.35 4.77 -1.26 -2.47 117.00 114.85 1j42 n LEU 128 Ca 0.21 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 56.21 1j42 n LEU 128 Cb 0.69 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.80 1j42 n LEU 128 CO -0.02 0.00 0.32 0.00 -1.33 0.00 0.00 177.39 176.36 1j42 n ALA 129 N -0.89 2.47 0.18 -1.18 0.00 0.17 -4.74 120.51 116.52 1j42 n ALA 129 Ca 0.13 -0.56 -0.14 0.00 0.00 0.00 0.00 53.44 52.87 1j42 n ALA 129 Cb 0.06 -0.12 -0.07 0.00 0.00 0.00 0.00 19.45 19.32 1j42 n ALA 129 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1j42 h LYS 130 N 0.67 -0.49 -0.67 0.00 3.64 -1.19 -1.87 116.57 116.66 1j42 h LYS 130 Ca 0.00 0.03 0.10 0.00 -1.27 0.00 0.00 60.65 59.52 1j42 h LYS 130 Cb 0.17 0.11 -0.08 0.00 -0.41 0.00 0.00 32.23 32.02 1j42 h LYS 130 CO 0.00 -0.33 0.28 -0.44 -2.27 0.00 0.00 179.45 176.70 1j42 h ASP 131 N -0.51 0.31 -0.12 4.20 3.45 -1.85 0.28 116.42 122.18 1j42 h ASP 131 Ca -0.01 0.08 -0.01 0.00 0.43 0.00 0.00 57.03 57.52 1j42 h ASP 131 Cb 0.45 0.04 -0.01 0.00 -0.56 0.00 0.00 39.33 39.26 1j42 h ASP 131 CO -0.03 0.17 0.04 0.50 -1.57 0.00 0.00 179.24 178.35 1j42 h LYS 132 N 0.47 0.19 0.00 3.56 3.64 -1.85 -2.06 116.57 120.52 1j42 h LYS 132 Ca 0.35 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.65 1j42 h LYS 132 Cb 0.43 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.22 1j42 h LYS 132 CO -0.32 0.30 -0.18 1.98 -2.27 0.00 0.00 179.45 178.97 1j42 h MET 133 N 0.03 0.00 -0.02 1.90 4.05 -0.64 -2.87 114.93 117.38 1j42 h MET 133 Ca 0.04 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.46 1j42 h MET 133 Cb 0.19 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.99 1j42 h MET 133 CO -0.00 0.18 -0.21 -1.33 0.23 0.00 0.00 176.91 175.78 1j42 n MET 134 N -3.98 1.43 -1.64 0.39 2.81 0.94 -4.73 117.12 112.33 1j42 n MET 134 Ca -0.02 -1.03 -0.46 0.00 -1.81 0.00 0.00 57.70 54.38 1j42 n MET 134 Cb 0.26 -1.48 -0.04 0.00 -0.71 0.00 0.00 33.22 31.25 1j42 n MET 134 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 1j42 n ASN 135 N 0.11 3.57 0.00 7.83 4.05 -0.79 0.02 115.26 130.05 1j42 n ASN 135 Ca 0.13 0.79 0.00 0.00 0.45 0.00 0.00 54.58 55.95 1j42 n ASN 135 Cb 0.43 -1.44 0.00 0.00 1.23 0.00 0.00 39.78 40.00 1j42 n ASN 135 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1j42 n GLY 136 N 4.83 0.60 3.61 8.20 0.00 -1.26 -4.49 105.19 116.69 1j42 n GLY 136 Ca 0.24 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.99 1j42 n GLY 136 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j42 n GLY 137 N -2.00 -0.49 0.15 -0.02 0.00 0.10 -4.86 105.19 98.06 1j42 n GLY 137 Ca 0.00 0.14 0.15 0.00 0.00 0.00 0.00 46.02 46.31 1j42 n GLY 137 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1j42 n HIS 138 N -4.37 0.00 -4.16 1.61 8.25 -1.26 -4.85 115.22 110.44 1j42 n HIS 138 Ca 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.36 1j42 n HIS 138 Cb 0.54 -0.10 -0.10 0.00 1.12 0.00 0.00 29.99 31.45 1j42 n HIS 138 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 1j42 s TYR 139 N -2.25 0.89 -0.25 4.41 1.51 -1.26 0.24 117.35 120.64 1j42 s TYR 139 Ca 0.36 -1.15 -0.04 0.00 -1.01 0.00 0.00 57.07 55.23 1j42 s TYR 139 Cb 0.21 -0.52 0.00 0.00 -0.11 0.00 0.00 41.96 41.54 1j42 s TYR 139 CO 0.42 -0.41 -0.00 0.99 -1.11 0.00 0.00 175.55 175.43 1j42 s THR 140 N -3.92 3.50 0.47 -0.71 2.01 -1.02 -4.96 115.64 111.00 1j42 s THR 140 Ca 0.21 -0.65 -0.22 0.00 0.31 0.00 0.00 61.69 61.34 1j42 s THR 140 Cb 0.07 -2.70 -0.08 0.00 0.01 0.00 0.00 72.50 69.80 1j42 s THR 140 CO 0.00 0.26 1.12 -0.47 -0.69 0.00 0.00 174.62 174.84 1j42 s TYR 141 N 1.46 2.94 0.07 4.92 5.04 -1.26 -0.89 117.35 129.63 1j42 s TYR 141 Ca 0.04 1.57 0.02 0.00 -2.44 0.00 0.00 57.07 56.25 1j42 s TYR 141 Cb -0.16 -3.27 -0.03 0.00 0.35 0.00 0.00 41.96 38.85 1j42 s TYR 141 CO -0.01 -1.24 -0.07 0.45 -1.34 0.00 0.00 175.55 173.34 1j42 s SER 142 N -1.56 0.95 0.00 4.32 0.15 0.15 -4.80 113.70 112.91 1j42 s SER 142 Ca 0.65 -0.77 0.07 0.00 0.70 0.00 0.00 55.95 56.59 1j42 s SER 142 Cb -0.25 0.07 0.17 0.00 -1.71 0.00 0.00 66.02 64.31 1j42 s SER 142 CO 0.30 -0.34 1.06 -0.62 1.20 0.00 0.00 173.24 174.84 1j42 n GLU 143 N 0.73 2.19 -1.37 5.44 1.02 -1.26 -4.35 120.64 123.04 1j42 n GLU 143 Ca -0.18 -1.64 -0.33 0.00 -0.02 0.00 0.00 57.16 54.99 1j42 n GLU 143 Cb 0.58 -1.17 0.09 0.00 -0.02 0.00 0.00 31.44 30.92 1j42 n GLU 143 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1j42 s ASN 144 N -0.91 4.29 0.38 1.62 0.01 -1.26 -4.90 114.94 114.18 1j42 s ASN 144 Ca 0.14 2.13 0.14 0.00 -0.71 0.00 0.00 52.86 54.55 1j42 s ASN 144 Cb 0.08 -2.56 0.76 0.00 0.41 0.00 0.00 41.25 39.94 1j42 s ASN 144 CO 0.10 -2.19 1.84 0.03 -1.51 0.00 0.00 177.10 175.38 1j42 h ARG 145 N -0.63 0.00 -3.75 -0.60 3.08 -1.95 -3.42 114.38 107.12 1j42 h ARG 145 Ca -0.46 0.00 -0.35 0.00 0.07 0.00 0.00 59.98 59.24 1j42 h ARG 145 Cb 1.26 0.00 -0.34 0.00 0.08 0.00 0.00 29.97 30.97 1j42 h ARG 145 CO 0.50 0.35 -0.75 0.08 -1.07 0.00 0.00 179.97 179.08 1j42 s VAL 146 N -4.19 0.21 -0.07 2.04 1.01 -1.26 -3.03 120.40 115.11 1j42 s VAL 146 Ca -0.03 0.07 0.04 0.00 0.00 0.00 0.00 61.98 62.06 1j42 s VAL 146 Cb 0.14 -0.30 0.00 0.00 0.00 0.00 0.00 36.38 36.22 1j42 s VAL 146 CO 0.72 0.15 -0.19 -0.70 0.00 0.00 0.00 175.10 175.08 1j42 s GLU 147 N 1.02 2.37 -0.13 2.72 2.56 0.14 -5.00 118.70 122.39 1j42 s GLU 147 Ca -0.10 -0.70 -0.02 0.00 0.00 0.00 0.00 54.97 54.16 1j42 s GLU 147 Cb -0.14 -1.89 0.04 0.00 2.00 0.00 0.00 34.13 34.15 1j42 s GLU 147 CO -0.02 0.17 0.00 0.21 -0.56 0.00 0.00 175.26 