#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nue s ASN 3 N 0.00 7.10 0.90 0.00 3.04 -1.26 -5.04 114.94 119.67 1nue s ASN 3 Ca 0.00 1.86 -0.10 0.00 0.04 0.00 0.00 52.86 54.66 1nue s ASN 3 Cb 0.00 -2.57 0.18 0.00 -1.54 0.00 0.00 41.25 37.32 1nue s ASN 3 CO 0.00 -0.51 1.12 0.18 -3.04 0.00 0.00 177.10 174.85 1nue n LEU 4 N 4.64 0.00 -4.75 3.21 4.32 -1.26 -5.06 117.00 118.09 1nue n LEU 4 Ca 0.10 -1.57 -0.34 0.00 -0.02 0.00 0.00 56.01 54.18 1nue n LEU 4 Cb 0.47 -0.81 0.06 0.00 -1.62 0.00 0.00 43.42 41.51 1nue n LEU 4 CO 0.55 -1.22 0.79 -0.70 -1.22 0.00 0.00 177.39 175.59 1nue s GLU 5 N -5.39 2.66 0.09 3.23 2.12 -1.23 -4.76 118.70 115.43 1nue s GLU 5 Ca 0.66 1.64 0.04 0.00 0.36 0.00 0.00 54.97 57.67 1nue s GLU 5 Cb -0.02 -1.91 -0.03 0.00 0.26 0.00 0.00 34.13 32.42 1nue s GLU 5 CO 0.46 -1.41 -0.11 1.03 -0.54 0.00 0.00 175.26 174.69 1nue s ARG 6 N -3.78 0.85 0.04 4.30 3.00 -1.26 -0.72 118.95 121.38 1nue s ARG 6 Ca 0.72 -1.12 0.00 0.00 0.00 0.00 0.00 55.73 55.33 1nue s ARG 6 Cb -0.26 -0.61 -0.03 0.00 0.00 0.00 0.00 34.95 34.06 1nue s ARG 6 CO 0.39 0.10 -0.04 -0.08 0.00 0.00 0.00 175.30 175.68 1nue s THR 7 N -2.20 0.24 -0.20 0.02 -1.32 -0.53 -4.69 115.64 106.96 1nue s THR 7 Ca 0.04 -1.21 -0.11 0.00 -1.21 0.00 0.00 61.69 59.20 1nue s THR 7 Cb -0.04 -0.70 -0.05 0.00 -1.51 0.00 0.00 72.50 70.20 1nue s THR 7 CO 0.01 -0.62 0.18 0.12 -2.21 0.00 0.00 174.62 172.10 1nue s PHE 8 N -2.16 3.41 -0.06 9.09 5.36 -1.26 -1.95 117.98 130.41 1nue s PHE 8 Ca -0.08 0.39 0.05 0.00 -0.96 0.00 0.00 56.93 56.33 1nue s PHE 8 Cb -0.05 -2.23 -0.00 0.00 -0.34 0.00 0.00 43.02 40.40 1nue s PHE 8 CO -0.03 0.24 -0.20 0.42 -1.46 0.00 0.00 175.22 174.19 1nue s ILE 9 N 0.49 1.69 -0.08 3.12 -1.09 -0.48 -2.07 121.20 122.78 1nue s ILE 9 Ca 0.10 -0.85 0.01 0.00 -2.23 0.00 0.00 60.65 57.69 1nue s ILE 9 Cb -0.12 -1.45 0.02 0.00 -1.58 0.00 0.00 42.46 39.33 1nue s ILE 9 CO 0.00 0.48 -0.09 0.00 -1.23 0.00 0.00 174.94 174.10 1nue s ALA 10 N 0.06 1.18 -0.24 9.38 0.00 -0.21 -0.86 121.76 131.08 1nue s ALA 10 Ca -0.06 -0.40 -0.24 0.00 0.00 0.00 0.00 51.96 51.26 1nue s ALA 10 Cb -0.13 -0.66 -0.01 0.00 0.00 0.00 0.00 23.12 22.32 1nue s ALA 10 CO 0.04 -0.09 0.78 0.42 0.00 0.00 0.00 175.76 176.91 1nue s ILE 11 N 1.07 4.87 0.92 0.00 1.01 -0.15 0.07 121.20 128.99 1nue s ILE 11 Ca -0.07 1.47 -0.12 0.00 0.00 0.00 0.00 60.65 61.93 1nue s ILE 11 Cb -0.14 -4.07 0.14 0.00 0.01 0.00 0.00 42.46 38.39 1nue s ILE 11 CO -0.01 -0.04 1.10 -0.54 0.00 0.00 0.00 174.94 175.45 1nue s LYS 12 N 2.71 1.11 0.39 2.79 1.02 0.62 -2.42 119.74 125.96 1nue s LYS 12 Ca 0.33 0.64 0.15 0.00 0.02 0.00 0.00 55.97 57.12 1nue s LYS 12 Cb -0.15 -1.81 1.02 0.00 -0.52 0.00 0.00 37.83 36.37 1nue s LYS 12 CO 0.08 -2.30 1.83 -1.35 -0.92 0.00 0.00 175.35 172.69 1nue h PRO 13 N -1.58 0.47 -0.00 -1.68 0.11 -1.86 -0.23 132.00 127.22 1nue h PRO 13 Ca -0.51 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 65.49 1nue h PRO 13 Cb 1.30 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1nue h PRO 13 CO 0.57 0.31 -0.40 0.38 -0.21 0.00 0.00 178.00 178.65 1nue h ASP 14 N 0.48 0.00 -0.19 -2.05 2.03 -1.89 -0.89 116.42 113.92 1nue h ASP 14 Ca 0.51 -0.00 -0.17 0.00 -0.73 0.00 0.00 57.03 56.64 1nue h ASP 14 Cb 1.16 -0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.65 1nue h ASP 14 CO -0.23 0.40 -0.49 1.23 -1.03 0.00 0.00 179.24 179.12 1nue h GLY 15 N 1.19 0.84 0.68 7.15 0.00 -1.23 -1.35 103.07 110.36 1nue h GLY 15 Ca -0.00 -0.93 -0.03 0.00 0.00 0.00 0.00 47.33 46.36 1nue h GLY 15 CO 0.05 0.84 -0.07 -2.08 0.00 0.00 0.00 176.54 175.28 1nue h VAL 16 N 0.60 1.34 -0.60 4.60 2.07 -1.26 -1.60 116.25 121.40 1nue h VAL 16 Ca 0.03 -1.15 0.00 0.00 0.82 0.00 0.00 66.70 66.40 1nue h VAL 16 Cb 1.07 1.88 -0.03 0.00 -1.52 0.00 0.00 31.29 32.69 1nue h VAL 16 CO 0.11 0.33 0.38 1.56 0.02 0.00 0.00 177.57 179.96 1nue h GLN 17 N -0.15 0.80 -0.36 1.57 1.08 -1.15 -1.75 115.11 115.15 1nue h GLN 17 Ca 0.02 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.17 1nue h GLN 17 Cb 0.55 -0.18 0.00 0.00 -0.05 0.00 0.00 27.48 27.80 1nue h GLN 17 CO 0.02 0.54 0.00 0.54 -0.95 0.00 0.00 178.83 178.98 1nue n ARG 18 N -4.43 1.85 -3.39 1.46 1.74 -0.51 -4.95 116.66 108.43 1nue n ARG 18 Ca 0.06 -1.32 -0.19 0.00 -0.77 0.00 0.00 57.85 55.63 1nue n ARG 18 Cb 0.05 -1.30 0.07 0.00 -1.02 0.00 0.00 32.46 30.27 1nue n ARG 18 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1nue n GLY 19 N 1.10 -0.32 0.63 -0.13 0.00 -0.66 -4.94 105.19 100.87 1nue n GLY 19 Ca 0.13 0.10 0.06 0.00 0.00 0.00 0.00 46.02 46.30 1nue n GLY 19 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1nue n LEU 20 N -4.20 2.85 0.09 0.99 4.77 -0.62 -4.72 117.00 116.16 1nue n LEU 20 Ca -0.08 -1.92 -0.12 0.00 -0.03 0.00 0.00 56.01 53.86 1nue n LEU 20 Cb 0.59 -0.21 -0.06 0.00 -2.33 0.00 0.00 43.42 41.40 1nue n LEU 20 CO 0.56 0.70 0.78 0.58 -1.33 0.00 0.00 177.39 178.68 1nue h VAL 21 N 2.05 0.71 -0.70 4.08 2.07 -1.89 -1.43 116.25 121.15 1nue h VAL 21 Ca 0.00 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.45 1nue