#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1di0 s SER 12 N 0.00 2.95 0.32 1.09 0.15 -1.24 -4.21 113.70 112.76 1di0 s SER 12 Ca 0.00 -0.76 -0.18 0.00 0.70 0.00 0.00 55.95 55.71 1di0 s SER 12 Cb 0.00 -0.83 0.06 0.00 -1.71 0.00 0.00 66.02 63.54 1di0 s SER 12 CO 0.00 -0.23 0.86 0.72 1.20 0.00 0.00 173.24 175.79 1di0 s PHE 13 N 1.68 0.09 0.13 3.44 -0.12 -0.98 -4.97 117.98 117.25 1di0 s PHE 13 Ca -0.01 -0.68 0.07 0.00 -0.05 0.00 0.00 56.93 56.26 1di0 s PHE 13 Cb -0.16 0.80 -0.04 0.00 -0.63 0.00 0.00 43.02 42.98 1di0 s PHE 13 CO -0.07 -1.37 -0.08 0.15 -0.05 0.00 0.00 175.22 173.80 1di0 s LYS 14 N -2.33 2.19 -0.06 1.99 1.02 -1.26 -1.92 119.74 119.36 1di0 s LYS 14 Ca 0.17 -1.06 0.04 0.00 0.02 0.00 0.00 55.97 55.14 1di0 s LYS 14 Cb -0.04 -2.31 0.00 0.00 -0.52 0.00 0.00 37.83 34.96 1di0 s LYS 14 CO 0.09 0.49 -0.17 0.42 -0.92 0.00 0.00 175.35 175.27 1di0 s ILE 15 N -1.37 1.43 -0.19 2.17 1.01 -0.62 -1.39 121.20 122.23 1di0 s ILE 15 Ca 0.23 -0.69 -0.11 0.00 0.00 0.00 0.00 60.65 60.08 1di0 s ILE 15 Cb -0.10 -1.25 -0.05 0.00 0.01 0.00 0.00 42.46 41.07 1di0 s ILE 15 CO 0.15 0.42 0.19 0.00 0.00 0.00 0.00 174.94 175.70 1di0 s ALA 16 N 0.27 3.65 -0.31 9.38 0.00 -0.71 -1.33 121.76 132.71 1di0 s ALA 16 Ca -0.09 -0.61 -0.02 0.00 0.00 0.00 0.00 51.96 51.23 1di0 s ALA 16 Cb -0.14 -2.26 0.05 0.00 0.00 0.00 0.00 23.12 20.77 1di0 s ALA 16 CO 0.04 0.11 0.03 0.12 0.00 0.00 0.00 175.76 176.05 1di0 s PHE 17 N 0.45 3.30 -0.36 0.00 5.36 -0.77 -0.17 117.98 125.79 1di0 s PHE 17 Ca 0.11 -1.89 -0.15 0.00 -0.96 0.00 0.00 56.93 54.04 1di0 s PHE 17 Cb -0.12 -2.23 -0.01 0.00 -0.34 0.00 0.00 43.02 40.32 1di0 s PHE 17 CO 0.00 -0.81 0.33 0.42 -1.46 0.00 0.00 175.22 173.70 1di0 s ILE 18 N 1.25 5.20 -0.10 3.12 1.01 0.33 -0.65 121.20 131.37 1di0 s ILE 18 Ca -0.03 -0.15 0.02 0.00 0.00 0.00 0.00 60.65 60.49 1di0 s ILE 18 Cb -0.20 -3.83 -0.01 0.00 0.01 0.00 0.00 42.46 38.43 1di0 s ILE 18 CO -0.01 -0.14 -0.18 0.00 0.00 0.00 0.00 174.94 174.62 1di0 s GLN 19 N 1.92 3.07 0.47 2.79 -2.07 -0.63 -0.59 119.66 124.62 1di0 s GLN 19 Ca 0.10 -0.76 -0.21 0.00 -1.82 0.00 0.00 55.36 52.66 1di0 s GLN 19 Cb -0.17 -2.45 -0.09 0.00 -1.09 0.00 0.00 33.01 29.21 1di0 s GLN 19 CO 0.11 0.28 1.03 0.00 -1.32 0.00 0.00 175.29 175.40 1di0 s ALA 20 N 0.13 2.91 -0.13 2.60 0.00 -0.71 -1.96 121.76 124.61 1di0 s ALA 20 Ca -0.09 0.60 0.22 0.00 0.00 0.00 0.00 51.96 52.69 1di0 s ALA 20 Cb -0.15 -3.24 -0.18 0.00 0.00 0.00 0.00 23.12 19.54 1di0 s ALA 20 CO 0.06 -0.25 0.73 0.54 0.00 0.00 0.00 175.76 176.83 1di0 n ARG 21 N -0.82 0.64 -1.70 0.00 5.12 -0.14 -4.61 116.66 115.15 1di0 n ARG 21 Ca 0.09 -0.03 -0.42 0.00 -1.93 0.00 0.00 57.85 55.55 1di0 n ARG 21 Cb 0.52 -1.67 -0.03 0.00 -1.16 0.00 0.00 32.46 30.12 1di0 n ARG 21 CO 0.00 0.00 0.00 1.87 -1.93 0.00 0.00 177.63 177.57 1di0 n TRP 22 N -2.49 2.67 -2.59 -1.55 -0.00 -1.16 -0.56 117.44 111.75 1di0 n TRP 22 Ca -0.04 -0.11 -0.15 0.00 -0.00 0.00 0.00 57.50 57.21 1di0 n TRP 22 Cb 0.60 -2.72 0.01 0.00 -0.00 0.00 0.00 31.31 29.20 1di0 n TRP 22 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 177.69 178.41 1di0 n HIS 23 N 5.21 -1.10 -0.22 5.87 8.25 -1.26 -4.61 115.22 127.36 1di0 n HIS 23 Ca 0.17 0.23 0.31 0.00 -0.26 0.00 0.00 57.72 58.17 1di0 n HIS 23 Cb 0.37 -3.25 0.73 0.00 1.12 0.00 0.00 29.99 28.96 1di0 n HIS 23 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1di0 h ALA 24 N 0.68 2.91 -0.74 -1.41 0.00 -1.08 0.15 119.26 119.76 1di0 h ALA 24 Ca -0.35 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.56 1di0 h ALA 24 Cb 1.25 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 19.07 1di0 h ALA 24 CO 0.39 -1.24 0.49 0.38 0.00 0.00 0.00 179.25 179.27 1di0 h ASP 25 N 0.00 0.76 0.00 0.00 3.04 -1.90 0.12 116.42 118.45 1di0 h ASP 25 Ca 0.47 -0.01 -0.00 0.00 -3.24 0.00 0.00 57.03 54.25 1di0 h ASP 25 Cb 1.93 -0.17 -0.00 0.00 -1.04 0.00 0.00 39.33 40.05 1di0 h ASP 25 CO -0.00 0.52 -0.01 0.40 -2.04 0.00 0.00 179.24 178.10 1di0 h ILE 26 N 0.88 0.18 -0.96 4.15 2.04 -1.08 -3.35 117.51 119.38 1di0 h ILE 26 Ca 0.30 -1.14 0.29 0.00 1.00 0.00 0.00 64.86 65.31 1di0 h ILE 26 Cb 0.09 0.35 -0.14 0.00 -0.74 0.00 0.00 36.82 36.37 1di0 h ILE 26 CO -0.09 0.06 0.46 0.58 0.00 0.00 0.00 178.15 179.16 1di0 h VAL 27 N -1.00 0.33 -0.81 1.67 2.07 -1.38 0.12 116.25 117.24 1di0 h VAL 27 Ca -0.00 -0.11 0.19 0.00 0.82 0.00 0.00 66.70 67.61 1di0 h VAL 27 Cb 0.11 -0.01 -0.05 0.00 -1.52 0.00 0.00 31.29 29.82 1di0 h VAL 27 CO -0.00 0.06 0.55 0.44 0.02 0.00 0.00 177.57 178.64 1di0 h ASP 28 N 0.31 0.27 -0.67 0.57 3.45 -0.88 0.12 116.42 119.59 1di0 h ASP 28 Ca 0.67 0.02 0.03 0.00 0.43 0.00 0.00 57.03 58.18 1di0 h ASP 28 Cb 1.45 -0.03 -0.04 0.00 -0.56 0.00 0.00 39.33 40.15 1di0 h ASP 28 CO -0.61 0.12 0.42 -0.08 -1.57 0.00 0.00 179.24 177.51 1di0 h GLU 29 N 0.27 0.79 -0.62 3.56 4.57 -0.89 -1.03 114.58 121.24 1di0 h GLU 29 Ca 0.41 -0.05 -0.03 0.00 -1.18 0.00 0.00 59.36 58.51 1di0 h GLU 29 Cb 1.18 -0.18 -0.03 0.00 -0.16 0.00 0.00 28.75 29.56 1di0 h GLU 29 CO -0.11 0.52 0.26 0.00 -1.18 0.00 0.00 179.01 178.50 