175.07 1j42 s LYS 148 N 0.33 0.77 -0.53 4.30 2.20 -1.26 -0.18 119.74 125.36 1j42 s LYS 148 Ca -0.13 -0.16 0.04 0.00 -0.36 0.00 0.00 55.97 55.36 1j42 s LYS 148 Cb -0.16 -1.51 0.14 0.00 -1.51 0.00 0.00 37.83 34.78 1j42 s LYS 148 CO 0.06 -0.43 0.29 0.34 -0.36 0.00 0.00 175.35 175.24 1j42 s ASP 149 N 1.88 4.28 1.50 1.43 -1.08 -0.39 -5.01 116.67 119.28 1j42 s ASP 149 Ca 0.03 -3.07 0.00 0.00 -0.52 0.00 0.00 52.55 48.98 1j42 s ASP 149 Cb -0.14 -1.57 0.00 0.00 -1.46 0.00 0.00 42.92 39.75 1j42 s ASP 149 CO -0.07 -0.22 0.00 0.61 0.52 0.00 0.00 175.17 176.02 1j42 n GLY 150 N 3.01 3.27 0.45 2.66 0.00 -1.26 -2.54 105.19 110.79 1j42 n GLY 150 Ca 0.07 -0.15 0.13 0.00 0.00 0.00 0.00 46.02 46.07 1j42 n GLY 150 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1j42 n LEU 151 N 0.00 1.39 -4.28 0.99 4.77 -1.26 -4.73 117.00 113.87 1j42 n LEU 151 Ca 0.00 -0.52 -0.40 0.00 -0.03 0.00 0.00 56.01 55.06 1j42 n LEU 151 Cb 0.00 -0.04 -0.10 0.00 -2.33 0.00 0.00 43.42 40.94 1j42 n LEU 151 CO 0.00 0.26 -0.13 -0.63 -1.33 0.00 0.00 177.39 175.55 1j42 s ILE 152 N -1.92 4.18 -0.22 -0.08 -1.09 -1.05 -0.80 121.20 120.23 1j42 s ILE 152 Ca 0.36 -1.32 -0.04 0.00 -2.23 0.00 0.00 60.65 57.43 1j42 s ILE 152 Cb 0.19 -3.52 -0.01 0.00 -1.58 0.00 0.00 42.46 37.55 1j42 s ILE 152 CO 0.30 -0.43 -0.05 -0.22 -1.23 0.00 0.00 174.94 173.31 1j42 s LEU 153 N 1.43 2.89 0.11 2.97 0.20 -0.34 -1.27 118.68 124.68 1j42 s LEU 153 Ca 0.02 -0.38 0.06 0.00 0.69 0.00 0.00 54.13 54.52 1j42 s LEU 153 Cb -0.22 -1.73 -0.04 0.00 -0.43 0.00 0.00 46.19 43.77 1j42 s LEU 153 CO 0.03 -0.01 -0.16 0.42 -0.29 0.00 0.00 176.35 176.34 1j42 s THR 154 N 1.41 1.41 0.23 3.68 -4.23 0.75 -1.23 115.64 117.66 1j42 s THR 154 Ca 0.05 -1.63 0.01 0.00 -1.18 0.00 0.00 61.69 58.94 1j42 s THR 154 Cb -0.14 -1.48 -0.05 0.00 1.34 0.00 0.00 72.50 72.17 1j42 s THR 154 CO -0.03 -0.31 0.09 -0.55 -0.54 0.00 0.00 174.62 173.28 1j42 s SER 155 N -2.24 1.00 -0.15 3.99 0.15 -0.97 0.26 113.70 115.73 1j42 s SER 155 Ca 0.07 -1.35 -0.06 0.00 0.70 0.00 0.00 55.95 55.31 1j42 s SER 155 Cb -0.07 0.20 -0.24 0.00 -1.71 0.00 0.00 66.02 64.20 1j42 s SER 155 CO 0.03 -0.73 0.25 0.54 1.20 0.00 0.00 173.24 174.54 1j42 n ARG 156 N -0.40 0.73 -1.01 5.44 1.74 -1.17 -1.88 116.66 120.12 1j42 n ARG 156 Ca -0.01 0.26 0.00 0.00 -0.77 0.00 0.00 57.85 57.33 1j42 n ARG 156 Cb 0.66 -1.68 0.00 0.00 -1.02 0.00 0.00 32.46 30.42 1j42 n ARG 156 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1j42 n GLY 157 N 2.00 1.39 0.32 -0.13 0.00 -1.26 -2.68 105.19 104.83 1j42 n GLY 157 Ca -0.35 -0.83 -0.06 0.00 0.00 0.00 0.00 46.02 44.79 1j42 n GLY 157 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1j42 h PRO 158 N 0.00 -0.18 -0.47 1.61 0.11 -1.98 0.30 132.00 131.39 1j42 