h VAL 21 Cb 0.71 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 31.16 1nue h VAL 21 CO 0.00 0.00 0.18 1.23 0.02 0.00 0.00 177.57 179.00 1nue h GLY 22 N -0.25 1.20 0.99 2.17 0.00 -1.96 -1.38 103.07 103.84 1nue h GLY 22 Ca 0.02 -0.74 -0.00 0.00 0.00 0.00 0.00 47.33 46.60 1nue h GLY 22 CO -0.07 0.69 0.32 -2.09 0.00 0.00 0.00 176.54 175.40 1nue h GLU 23 N 1.05 0.73 -0.21 4.80 4.57 -1.83 -1.35 114.58 122.33 1nue h GLU 23 Ca 0.22 -0.07 -0.06 0.00 -1.18 0.00 0.00 59.36 58.27 1nue h GLU 23 Cb 0.36 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 28.79 1nue h GLU 23 CO 0.00 0.53 -0.09 0.82 -1.18 0.00 0.00 179.01 179.09 1nue h ILE 24 N 0.72 1.30 -0.86 2.32 2.04 -1.04 -2.95 117.51 119.06 1nue h ILE 24 Ca 0.19 -1.15 0.01 0.00 1.00 0.00 0.00 64.86 64.92 1nue h ILE 24 Cb -0.01 1.61 -0.04 0.00 -0.74 0.00 0.00 36.82 37.64 1nue h ILE 24 CO -0.04 0.35 0.57 0.40 0.00 0.00 0.00 178.15 179.43 1nue h ILE 25 N 0.14 1.20 -0.59 -0.67 2.04 -1.17 -2.33 117.51 116.13 1nue h ILE 25 Ca 0.05 -0.39 0.04 0.00 1.00 0.00 0.00 64.86 65.55 1nue h ILE 25 Cb 0.58 -0.04 -0.03 0.00 -0.74 0.00 0.00 36.82 36.59 1nue h ILE 25 CO 0.03 0.21 0.39 0.50 0.00 0.00 0.00 178.15 179.28 1nue h LYS 26 N 1.14 0.65 -0.60 2.37 3.64 -1.19 -1.57 116.57 121.01 1nue h LYS 26 Ca 0.32 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.61 1nue h LYS 26 Cb -0.10 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 31.55 1nue h LYS 26 CO -0.08 0.43 0.18 0.00 -2.27 0.00 0.00 179.45 177.71 1nue h ARG 27 N 0.67 0.91 -0.02 1.90 3.08 -1.24 -1.16 114.38 118.52 1nue h ARG 27 Ca 0.24 -0.18 -0.22 0.00 0.07 0.00 0.00 59.98 59.89 1nue h ARG 27 Cb 0.11 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.02 1nue h ARG 27 CO -0.06 0.79 -0.91 0.74 -1.07 0.00 0.00 179.97 179.46 1nue h PHE 28 N 0.88 0.62 -0.31 3.04 0.04 -1.33 -3.00 116.94 116.88 1nue h PHE 28 Ca 0.20 -0.32 -0.04 0.00 2.80 0.00 0.00 57.97 60.60 1nue h PHE 28 Cb 0.27 -0.07 -0.01 0.00 2.20 0.00 0.00 35.95 38.33 1nue h PHE 28 CO 0.02 1.14 0.04 0.93 -0.60 0.00 0.00 178.31 179.84 1nue h GLU 29 N 0.25 0.52 -0.67 1.51 5.08 -1.13 -2.86 114.58 117.28 1nue h GLU 29 Ca -0.07 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.14 1nue h GLU 29 Cb 1.54 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 30.69 1nue h GLU 29 CO 0.16 0.62 0.38 1.96 -1.00 0.00 0.00 179.01 181.13 1nue h GLN 30 N 0.34 0.91 0.00 2.33 4.20 -1.30 -2.25 115.11 119.34 1nue h GLN 30 Ca 0.09 -0.09 -0.04 0.00 0.06 0.00 0.00 58.65 58.68 1nue h GLN 30 Cb 0.36 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.94 1nue h GLN 30 CO 0.01 0.66 -0.19 -0.22 -0.67 0.00 0.00 178.83 178.42 1nue h LYS 31 N 0.92 0.00 0.00 1.46 1.63 -1.36 -3.47 116.57 115.75 1nue h LYS 31 Ca 0.24 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.04 1nue h LYS 31 Cb -0.00 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.63 1nue h LYS 31 CO -0.04 0.19 0.00 0.41 -3.45 0.00 0.00 179.45 176.55 1nue n GLY 32 N -0.75 1.04 3.81 5.01 0.00 -0.85 -5.10 105.19 108.35 1nue n GLY 32 Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 1nue n GLY 32 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1nue s PHE 33 N -2.00 3.15 -0.21 1.61 0.08 -1.10 -5.02 117.98 114.50 1nue s PHE 33 Ca 0.00 1.55 -0.10 0.00 0.12 0.00 0.00 56.93 58.50 1nue s PHE 33 Cb 0.00 -2.95 -0.05 0.00 -0.57 0.00 0.00 43.02 39.45 1nue s PHE 33 CO 0.00 -0.62 0.15 0.50 -0.10 0.00 0.00 175.22 175.14 1nue s ARG 34 N -3.53 4.16 -0.11 0.44 3.52 -0.65 -4.62 118.95 118.15 1nue s ARG 34 Ca 0.64 -0.22 -0.30 0.00 -0.13 0.00 0.00 55.73 55.72 1nue s ARG 34 Cb -0.13 -3.45 -0.02 0.00 -1.56 0.00 0.00 34.95 29.78 1nue s ARG 34 CO 0.23 0.23 1.19 -1.17 -0.81 0.00 0.00 175.30 174.98 1nue s LEU 35 N 0.56 4.23 -0.22 -0.88 2.96 -1.26 -0.50 118.68 123.57 1nue s LEU 35 Ca 0.08 1.71 0.05 0.00 -0.22 0.00 0.00 54.13 55.76 1nue s LEU 35 Cb -0.12 -3.55 -0.17 0.00 0.50 0.00 0.00 46.19 42.85 1nue s LEU 35 CO -0.00 -0.64 -0.14 0.52 -1.32 0.00 0.00 176.35 174.78 1nue n VAL 36 N 4.92 1.29 -3.70 1.68 0.31 0.45 -4.95 118.33 118.33 1nue n VAL 36 Ca 0.12 -0.57 -0.14 0.00 -0.01 0.00 0.00 64.34 63.74 1nue n VAL 36 Cb 0.46 -1.11 -0.08 0.00 -0.91 0.00 0.00 33.84 32.20 1nue n VAL 36 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1nue s ALA 37 N -2.45 -1.00 -0.28 3.52 0.00 -1.16 -0.84 121.76 119.54 1nue s ALA 37 Ca -0.25 0.52 -0.19 0.00 0.00 0.00 0.00 51.96 52.04 1nue s ALA 37 Cb 0.07 0.09 0.10 0.00 0.00 0.00 0.00 23.12 23.38 1nue s ALA 37 CO 0.58 -0.30 0.81 1.41 0.00 0.00 0.00 175.76 178.26 1nue s MET 38 N -1.43 0.62 0.10 0.00 0.00 -1.26 -1.22 119.30 116.10 1nue s MET 38 Ca -0.12 0.96 -0.12 0.00 0.00 0.00 0.00 55.69 56.41 1nue s MET 38 Cb -0.04 0.19 0.01 0.00 0.00 0.00 0.00 34.83 34.99 1nue s MET 38 CO 0.05 -0.11 0.27 -1.59 0.00 0.00 0.00 175.02 173.64 1nue s LYS 39 N 1.15 0.93 -0.10 4.11 -2.85 -0.60 -5.00 119.74 117.37 1nue s LYS 39 Ca -0.06 -0.84 0.04 0.00 -1.00 0.00 0.00 55.97 54.10 1nue s LYS 39 Cb -0.05 0.39 0.00 0.00 -2.06 0.00 0.00 37.83 36.11 1nue s LYS 39 CO -0.13 -0.32 -0.24 