#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 6.66 0.37 0.00 3.84 -1.26 -5.03 114.94 119.51 1nue s ASN 3 Ca 0.00 -2.43 -0.27 0.00 0.21 0.00 0.00 52.86 50.37 1nue s ASN 3 Cb 0.00 -2.25 -0.09 0.00 -0.55 0.00 0.00 41.25 38.36 1nue s ASN 3 CO 0.00 -0.71 1.28 -0.76 -2.79 0.00 0.00 177.10 174.12 1nue s LEU 4 N 0.86 4.32 0.64 3.21 1.43 -1.26 -4.99 118.68 122.90 1nue s LEU 4 Ca 0.19 2.63 -0.18 0.00 -1.03 0.00 0.00 54.13 55.74 1nue s LEU 4 Cb -0.12 -3.79 -0.03 0.00 0.03 0.00 0.00 46.19 42.29 1nue s LEU 4 CO -0.07 -0.67 1.04 1.21 0.23 0.00 0.00 176.35 178.10 1nue n GLU 5 N 0.46 0.84 -4.21 1.70 2.13 -1.25 -4.69 120.64 115.62 1nue n GLU 5 Ca 0.02 0.34 -0.16 0.00 0.66 0.00 0.00 57.16 58.02 1nue n GLU 5 Cb 0.43 -2.27 -0.11 0.00 0.27 0.00 0.00 31.44 29.76 1nue n GLU 5 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1nue s ARG 6 N -3.06 0.93 0.06 5.31 1.81 -1.26 -1.26 118.95 121.49 1nue s ARG 6 Ca 0.78 -1.21 0.02 0.00 -1.72 0.00 0.00 55.73 53.59 1nue s ARG 6 Cb -0.39 -0.69 -0.03 0.00 -0.45 0.00 0.00 34.95 33.39 1nue s ARG 6 CO 0.46 0.12 -0.06 -0.08 -0.68 0.00 0.00 175.30 175.05 1nue s THR 7 N -2.37 0.52 -0.21 0.02 -1.32 -0.46 -4.71 115.64 107.12 1nue s THR 7 Ca 0.08 -1.40 -0.12 0.00 -1.21 0.00 0.00 61.69 59.03 1nue s THR 7 Cb -0.03 -1.00 -0.05 0.00 -1.51 0.00 0.00 72.50 69.91 1nue s THR 7 CO 0.01 -0.61 0.22 0.12 -2.21 0.00 0.00 174.62 172.15 1nue s PHE 8 N -2.34 3.37 -0.06 9.09 5.36 -1.26 -1.93 117.98 130.21 1nue s PHE 8 Ca -0.02 0.38 0.04 0.00 -0.96 0.00 0.00 56.93 56.37 1nue s PHE 8 Cb -0.03 -2.30 -0.00 0.00 -0.34 0.00 0.00 43.02 40.35 1nue s PHE 8 CO -0.02 0.14 -0.19 0.42 -1.46 0.00 0.00 175.22 174.10 1nue s ILE 9 N 0.83 1.60 -0.03 3.12 -1.09 -0.16 -1.97 121.20 123.49 1nue s ILE 9 Ca 0.11 -0.80 0.03 0.00 -2.23 0.00 0.00 60.65 57.77 1nue s ILE 9 Cb -0.13 -1.38 -0.00 0.00 -1.58 0.00 0.00 42.46 39.37 1nue s ILE 9 CO 0.03 0.46 -0.13 0.00 -1.23 0.00 0.00 174.94 174.07 1nue s ALA 10 N 0.12 1.22 -0.28 9.38 0.00 -0.10 -0.74 121.76 131.35 1nue s ALA 10 Ca -0.07 -0.53 -0.18 0.00 0.00 0.00 0.00 51.96 51.18 1nue s ALA 10 Cb -0.13 -0.42 -0.02 0.00 0.00 0.00 0.00 23.12 22.55 1nue s ALA 10 CO 0.04 0.22 0.53 0.42 0.00 0.00 0.00 175.76 176.96 1nue s ILE 11 N 0.09 5.05 0.99 0.00 1.01 -0.39 0.05 121.20 128.00 1nue s ILE 11 Ca -0.03 0.81 -0.12 0.00 0.00 0.00 0.00 60.65 61.31 1nue s ILE 11 Cb -0.10 -3.86 0.18 0.00 0.01 0.00 0.00 42.46 38.69 1nue s ILE 11 CO 0.01 0.02 1.09 -0.54 0.00 