h PRO 158 Ca 0.00 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.12 1j42 h PRO 158 Cb 0.00 0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.15 1j42 h PRO 158 CO 0.00 -0.12 0.00 0.41 -0.21 0.00 0.00 178.00 178.08 1j42 n GLY 159 N -1.42 0.46 0.00 -0.55 0.00 -1.26 -1.71 105.19 100.70 1j42 n GLY 159 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1j42 n GLY 159 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1j42 n THR 160 N -0.08 0.00 -0.19 2.61 -2.24 0.05 -4.79 114.28 109.64 1j42 n THR 160 Ca 0.00 -0.29 -0.03 0.00 -2.27 0.00 0.00 64.05 61.46 1j42 n THR 160 Cb 0.12 1.39 0.08 0.00 -2.10 0.00 0.00 70.33 69.82 1j42 n THR 160 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1j42 h SER 161 N 0.00 0.41 -0.31 3.42 0.02 -0.83 0.53 113.55 116.79 1j42 h SER 161 Ca 0.00 0.04 -0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1j42 h SER 161 Cb 0.20 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.68 1j42 h SER 161 CO 0.00 0.27 0.19 -0.26 -1.14 0.00 0.00 176.83 175.89 1j42 h PHE 162 N 0.55 0.40 -0.29 3.45 -1.00 -1.87 0.44 116.94 118.62 1j42 h PHE 162 Ca 0.26 0.00 -0.09 0.00 2.81 0.00 0.00 57.97 60.96 1j42 h PHE 162 Cb 0.19 -0.13 -0.01 0.00 3.61 0.00 0.00 35.95 39.60 1j42 h PHE 162 CO -0.10 0.29 -0.19 0.93 -1.61 0.00 0.00 178.31 177.62 1j42 h GLU 163 N 0.40 0.52 0.34 1.51 5.08 -1.77 0.01 114.58 120.67 1j42 h GLU 163 Ca 0.11 -0.18 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 1j42 h GLU 163 Cb -0.00 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.21 1j42 h GLU 163 CO -0.02 0.69 -0.16 0.35 -1.00 0.00 0.00 179.01 178.87 1j42 h PHE 164 N 0.47 -0.42 -0.47 4.33 3.57 0.72 -1.03 116.94 124.11 1j42 h PHE 164 Ca 0.08 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.56 1j42 h PHE 164 Cb 0.60 0.14 -0.02 0.00 2.79 0.00 0.00 35.95 39.45 1j42 h PHE 164 CO 0.02 -0.17 0.28 0.00 -2.23 0.00 0.00 178.31 176.22 1j42 h ALA 165 N -0.00 0.60 -0.11 2.41 0.00 -0.01 -2.24 119.26 119.90 1j42 h ALA 165 Ca -0.05 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 1j42 h ALA 165 Cb 0.44 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1j42 h ALA 165 CO 0.08 0.09 -0.23 -0.07 0.00 0.00 0.00 179.25 179.12 1j42 h LEU 166 N 0.62 0.19 -0.28 0.00 3.38 -0.98 -1.84 115.31 116.41 1j42 h LEU 166 Ca 0.17 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 1j42 h LEU 166 Cb -0.00 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1j42 h LEU 166 CO -0.03 0.43 0.10 0.00 0.09 0.00 0.00 178.44 179.03 1j42 h ALA 167 N 1.59 0.37 -0.32 1.53 0.00 -0.72 -0.30 119.26 121.41 1j42 h ALA 167 Ca 0.03 -0.14 0.06 0.00 0.00 0.00 0.00 54.91 54.86 1j42 h ALA 167 Cb 0.51 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.14 1j42 h ALA 167 CO 0.04 -0.01 -0.02 0.82 0.00 0.00 0.00 179.25 180.08 1j42 h ILE 168 N 0.30 0.75 -0.07 0.00 2.04 -0.91 0.99 117.51 120.61 1j42 h ILE 168 Ca 0.09 -0.02 0.04 0.00 1.00 0.00 0.00 64.86 65.96 1j42 h ILE 168 Cb 0.22 0.67 -0.04 0.00 -0.74 0.00 0.00 36.82 36.92 1j42 h ILE 168 CO -0.00 0.01 -0.19 0.58 0.00 0.00 0.00 178.15 178.55 1j42 h VAL 169 N 0.07 0.54 -0.39 1.67 2.07 -1.05 0.15 116.25 119.31 1j42 h VAL 169 Ca 0.15 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.73 1j42 h VAL 169 Cb 0.21 0.54 -0.05 0.00 -1.52 0.00 0.00 31.29 30.47 1j42 h VAL 169 CO -0.27 0.00 0.08 -0.08 0.02 0.00 0.00 177.57 177.32 1j42 h GLU 170 N -0.27 0.20 -0.93 1.57 4.81 -0.45 1.18 114.58 120.70 1j42 h GLU 170 Ca 0.08 -0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.37 1j42 h GLU 170 Cb 0.38 -0.05 -0.06 0.00 0.63 0.00 0.00 28.75 29.65 1j42 h GLU 170 CO -0.22 0.13 0.60 0.00 -0.73 0.00 0.00 179.01 178.79 1j42 h ALA 171 N 1.29 1.51 0.10 2.92 0.00 -0.06 0.59 119.26 125.61 1j42 h ALA 171 Ca 0.19 -0.02 -0.29 0.00 0.00 0.00 0.00 54.91 54.78 1j42 h ALA 171 Cb 0.22 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1j42 h ALA 171 CO -0.24 0.34 -1.55 -0.07 0.00 0.00 0.00 179.25 177.73 1j42 h LEU 172 N 1.04 0.33 -1.11 0.00 4.07 0.13 -3.42 115.31 116.35 1j42 h LEU 172 Ca 0.41 -0.82 0.00 0.00 0.08 0.00 0.00 57.88 57.54 1j42 h LEU 172 Cb 0.24 -0.11 0.00 0.00 1.08 0.00 0.00 40.66 41.87 1j42 h LEU 172 CO -0.16 1.66 0.00 0.59 -1.08 0.00 0.00 178.44 179.45 1j42 n ASN 173 N -3.89 1.19 0.00 -0.43 5.03 0.40 -5.02 115.26 112.54 1j42 n ASN 173 Ca -0.28 -1.10 0.00 0.00 0.87 0.00 0.00 54.58 54.07 1j42 n ASN 173 Cb 0.90 -0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.66 1j42 n ASN 173 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1j42 n GLY 174 N 0.12 0.88 0.27 7.41 0.00 0.21 -4.44 105.19 109.64 1j42 n GLY 174 Ca 0.01 -1.87 -0.02 0.00 0.00 0.00 0.00 46.02 44.14 1j42 n GLY 174 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1j42 h LYS 175 N 0.00 0.74 0.01 1.61 1.57 -1.91 -2.68 116.57 115.92 1j42 h LYS 175 Ca 0.00 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.74 1j42 h LYS 175 Cb 0.00 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.13 1j42 h LYS 175 CO 0.00 0.49 -0.04 0.93 -0.57 0.00 0.00 179.45 180.26 1j42 h GLU 176 N 0.77 -0.08 -0.42 3.15 5.08 -1.97 -1.58 114.58 119.53 1j42 h GLU 176 Ca 0.30 0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.62 1j42 h GLU 176 Cb 0.13 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 1j42 h GLU 176 CO -0.15 -0.05 0.08 0.28 -1.00 0.00 0.00 179.01 178.16 1j42 h VAL 177 N -0.08 1.24 -0.99 3.13 2.07 -1.76 -2.04 116.25 117.82 1j42 h VAL 177 Ca 0.02 -0.85 0.06 0.00 0.82 0.00 0.00 66.70 66.75 1j42 h VAL 177 Cb 0.10 