0.12 0.10 0.00 0.00 175.35 174.88 1nue s PHE 40 N -3.78 2.57 0.11 1.78 5.36 -1.26 -1.03 117.98 121.73 1nue s PHE 40 Ca 0.04 -1.08 -0.25 0.00 -0.96 0.00 0.00 56.93 54.68 1nue s PHE 40 Cb 0.03 -1.72 0.07 0.00 -0.34 0.00 0.00 43.02 41.07 1nue s PHE 40 CO -0.11 -0.44 0.80 -0.48 -1.46 0.00 0.00 175.22 173.53 1nue s LEU 41 N 0.39 -0.37 -0.34 6.12 2.34 -0.80 -4.97 118.68 121.05 1nue s LEU 41 Ca -0.18 -0.16 -0.12 0.00 0.06 0.00 0.00 54.13 53.73 1nue s LEU 41 Cb -0.18 2.31 -0.00 0.00 -0.56 0.00 0.00 46.19 47.75 1nue s LEU 41 CO 0.08 -0.87 0.21 -0.60 -1.06 0.00 0.00 176.35 174.11 1nue s ARG 42 N -3.44 3.30 0.29 1.48 3.52 -1.26 -0.04 118.95 122.81 1nue s ARG 42 Ca 0.06 -0.76 -0.29 0.00 -0.13 0.00 0.00 55.73 54.61 1nue s ARG 42 Cb -0.02 -3.73 -0.09 0.00 -1.56 0.00 0.00 34.95 29.55 1nue s ARG 42 CO -0.06 -0.50 1.05 0.00 -0.81 0.00 0.00 175.30 174.98 1nue s ALA 43 N 1.66 3.33 0.75 6.12 0.00 -1.26 -5.02 121.76 127.34 1nue s ALA 43 Ca 0.05 0.78 -0.11 0.00 0.00 0.00 0.00 51.96 52.68 1nue s ALA 43 Cb -0.18 -3.28 0.04 0.00 0.00 0.00 0.00 23.12 19.70 1nue s ALA 43 CO 0.08 -0.06 1.08 -1.54 0.00 0.00 0.00 175.76 175.32 1nue s SER 44 N -1.09 4.88 0.37 0.00 1.04 -1.26 -4.61 113.70 113.02 1nue s SER 44 Ca 0.46 1.59 0.08 0.00 0.48 0.00 0.00 55.95 58.56 1nue s SER 44 Cb -0.28 -2.39 0.72 0.00 0.10 0.00 0.00 66.02 64.17 1nue s SER 44 CO 0.36 -1.76 1.90 -0.33 0.98 0.00 0.00 173.24 174.39 1nue h GLU 45 N -0.94 0.35 -0.31 4.02 5.08 -1.96 -1.33 114.58 119.49 1nue h GLU 45 Ca -0.45 -0.08 -0.15 0.00 -1.00 0.00 0.00 59.36 57.68 1nue h GLU 45 Cb 1.23 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 1nue h GLU 45 CO 0.56 0.44 -0.42 0.93 -1.00 0.00 0.00 179.01 179.52 1nue h GLU 46 N 0.33 0.76 -0.37 2.33 4.39 -2.00 -1.60 114.58 118.42 1nue h GLU 46 Ca 0.07 -0.41 -0.03 0.00 0.34 0.00 0.00 59.36 59.33 1nue h GLU 46 Cb 0.36 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.01 1nue h GLU 46 CO 0.02 1.03 0.12 1.25 -1.16 0.00 0.00 179.01 180.27 1nue h HIS 47 N 0.62 0.60 -0.47 4.33 2.76 -1.80 -2.55 115.15 118.63 1nue h HIS 47 Ca 0.05 -0.06 -0.05 0.00 -2.20 0.00 0.00 60.37 58.11 1nue h HIS 47 Cb 0.98 -0.17 -0.02 0.00 1.55 0.00 0.00 27.41 29.74 1nue h HIS 47 CO 0.05 0.56 0.08 -0.07 -1.30 0.00 0.00 177.93 177.26 1nue h LEU 48 N 0.46 0.68 -1.03 0.26 3.38 -1.15 -1.27 115.31 116.64 1nue h LEU 48 Ca 0.12 -0.12 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 1nue h LEU 48 Cb 0.24 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 1nue h LEU 48 CO -0.00 0.69 -0.10 0.11 0.09 0.00 0.00 178.44 179.23 1nue h LYS 49 N 0.70 0.59 -0.22 1.13 1.57 -1.04 -0.66 116.57 118.63 1nue h LYS 49 Ca 0.15 -0.17 -0.05 0.00 -1.87 0.00 0.00 60.65 58.71 1nue h LYS 49 Cb 0.31 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 1nue h LYS 49 CO 0.00 0.68 -0.08 1.96 -0.57 0.00 0.00 179.45 181.45 1nue h GLN 50 N 0.54 0.44 -0.62 3.15 1.08 -1.02 0.38 115.11 119.06 1nue h GLN 50 Ca 0.10 -0.18 0.08 0.00 -1.45 0.00 0.00 58.65 57.20 1nue h GLN 50 Cb 0.49 -0.02 -0.06 0.00 -0.05 0.00 0.00 27.48 27.84 1nue h GLN 50 CO 0.03 0.70 0.28 1.25 -0.95 0.00 0.00 178.83 180.14 1nue h HIS 51 N 0.15 0.51 -0.73 2.96 2.76 -0.85 -2.40 115.15 117.55 1nue h HIS 51 Ca 0.05 0.03 -0.34 0.00 -2.20 0.00 0.00 60.37 57.91 1nue h HIS 51 Cb 0.55 -0.14 -0.20 0.00 1.55 0.00 0.00 27.41 29.17 1nue h HIS 51 CO 0.06 0.19 0.34 0.66 -1.30 0.00 0.00 177.93 177.88 1nue n TYR 52 N -4.91 2.29 0.14 5.26 4.01 -0.29 -4.72 117.16 118.95 1nue n TYR 52 Ca 0.08 -1.60 0.16 0.00 -0.16 0.00 0.00 57.90 56.38 1nue n TYR 52 Cb 0.23 -0.74 0.73 0.00 -0.31 0.00 0.00 39.34 39.25 1nue n TYR 52 CO 0.00 0.00 0.00 0.97 -0.46 0.00 0.00 176.86 177.37 1nue h ILE 53 N 1.40 0.71 0.00 -0.72 2.10 -0.38 -0.78 117.51 119.84 1nue h ILE 53 Ca 0.41 0.00 0.00 0.00 1.08 0.00 0.00 64.86 66.35 1nue h ILE 53 Cb 2.36 0.84 0.00 0.00 -1.09 0.00 0.00 36.82 38.93 1nue h ILE 53 CO 0.79 0.00 0.00 -0.90 -1.08 0.00 0.00 178.15 176.96 1nue n ASP 54 N -4.21 0.00 -0.48 2.19 5.75 -1.26 -2.63 116.55 115.90 1nue n ASP 54 Ca 0.03 0.32 0.06 0.00 -0.01 0.00 0.00 54.79 55.19 1nue n ASP 54 Cb 0.36 -0.42 0.14 0.00 -1.03 0.00 0.00 41.12 40.18 1nue n ASP 54 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1nue n LEU 55 N -1.42 2.89 0.32 -2.12 4.77 -0.30 -4.72 117.00 116.42 1nue n LEU 55 Ca 0.06 -2.41 0.20 0.00 -0.03 0.00 0.00 56.01 53.83 1nue n LEU 55 Cb 0.20 -0.29 1.08 0.00 -2.33 0.00 0.00 43.42 42.08 1nue n LEU 55 CO 0.16 0.66 1.17 0.07 -1.33 0.00 0.00 177.39 178.12 1nue h LYS 56 N 1.24 0.00 -0.49 3.23 2.10 -1.53 -1.27 116.57 119.85 1nue h LYS 56 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1nue h LYS 56 Cb 0.90 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.23 1nue h LYS 56 CO 0.06 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.26 1nue n ASP 57 N -3.22 3.48 -4.81 7.07 8.00 -1.26 -4.91 116.55 120.90 1nue n ASP 57 Ca -0.02 -1.98 -0.35 0.00 0.71 0.00 0.00 54.79 53.14 1nue n ASP 57 Cb 0.15 -0.32 -0.06 0.00 -0.02 0.00 0.00 41.12 40.87 1nue n ASP 57 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1nue