0.00 0.00 174.94 175.52 1nue s LYS 12 N 2.35 0.51 0.33 2.79 1.02 0.37 -2.20 119.74 124.92 1nue s LYS 12 Ca 0.21 0.68 0.08 0.00 0.02 0.00 0.00 55.97 56.96 1nue s LYS 12 Cb -0.16 -1.73 0.78 0.00 -0.52 0.00 0.00 37.83 36.21 1nue s LYS 12 CO 0.10 -2.72 1.82 -1.35 -0.92 0.00 0.00 175.35 172.29 1nue h PRO 13 N -1.89 0.71 -0.06 -1.68 0.11 -1.86 -0.94 132.00 126.39 1nue h PRO 13 Ca -0.54 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 65.48 1nue h PRO 13 Cb 1.31 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 1nue h PRO 13 CO 0.55 0.47 -0.21 0.38 -0.21 0.00 0.00 178.00 178.98 1nue h ASP 14 N 0.73 0.09 -0.42 -2.05 2.03 -1.89 -0.65 116.42 114.26 1nue h ASP 14 Ca 0.51 -0.02 -0.14 0.00 -0.73 0.00 0.00 57.03 56.65 1nue h ASP 14 Cb 0.83 -0.02 -0.01 0.00 -0.83 0.00 0.00 39.33 39.29 1nue h ASP 14 CO -0.28 0.31 -0.31 1.23 -1.03 0.00 0.00 179.24 179.17 1nue h GLY 15 N 0.76 1.02 0.68 7.15 0.00 -1.36 -0.64 103.07 110.69 1nue h GLY 15 Ca 0.02 -0.99 -0.02 0.00 0.00 0.00 0.00 47.33 46.34 1nue h GLY 15 CO 0.03 0.89 -0.02 -2.08 0.00 0.00 0.00 176.54 175.36 1nue h VAL 16 N 0.77 1.30 -0.64 4.60 2.07 -1.36 -1.25 116.25 121.74 1nue h VAL 16 Ca 0.08 -0.95 0.02 0.00 0.82 0.00 0.00 66.70 66.66 1nue h VAL 16 Cb 0.89 1.80 -0.03 0.00 -1.52 0.00 0.00 31.29 32.43 1nue h VAL 16 CO 0.08 0.26 0.42 1.56 0.02 0.00 0.00 177.57 179.92 1nue h GLN 17 N -0.21 0.80 -0.16 1.57 1.08 -1.04 -1.65 115.11 115.48 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 0.43 -0.18 0.00 0.00 -0.05 0.00 0.00 27.48 27.68 1nue h GLN 17 CO 0.01 0.53 0.00 0.54 -0.95 0.00 0.00 178.83 178.95 1nue n ARG 18 N -4.45 1.60 -3.15 1.46 1.74 -0.25 -4.94 116.66 108.67 1nue n ARG 18 Ca 0.07 -0.91 -0.14 0.00 -0.77 0.00 0.00 57.85 56.09 1nue n ARG 18 Cb 0.08 -1.35 0.05 0.00 -1.02 0.00 0.00 32.46 30.23 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 1.04 0.00 0.73 -0.13 0.00 -0.62 -4.96 105.19 101.25 1nue n GLY 19 Ca 0.15 -0.09 0.06 0.00 0.00 0.00 0.00 46.02 46.13 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 -3.28 3.15 0.08 0.99 4.77 -0.49 -4.74 117.00 117.48 1nue n LEU 20 Ca -0.02 -2.15 -0.13 0.00 -0.03 0.00 0.00 56.01 53.68 1nue n LEU 20 Cb 0.55 -0.29 -0.08 0.00 -2.33 0.00 0.00 43.42 41.27 1nue n LEU 20 CO 0.40 0.74 0.79 0.58 -1.33 0.00 0.00 177.39 178.57 1nue h VAL 21 N 2.14 0.96 -0.54 4.08 2.07 -1.89 -1.70 116.25 121.37 1nue h VAL 21 Ca 0.00 -0.22 -0.06 0.00 0.82 0.00 0.00 66.70 67.24 1nue h VAL 21 Cb 0.86 