1di0 h ALA 30 N 1.29 0.80 -0.41 2.92 0.00 -0.86 -1.12 119.26 121.88 1di0 h ALA 30 Ca 0.27 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 1di0 h ALA 30 Cb 0.03 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1di0 h ALA 30 CO -0.11 0.41 -0.01 -0.09 0.00 0.00 0.00 179.25 179.45 1di0 h ARG 31 N 0.86 0.73 -0.02 0.00 2.43 -1.19 -1.19 114.38 115.99 1di0 h ARG 31 Ca 0.21 -0.24 0.03 0.00 -0.81 0.00 0.00 59.98 59.17 1di0 h ARG 31 Cb 0.19 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.64 1di0 h ARG 31 CO -0.02 0.82 -0.15 0.87 -1.51 0.00 0.00 179.97 179.97 1di0 h LYS 32 N 0.56 -0.24 -0.96 0.20 1.57 -0.88 -0.85 116.57 115.97 1di0 h LYS 32 Ca 0.12 0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.93 1di0 h LYS 32 Cb 0.49 0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.80 1di0 h LYS 32 CO 0.02 -0.16 0.64 1.03 -0.57 0.00 0.00 179.45 180.41 1di0 h SER 33 N -0.24 1.10 -0.25 0.86 0.87 -1.21 -1.30 113.55 113.36 1di0 h SER 33 Ca 0.06 -0.03 -0.02 0.00 -1.23 0.00 0.00 61.79 60.58 1di0 h SER 33 Cb 0.32 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.00 1di0 h SER 33 CO -0.16 0.79 0.10 0.15 -0.53 0.00 0.00 176.83 177.17 1di0 h PHE 34 N 1.29 0.39 -0.07 2.24 3.57 -0.64 -1.31 116.94 122.41 1di0 h PHE 34 Ca 0.36 -0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.72 1di0 h PHE 34 Cb -0.13 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.48 1di0 h PHE 34 CO -0.00 0.41 -0.46 0.28 -2.23 0.00 0.00 178.31 176.31 1di0 h VAL 35 N 0.25 1.33 -0.03 1.41 2.07 -0.85 -1.39 116.25 119.05 1di0 h VAL 35 Ca 0.08 -1.62 -0.02 0.00 0.82 0.00 0.00 66.70 65.97 1di0 h VAL 35 Cb 0.19 1.79 -0.00 0.00 -1.52 0.00 0.00 31.29 31.75 1di0 h VAL 35 CO -0.01 0.48 -0.04 0.00 0.02 0.00 0.00 177.57 178.02 1di0 h ALA 36 N 1.40 0.05 -0.65 1.67 0.00 -1.07 -1.77 119.26 118.88 1di0 h ALA 36 Ca 0.01 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.58 1di0 h ALA 36 Cb 0.86 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 1di0 h ALA 36 CO 0.07 -0.15 0.19 0.93 0.00 0.00 0.00 179.25 180.29 1di0 h GLU 37 N -0.41 1.02 -0.62 0.00 4.39 -1.14 0.09 114.58 117.91 1di0 h GLU 37 Ca 0.00 -0.23 0.05 0.00 0.34 0.00 0.00 59.36 59.52 1di0 h GLU 37 Cb 0.58 -0.14 -0.05 0.00 -0.10 0.00 0.00 28.75 29.04 1di0 h GLU 37 CO 0.01 0.91 0.34 -0.07 -1.16 0.00 0.00 179.01 179.04 1di0 h LEU 38 N 0.95 0.51 0.01 1.33 3.38 -1.24 -0.48 115.31 119.78 1di0 h LEU 38 Ca 0.21 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.20 1di0 h LEU 38 Cb 0.32 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1di0 h LEU 38 CO -0.00 0.34 -0.00 0.00 0.09 0.00 0.00 178.44 178.86 1di0 h ALA 39 N 1.32 -0.01 0.20 1.53 0.00 -0.44 -1.59 119.26 120.27 1di0 h ALA 39 Ca 0.27 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.15 1di0 h ALA 39 Cb 0.15 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 1di0 h ALA 39 CO -0.17 -0.47 -0.36 0.00 0.00 0.00 0.00 179.25 178.26 1di0 h ALA 40 N 0.90 -0.67 0.00 0.00 0.00 -0.63 0.36 119.26 119.21 1di0 h ALA 40 Ca -0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1di0 h ALA 40 Cb 0.09 0.56 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1di0 h ALA 40 CO 0.00 -0.93 0.00 0.87 0.00 0.00 0.00 179.25 179.19 1di0 h LYS 41 N -0.64 0.00 0.00 0.00 6.56 -1.09 -3.31 116.57 118.08 1di0 h LYS 41 Ca 0.01 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.60 1di0 h LYS 41 Cb 0.63 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.29 1di0 h LYS 41 CO -0.16 0.00 0.00 0.25 -2.06 0.00 0.00 179.45 177.48 1di0 n THR 42 N -2.80 0.00 0.00 -0.16 -2.24 -0.60 -5.00 114.28 103.48 1di0 n THR 42 Ca 0.00 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 1di0 n THR 42 Cb 0.23 1.38 0.00 0.00 -2.10 0.00 0.00 70.33 69.83 1di0 n THR 42 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1di0 n GLY 43 N 0.02 1.99 0.00 3.38 0.00 0.12 -3.07 105.19 107.64 1di0 n GLY 43 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1di0 n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1di0 n GLY 44 N 0.00 0.00 0.00 -0.02 0.00 -1.26 -4.79 105.19 99.11 1di0 n GLY 44 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.08 1di0 n GLY 44 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1di0 n SER 45 N 0.00 0.00 -3.94 1.61 3.41 -1.17 -4.13 113.62 109.40 1di0 n SER 45 Ca 0.00 -0.12 -0.30 0.00 -0.26 0.00 0.00 58.87 58.19 1di0 n SER 45 Cb 0.00 -0.16 -0.15 0.00 -0.26 0.00 0.00 64.21 63.63 1di0 n SER 45 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1di0 s VAL 46 N -2.33 1.61 -0.12 -3.33 1.01 -1.26 -2.32 120.40 113.66 1di0 s VAL 46 Ca 0.16 -1.42 -0.07 0.00 0.00 0.00 0.00 61.98 60.65 1di0 s VAL 46 Cb 0.09 -1.94 -0.04 0.00 0.00 0.00 0.00 36.38 34.49 1di0 s VAL 46 CO 0.18 -0.22 0.12 -1.83 0.00 0.00 0.00 175.10 173.35 1di0 s GLU 47 N 1.33 3.46 -0.22 2.72 -1.05 -0.81 -4.83 118.70 119.30 1di0 s GLU 47 Ca -0.02 -0.17 -0.06 0.00 -0.15 0.00 0.00 54.97 54.56 1di0 s GLU 47 Cb -0.19 -3.17 -0.03 0.00 -0.44 0.00 0.00 34.13 30.31 1di0 s GLU 47 CO -0.08 0.72 0.04 0.08 0.95 0.00 0.00 175.26 176.97 1di0 s