s ARG 58 N -1.36 4.27 0.58 -1.24 1.81 -0.48 -4.96 118.95 117.57 1nue s ARG 58 Ca 0.41 0.95 0.27 0.00 -1.72 0.00 0.00 55.73 55.65 1nue s ARG 58 Cb 0.23 -2.71 1.73 0.00 -0.45 0.00 0.00 34.95 33.76 1nue s ARG 58 CO 0.32 0.28 2.24 -1.00 -0.68 0.00 0.00 175.30 176.46 1nue h PRO 59 N 2.99 0.00 -0.00 3.54 0.13 -1.92 -1.32 132.00 135.42 1nue h PRO 59 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1nue h PRO 59 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1nue h PRO 59 CO 0.65 0.00 -0.40 1.97 -0.23 0.00 0.00 178.00 179.99 1nue n PHE 60 N -3.96 0.00 -0.11 1.56 1.16 -1.26 -4.47 117.46 110.38 1nue n PHE 60 Ca -0.03 0.00 -0.05 0.00 -1.87 0.00 0.00 57.45 55.50 1nue n PHE 60 Cb 0.08 -0.20 0.01 0.00 -1.61 0.00 0.00 39.48 37.76 1nue n PHE 60 CO 0.00 0.00 0.00 0.35 -1.87 0.00 0.00 176.76 175.24 1nue h PHE 61 N 0.46 -0.45 -0.87 2.97 3.57 -1.48 0.17 116.94 121.32 1nue h PHE 61 Ca 0.00 0.04 0.04 0.00 3.53 0.00 0.00 57.97 61.58 1nue h PHE 61 Cb 0.50 0.26 -0.05 0.00 2.79 0.00 0.00 35.95 39.44 1nue h PHE 61 CO 0.00 -0.26 0.56 -1.35 -2.23 0.00 0.00 178.31 175.03 1nue h PRO 62 N -0.11 1.05 -0.36 6.41 0.11 -1.79 -1.59 132.00 135.72 1nue h PRO 62 Ca 0.19 -0.06 -0.13 0.00 0.11 0.00 0.00 66.00 66.11 1nue h PRO 62 Cb 0.40 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 31.27 1nue h PRO 62 CO -0.46 0.69 -0.29 0.78 -0.21 0.00 0.00 178.00 178.51 1nue h GLY 63 N 1.08 0.83 1.00 -0.55 0.00 -1.67 -2.29 103.07 101.46 1nue h GLY 63 Ca 0.35 -0.76 -0.00 0.00 0.00 0.00 0.00 47.33 46.93 1nue h GLY 63 CO -0.13 0.69 0.33 -2.00 0.00 0.00 0.00 176.54 175.43 1nue h LEU 64 N 0.65 0.63 -0.35 3.11 5.85 -0.43 -0.08 115.31 124.70 1nue h LEU 64 Ca 0.08 -0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.71 1nue h LEU 64 Cb 0.81 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.67 1nue h LEU 64 CO 0.07 0.49 0.04 0.58 -0.34 0.00 0.00 178.44 179.28 1nue h VAL 65 N 0.72 1.24 -0.30 1.05 2.07 -1.20 -0.31 116.25 119.52 1nue h VAL 65 Ca 0.19 -0.86 -0.01 0.00 0.82 0.00 0.00 66.70 66.84 1nue h VAL 65 Cb -0.03 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 1nue h VAL 65 CO -0.04 0.29 0.14 0.11 0.02 0.00 0.00 177.57 178.09 1nue h LYS 66 N 0.41 0.44 -0.76 1.57 1.79 -1.24 -1.57 116.57 117.20 1nue h LYS 66 Ca 0.10 -0.07 -0.04 0.00 -2.18 0.00 0.00 60.65 58.47 1nue h LYS 66 Cb 0.38 -0.08 -0.03 0.00 -1.58 0.00 0.00 32.23 30.91 1nue h LYS 66 CO 0.01 0.42 0.34 -0.92 -1.08 0.00 0.00 179.45 178.22 1nue h TYR 67 N 0.35 1.12 0.00 -1.35 3.20 -0.88 -0.70 116.97 118.71 1nue h TYR 67 Ca 0.10 -0.06 -0.02 0.00 3.14 0.00 0.00 58.73 61.89 1nue h TYR 67 Cb 0.13 -0.34 -0.00 0.00 1.54 0.00 0.00 36.73 38.06 1nue h TYR 67 CO -0.02 0.83 -0.11 0.52 -1.64 0.00 0.00 178.16 177.74 1nue h MET 68 N 1.10 0.00 -0.00 1.82 2.86 -0.79 -2.21 114.93 117.70 1nue h MET 68 Ca 0.26 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.90 1nue h MET 68 Cb 0.16 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.82 1nue h MET 68 CO -0.03 0.11 -0.55 -1.71 1.06 0.00 0.00 176.91 175.80 1nue n ASN 69 N -3.31 1.02 0.00 1.22 2.85 -0.61 -4.36 115.26 112.06 1nue n ASN 69 Ca -0.00 -0.81 0.08 0.00 -0.11 0.00 0.00 54.58 53.73 1nue n ASN 69 Cb 0.33 0.43 0.34 0.00 1.24 0.00 0.00 39.78 42.12 1nue n ASN 69 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 1nue n SER 70 N -1.02 0.00 -3.30 1.20 3.41 -0.35 -4.84 113.62 108.72 1nue n SER 70 Ca 0.08 0.50 -0.05 0.00 -0.26 0.00 0.00 58.87 59.14 1nue n SER 70 Cb 0.36 -0.50 0.02 0.00 -0.26 0.00 0.00 64.21 63.83 1nue n SER 70 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1nue s GLY 71 N -3.00 0.14 0.74 5.00 0.00 -1.26 -5.11 107.32 103.84 1nue s GLY 71 Ca 0.08 -0.39 -0.11 0.00 0.00 0.00 0.00 44.72 44.30 1nue s GLY 71 CO 0.29 1.50 1.08 2.56 0.00 0.00 0.00 173.10 178.53 1nue s PRO 72 N -2.34 2.51 0.05 2.90 0.04 -1.26 -4.62 135.00 132.28 1nue s PRO 72 Ca 0.19 1.01 0.04 0.00 0.04 0.00 0.00 61.00 62.29 1nue s PRO 72 Cb -0.03 -1.94 -0.02 0.00 0.04 0.00 0.00 34.50 32.55 1nue s PRO 72 CO 0.06 -1.42 -0.13 0.08 0.04 0.00 0.00 177.00 175.64 1nue s VAL 73 N -2.99 1.00 -0.36 -0.36 1.01 0.95 -3.71 120.40 115.94 1nue s VAL 73 Ca 0.60 -1.06 -0.11 0.00 0.00 0.00 0.00 61.98 61.40 1nue s VAL 73 Cb -0.16 -0.94 0.01 0.00 0.00 0.00 0.00 36.38 35.30 1nue s VAL 73 CO 0.55 -0.11 0.21 -0.69 0.00 0.00 0.00 175.10 175.06 1nue s VAL 74 N -1.01 4.72 -0.11 2.92 1.01 -1.02 -1.90 120.40 125.01 1nue s VAL 74 Ca -0.01 -0.68 -0.13 0.00 0.00 0.00 0.00 61.98 61.16 1nue s VAL 74 Cb -0.08 -3.56 -0.05 0.00 0.00 0.00 0.00 36.38 32.69 1nue s VAL 74 CO 0.01 -0.15 0.32 0.00 0.00 0.00 0.00 175.10 175.28 1nue s ALA 75 N 1.60 3.65 0.06 5.51 0.00 -0.20 -0.98 121.76 131.39 1nue s ALA 75 Ca 0.03 -0.40 -0.04 0.00 0.00 0.00 0.00 51.96 51.55 1nue s ALA 75 Cb -0.18 -2.35 -0.02 0.00 0.00 0.00 0.00 23.12 20.56 1nue s ALA 75 CO 0.07 0.25 0.07 -1.64 0.00 0.00 0.00 175.76 174.51 1nue s MET 76 N -0.11 0.65 -0.08 0.00 -1.94 -0.04 -1.56 119.30 116.23 1nue s MET 76 Ca 0.19 -0.98 0.02 0.00 -1.71 0.00 0.00 55.69 53.21 1nue s MET 