1.10 -0.02 0.00 -1.52 0.00 0.00 31.29 31.70 1nue h VAL 21 CO 0.04 0.05 0.09 1.23 0.02 0.00 0.00 177.57 179.00 1nue h GLY 22 N -0.24 0.95 0.79 2.17 0.00 -1.97 -1.87 103.07 102.91 1nue h GLY 22 Ca -0.01 -0.63 0.04 0.00 0.00 0.00 0.00 47.33 46.72 1nue h GLY 22 CO 0.02 0.58 0.35 -2.09 0.00 0.00 0.00 176.54 175.40 1nue h GLU 23 N 0.77 0.65 -0.28 4.80 4.57 -1.85 -0.95 114.58 122.30 1nue h GLU 23 Ca 0.16 -0.04 -0.09 0.00 -1.18 0.00 0.00 59.36 58.22 1nue h GLU 23 Cb 0.40 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 28.84 1nue h GLU 23 CO 0.01 0.43 -0.16 0.82 -1.18 0.00 0.00 179.01 178.93 1nue h ILE 24 N 0.67 1.30 -0.57 2.32 2.04 -1.15 -2.99 117.51 119.14 1nue h ILE 24 Ca 0.25 -1.28 -0.01 0.00 1.00 0.00 0.00 64.86 64.83 1nue h ILE 24 Cb 0.09 1.52 -0.03 0.00 -0.74 0.00 0.00 36.82 37.66 1nue h ILE 24 CO -0.13 0.40 0.32 0.40 0.00 0.00 0.00 178.15 179.14 1nue h ILE 25 N 0.35 1.18 -0.91 -0.67 2.04 -1.18 -2.44 117.51 115.88 1nue h ILE 25 Ca 0.06 -0.44 0.12 0.00 1.00 0.00 0.00 64.86 65.60 1nue h ILE 25 Cb 0.69 0.44 -0.07 0.00 -0.74 0.00 0.00 36.82 37.14 1nue h ILE 25 CO 0.05 0.19 0.58 0.50 0.00 0.00 0.00 178.15 179.47 1nue h LYS 26 N 0.77 0.79 -0.64 2.37 3.64 -1.14 -1.39 116.57 120.97 1nue h LYS 26 Ca 0.20 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.50 1nue h LYS 26 Cb 0.02 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 31.64 1nue h LYS 26 CO -0.03 0.52 0.26 0.00 -2.27 0.00 0.00 179.45 177.93 1nue h ARG 27 N 0.82 0.94 -0.02 1.90 3.08 -1.28 -0.71 114.38 119.09 1nue h ARG 27 Ca 0.44 -0.15 -0.21 0.00 0.07 0.00 0.00 59.98 60.13 1nue h ARG 27 Cb 0.55 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.44 1nue h ARG 27 CO -0.20 0.76 -0.86 0.74 -1.07 0.00 0.00 179.97 179.34 1nue h PHE 28 N 0.92 0.53 -0.15 3.04 0.04 -1.30 -2.94 116.94 117.07 1nue h PHE 28 Ca 0.22 -0.27 -0.02 0.00 2.80 0.00 0.00 57.97 60.69 1nue h PHE 28 Cb 0.18 -0.07 -0.01 0.00 2.20 0.00 0.00 35.95 38.25 1nue h PHE 28 CO 0.01 1.07 0.00 0.93 -0.60 0.00 0.00 178.31 179.72 1nue h GLU 29 N 0.22 0.27 -0.53 1.51 5.08 -1.03 -2.85 114.58 117.25 1nue h GLU 29 Ca -0.06 -0.09 0.06 0.00 -1.00 0.00 0.00 59.36 58.28 1nue h GLU 29 Cb 1.48 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.67 1nue h GLU 29 CO 0.15 0.50 0.36 1.96 -1.00 0.00 0.00 179.01 180.97 1nue h GLN 30 N 0.02 0.46 0.00 2.33 4.20 -1.18 -2.30 115.11 118.64 1nue h GLN 30 Ca 0.04 -0.03 -0.05 0.00 0.06 0.00 0.00 58.65 58.67 1nue h GLN 30 Cb 