0.99 -0.07 0.00 -1.52 0.00 0.00 31.29 30.79 1j42 h VAL 177 CO -0.04 0.30 0.64 0.00 0.02 0.00 0.00 177.57 178.48 1j42 h ALA 178 N 0.94 1.37 -0.50 1.67 0.00 -1.38 -0.69 119.26 120.66 1j42 h ALA 178 Ca 0.13 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.90 1j42 h ALA 178 Cb 0.35 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1j42 h ALA 178 CO 0.01 0.43 -0.15 0.00 0.00 0.00 0.00 179.25 179.54 1j42 h ALA 179 N 1.45 0.69 -0.59 0.00 0.00 -1.04 -0.24 119.26 119.53 1j42 h ALA 179 Ca 0.43 -0.37 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 1j42 h ALA 179 Cb 0.16 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1j42 h ALA 179 CO -0.17 0.64 0.06 1.96 0.00 0.00 0.00 179.25 181.74 1j42 h GLN 180 N 0.85 1.00 -0.38 0.00 1.08 -0.72 -2.26 115.11 114.68 1j42 h GLN 180 Ca 0.12 -0.29 -0.10 0.00 -1.45 0.00 0.00 58.65 56.94 1j42 h GLN 180 Cb 0.72 -0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 28.04 1j42 h GLN 180 CO 0.06 0.96 -0.14 0.28 -0.95 0.00 0.00 178.83 179.03 1j42 h VAL 181 N 0.90 1.28 -0.19 -0.54 2.07 -1.08 -3.30 116.25 115.39 1j42 h VAL 181 Ca 0.18 -1.25 0.02 0.00 0.82 0.00 0.00 66.70 66.47 1j42 h VAL 181 Cb 0.47 1.30 -0.02 0.00 -1.52 0.00 0.00 31.29 31.51 1j42 h VAL 181 CO 0.02 0.42 0.03 0.50 0.02 0.00 0.00 177.57 178.56 1j42 h LYS 182 N 0.56 0.11 -0.61 1.57 3.64 -0.82 -3.31 116.57 117.72 1j42 h LYS 182 Ca 0.09 -0.01 0.11 0.00 -1.27 0.00 0.00 60.65 59.57 1j42 h LYS 182 Cb 0.68 -0.02 -0.12 0.00 -0.41 0.00 0.00 32.23 32.36 1j42 h LYS 182 CO 0.05 0.07 -0.33 0.00 -2.27 0.00 0.00 179.45 176.97 1j42 h ALA 183 N 1.14 -0.02 0.00 5.00 0.00 -1.49 -0.53 119.26 123.36 1j42 h ALA 183 Ca 0.08 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1j42 h ALA 183 Cb 0.08 0.78 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1j42 h ALA 183 CO -0.12 -0.67 0.00 -1.35 0.00 0.00 0.00 179.25 177.12 1j42 h PRO 184 N -0.15 0.00 0.00 0.00 0.11 -1.74 -2.90 132.00 127.32 1j42 h PRO 184 Ca 0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.35 1j42 h PRO 184 Cb 0.55 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.66 1j42 h PRO 184 CO -0.69 0.00 0.00 -0.07 -0.21 0.00 0.00 178.00 177.03 1j42 h LEU 185 N 0.00 0.00 -1.82 2.35 3.38 -1.21 -3.47 115.31 114.53 1j42 h LEU 185 Ca 0.00 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.67 1j42 h LEU 185 Cb 0.18 0.00 0.17 0.00 0.09 0.00 0.00 40.66 41.09 1j42 h LEU 185 CO 0.00 0.00 -0.74 0.52 0.09 0.00 0.00 178.44 178.31 1j42 n VAL 186 N -2.90 -6.25 1.60 1.22 0.31 -1.10 -5.16 118.33 106.06 1j42 n VAL 186 Ca 0.01 -0.63 0.14 0.00 -0.01 0.00 0.00 64.34 63.86 1j42 n VAL 186 Cb 0.30 -5.14 0.61 0.00 -0.91 0.00 0.00 33.84 28.70 1j42 n VAL 186 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69