76 Cb -0.14 0.25 0.01 0.00 2.01 0.00 0.00 34.83 36.96 1nue s MET 76 CO 0.07 -0.16 -0.13 0.08 -0.01 0.00 0.00 175.02 174.87 1nue s VAL 77 N -3.39 1.23 0.06 -6.03 1.01 -0.36 -1.38 120.40 111.54 1nue s VAL 77 Ca 0.02 -0.51 0.09 0.00 0.00 0.00 0.00 61.98 61.58 1nue s VAL 77 Cb 0.04 -1.13 -0.03 0.00 0.00 0.00 0.00 36.38 35.26 1nue s VAL 77 CO -0.08 0.38 -0.24 0.26 0.00 0.00 0.00 175.10 175.42 1nue s TRP 78 N 0.81 2.39 0.06 5.22 0.52 -0.82 -0.41 118.94 126.70 1nue s TRP 78 Ca -0.12 -0.36 0.09 0.00 0.02 0.00 0.00 56.10 55.74 1nue s TRP 78 Cb -0.15 -1.38 -0.03 0.00 -1.15 0.00 0.00 33.47 30.76 1nue s TRP 78 CO 0.02 0.21 -0.25 -2.00 0.02 0.00 0.00 176.95 174.95 1nue s GLU 79 N -1.50 1.65 0.00 4.98 2.12 0.34 -1.45 118.70 124.84 1nue s GLU 79 Ca 0.13 -1.11 0.00 0.00 0.36 0.00 0.00 54.97 54.35 1nue s GLU 79 Cb -0.10 -1.86 0.00 0.00 0.26 0.00 0.00 34.13 32.43 1nue s GLU 79 CO 0.04 0.47 0.00 0.41 -0.54 0.00 0.00 175.26 175.64 1nue n GLY 80 N 1.65 1.95 3.65 -1.50 0.00 0.11 -1.64 105.19 109.42 1nue n GLY 80 Ca -0.17 -0.93 -0.42 0.00 0.00 0.00 0.00 46.02 44.49 1nue n GLY 80 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1nue s LEU 81 N 0.00 4.29 -1.78 0.99 2.96 -1.26 -2.17 118.68 121.71 1nue s LEU 81 Ca 0.00 2.39 0.00 0.00 -0.22 0.00 0.00 54.13 56.30 1nue s LEU 81 Cb 0.00 -3.53 0.00 0.00 0.50 0.00 0.00 46.19 43.16 1nue s LEU 81 CO 0.00 -1.08 0.00 0.59 -1.32 0.00 0.00 176.35 174.54 1nue n ASN 82 N 7.74 -5.86 0.24 3.68 4.13 -1.26 -4.89 115.26 119.04 1nue n ASN 82 Ca 0.20 0.00 0.07 0.00 1.68 0.00 0.00 54.58 56.53 1nue n ASN 82 Cb 0.42 -4.89 0.58 0.00 -1.54 0.00 0.00 39.78 34.36 1nue n ASN 82 CO 0.00 0.00 0.00 1.62 0.28 0.00 0.00 177.26 179.16 1nue h VAL 83 N 0.00 1.01 0.76 2.41 3.04 -1.73 -1.40 116.25 120.34 1nue h VAL 83 Ca -0.49 -0.43 -0.04 0.00 -1.01 0.00 0.00 66.70 64.74 1nue h VAL 83 Cb 1.36 1.23 0.01 0.00 -2.01 0.00 0.00 31.29 31.88 1nue h VAL 83 CO 0.58 0.12 -0.37 0.58 -1.01 0.00 0.00 177.57 177.47 1nue h VAL 84 N 0.00 0.08 -0.42 1.51 2.07 -1.86 0.29 116.25 117.92 1nue h VAL 84 Ca -0.00 -0.22 -0.02 0.00 0.82 0.00 0.00 66.70 67.29 1nue h VAL 84 Cb 0.22 0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.08 1nue h VAL 84 CO 0.02 0.01 0.20 0.50 0.02 0.00 0.00 177.57 178.31 1nue h LYS 85 N -1.22 0.61 -0.57 1.57 1.63 -1.87 -2.34 116.57 114.38 1nue h LYS 85 Ca -0.10 -0.09 -0.09 0.00 -0.85 0.00 0.00 60.65 59.51 1nue h LYS 85 Cb 0.80 -0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 32.30 1nue h LYS 85 CO 0.17 0.54 -0.01 1.15 -3.45 0.00 0.00 179.45 177.84 1nue h THR 86 N 0.54 1.26 -0.70 1.00 2.02 -1.28 -2.07 112.91 113.68 1nue h THR 86 Ca 0.14 -1.14 0.01 0.00 0.77 0.00 0.00 66.41 66.19 1nue h THR 86 Cb 0.13 0.83 -0.03 0.00 -1.74 0.00 0.00 68.15 67.34 1nue h THR 86 CO -0.02 0.41 0.46 1.23 0.37 0.00 0.00 175.52 177.98 1nue h GLY 87 N 0.99 0.98 1.03 2.16 0.00 -0.31 -1.00 103.07 106.92 1nue h GLY 87 Ca 0.16 -0.36 -0.09 0.00 0.00 0.00 0.00 47.33 47.04 1nue h GLY 87 CO 0.03 0.36 -0.02 3.21 0.00 0.00 0.00 176.54 180.11 1nue h ARG 88 N 0.94 0.93 -0.71 4.80 2.47 -0.96 -2.17 114.38 119.67 1nue h ARG 88 Ca 0.26 -0.31 -0.06 0.00 -1.26 0.00 0.00 59.98 58.61 1nue h ARG 88 Cb -0.11 -0.08 -0.03 0.00 -1.65 0.00 0.00 29.97 28.11 1nue h ARG 88 CO -0.06 0.96 0.20 0.28 0.56 0.00 0.00 179.97 181.92 1nue h VAL 89 N 0.79 1.26 -0.62 2.04 2.07 -0.71 -2.62 116.25 118.46 1nue h VAL 89 Ca 0.14 -0.92 -0.05 0.00 0.82 0.00 0.00 66.70 66.69 1nue h VAL 89 Cb 0.56 0.49 -0.03 0.00 -1.52 0.00 0.00 31.29 30.79 1nue h VAL 89 CO 0.03 0.36 0.17 0.24 0.02 0.00 0.00 177.57 178.39 1nue h MET 90 N 1.06 0.96 -0.43 1.57 2.86 -1.00 -2.99 114.93 116.97 1nue h MET 90 Ca 0.23 -0.20 -0.09 0.00 -2.06 0.00 0.00 59.70 57.58 1nue h MET 90 Cb 0.33 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.83 1nue h MET 90 CO -0.00 0.84 -0.10 -0.07 1.06 0.00 0.00 176.91 178.64 1nue h LEU 91 N 0.93 0.83 0.00 1.22 3.38 -1.22 0.14 115.31 120.58 1nue h LEU 91 Ca 0.20 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1nue h LEU 91 Cb 0.30 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1nue h LEU 91 CO -0.00 0.99 0.00 0.61 0.09 0.00 0.00 178.44 180.13 1nue n GLY 92 N -0.21 -1.11 3.91 0.83 0.00 -1.00 -1.43 105.19 106.17 1nue n GLY 92 Ca -0.01 -2.11 -0.28 0.00 0.00 0.00 0.00 46.02 43.62 1nue n GLY 92 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1nue s GLU 93 N 0.00 2.79 0.19 1.61 0.41 -1.26 -4.79 118.70 117.64 1nue s GLU 93 Ca 0.00 0.10 -0.13 0.00 -0.41 0.00 0.00 54.97 54.53 1nue s GLU 93 Cb 0.00 -2.18 0.12 0.00 -1.78 0.00 0.00 34.13 30.29 1nue s GLU 93 CO 0.00 -0.88 1.83 1.15 -0.49 0.00 0.00 175.26 176.87 1nue h THR 94 N -0.38 1.09 -3.54 3.63 2.02 -1.96 -3.36 112.91 110.42 1nue h THR 94 Ca -0.45 -0.25 -0.61 0.00 0.77 0.00 0.00 66.41 65.87 1nue h THR 94 Cb 1.26 0.30 -0.12 0.00 -1.74 0.00 0.00 68.15 67.86 1nue h THR 94 CO 0.62 0.13 0.05 0.21 0.37 0.00 0.00 175.52 176.90 1nue s ASN 95 N -5.67 6.50 0.56 4.18 3.84 -1.26 -4.73 114.94 118.36 1nue s ASN 95 Ca -0.13 0.60 0.26 0.00 0.21 0.00 0.00 52.86 53.81 1nue