0.37 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.04 1nue h GLN 30 CO 0.01 0.30 -0.26 -0.22 -0.67 0.00 0.00 178.83 178.00 1nue h LYS 31 N 0.47 0.00 0.00 1.46 1.63 -1.47 -3.47 116.57 115.19 1nue h LYS 31 Ca 0.23 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.03 1nue h LYS 31 Cb 0.32 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.95 1nue h LYS 31 CO -0.06 0.26 0.00 0.41 -3.45 0.00 0.00 179.45 176.60 1nue n GLY 32 N -0.10 0.91 3.82 5.01 0.00 -0.86 -5.11 105.19 108.86 1nue n GLY 32 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 3.24 -0.20 1.61 0.08 -1.08 -5.00 117.98 114.64 1nue s PHE 33 Ca 0.00 1.52 -0.08 0.00 0.12 0.00 0.00 56.93 58.49 1nue s PHE 33 Cb 0.00 -2.90 -0.04 0.00 -0.57 0.00 0.00 43.02 39.51 1nue s PHE 33 CO 0.00 -0.59 0.07 0.50 -0.10 0.00 0.00 175.22 175.11 1nue s ARG 34 N -3.82 3.95 -0.09 0.44 3.52 -0.66 -4.61 118.95 117.67 1nue s ARG 34 Ca 0.62 -0.35 -0.30 0.00 -0.13 0.00 0.00 55.73 55.57 1nue s ARG 34 Cb -0.12 -3.26 -0.03 0.00 -1.56 0.00 0.00 34.95 29.98 1nue s ARG 34 CO 0.28 0.19 1.23 -1.17 -0.81 0.00 0.00 175.30 175.02 1nue s LEU 35 N 0.60 4.24 -0.18 -0.88 2.96 -1.26 -0.21 118.68 123.95 1nue s LEU 35 Ca 0.04 1.77 0.11 0.00 -0.22 0.00 0.00 54.13 55.83 1nue s LEU 35 Cb -0.13 -3.55 -0.19 0.00 0.50 0.00 0.00 46.19 42.82 1nue s LEU 35 CO 0.01 -0.65 -0.02 0.52 -1.32 0.00 0.00 176.35 174.89 1nue n VAL 36 N 4.89 1.19 -3.60 1.68 0.31 0.42 -4.93 118.33 118.28 1nue n VAL 36 Ca 0.12 -0.65 -0.15 0.00 -0.01 0.00 0.00 64.34 63.66 1nue n VAL 36 Cb 0.46 -0.76 -0.06 0.00 -0.91 0.00 0.00 33.84 32.56 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 -2.42 -1.32 -0.28 3.52 0.00 -1.15 -0.62 121.76 119.50 1nue s ALA 37 Ca -0.15 0.69 -0.19 0.00 0.00 0.00 0.00 51.96 52.31 1nue s ALA 37 Cb 0.06 0.25 0.11 0.00 0.00 0.00 0.00 23.12 23.54 1nue s ALA 37 CO 0.64 -0.44 0.87 1.41 0.00 0.00 0.00 175.76 178.24 1nue s MET 38 N -2.01 0.57 0.09 0.00 0.00 -1.26 -1.42 119.30 115.28 1nue s MET 38 Ca -0.08 0.86 -0.14 0.00 0.00 0.00 0.00 55.69 56.33 1nue s MET 38 Cb -0.01 0.18 0.02 0.00 0.00 0.00 0.00 34.83 35.02 1nue s MET 38 CO 0.02 -0.10 0.34 -1.59 0.00 0.00 0.00 175.02 173.69 1nue s LYS 39 N 1.04 0.95 -0.12 4.11 -2.85 -0.37 -5.00 119.74 117.50 1nue s LYS 39 Ca -0.05 -0.67 0.03 0.00 -1.00 0.00 0.00 55.97 54.28 1nue s LYS 39 Cb -0.05 0.41 0.01 0.00 -2.06 0.00 0.00 37.83 36.14 1nue s LYS 39 CO -0.12 -0.34 -0.21 0.12 0.10 0.00 0.00 175.35 174.89 1nue s PHE 