VAL 48 N -0.88 4.22 -0.18 1.83 1.01 -1.26 -1.59 120.40 123.54 1di0 s VAL 48 Ca 0.14 -0.22 -0.09 0.00 0.00 0.00 0.00 61.98 61.82 1di0 s VAL 48 Cb -0.12 -2.93 -0.05 0.00 0.00 0.00 0.00 36.38 33.28 1di0 s VAL 48 CO 0.03 0.39 0.11 -1.61 0.00 0.00 0.00 175.10 174.03 1di0 s GLU 49 N 1.17 4.01 -0.06 2.72 2.02 -0.45 -4.97 118.70 123.14 1di0 s GLU 49 Ca 0.04 -0.24 -0.14 0.00 0.02 0.00 0.00 54.97 54.65 1di0 s GLU 49 Cb -0.14 -3.33 -0.05 0.00 0.10 0.00 0.00 34.13 30.71 1di0 s GLU 49 CO 0.02 0.37 0.35 0.42 0.02 0.00 0.00 175.26 176.45 1di0 s ILE 50 N 0.13 5.18 -0.05 -1.63 1.09 -1.26 -1.86 121.20 122.80 1di0 s ILE 50 Ca 0.08 0.69 0.02 0.00 -1.10 0.00 0.00 60.65 60.34 1di0 s ILE 50 Cb -0.11 -3.66 0.01 0.00 -1.06 0.00 0.00 42.46 37.64 1di0 s ILE 50 CO -0.01 0.52 -0.11 -0.36 -0.10 0.00 0.00 174.94 174.89 1di0 s PHE 51 N -0.59 1.27 0.24 3.97 0.40 0.18 -4.93 117.98 118.51 1di0 s PHE 51 Ca 0.21 -0.42 -0.10 0.00 -0.60 0.00 0.00 56.93 56.02 1di0 s PHE 51 Cb -0.15 -0.93 -0.07 0.00 0.51 0.00 0.00 43.02 42.37 1di0 s PHE 51 CO 0.10 -0.21 0.57 -0.51 0.70 0.00 0.00 175.22 175.86 1di0 s ASP 52 N 0.54 6.64 -0.10 1.36 1.01 -1.26 -1.60 116.67 123.26 1di0 s ASP 52 Ca -0.11 0.96 -0.16 0.00 0.71 0.00 0.00 52.55 53.96 1di0 s ASP 52 Cb -0.14 -2.24 0.04 0.00 1.01 0.00 0.00 42.92 41.59 1di0 s ASP 52 CO 0.02 -0.09 0.40 0.54 0.21 0.00 0.00 175.17 176.26 1di0 s VAL 53 N -1.84 0.02 0.02 -1.27 0.11 -0.83 -4.93 120.40 111.69 1di0 s VAL 53 Ca 0.48 -0.16 -0.08 0.00 -2.93 0.00 0.00 61.98 59.30 1di0 s VAL 53 Cb -0.11 -0.63 -0.03 0.00 -1.53 0.00 0.00 36.38 34.08 1di0 s VAL 53 CO 0.21 -0.09 1.12 -0.65 -3.33 0.00 0.00 175.10 172.36 1di0 h PRO 54 N 4.72 -0.15 0.00 1.54 0.11 -1.95 -0.34 132.00 135.93 1di0 h PRO 54 Ca -0.28 0.01 -0.34 0.00 0.11 0.00 0.00 66.00 65.50 1di0 h PRO 54 Cb 1.18 0.03 -0.08 0.00 0.11 0.00 0.00 31.00 32.24 1di0 h PRO 54 CO 0.31 -0.10 -0.29 0.41 -0.21 0.00 0.00 178.00 178.12 1di0 n GLY 55 N -1.10 3.53 0.35 -0.55 0.00 -1.26 -2.05 105.19 104.10 1di0 n GLY 55 Ca -0.02 -2.01 0.01 0.00 0.00 0.00 0.00 46.02 44.00 1di0 n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1di0 h ALA 56 N 1.46 1.27 -0.28 4.61 0.00 -1.93 -1.98 119.26 122.41 1di0 h ALA 56 Ca -0.19 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 54.78 1di0 h ALA 56 Cb 0.77 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1di0 h ALA 56 CO 0.30 0.38 0.28 -0.92 0.00 0.00 0.00 179.25 179.30 1di0 h TYR 57 N 1.09 0.00 0.00 0.00 3.20 -1.96 -0.20 116.97 119.10 1di0 h TYR 57 Ca 0.39 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.26 1di0 h TYR 57 Cb 0.13 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.40 1di0 h TYR 57 CO -0.02 0.00 -0.19 0.39 -1.64 0.00 0.00 178.16 176.70 1di0 n GLU 58 N -3.88 0.12 -0.07 1.82 4.71 -0.74 -4.31 120.64 118.27 1di0 n GLU 58 Ca 0.04 0.07 -0.11 0.00 -0.01 0.00 0.00 57.16 57.16 1di0 n GLU 58 Cb 0.43 -1.61 -0.04 0.00 -1.01 0.00 0.00 31.44 29.21 1di0 n GLU 58 CO 0.00 0.00 0.00 0.82 0.09 0.00 0.00 177.13 178.04 1di0 h ILE 59 N 0.00 1.22 -0.49 -3.67 2.04 -1.09 -3.21 117.51 112.31 1di0 h ILE 59 Ca 0.00 -0.72 0.05 0.00 1.00 0.00 0.00 64.86 65.19 1di0 h ILE 59 Cb 0.61 1.25 -0.04 0.00 -0.74 0.00 0.00 36.82 37.89 1di0 h ILE 59 CO 0.00 0.23 0.23 -0.65 0.00 0.00 0.00 178.15 177.96 1di0 h PRO 60 N 0.19 0.45 0.00 2.37 0.11 -1.75 -0.56 132.00 132.81 1di0 h PRO 60 Ca 0.07 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 66.08 1di0 h PRO 60 Cb 0.30 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.30 1di0 h PRO 60 CO 0.00 0.30 -0.35 1.25 -0.21 0.00 0.00 178.00 178.99 1di0 h LEU 61 N 0.46 0.00 -0.19 2.35 5.85 -1.86 -0.93 115.31 120.99 1di0 h LEU 61 Ca 0.22 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.85 1di0 h LEU 61 Cb 0.14 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.17 1di0 h LEU 61 CO -0.16 0.35 -0.20 -0.74 -0.34 0.00 0.00 178.44 177.35 1di0 h HIS 62 N 0.00 0.56 -0.44 1.25 2.76 -1.48 -1.66 115.15 116.14 1di0 h HIS 62 Ca -0.00 -0.17 -0.00 0.00 -2.20 0.00 0.00 60.37 57.99 1di0 h HIS 62 Cb 0.71 -0.12 -0.02 0.00 1.55 0.00 0.00 27.41 29.53 1di0 h HIS 62 CO 0.00 0.84 0.26 0.00 -1.30 0.00 0.00 177.93 177.72 1di0 h ALA 63 N 0.63 0.56 -0.16 5.26 0.00 -0.61 -1.33 119.26 123.62 1di0 h ALA 63 Ca 0.03 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 54.90 1di0 h ALA 63 Cb 0.75 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 1di0 h ALA 63 CO 0.05 0.06 -0.03 -0.22 0.00 0.00 0.00 179.25 179.12 1di0 h LYS 64 N 0.58 0.02 -0.12 0.00 3.64 -1.10 0.65 116.57 120.23 1di0 h LYS 64 Ca 0.16 -0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.56 1di0 h LYS 64 Cb 0.02 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.81 1di0 h LYS 64 CO -0.03 0.01 -0.00 1.15 -2.27 0.00 0.00 179.45 178.31 1di0 h THR 65 N 0.02 0.91 0.18 1.00 2.02 -0.91 -0.68 112.91 115.45 1di0 h THR 65 Ca 0.07 -0.01 -0.01 0.00 0.77 0.00 0.00 66.41 67.23 1di0 h THR 65 Cb 0.11 0.87 0.00 0.00 -1.74 0.00 0.00 68.15 67.39 1di0 h THR 65 CO -0.15 0.01 -0.09 -0.07 0.37 0.00 0.00 175.52 175.59 1di0 h LEU 66 N 0.04 -0.21 -0.64 2.58 3.38 -1.06 -2.92 115.31 116.48 1di0 h LEU 66 Ca 0.06 -0.11 0.11 0.00 0.09 0.00 0.00 57.88 58.03 1di0 h LEU 66 Cb 0.07 0.05 -0.08 0.00 0.09 0.00 0.00 40.66 40.79 1di0 h LEU 66 CO -0.10 -0.02 0.23 0.00 0.09 0.00 0.00 178.44 178.64 1di0 h ALA 67 N 0.41 0.84 0.00 1.53 0.00 0.53 -0.47 119.26 122.10 1di0 h ALA 67 Ca -0.02 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1di0 h ALA 67 Cb 0.30 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1di0 h ALA 67 CO 0.04 -0.21 0.00 -2.13 0.00 0.00 0.00 179.25 176.95 1di0 n ARG 68 N -5.02 0.06 0.11 0.00 0.63 -0.28 -2.63 116.66 109.54 1di0 n ARG 68 Ca 0.10 0.28 0.13 0.00 -0.92 0.00 0.00 57.85 57.44 1di0 n ARG 68 Cb 0.31 -1.50 0.42 0.00 0.45 0.00 0.00 32.46 32.14 1di0 n ARG 68 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 1di0 n THR 69 N -1.36 0.65 0.00 5.15 -2.24 -0.18 -4.92 114.28 111.39 1di0 n THR 69 Ca 0.03 -0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 1di0 n THR 69 Cb 0.06 -0.71 0.00 0.00 -2.10 0.00 0.00 70.33 67.58 1di0 n THR 69 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1di0 n GLY 70 N 1.03 2.81 0.21 3.38 0.00 -1.08 -4.89 105.19 106.65 1di0 n GLY 70 Ca 0.05 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.21 1di0 n GLY 70 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1di0 h ARG 71 N 1.84 0.00 -6.30 1.61 3.08 -1.83 -3.46 114.38 109.32 1di0 h ARG 71 Ca 0.00 0.00 -0.67 0.00 0.07 0.00 0.00 59.98 59.38 1di0 h ARG 71 Cb 0.00 0.00 -0.30 0.00 0.08 0.00 0.00 29.97 29.75 1di0 h ARG 71 CO 0.00 0.00 -0.88 0.71 -1.07 0.00 0.00 179.97 178.73 1di0 s TYR 72 N -3.44 2.20 -0.19 3.04 1.51 -1.26 -4.44 117.35 114.78 1di0 s TYR 72 Ca 0.04 -0.47 0.24 0.00 -1.01 0.00 0.00 57.07 55.87 1di0 s TYR 72 Cb 0.09 -1.43 0.61 0.00 -0.11 0.00 0.00 41.96 41.13 1di0 s TYR 72 CO 0.52 -0.08 1.70 0.00 -1.11 0.00 0.00 175.55 176.59 1di0 h ALA 73 N 5.66 0.95 -2.29 3.71 0.00 -1.56 -3.47 119.26 122.26 1di0 h ALA 73 Ca -0.40 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 54.45 1di0 h ALA 73 Cb 1.14 -0.02 -0.16 0.00 0.00 0.00 0.00 17.79 18.74 1di0 h ALA 73 CO 0.47 0.14 0.37 0.00 0.00 0.00 0.00 179.25 180.24 1di0 s ALA 74 N -3.34 -1.77 -0.01 0.00 0.00 -1.25 -4.32 121.76 111.08 1di0 s ALA 74 Ca 0.04 1.03 0.04 0.00 0.00 0.00 0.00 51.96 53.08 1di0 s ALA 74 Cb 0.07 0.27 -0.01 0.00 0.00 0.00 0.00 23.12 23.45 1di0 s ALA 74 CO 0.65 -0.59 -0.13 0.42 0.00 0.00 0.00 175.76 176.11 1di0 s ILE 75 N -2.58 1.05 -0.14 0.00 1.01 -0.82 -1.73 121.20 117.99 1di0 s ILE 75 Ca -0.00 -0.58 0.02 0.00 0.00 0.00 0.00 60.65 60.08 1di0 s ILE 75 Cb -0.01 -0.88 0.01 0.00 0.01 0.00 0.00 42.46 41.60 1di0 s ILE 75 CO -0.05 0.28 -0.18 -0.69 0.00 0.00 0.00 174.94 174.30 1di0 s VAL 76 N -0.33 1.80 -0.18 2.92 1.01 0.77 -0.08 120.40 126.30 1di0 s VAL 76 Ca 0.05 -0.81 -0.05 0.00 0.00 0.00 0.00 61.98 61.17 1di0 s VAL 76 Cb -0.05 -1.62 -0.03 0.00 0.00 0.00 0.00 36.38 34.67 1di0 s VAL 76 CO -0.00 0.50 0.00 -0.83 0.00 0.00 0.00 175.10 174.77 1di0 s GLY 77 N 1.03 1.77 -0.05 4.51 0.00 -0.55 0.12 107.32 114.15 1di0 s GLY 77 Ca -0.04 -0.86 0.03 0.00 0.00 0.00 0.00 44.72 43.85 1di0 s GLY 77 CO -0.04 0.07 -0.12 0.00 0.00 0.00 0.00 173.10 173.01 1di0 s ALA 78 N 0.58 1.14 0.21 3.20 0.00 0.25 -0.70 121.76 126.44 1di0 s ALA 78 Ca -0.00 -0.42 -0.20 0.00 0.00 0.00 0.00 51.96 51.34 1di0 s ALA 78 Cb -0.14 -0.46 0.04 0.00 0.00 0.00 0.00 23.12 22.56 1di0 s ALA 78 CO 0.02 0.15 0.60 0.00 0.00 0.00 0.00 175.76 176.53 1di0 s ALA 79 N 0.40 -1.18 -0.21 0.00 0.00 -0.16 -1.74 121.76 118.87 1di0 s ALA 79 Ca -0.08 -0.07 0.02 0.00 0.00 0.00 0.00 51.96 51.82 1di0 s ALA 79 Cb -0.12 0.87 0.03 0.00 0.00 0.00 0.00 23.12 23.89 1di0 s ALA 79 CO 0.02 -0.86 -0.16 0.12 0.00 0.00 0.00 175.76 174.88 1di0 s PHE 80 N -3.86 2.95 -0.34 0.00 2.19 -1.26 -2.52 117.98 115.14 1di0 s PHE 80 Ca 0.08 -1.86 -0.01 0.00 0.33 0.00 0.00 56.93 55.47 1di0 s PHE 80 Cb -0.02 -1.93 0.08 0.00 -1.31 0.00 0.00 43.02 39.84 1di0 s PHE 80 CO -0.03 -0.83 0.08 0.08 1.83 0.00 0.00 175.22 176.35 1di0 s VAL 81 N 1.23 2.92 -0.56 3.12 1.01 -0.79 -4.94 120.40 122.40 1di0 s VAL 81 Ca 0.00 -1.82 -0.28 0.00 0.00 0.00 0.00 61.98 59.89 1di0 s VAL 81 Cb -0.15 -2.88 0.03 0.00 0.00 0.00 0.00 36.38 33.37 1di0 s VAL 81 CO -0.10 -0.40 1.14 -0.51 0.00 0.00 0.00 175.10 175.23 1di0 s ILE 82 N 1.14 4.11 -0.03 2.22 -1.16 -1.26 -4.07 121.20 122.15 1di0 s ILE 82 Ca 0.02 0.84 -0.18 0.00 -0.51 0.00 0.00 60.65 60.82 1di0 s ILE 82 Cb -0.21 -4.67 -0.05 0.00 0.61 0.00 0.00 42.46 38.14 1di0 s ILE 82 CO -0.04 -1.25 0.50 -0.62 -2.81 0.00 0.00 174.94 170.73 1di0 s ASP 83 N 2.85 6.84 0.00 4.50 3.68 -1.26 -4.84 116.67 128.45 1di0 s ASP 83 Ca 0.41 1.00 0.00 0.00 2.13 0.00 0.00 52.55 56.09 1di0 s ASP 83 Cb -0.08 -2.31 0.00 0.00 -1.45 0.00 0.00 42.92 39.08 1di0 s ASP 83 CO 0.25 0.14 0.00 0.61 0.13 0.00 0.00 175.17 176.31 1di0 n GLY 84 N 2.50 2.93 0.00 2.66 0.00 -1.26 -4.24 105.19 107.78 1di0 n GLY 84 Ca -0.09 -1.41 0.00 0.00 0.00 0.00 0.00 46.02 44.52 1di0 n GLY 84 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1di0 n GLY 