s ASN 95 Cb 0.13 -2.30 1.51 0.00 -0.55 0.00 0.00 41.25 40.04 1nue s ASN 95 CO 0.75 -0.31 2.05 -0.65 -2.79 0.00 0.00 177.10 176.15 1nue h PRO 96 N 7.92 0.00 -0.19 0.43 0.11 -1.78 0.24 132.00 138.74 1nue h PRO 96 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1nue h PRO 96 Cb 1.14 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 1nue h PRO 96 CO 0.74 0.00 0.12 0.00 -0.21 0.00 0.00 178.00 178.65 1nue h ALA 97 N 1.75 1.86 -0.02 -0.75 0.00 -1.87 -1.45 119.26 118.78 1nue h ALA 97 Ca 0.15 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1nue h ALA 97 Cb 0.68 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1nue h ALA 97 CO -0.00 0.13 -0.14 -0.25 0.00 0.00 0.00 179.25 178.99 1nue n ASP 98 N -4.51 1.76 -4.78 0.00 8.00 0.07 -4.93 116.55 112.17 1nue n ASP 98 Ca -0.00 -1.45 -0.39 0.00 0.71 0.00 0.00 54.79 53.66 1nue n ASP 98 Cb 0.08 0.10 -0.06 0.00 -0.02 0.00 0.00 41.12 41.23 1nue n ASP 98 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1nue s SER 99 N -2.20 7.20 0.37 -2.24 0.01 -0.55 -4.64 113.70 111.65 1nue s SER 99 Ca 0.30 1.42 -0.16 0.00 1.31 0.00 0.00 55.95 58.81 1nue s SER 99 Cb 0.20 -2.43 -0.09 0.00 0.21 0.00 0.00 66.02 63.90 1nue s SER 99 CO 0.41 0.17 0.81 -0.54 0.41 0.00 0.00 173.24 174.50 1nue s LYS 100 N -0.77 4.05 0.45 12.44 -0.14 -1.26 -4.50 119.74 130.00 1nue s LYS 100 Ca 0.34 0.79 -0.25 0.00 -1.36 0.00 0.00 55.97 55.49 1nue s LYS 100 Cb -0.21 -2.34 -0.08 0.00 -1.68 0.00 0.00 37.83 33.51 1nue s LYS 100 CO 0.22 0.07 1.39 -2.30 -0.76 0.00 0.00 175.35 173.97 1nue n PRO 101 N -0.57 2.13 0.00 -1.68 -0.02 -1.26 -2.12 135.00 131.48 1nue n PRO 101 Ca 0.05 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.28 1nue n PRO 101 Cb 0.53 -2.56 0.00 0.00 -0.02 0.00 0.00 33.50 31.45 1nue n PRO 101 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nue n GLY 102 N 0.65 1.84 3.91 -1.23 0.00 -1.26 -4.97 105.19 104.14 1nue n GLY 102 Ca 0.06 -0.13 -0.27 0.00 0.00 0.00 0.00 46.02 45.68 1nue n GLY 102 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1nue s THR 103 N -1.76 3.98 0.09 2.61 -4.23 -0.90 -4.91 115.64 110.51 1nue s THR 103 Ca 0.00 0.07 -0.22 0.00 -1.18 0.00 0.00 61.69 60.37 1nue s THR 103 Cb 0.00 -3.56 -0.12 0.00 1.34 0.00 0.00 72.50 70.16 1nue s THR 103 CO 0.00 -0.58 1.67 0.40 -0.54 0.00 0.00 174.62 175.57 1nue h ILE 104 N -0.08 1.10 -0.07 2.99 2.04 -0.99 -0.63 117.51 121.85 1nue h ILE 104 Ca -0.46 -0.28 -0.17 0.00 1.00 0.00 0.00 64.86 64.95 1nue h ILE 104 Cb 1.24 1.11 -0.01 0.00 -0.74 0.00 0.00 36.82 38.42 1nue h ILE 104 CO 0.61 0.09 -0.70 0.03 0.00 0.00 0.00 178.15 178.18 1nue h ARG 105 N 0.05 0.35 -0.26 2.37 3.08 -1.50 -1.40 114.38 117.06 1nue h ARG 105 Ca 0.03 -0.28 -0.06 0.00 0.07 0.00 0.00 59.98 59.75 1nue h ARG 105 Cb 0.09 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.18 1nue h ARG 105 CO -0.00 0.91 -0.08 0.78 -1.07 0.00 0.00 179.97 180.51 1nue h GLY 106 N 1.37 0.45 1.25 0.04 0.00 -1.68 -2.72 103.07 101.79 1nue h GLY 106 Ca -0.02 -0.28 -0.29 0.00 0.00 0.00 0.00 47.33 46.74 1nue h GLY 106 CO 0.12 0.26 -1.52 -0.55 0.00 0.00 0.00 176.54 174.85 1nue h ASP 107 N 0.40 0.19 -0.00 0.19 3.32 -1.00 -3.43 116.42 116.09 1nue h ASP 107 Ca 0.08 -0.30 0.00 0.00 0.02 0.00 0.00 57.03 56.83 1nue h ASP 107 Cb 0.39 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.88 1nue h ASP 107 CO 0.02 1.25 -0.08 0.49 -1.72 0.00 0.00 179.24 179.20 1nue n PHE 108 N -3.31 0.00 -4.04 4.55 3.72 -0.54 -5.07 117.46 112.77 1nue n PHE 108 Ca -0.15 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.15 1nue n PHE 108 Cb 1.03 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 39.51 1nue n PHE 108 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1nue n ILE 110 N -0.40 0.19 -4.54 0.00 5.41 -1.26 -4.76 119.36 114.00 1nue n ILE 110 Ca -0.01 -0.06 -0.32 0.00 1.00 0.00 0.00 62.75 63.36 1nue n ILE 110 Cb 0.62 -1.00 -0.11 0.00 -0.71 0.00 0.00 39.64 38.45 1nue n ILE 110 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 176.55 174.97 1nue s GLN 111 N -2.06 2.53 0.50 0.38 0.74 -1.26 -3.98 119.66 116.51 1nue s GLN 111 Ca -0.05 -0.72 0.19 0.00 0.05 0.00 0.00 55.36 54.84 1nue s GLN 111 Cb 0.01 -2.48 1.24 0.00 1.10 0.00 0.00 33.01 32.88 1nue s GLN 111 CO 0.07 0.61 2.04 -0.24 -0.55 0.00 0.00 175.29 177.22 1nue h VAL 112 N 3.90 0.87 0.00 1.34 3.04 -1.95 -1.20 116.25 122.26 1nue h VAL 112 Ca -0.48 -0.05 0.00 0.00 -1.01 0.00 0.00 66.70 65.16 1nue h VAL 112 Cb 1.17 0.73 0.00 0.00 -2.01 0.00 0.00 31.29 31.17 1nue h VAL 112 CO 0.53 0.02 0.00 0.61 -1.01 0.00 0.00 177.57 177.72 1nue n GLY 113 N -1.57 -1.25 2.23 3.17 0.00 -1.26 -3.74 105.19 102.77 1nue n GLY 113 Ca 0.06 -0.11 -0.22 0.00 0.00 0.00 0.00 46.02 45.75 1nue n GLY 113 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nue n ARG 114 N -1.38 0.77 -1.26 1.61 5.12 -0.46 -4.99 116.66 116.07 1nue n ARG 114 Ca 0.09 -3.15 -0.23 0.00 -1.93 0.00 0.00 57.85 52.64 1nue n ARG 114 Cb 0.25 -1.33 0.13 0.00 -1.16 0.00 0.00 32.46 30.36 1nue n ARG 114 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 1nue n ASN 