40 N -3.38 2.49 0.14 1.78 5.36 -1.26 -0.52 117.98 122.58 1nue s PHE 40 Ca 0.01 -1.15 -0.24 0.00 -0.96 0.00 0.00 56.93 54.58 1nue s PHE 40 Cb 0.02 -1.69 0.07 0.00 -0.34 0.00 0.00 43.02 41.07 1nue s PHE 40 CO -0.09 -0.51 0.75 -0.48 -1.46 0.00 0.00 175.22 173.43 1nue s LEU 41 N 0.65 -0.40 -0.31 6.12 2.34 -0.69 -4.95 118.68 121.43 1nue s LEU 41 Ca -0.12 -0.17 -0.10 0.00 0.06 0.00 0.00 54.13 53.81 1nue s LEU 41 Cb -0.16 2.41 -0.01 0.00 -0.56 0.00 0.00 46.19 47.87 1nue s LEU 41 CO 0.02 -0.93 0.16 -0.60 -1.06 0.00 0.00 176.35 173.94 1nue s ARG 42 N -3.55 3.34 0.29 1.48 3.52 -1.26 0.04 118.95 122.81 1nue s ARG 42 Ca 0.05 -0.72 -0.27 0.00 -0.13 0.00 0.00 55.73 54.66 1nue s ARG 42 Cb -0.02 -3.59 -0.10 0.00 -1.56 0.00 0.00 34.95 29.69 1nue s ARG 42 CO -0.06 -0.42 0.94 0.00 -0.81 0.00 0.00 175.30 174.94 1nue s ALA 43 N 1.62 3.26 0.70 6.12 0.00 -1.26 -5.02 121.76 127.18 1nue s ALA 43 Ca 0.05 0.55 -0.12 0.00 0.00 0.00 0.00 51.96 52.44 1nue s ALA 43 Cb -0.17 -3.18 0.01 0.00 0.00 0.00 0.00 23.12 19.78 1nue s ALA 43 CO 0.07 0.19 1.07 -1.54 0.00 0.00 0.00 175.76 175.55 1nue s SER 44 N -1.46 5.17 0.37 0.00 1.04 -1.26 -4.64 113.70 112.92 1nue s SER 44 Ca 0.47 1.73 0.05 0.00 0.48 0.00 0.00 55.95 58.67 1nue s SER 44 Cb -0.21 -2.51 0.74 0.00 0.10 0.00 0.00 66.02 64.14 1nue s SER 44 CO 0.27 -1.58 2.00 -0.33 0.98 0.00 0.00 173.24 174.57 1nue h GLU 45 N -0.63 0.71 -0.53 4.02 5.08 -1.96 -1.83 114.58 119.45 1nue h GLU 45 Ca -0.44 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 57.81 1nue h GLU 45 Cb 1.22 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 30.29 1nue h GLU 45 CO 0.55 0.47 0.06 1.49 -1.00 0.00 0.00 179.01 180.59 1nue h GLU 46 N 0.73 0.89 -0.60 2.33 4.57 -1.99 -0.75 114.58 119.77 1nue h GLU 46 Ca 0.25 -0.25 0.02 0.00 -1.18 0.00 0.00 59.36 58.20 1nue h GLU 46 Cb 0.08 -0.10 -0.04 0.00 -0.16 0.00 0.00 28.75 28.53 1nue h GLU 46 CO -0.07 0.88 0.37 1.25 -1.18 0.00 0.00 179.01 180.26 1nue h HIS 47 N 0.77 0.69 -0.26 0.92 2.76 -1.75 -2.01 115.15 116.28 1nue h HIS 47 Ca 0.16 0.02 -0.10 0.00 -2.20 0.00 0.00 60.37 58.24 1nue h HIS 47 Cb 0.44 -0.23 -0.01 0.00 1.55 0.00 0.00 27.41 29.16 1nue h HIS 47 CO 0.03 0.40 -0.28 -0.07 -1.30 0.00 0.00 177.93 176.71 1nue h LEU 48 N 0.73 0.52 -0.59 0.26 3.38 -1.08 -1.61 115.31 116.92 1nue h LEU 48 Ca 0.24 -0.19 -0.11 0.00 0.09 0.00 0.00 57.88 57.91 1nue h LEU 48 Cb 0.01 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 1nue h LEU 48 CO -0.09 