85 N 1.22 0.26 0.27 -0.02 0.00 -1.26 -4.86 105.19 100.81 1di0 n GLY 85 Ca 0.00 -1.61 0.06 0.00 0.00 0.00 0.00 46.02 44.46 1di0 n GLY 85 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1di0 h ILE 86 N 0.00 1.07 -3.33 -0.61 1.08 -2.03 -3.41 117.51 110.28 1di0 h ILE 86 Ca 0.00 -0.21 -0.58 0.00 -0.39 0.00 0.00 64.86 63.68 1di0 h ILE 86 Cb 0.00 0.85 -0.09 0.00 -3.07 0.00 0.00 36.82 34.51 1di0 h ILE 86 CO 0.00 0.08 -0.18 -0.31 -0.69 0.00 0.00 178.15 177.05 1di0 s TYR 87 N -5.17 3.49 0.05 1.37 1.51 -1.26 -5.06 117.35 112.28 1di0 s TYR 87 Ca -0.06 0.81 -0.31 0.00 -1.01 0.00 0.00 57.07 56.50 1di0 s TYR 87 Cb 0.17 -2.51 -0.07 0.00 -0.11 0.00 0.00 41.96 39.44 1di0 s TYR 87 CO 0.70 0.17 1.55 0.34 -1.11 0.00 0.00 175.55 177.21 1di0 s ASP 88 N 0.61 6.70 0.00 2.29 -1.08 -1.26 -4.08 116.67 119.84 1di0 s ASP 88 Ca 0.24 2.36 0.00 0.00 -0.52 0.00 0.00 52.55 54.62 1di0 s ASP 88 Cb -0.15 -2.56 0.00 0.00 -1.46 0.00 0.00 42.92 38.75 1di0 s ASP 88 CO 0.09 -0.82 0.30 1.41 0.52 0.00 0.00 175.17 176.67 1di0 n HIS 89 N 5.35 0.00 0.22 -5.34 8.25 -1.26 -4.68 115.22 117.76 1di0 n HIS 89 Ca 0.15 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.69 1di0 n HIS 89 Cb 0.42 0.00 0.53 0.00 1.12 0.00 0.00 29.99 32.05 1di0 n HIS 89 CO 0.00 0.00 0.00 0.38 0.64 0.00 0.00 176.34 177.36 1di0 h ASP 90 N 0.00 0.00 -0.44 0.41 -0.00 -1.93 -2.87 116.42 111.59 1di0 h ASP 90 Ca 0.00 0.00 0.07 0.00 -0.00 0.00 0.00 57.03 57.10 1di0 h ASP 90 Cb 0.04 0.00 -0.06 0.00 -0.00 0.00 0.00 39.33 39.32 1di0 h ASP 90 CO 0.00 0.24 0.10 -0.26 -0.00 0.00 0.00 179.24 179.32 1di0 h PHE 91 N 0.00 0.17 -0.53 4.15 0.05 -2.00 -0.70 116.94 118.08 1di0 h PHE 91 Ca -0.00 0.03 -0.02 0.00 3.82 0.00 0.00 57.97 61.80 1di0 h PHE 91 Cb 0.57 -0.01 -0.02 0.00 2.00 0.00 0.00 35.95 38.48 1di0 h PHE 91 CO 0.00 0.03 0.27 0.28 -0.18 0.00 0.00 178.31 178.71 1di0 h VAL 92 N 0.24 1.19 -1.00 -0.55 2.07 -1.86 -2.00 116.25 114.35 1di0 h VAL 92 Ca 0.21 -0.52 0.05 0.00 0.82 0.00 0.00 66.70 67.26 1di0 h VAL 92 Cb 0.25 0.56 -0.06 0.00 -1.52 0.00 0.00 31.29 30.52 1di0 h VAL 92 CO -0.26 0.21 0.65 0.00 0.02 0.00 0.00 177.57 178.19 1di0 h ALA 93 N 1.11 1.37 -0.36 1.67 0.00 -1.41 -1.03 119.26 120.60 1di0 h ALA 93 Ca 0.18 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 1di0 h ALA 93 Cb 0.09 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1di0 h ALA 93 CO -0.03 0.51 -0.12 1.15 0.00 0.00 0.00 179.25 180.76 1di0 h THR 94 N 1.23 1.28 -0.92 0.00 2.02 -0.88 -1.33 112.91 114.31 1di0 h THR 94 Ca 0.41 -1.21 0.00 0.00 0.77 0.00 0.00 66.41 66.38 1di0 h THR 94 Cb 0.07 1.32 -0.05 0.00 -1.74 0.00 0.00 68.15 67.75 1di0 h THR 94 CO -0.14 0.40 0.58 0.00 0.37 0.00 0.00 175.52 176.73 1di0 h ALA 95 N 0.81 1.28 -0.03 6.16 0.00 -0.79 -2.17 119.26 124.52 1di0 h ALA 95 Ca 0.09 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1di0 h ALA 95 Cb 0.64 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1di0 h ALA 95 CO 0.04 0.63 -0.11 0.28 0.00 0.00 0.00 179.25 180.10 1di0 h VAL 96 N 1.26 1.47 -0.24 0.00 2.07 -1.13 0.31 116.25 119.98 1di0 h VAL 96 Ca 0.33 -1.53 -0.11 0.00 0.82 0.00 0.00 66.70 66.21 1di0 h VAL 96 Cb -0.09 2.40 -0.01 0.00 -1.52 0.00 0.00 31.29 32.06 1di0 h VAL 96 CO -0.07 0.42 -0.34 0.40 0.02 0.00 0.00 177.57 178.00 1di0 h ILE 97 N -0.44 1.29 -0.18 4.57 2.04 -1.23 -0.52 117.51 123.04 1di0 h ILE 97 Ca -0.00 -1.44 -0.08 0.00 1.00 0.00 0.00 64.86 64.33 1di0 h ILE 97 Cb 0.73 1.47 -0.00 0.00 -0.74 0.00 0.00 36.82 38.28 1di0 h ILE 97 CO 0.02 0.45 -0.21 0.78 0.00 0.00 0.00 178.15 179.19 1di0 h ASN 98 N 0.43 0.49 -0.94 1.72 -0.26 -1.45 -2.83 115.58 112.74 1di0 h ASN 98 Ca 0.05 -0.50 0.05 0.00 -0.56 0.00 0.00 56.30 55.34 1di0 h ASN 98 Cb 0.80 -0.14 -0.06 0.00 -1.06 0.00 0.00 38.32 37.86 1di0 h ASN 98 CO 0.06 0.89 0.62 1.23 -1.06 0.00 0.00 177.43 179.17 1di0 h GLY 99 N 0.10 1.38 1.16 2.83 0.00 -0.04 -0.49 103.07 108.02 1di0 h GLY 99 Ca 0.02 -0.45 -0.07 0.00 0.00 0.00 0.00 47.33 46.83 1di0 h GLY 99 CO 0.05 0.36 0.13 -0.33 0.00 0.00 0.00 176.54 176.76 1di0 h MET 100 N 1.14 1.04 -0.50 4.80 2.86 -1.11 -2.04 114.93 121.13 1di0 h MET 100 Ca 0.39 -0.25 -0.04 0.00 -2.06 0.00 0.00 59.70 57.74 1di0 h MET 100 Cb 0.10 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.60 1di0 h MET 100 CO -0.13 0.94 0.15 1.98 1.06 0.00 0.00 176.91 180.90 1di0 h MET 101 N 0.99 0.79 -0.52 1.72 -1.53 -1.01 -2.07 114.93 113.29 1di0 h MET 101 Ca 0.20 -0.18 0.03 0.00 -3.44 0.00 0.00 59.70 56.32 1di0 h MET 101 Cb 0.38 -0.11 -0.04 0.00 -0.55 0.00 0.00 31.60 31.29 1di0 h MET 101 CO 0.01 0.74 0.31 0.37 0.14 0.00 0.00 176.91 178.47 1di0 h GLN 102 N 0.68 0.59 -0.75 0.39 4.15 -0.88 -2.19 115.11 117.10 1di0 h GLN 102 Ca 0.16 -0.04 -0.04 0.00 0.77 0.00 0.00 58.65 59.50 1di0 h GLN 102 Cb 0.29 -0.13 -0.03 0.00 0.21 0.00 0.00 27.48 27.82 1di0 h GLN 102 CO -0.00 0.39 0.30 0.28 -1.93 0.00 0.00 178.83 177.87 1di0 h VAL 103 N 0.60 1.25 0.00 2.39 2.07 -1.16 -1.79 116.25 119.61 1di0 h VAL 103 Ca 0.22 -0.78 -0.08 0.00 0.82 0.00 0.00 66.70 66.87 1di0 h VAL 103 Cb 0.04 