115 N 1.17 4.80 0.00 0.55 6.94 -1.18 -4.36 115.26 123.18 1nue n ASN 115 Ca 0.21 -3.73 0.00 0.00 -0.02 0.00 0.00 54.58 51.04 1nue n ASN 115 Cb 0.57 -0.77 0.00 0.00 -2.36 0.00 0.00 39.78 37.21 1nue n ASN 115 CO 0.00 0.00 0.00 2.30 -1.03 0.00 0.00 177.26 178.53 1nue n ILE 116 N -1.02 0.00 -3.77 1.53 -5.35 -1.26 -4.81 119.36 104.68 1nue n ILE 116 Ca 0.52 0.00 -0.11 0.00 -0.27 0.00 0.00 62.75 62.90 1nue n ILE 116 Cb 1.12 0.00 -0.07 0.00 -1.74 0.00 0.00 39.64 38.95 1nue n ILE 116 CO 0.00 0.00 0.00 -0.51 -1.76 0.00 0.00 176.55 174.28 1nue s ILE 117 N 0.00 0.10 0.03 7.28 2.07 -1.26 -0.28 121.20 129.14 1nue s ILE 117 Ca 0.00 -0.78 0.07 0.00 -1.41 0.00 0.00 60.65 58.52 1nue s ILE 117 Cb 0.00 -1.02 -0.02 0.00 0.13 0.00 0.00 42.46 41.54 1nue s ILE 117 CO 0.00 -0.43 -0.19 -2.28 -1.91 0.00 0.00 174.94 170.13 1nue s HIS 118 N -2.90 1.68 -0.08 3.50 5.65 0.11 -4.86 115.29 118.38 1nue s HIS 118 Ca -0.03 -0.36 -0.06 0.00 0.25 0.00 0.00 55.06 54.87 1nue s HIS 118 Cb 0.00 -1.02 0.03 0.00 -1.18 0.00 0.00 32.58 30.41 1nue s HIS 118 CO -0.06 0.06 0.21 0.20 -0.65 0.00 0.00 174.74 174.50 1nue s GLY 119 N -1.01 -0.14 0.38 1.59 0.00 -1.26 -1.04 107.32 105.84 1nue s GLY 119 Ca 0.06 0.69 -0.26 0.00 0.00 0.00 0.00 44.72 45.21 1nue s GLY 119 CO 0.01 0.72 1.22 1.44 0.00 0.00 0.00 173.10 176.49 1nue n SER 120 N 3.38 2.36 -0.15 1.64 7.64 -0.88 -4.94 113.62 122.67 1nue n SER 120 Ca -0.17 1.14 0.11 0.00 1.01 0.00 0.00 58.87 60.97 1nue n SER 120 Cb 0.57 -1.46 0.12 0.00 -1.01 0.00 0.00 64.21 62.43 1nue n SER 120 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1nue n ASP 121 N 0.53 1.06 -3.67 6.43 5.68 -1.26 -4.79 116.55 120.53 1nue n ASP 121 Ca 0.06 -0.86 -0.09 0.00 -0.50 0.00 0.00 54.79 53.41 1nue n ASP 121 Cb 0.38 0.49 -0.02 0.00 -1.14 0.00 0.00 41.12 40.83 1nue n ASP 121 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1nue s SER 122 N -2.79 -0.39 0.28 -1.12 1.04 -1.26 -4.91 113.70 104.54 1nue s SER 122 Ca 0.14 -0.35 -0.03 0.00 0.48 0.00 0.00 55.95 56.20 1nue s SER 122 Cb 0.18 0.66 0.38 0.00 0.10 0.00 0.00 66.02 67.34 1nue s SER 122 CO 0.69 -1.17 1.93 0.58 0.98 0.00 0.00 173.24 176.25 1nue h VAL 123 N 2.02 1.19 -0.38 5.02 2.07 -1.93 0.82 116.25 125.06 1nue h VAL 123 Ca -0.26 -0.42 -0.01 0.00 0.82 0.00 0.00 66.70 66.83 1nue h VAL 123 Cb 1.28 -0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 1nue h VAL 123 CO 0.30 0.22 0.19 0.50 0.02 0.00 0.00 177.57 178.81 1nue h LYS 124 N 1.21 0.54 -0.63 1.57 3.64 -1.98 -1.23 116.57 119.69 1nue h LYS 124 Ca 0.36 -0.07 -0.06 0.00 -1.27 0.00 0.00 60.65 59.60 1nue h LYS 124 Cb -0.05 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 31.64 1nue h LYS 124 CO -0.10 0.47 0.14 0.77 -2.27 0.00 0.00 179.45 178.46 1nue h SER 125 N 0.48 0.97 -0.59 4.20 0.02 -1.81 -2.38 113.55 114.43 1nue h SER 125 Ca 0.13 -0.24 0.02 0.00 -0.84 0.00 0.00 61.79 60.86 1nue h SER 125 Cb 0.09 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.35 1nue h SER 125 CO -0.02 0.96 0.37 0.00 -1.14 0.00 0.00 176.83 177.00 1nue h ALA 126 N 1.05 0.76 -0.37 3.77 0.00 -0.26 0.19 119.26 124.39 1nue h ALA 126 Ca 0.20 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 1nue h ALA 126 Cb 0.37 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1nue h ALA 126 CO 0.00 0.13 -0.04 0.93 0.00 0.00 0.00 179.25 180.28 1nue h GLU 127 N 0.75 0.60 -0.15 0.00 4.39 -1.09 0.14 114.58 119.22 1nue h GLU 127 Ca 0.23 -0.15 -0.15 0.00 0.34 0.00 0.00 59.36 59.62 1nue h GLU 127 Cb -0.03 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.55 1nue h GLU 127 CO -0.08 0.65 -0.50 -0.22 -1.16 0.00 0.00 179.01 177.70 1nue h LYS 128 N 0.56 0.60 -0.26 2.33 3.64 -0.82 -2.74 116.57 119.89 1nue h LYS 128 Ca 0.11 -0.45 -0.14 0.00 -1.27 0.00 0.00 60.65 58.90 1nue h LYS 128 Cb 0.42 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.31 1nue h LYS 128 CO 0.02 1.07 -0.42 0.93 -2.27 0.00 0.00 179.45 178.78 1nue h GLU 129 N 0.25 0.64 -0.53 1.90 5.08 -0.30 -1.30 114.58 120.33 1nue h GLU 129 Ca -0.02 -0.34 -0.00 0.00 -1.00 0.00 0.00 59.36 58.00 1nue h GLU 129 Cb 1.13 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.36 1nue h GLU 129 CO 0.11 0.94 0.32 0.82 -1.00 0.00 0.00 179.01 180.20 1nue h ILE 130 N 0.52 1.16 -0.25 3.13 2.04 -0.77 -1.46 117.51 121.88 1nue h ILE 130 Ca 0.04 -0.36 -0.08 0.00 1.00 0.00 0.00 64.86 65.46 1nue h ILE 130 Cb 0.95 0.45 -0.01 0.00 -0.74 0.00 0.00 36.82 37.46 1nue h ILE 130 CO 0.09 0.17 -0.19 0.28 0.00 0.00 0.00 178.15 178.49 1nue h SER 131 N 0.71 0.44 -0.29 1.72 0.02 -1.33 -0.92 113.55 113.89 1nue h SER 131 Ca 0.19 -0.13 -0.11 0.00 -0.84 0.00 0.00 61.79 60.90 1nue h SER 131 Cb -0.01 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.41 1nue h SER 131 CO -0.04 0.64 -0.25 0.25 -1.14 0.00 0.00 176.83 176.30 1nue h LEU 132 N 0.41 0.73 0.00 5.07 5.85 -0.74 -3.37 115.31 123.26 1nue h LEU 132 Ca 0.07 -0.46 -0.18 0.00 0.84 0.00 0.00 57.88 58.15 1nue h LEU 132 Cb 0.56 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.36 1nue h LEU 132 CO 0.04 1.03 -1.45 0.79 -0.34 0.00 0.00 178.44 