0.79 -0.12 0.11 0.09 0.00 0.00 178.44 179.21 1nue h LYS 49 N 0.45 0.99 -0.54 1.13 1.57 -0.94 0.09 116.57 119.33 1nue h LYS 49 Ca 0.06 -0.37 -0.07 0.00 -1.87 0.00 0.00 60.65 58.40 1nue h LYS 49 Cb 0.72 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.95 1nue h LYS 49 CO 0.06 1.05 0.05 1.96 -0.57 0.00 0.00 179.45 181.99 1nue h GLN 50 N 0.88 0.93 -0.38 3.15 1.08 -1.09 0.20 115.11 119.89 1nue h GLN 50 Ca 0.14 -0.27 0.00 0.00 -1.45 0.00 0.00 58.65 57.07 1nue h GLN 50 Cb 0.68 -0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 27.99 1nue h GLN 50 CO 0.05 0.92 0.24 1.25 -0.95 0.00 0.00 178.83 180.34 1nue h HIS 51 N 0.81 0.49 -0.87 2.96 2.76 -0.96 -2.85 115.15 117.49 1nue h HIS 51 Ca 0.16 0.00 -0.39 0.00 -2.20 0.00 0.00 60.37 57.95 1nue h HIS 51 Cb 0.47 -0.16 -0.23 0.00 1.55 0.00 0.00 27.41 29.03 1nue h HIS 51 CO 0.03 0.33 0.48 0.66 -1.30 0.00 0.00 177.93 178.13 1nue n TYR 52 N -4.80 2.75 -0.35 5.26 4.01 -0.01 -4.77 117.16 119.26 1nue n TYR 52 Ca 0.00 -1.59 0.17 0.00 -0.16 0.00 0.00 57.90 56.32 1nue n TYR 52 Cb 0.04 -0.83 0.38 0.00 -0.31 0.00 0.00 39.34 38.62 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 1.64 0.56 0.00 -0.72 6.09 -0.35 0.67 117.51 125.41 1nue h ILE 53 Ca 0.48 -0.21 0.00 0.00 -1.37 0.00 0.00 64.86 63.76 1nue h ILE 53 Cb 2.62 -0.09 0.00 0.00 0.47 0.00 0.00 36.82 39.82 1nue h ILE 53 CO 0.94 0.11 0.00 -0.90 -3.07 0.00 0.00 178.15 175.23 1nue n ASP 54 N -4.85 0.00 -0.91 2.19 5.75 -1.26 -1.63 116.55 115.84 1nue n ASP 54 Ca 0.26 0.01 0.08 0.00 -0.01 0.00 0.00 54.79 55.13 1nue n ASP 54 Cb 0.73 -0.29 0.22 0.00 -1.03 0.00 0.00 41.12 40.75 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 -1.29 3.43 0.21 -2.12 4.77 0.23 -4.66 117.00 117.56 1nue n LEU 55 Ca 0.09 -2.15 0.17 0.00 -0.03 0.00 0.00 56.01 54.10 1nue n LEU 55 Cb 0.16 -0.35 0.83 0.00 -2.33 0.00 0.00 43.42 41.73 1nue n LEU 55 CO 0.15 0.79 1.15 0.07 -1.33 0.00 0.00 177.39 178.22 1nue h LYS 56 N 2.68 0.00 -0.01 3.23 2.10 -1.36 -1.39 116.57 121.83 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 0.93 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.26 1nue h LYS 56 CO 0.05 0.00 -0.40 -0.25 -2.00 0.00 0.00 179.45 176.85 1nue n ASP 57 N -3.80 0.93 -4.78 7.07 8.00 -1.26 -4.89 116.55 117.83 1nue n ASP 57 Ca 0.01 -0.74 -0.36 0.00 0.71 0.00 0.00 54.79 54.41 1nue n ASP 57 Cb 0.32 0.25 -0.02 0.00 -0.02 0.00 0.00 41.12 41.64 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 -2.69 3.92 