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.16 1di0 h VAL 103 CO -0.11 0.32 -0.38 0.06 0.02 0.00 0.00 177.57 177.48 1di0 h GLN 104 N 1.08 0.00 -0.05 1.57 3.07 -1.18 -1.16 115.11 118.44 1di0 h GLN 104 Ca 0.25 0.00 -0.16 0.00 0.09 0.00 0.00 58.65 58.83 1di0 h GLN 104 Cb 0.20 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.75 1di0 h GLN 104 CO -0.02 0.38 -0.69 -0.07 0.09 0.00 0.00 178.83 178.52 1di0 h LEU 105 N 0.00 0.26 0.11 0.06 3.38 -0.99 0.18 115.31 118.30 1di0 h LEU 105 Ca -0.00 -0.17 -0.31 0.00 0.09 0.00 0.00 57.88 57.49 1di0 h LEU 105 Cb 1.07 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 1di0 h LEU 105 CO 0.05 0.86 -1.57 -0.08 0.09 0.00 0.00 178.44 177.80 1di0 h GLU 106 N 0.15 0.23 0.00 1.13 4.81 -1.14 -3.35 114.58 116.41 1di0 h GLU 106 Ca -0.02 -0.40 0.00 0.00 -0.13 0.00 0.00 59.36 58.82 1di0 h GLU 106 Cb 1.23 0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.75 1di0 h GLU 106 CO 0.11 1.08 -1.12 0.25 -0.73 0.00 0.00 179.01 178.60 1di0 n THR 107 N -3.43 0.00 -2.52 0.32 -2.24 -0.46 -4.99 114.28 100.96 1di0 n THR 107 Ca -0.17 -0.16 -0.21 0.00 -2.27 0.00 0.00 64.05 61.24 1di0 n THR 107 Cb 1.04 0.77 -0.00 0.00 -2.10 0.00 0.00 70.33 70.04 1di0 n THR 107 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1di0 n GLU 108 N -1.61 -2.33 -4.50 -0.78 1.02 0.05 -4.97 120.64 107.51 1di0 n GLU 108 Ca 0.02 0.98 -0.33 0.00 -0.02 0.00 0.00 57.16 57.80 1di0 n GLU 108 Cb 0.34 -5.69 -0.15 0.00 -0.02 0.00 0.00 31.44 25.93 1di0 n GLU 108 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1di0 s VAL 109 N -3.06 2.91 0.21 2.62 1.01 -1.25 -5.07 120.40 117.76 1di0 s VAL 109 Ca 0.06 -0.69 -0.32 0.00 0.00 0.00 0.00 61.98 61.03 1di0 s VAL 109 Cb -0.03 -2.24 -0.13 0.00 0.00 0.00 0.00 36.38 33.98 1di0 s VAL 109 CO 0.07 0.50 1.51 -2.65 0.00 0.00 0.00 175.10 174.53 1di0 n PRO 110 N 4.00 2.15 -3.97 2.72 -0.02 -1.26 -4.54 135.00 134.07 1di0 n PRO 110 Ca -0.19 0.77 -0.34 0.00 -2.02 0.00 0.00 63.50 61.72 1di0 n PRO 110 Cb 0.52 -2.49 -0.14 0.00 -0.02 0.00 0.00 33.50 31.36 1di0 n PRO 110 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1di0 s VAL 111 N 0.41 2.74 -0.02 -1.45 1.01 -1.26 -1.95 120.40 119.89 1di0 s VAL 111 Ca 0.73 -1.21 -0.15 0.00 0.00 0.00 0.00 61.98 61.34 1di0 s VAL 111 Cb -0.65 -2.46 -0.05 0.00 0.00 0.00 0.00 36.38 33.21 1di0 s VAL 111 CO 0.44 0.10 0.42 -0.76 0.00 0.00 0.00 175.10 175.30 1di0 s LEU 112 N 1.27 4.44 -0.21 3.92 1.02 0.88 -4.96 118.68 125.05 1di0 s LEU 112 Ca -0.02 0.94 -0.14 0.00 0.02 0.00 0.00 54.13 54.93 1di0 s LEU 112 Cb -0.18 -2.60 -0.04 0.00 0.02 0.00 0.00 46.19 43.39 1di0 s LEU 112 CO -0.04 0.27 0.30 -0.55 0.02 0.00 0.00 176.35 176.35 1di0 s SER 113 N -0.81 6.33 -0.32 2.29 0.15 -1.26 -1.49 113.70 118.59 1di0 s SER 113 Ca 0.24 0.38 0.13 0.00 0.70 0.00 0.00 55.95 57.40 1di0 s SER 113 Cb -0.16 -2.18 0.46 0.00 -1.71 0.00 0.00 66.02 62.43 1di0 s SER 113 CO 0.13 0.00 1.09 0.52 1.20 0.00 0.00 173.24 176.18 1di0 n VAL 114 N 4.17 1.79 -3.60 4.45 0.31 0.13 -4.96 118.33 120.62 1di0 n VAL 114 Ca -0.11 -3.76 -0.40 0.00 -0.01 0.00 0.00 64.34 60.06 1di0 n VAL 114 Cb 0.51 -0.08 -0.09 0.00 -0.91 0.00 0.00 33.84 33.27 1di0 n VAL 114 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1di0 s VAL 115 N -4.26 4.08 -0.11 2.52 1.01 -1.24 -0.99 120.40 121.40 1di0 s VAL 115 Ca 0.38 -2.06 -0.12 0.00 0.00 0.00 0.00 61.98 60.18 1di0 s VAL 115 Cb 0.40 -3.68 -0.05 0.00 0.00 0.00 0.00 36.38 33.04 1di0 s VAL 115 CO -0.04 -0.80 0.27 -0.76 0.00 0.00 0.00 175.10 173.78 1di0 s LEU 116 N 1.02 4.33 -0.29 3.92 1.02 -1.05 -4.92 118.68 122.71 1di0 s LEU 116 Ca 0.09 0.59 0.01 0.00 0.02 0.00 0.00 54.13 54.84 1di0 s LEU 116 Cb -0.24 -2.34 0.09 0.00 0.02 0.00 0.00 46.19 43.73 1di0 s LEU 116 CO -0.02 0.23 0.04 -0.89 0.02 0.00 0.00 176.35 175.73 1di0 s THR 117 N -0.28 1.49 0.70 5.49 2.01 -1.26 -1.88 115.64 121.92 1di0 s THR 117 Ca 0.17 -1.62 -0.12 0.00 0.31 0.00 0.00 61.69 60.44 1di0 s THR 117 Cb -0.14 -2.00 0.02 0.00 0.01 0.00 0.00 72.50 70.39 1di0 s THR 117 CO 0.06 -0.48 1.07 -2.16 -0.69 0.00 0.00 174.62 172.43 1di0 s PRO 118 N 1.34 2.76 0.47 4.92 0.04 -1.26 -4.96 135.00 138.32 1di0 s PRO 118 Ca 0.05 1.08 0.18 0.00 0.04 0.00 0.00 61.00 62.35 1di0 s PRO 118 Cb -0.18 -1.96 1.14 0.00 0.04 0.00 0.00 34.50 33.53 1di0 s PRO 118 CO -0.14 -1.24 2.02 0.45 0.04 0.00 0.00 177.00 178.12 1di0 h HIS 119 N -0.66 0.00 0.00 0.56 3.86 -1.95 -3.36 115.15 113.60 1di0 h HIS 119 Ca -0.44 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.77 1di0 h HIS 119 Cb 1.22 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.69 1di0 h HIS 119 CO 0.60 0.16 0.00 1.58 0.86 0.00 0.00 177.93 181.13 1di0 n HIS 120 N -4.14 0.00 -1.38 2.45 -0.00 -1.26 -4.90 115.22 105.99 1di0 n HIS 120 Ca -0.02 0.00 -0.29 0.00 0.46 0.00 0.00 57.72 57.87 1di0 n HIS 120 Cb 0.24 0.00 0.16 0.00 -0.12 0.00 0.00 29.99 30.27 1di0 n HIS 120 CO 0.00 0.00 0.00 -0.59 0.46 0.00 0.00 176.34 176.21 1di0 s PHE 121 N 0.00 2.23 -0.49 1.57 -0.71 -1.26 -5.06 117.98 114.25 1di0 s PHE 121 Ca 0.00 0.86 0.06 0.00 -1.04 0.00 0.00 56.93 56.81 1di0 