178.51 1nue n TRP 133 N -4.29 0.98 -4.30 1.25 7.02 -0.60 -4.97 117.44 112.53 1nue n TRP 133 Ca -0.04 0.33 -0.22 0.00 -1.02 0.00 0.00 57.50 56.55 1nue n TRP 133 Cb 0.45 -1.10 -0.12 0.00 -2.42 0.00 0.00 31.31 28.12 1nue n TRP 133 CO 0.00 0.00 0.00 -0.06 -2.02 0.00 0.00 177.69 175.61 1nue s PHE 134 N -2.89 1.73 0.28 -5.99 0.08 -0.36 -5.10 117.98 105.73 1nue s PHE 134 Ca -0.03 -0.46 -0.11 0.00 0.12 0.00 0.00 56.93 56.45 1nue s PHE 134 Cb 0.09 -0.91 -0.07 0.00 -0.57 0.00 0.00 43.02 41.56 1nue s PHE 134 CO 0.81 0.25 0.63 0.15 -0.10 0.00 0.00 175.22 176.96 1nue s LYS 135 N -2.38 3.84 0.36 0.44 1.02 -1.26 -4.59 119.74 117.16 1nue s LYS 135 Ca 0.10 0.38 0.10 0.00 0.02 0.00 0.00 55.97 56.58 1nue s LYS 135 Cb -0.08 -2.55 0.87 0.00 -0.52 0.00 0.00 37.83 35.55 1nue s LYS 135 CO 0.05 0.22 1.84 -1.35 -0.92 0.00 0.00 175.35 175.18 1nue h PRO 136 N 2.21 0.62 0.00 -1.68 0.11 -1.96 0.56 132.00 131.86 1nue h PRO 136 Ca -0.47 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1nue h PRO 136 Cb 1.17 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1nue h PRO 136 CO 0.67 0.41 0.00 -0.85 -0.21 0.00 0.00 178.00 178.02 1nue n GLU 137 N -4.60 0.03 0.00 1.05 0.00 -1.26 -2.72 120.64 113.13 1nue n GLU 137 Ca 0.20 0.25 0.13 0.00 0.00 0.00 0.00 57.16 57.73 1nue n GLU 137 Cb 0.57 -1.55 0.37 0.00 0.00 0.00 0.00 31.44 30.82 1nue n GLU 137 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1nue n GLU 138 N -1.61 0.04 -3.08 3.44 1.02 0.19 -4.72 120.64 115.91 1nue n GLU 138 Ca 0.04 -0.02 -0.42 0.00 -0.02 0.00 0.00 57.16 56.74 1nue n GLU 138 Cb 0.20 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.05 1nue n GLU 138 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1nue s LEU 139 N -2.98 4.28 0.12 -4.62 1.43 -1.10 -4.57 118.68 111.25 1nue s LEU 139 Ca 0.13 0.07 -0.27 0.00 -1.03 0.00 0.00 54.13 53.02 1nue s LEU 139 Cb 0.18 -2.81 -0.07 0.00 0.03 0.00 0.00 46.19 43.52 1nue s LEU 139 CO 0.64 -0.66 0.85 -0.69 0.23 0.00 0.00 176.35 176.72 1nue s VAL 140 N 2.81 4.47 -0.26 -1.59 1.01 -0.02 -5.02 120.40 121.80 1nue s VAL 140 Ca 0.25 1.85 -0.10 0.00 0.00 0.00 0.00 61.98 63.98 1nue s VAL 140 Cb -0.14 -4.21 -0.05 0.00 0.00 0.00 0.00 36.38 31.98 1nue s VAL 140 CO 0.16 0.41 0.16 -1.81 0.00 0.00 0.00 175.10 174.03 1nue s ASP 141 N -0.49 5.91 -0.05 3.32 1.01 -1.26 -4.81 116.67 120.30 1nue s ASP 141 Ca 0.41 -0.00 -0.31 0.00 0.71 0.00 0.00 52.55 53.35 1nue s ASP 141 Cb -0.23 -2.09 0.11 0.00 1.01 0.00 0.00 42.92 41.73 1nue s ASP 141 CO 0.27 -0.01 1.11 -0.72 0.21 0.00 0.00 175.17 176.03 1nue s TYR 142 N 1.52 -0.16 -0.06 4.23 1.13 -1.26 -5.17 117.35 117.58 1nue s TYR 142 Ca 0.07 0.04 0.04 0.00 -1.41 0.00 0.00 57.07 55.81 1nue s TYR 142 Cb -0.15 0.55 -0.02 0.00 -1.10 0.00 0.00 41.96 41.23 1nue s TYR 142 CO 0.08 -0.39 -0.16 0.21 -2.51 0.00 0.00 175.55 172.77 1nue s LYS 143 N -2.72 2.58 0.31 -3.49 2.20 -1.26 -5.11 119.74 112.25 1nue s LYS 143 Ca 0.10 -0.74 -0.28 0.00 -0.36 0.00 0.00 55.97 54.69 1nue s LYS 143 Cb 0.00 -2.36 -0.10 0.00 -1.51 0.00 0.00 37.83 33.87 1nue s LYS 143 CO -0.05 0.55 1.15 -1.12 -0.36 0.00 0.00 175.35 175.52 1nue s SER 144 N -0.54 7.03 0.54 1.43 0.01 -1.26 -4.94 113.70 115.97 1nue s SER 144 Ca 0.07 2.36 0.32 0.00 1.31 0.00 0.00 55.95 60.02 1nue s SER 144 Cb -0.11 -2.63 1.37 0.00 0.21 0.00 0.00 66.02 64.86 1nue s SER 144 CO 0.01 -0.32 1.99 0.00 0.41 0.00 0.00 173.24 175.33 1nue n ALA 146 N -2.13 2.52 -0.33 0.00 0.00 -1.26 -4.53 120.51 114.79 1nue n ALA 146 Ca 0.00 -0.56 0.11 0.00 0.00 0.00 0.00 53.44 52.99 1nue n ALA 146 Cb 0.31 -1.02 0.23 0.00 0.00 0.00 0.00 19.45 18.96 1nue n ALA 146 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1nue h HIS 147 N 3.30 -0.17 0.00 0.00 6.17 -1.86 0.88 115.15 123.47 1nue h HIS 147 Ca 0.00 0.07 0.00 0.00 0.71 0.00 0.00 60.37 61.15 1nue h HIS 147 Cb 0.70 0.23 0.00 0.00 2.52 0.00 0.00 27.41 30.86 1nue h HIS 147 CO 0.01 -0.40 0.00 -0.25 0.71 0.00 0.00 177.93 178.00 1nue n ASP 148 N -5.50 0.00 0.02 3.26 8.00 -1.26 -1.34 116.55 119.72 1nue n ASP 148 Ca 0.20 0.47 0.11 0.00 0.71 0.00 0.00 54.79 56.28 1nue n ASP 148 Cb 0.64 -0.49 -0.01 0.00 -0.02 0.00 0.00 41.12 41.24 1nue n ASP 148 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 1nue n TRP 149 N -1.49 0.19 -0.09 1.24 7.02 0.30 -4.30 117.44 120.31 1nue n TRP 149 Ca 0.05 0.06 -0.11 0.00 -1.02 0.00 0.00 57.50 56.48 1nue n TRP 149 Cb 0.25 -0.37 -0.15 0.00 -2.42 0.00 0.00 31.31 28.62 1nue n TRP 149 CO 0.00 0.00 0.00 0.28 -2.02 0.00 0.00 177.69 175.95 1nue n VAL 150 N -1.91 1.44 -4.58 -0.99 0.31 -0.74 -4.99 118.33 106.88 1nue n VAL 150 Ca 0.02 -0.82 -0.26 0.00 -0.01 0.00 0.00 64.34 63.27 1nue n VAL 150 Cb 0.43 -0.66 -0.14 0.00 -0.91 0.00 0.00 33.84 32.56 1nue n VAL 150 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 1nue s TYR 151 N -2.51 1.89 -2.00 3.52 2.02 -0.45 -5.11 117.35 114.72 1nue s TYR 151 Ca -0.12 -0.39 0.15 0.00 -0.37 0.00 0.00 57.07 56.34 1nue s TYR 151 Cb 0.07 -1.10 0.88 0.00 -0.40 0.00 0.00 41.96 41.40 1nue s TYR 151 CO 0.80 0.14 1.30 0.39 -1.57 0.00 0.00 175.55 176.61