s PHE 121 Cb 0.00 -3.37 0.19 0.00 -1.21 0.00 0.00 43.02 38.63 1di0 s PHE 121 CO 0.00 -2.67 0.66 1.58 -1.34 0.00 0.00 175.22 173.45 1di0 n HIS 121 N -3.98 -3.10 0.00 3.49 -0.00 -1.26 -5.06 115.22 105.31 1di0 n HIS 121 Ca 0.06 -1.86 0.00 0.00 0.46 0.00 0.00 57.72 56.38 1di0 n HIS 121 Cb 0.59 1.19 0.00 0.00 -0.12 0.00 0.00 29.99 31.65 1di0 n HIS 121 CO 0.00 0.00 0.00 -0.85 0.46 0.00 0.00 176.34 175.95 1di0 n GLU 121 N 2.77 0.00 0.00 1.57 -0.00 -1.26 -4.90 120.64 118.81 1di0 n GLU 121 Ca 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.36 1di0 n GLU 121 Cb 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.99 1di0 n GLU 121 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 1di0 n SER 121 N 0.00 0.00 -0.04 -1.84 2.88 -1.26 -4.58 113.62 108.78 1di0 n SER 121 Ca 0.00 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.67 1di0 n SER 121 Cb 0.00 0.00 0.20 0.00 -0.75 0.00 0.00 64.21 63.66 1di0 n SER 121 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1di0 n LYS 122 N 1.33 0.01 0.42 -1.46 0.00 -1.26 0.26 118.16 117.46 1di0 n LYS 122 Ca 0.00 0.66 -0.19 0.00 -0.00 0.00 0.00 58.31 58.78 1di0 n LYS 122 Cb 0.00 -1.67 -0.09 0.00 -0.00 0.00 0.00 35.03 33.27 1di0 n LYS 122 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 1di0 h GLU 123 N 0.00 -1.11 0.16 -1.58 4.39 -1.98 -3.13 114.58 111.33 1di0 h GLU 123 Ca 0.23 0.08 -0.24 0.00 0.34 0.00 0.00 59.36 59.77 1di0 h GLU 123 Cb 1.75 0.25 0.02 0.00 -0.10 0.00 0.00 28.75 30.67 1di0 h GLU 123 CO -0.00 -0.74 -1.08 0.45 -1.16 0.00 0.00 179.01 176.48 1di0 h HIS 124 N -1.15 0.63 -1.05 4.33 3.86 0.33 -3.29 115.15 118.81 1di0 h HIS 124 Ca -0.10 -0.46 0.28 0.00 -1.16 0.00 0.00 60.37 58.92 1di0 h HIS 124 Cb 0.92 -0.03 -0.09 0.00 1.06 0.00 0.00 27.41 29.28 1di0 h HIS 124 CO -0.09 1.42 0.69 1.25 0.86 0.00 0.00 177.93 182.06 1di0 h HIS 125 N -0.23 0.58 0.00 2.45 2.76 -1.24 1.09 115.15 120.57 1di0 h HIS 125 Ca -0.20 0.02 -0.08 0.00 -2.20 0.00 0.00 60.37 57.91 1di0 h HIS 125 Cb 1.79 -0.17 -0.01 0.00 1.55 0.00 0.00 27.41 30.57 1di0 h HIS 125 CO 0.17 0.05 -0.53 -0.44 -1.30 0.00 0.00 177.93 175.87 1di0 h ASP 126 N 0.34 0.00 0.59 3.26 3.32 -1.67 -2.32 116.42 119.94 1di0 h ASP 126 Ca 0.59 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.61 1di0 h ASP 126 Cb 1.60 0.00 0.01 0.00 0.22 0.00 0.00 39.33 41.15 1di0 h ASP 126 CO -0.27 0.34 -0.28 0.15 -1.72 0.00 0.00 179.24 177.46 1di0 h PHE 127 N 0.00 -0.73 -0.70 4.55 3.57 0.11 -2.45 116.94 121.29 1di0 h PHE 127 Ca -0.02 -0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.54 1di0 h PHE 127 Cb 1.28 0.24 -0.04 0.00 2.79 0.00 0.00 35.95 40.22 1di0 h PHE 127 CO 0.00 -0.43 0.46 0.74 -2.23 0.00 0.00 178.31 176.85 1di0 h PHE 128 N -1.18 0.67 -0.39 0.41 0.05 -1.07 -0.12 116.94 115.31 1di0 h PHE 128 Ca -0.08 0.02 -0.08 0.00 3.82 0.00 0.00 57.97 61.64 1di0 h PHE 128 Cb 0.63 -0.22 -0.02 0.00 2.00 0.00 0.00 35.95 38.34 1di0 h PHE 128 CO 0.00 0.34 -0.10 0.45 -0.18 0.00 0.00 178.31 178.82 1di0 h HIS 129 N 0.65 0.73 0.29 -0.55 3.86 -1.44 -1.64 115.15 117.06 1di0 h HIS 129 Ca 0.31 -0.12 -0.01 0.00 -1.16 0.00 0.00 60.37 59.39 1di0 h HIS 129 Cb 0.38 -0.19 0.00 0.00 1.06 0.00 0.00 27.41 28.66 1di0 h HIS 129 CO -0.00 0.75 -0.14 0.00 0.86 0.00 0.00 177.93 179.40 1di0 h ALA 130 N 1.27 -0.40 -0.44 2.45 0.00 -0.69 -2.74 119.26 118.71 1di0 h ALA 130 Ca 0.11 -0.19 0.09 0.00 0.00 0.00 0.00 54.91 54.92 1di0 h ALA 130 Cb 0.53 0.15 -0.09 0.00 0.00 0.00 0.00 17.79 18.39 1di0 h ALA 130 CO 0.03 -0.49 -0.16 1.25 0.00 0.00 0.00 179.25 179.88 1di0 h HIS 131 N -0.85 -0.37 -0.40 0.00 6.17 -0.99 0.98 115.15 119.69 1di0 h HIS 131 Ca -0.04 0.04 0.05 0.00 0.71 0.00 0.00 60.37 61.13 1di0 h HIS 131 Cb 0.52 0.23 -0.02 0.00 2.52 0.00 0.00 27.41 30.66 1di0 h HIS 131 CO 0.04 -0.24 0.27 0.74 0.71 0.00 0.00 177.93 179.45 1di0 h PHE 132 N -0.06 0.33 -0.38 5.26 -1.00 -1.36 0.16 116.94 119.89 1di0 h PHE 132 Ca 0.21 0.01 -0.09 0.00 2.81 0.00 0.00 57.97 60.91 1di0 h PHE 132 Cb 0.39 -0.11 -0.02 0.00 3.61 0.00 0.00 35.95 39.82 1di0 h PHE 132 CO -0.42 0.19 -0.15 -0.22 -1.61 0.00 0.00 178.31 176.10 1di0 h LYS 133 N 0.34 0.69 0.07 1.51 3.64 -0.53 -0.34 116.57 121.95 1di0 h LYS 133 Ca 0.17 -0.23 -0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1di0 h LYS 133 Cb 0.25 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 1di0 h LYS 133 CO -0.04 0.80 -0.03 0.28 -2.27 0.00 0.00 179.45 178.19 1di0 h VAL 134 N 0.62 1.18 -0.14 2.00 2.07 0.24 -2.85 116.25 119.37 1di0 h VAL 134 Ca 0.10 -0.90 0.04 0.00 0.82 0.00 0.00 66.70 66.76 1di0 h VAL 134 Cb 0.60 1.76 -0.01 0.00 -1.52 0.00 0.00 31.29 32.12 1di0 h VAL 134 CO 0.04 0.22 0.10 0.11 0.02 0.00 0.00 177.57 178.06 1di0 h LYS 135 N -0.50 0.00 -0.56 1.57 1.79 -0.86 0.74 116.57 118.75 1di0 h LYS 135 Ca -0.01 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 58.39 1di0 h LYS 135 Cb 0.43 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.06 1di0 h LYS 135 CO 0.02 0.00 0.05 0.78 -1.08 0.00 0.00 179.45 179.22 1di0 h GLY 136 N 0.00 1.00 0.73 3.86 0.00 -0.89 -0.82 103.07 106.94 1di0 h GLY 136 Ca 0.07 -0.66 -0.05 0.00 0.00 0.00 0.00 47.33 46.69 1di0 h GLY 136 CO -0.00 0.61 -0.13 -2.08 0.00 0.00 0.00 176.54 174.94 1di0 h VAL 137 N 0.87 1.35 -0.51 4.60 2.07 -0.67 -2.42 116.25 121.53 1di0 h VAL 137 Ca 0.17 -1.28 0.04 0.00 0.82 0.00 0.00 66.70 66.46 1di0 h VAL 137 Cb 0.44 1.89 -0.04 0.00 -1.52 0.00 0.00 31.29 32.05 1di0 h VAL 137 CO 0.02 0.37 0.27 -0.33 0.02 0.00 0.00 177.57 177.91 1di0 h GLU 138 N -0.05 0.50 -0.59 1.57 5.08 -1.23 -1.85 114.58 118.01 1di0 h GLU 138 Ca 0.02 -0.03 0.09 0.00 -1.00 0.00 0.00 59.36 58.45 1di0 h GLU 138 Cb 0.65 -0.11 -0.07 0.00 0.50 0.00 0.00 28.75 29.71 1di0 h GLU 138 CO 0.03 0.33 0.19 0.00 -1.00 0.00 0.00 179.01 178.56 1di0 h ALA 139 N 1.27 0.73 -0.81 3.43 0.00 -1.07 0.93 119.26 123.74 1di0 h ALA 139 Ca 0.22 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 1di0 h ALA 139 Cb 0.12 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 1di0 h ALA 139 CO -0.15 -0.23 0.48 0.00 0.00 0.00 0.00 179.25 179.35 1di0 h ALA 140 N 1.42 1.32 -0.47 0.00 0.00 -0.85 0.47 119.26 121.14 1di0 h ALA 140 Ca 0.30 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 55.02 1di0 h ALA 140 Cb 0.39 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1di0 h ALA 140 CO -0.32 0.58 -0.05 0.45 0.00 0.00 0.00 179.25 179.91 1di0 h HIS 141 N 1.12 0.97 0.36 0.00 -0.00 -0.63 -2.46 115.15 114.50 1di0 h HIS 141 Ca 0.29 -0.19 -0.02 0.00 -0.00 0.00 0.00 60.37 60.46 1di0 h HIS 141 Cb -0.03 -0.24 0.00 0.00 -0.00 0.00 0.00 27.41 27.14 1di0 h HIS 141 CO 0.01 0.93 -0.17 0.00 -0.00 0.00 0.00 177.93 178.69 1di0 h ALA 142 N 0.90 -0.48 -0.67 2.45 0.00 0.02 -1.01 119.26 120.48 1di0 h ALA 142 Ca 0.13 -0.10 0.13 0.00 0.00 0.00 0.00 54.91 55.07 1di0 h ALA 142 Cb 0.58 0.19 -0.13 0.00 0.00 0.00 0.00 17.79 18.43 1di0 h ALA 142 CO 0.03 -0.77 -0.18 0.00 0.00 0.00 0.00 179.25 178.34 1di0 h ALA 143 N 0.17 0.42 -0.45 0.00 0.00 0.02 0.55 119.26 119.96 1di0 h ALA 143 Ca -0.05 0.26 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 1di0 h ALA 143 Cb 0.37 0.52 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 1di0 h ALA 143 CO 0.08 -0.43 0.12 -0.07 0.00 0.00 0.00 179.25 178.95 1di0 h LEU 144 N -0.01 0.68 -0.17 0.00 3.38 -1.17 -1.53 115.31 116.50 1di0 h LEU 144 Ca 0.32 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 1di0 h LEU 144 Cb 0.49 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1di0 h LEU 144 CO -0.69 0.73 0.01 -0.61 0.09 0.00 0.00 178.44 177.97 1di0 h GLN 145 N 0.60 0.29 -0.01 1.13 4.15 -0.47 -2.32 115.11 118.48 1di0 h GLN 145 Ca 0.14 -0.09 -0.07 0.00 0.77 0.00 0.00 58.65 59.41 1di0 h GLN 145 Cb 0.31 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.96 1di0 h GLN 145 CO 0.00 0.49 -0.32 0.97 -1.93 0.00 0.00 178.83 178.04 1di0 h ILE 146 N 0.05 1.23 -0.14 2.39 6.09 -0.78 -0.82 117.51 125.53 1di0 h ILE 146 Ca 0.05 -1.11 -0.18 0.00 -1.37 0.00 0.00 64.86 62.25 1di0 h ILE 146 Cb 0.35 1.59 -0.00 0.00 0.47 0.00 0.00 36.82 39.22 1di0 h ILE 146 CO 0.01 0.32 -0.65 0.58 -3.07 0.00 0.00 178.15 175.34 1di0 h VAL 147 N 0.02 1.34 -0.18 2.19 2.07 -1.06 -2.20 116.25 118.42 1di0 h VAL 147 Ca -0.00 -1.95 -0.08 0.00 0.82 0.00 0.00 66.70 65.49 1di0 h VAL 147 Cb 0.57 1.92 -0.00 0.00 -1.52 0.00 0.00 31.29 32.27 1di0 h VAL 147 CO 0.04 0.60 -0.20 -1.28 0.02 0.00 0.00 177.57 176.76 1di0 h SER 148 N 0.39 0.49 -0.66 0.57 0.87 -1.18 -2.57 113.55 111.44 1di0 h SER 148 Ca -0.01 -0.49 -0.03 0.00 -1.23 0.00 0.00 61.79 60.03 1di0 h SER 148 Cb 1.21 -0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 63.00 1di0 h SER 148 CO 0.12 0.87 0.29 -0.08 -0.53 0.00 0.00 176.83 177.51 1di0 h GLU 149 N 0.11 1.00 -0.38 2.24 4.57 -1.12 -2.96 114.58 118.04 1di0 h GLU 149 Ca 0.03 -0.15 -0.14 0.00 -1.18 0.00 0.00 59.36 57.91 1di0 h GLU 149 Cb 0.74 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 29.15 1di0 h GLU 149 CO 0.05 0.80 -0.33 0.00 -1.18 0.00 0.00 179.01 178.34 1di0 h ARG 150 N 0.98 0.86 0.00 1.92 3.08 -1.32 -2.23 114.38 117.67 1di0 h ARG 150 Ca 0.23 -0.41 0.00 0.00 0.07 0.00 0.00 59.98 59.87 1di0 h ARG 150 Cb 0.16 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.20 1di0 h ARG 150 CO -0.02 1.06 0.00 0.66 -1.07 0.00 0.00 179.97 180.59 1di0 h SER 151 N 0.71 0.00 0.00 7.04 4.64 -1.29 -2.78 113.55 121.87 1di0 h SER 151 Ca 0.07 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1di0 h SER 151 Cb 0.89 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.98 1di0 h SER 151 CO 0.08 0.00 -0.01 0.03 -0.87 0.00 0.00 176.83 176.06 1di0 h ARG 152 N 0.00 0.00 -3.77 4.77 3.08 -1.39 -3.42 114.38 113.65 1di0 h ARG 152 Ca 0.00 0.00 -0.78 0.00 0.07 0.00 0.00 59.98 59.27 1di0 h ARG 152 Cb 0.37 0.00 -0.27 0.00 0.08 0.00 0.00 29.97 30.15 1di0 h ARG 152 CO 0.00 0.00 0.12 0.42 -1.07 0.00 0.00 179.97 179.44 1di0 s ILE 153 N -1.57 5.54 0.00 2.04 1.09 -0.87 -5.13 121.20 122.30 1di0 s ILE 153 Ca -0.00 -2.67 0.00 0.00 -1.10 0.00 0.00 60.65 56.87 1di0 s ILE 153 Cb 0.00 -4.41 0.00 0.00 -1.06 0.00 0.00 42.46 36.99 1di0 s ILE 153 CO 0.01 -1.04 0.00 0.00 -0.10 0.00 0.00 174.94 173.80