0.25 -1.24 1.81 -0.52 -4.95 118.95 115.53 1nue s ARG 58 Ca 0.19 1.62 -0.03 0.00 -1.72 0.00 0.00 55.73 55.78 1nue s ARG 58 Cb 0.18 -2.42 0.43 0.00 -0.45 0.00 0.00 34.95 32.69 1nue s ARG 58 CO 0.60 -0.38 1.80 -1.35 -0.68 0.00 0.00 175.30 175.30 1nue h PRO 59 N 2.16 0.75 0.00 3.54 0.11 -1.91 -2.24 132.00 134.41 1nue h PRO 59 Ca -0.49 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.58 1nue h PRO 59 Cb 1.23 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1nue h PRO 59 CO 0.61 0.50 0.00 1.97 -0.21 0.00 0.00 178.00 180.87 1nue n PHE 60 N -4.76 0.00 -0.02 0.65 1.16 -1.26 -4.31 117.46 108.92 1nue n PHE 60 Ca 0.14 0.00 -0.10 0.00 -1.87 0.00 0.00 57.45 55.63 1nue n PHE 60 Cb 0.31 -0.33 -0.03 0.00 -1.61 0.00 0.00 39.48 37.81 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 0.00 -0.87 -0.87 2.97 3.57 -1.66 0.29 116.94 120.38 1nue h PHE 61 Ca 0.00 0.04 0.08 0.00 3.53 0.00 0.00 57.97 61.62 1nue h PHE 61 Cb 0.32 0.41 -0.06 0.00 2.79 0.00 0.00 35.95 39.41 1nue h PHE 61 CO 0.00 -0.39 0.57 -1.35 -2.23 0.00 0.00 178.31 174.91 1nue h PRO 62 N -0.36 0.91 -0.28 6.41 0.11 -1.81 -1.04 132.00 135.94 1nue h PRO 62 Ca 0.11 -0.05 -0.14 0.00 0.11 0.00 0.00 66.00 66.03 1nue h PRO 62 Cb 0.54 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.43 1nue h PRO 62 CO -0.39 0.60 -0.39 0.78 -0.21 0.00 0.00 178.00 178.40 1nue h GLY 63 N 0.93 0.71 0.80 -0.55 0.00 -1.70 -2.24 103.07 101.02 1nue h GLY 63 Ca 0.38 -0.71 -0.02 0.00 0.00 0.00 0.00 47.33 46.98 1nue h GLY 63 CO -0.15 0.64 0.00 -2.00 0.00 0.00 0.00 176.54 175.03 1nue h LEU 64 N 0.54 0.27 -0.79 3.11 5.85 -0.28 -1.66 115.31 122.35 1nue h LEU 64 Ca 0.05 -0.30 -0.02 0.00 0.84 0.00 0.00 57.88 58.45 1nue h LEU 64 Cb 0.91 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.83 1nue h LEU 64 CO 0.08 0.51 0.43 0.58 -0.34 0.00 0.00 178.44 179.71 1nue h VAL 65 N 0.03 1.24 -0.05 1.05 2.07 -1.17 -1.01 116.25 118.41 1nue h VAL 65 Ca 0.05 -0.59 -0.00 0.00 0.82 0.00 0.00 66.70 66.97 1nue h VAL 65 Cb 0.37 0.18 -0.00 0.00 -1.52 0.00 0.00 31.29 30.32 1nue h VAL 65 CO 0.01 0.26 0.02 0.11 0.02 0.00 0.00 177.57 177.99 1nue h LYS 66 N 1.10 0.07 -0.36 1.57 1.79 -1.34 -2.19 116.57 117.21 1nue h LYS 66 Ca 0.28 -0.01 0.03 0.00 -2.18 0.00 0.00 60.65 58.77 1nue h LYS 66 Cb 0.03 -0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 30.64 1nue h LYS 66 CO -0.04 0.20 0.17 -0.92 -1.08 0.00 0.00 179.45 177.77 1nue h TYR 67 N -0.07 0.31 0.00 -1.35 3.20 -1.12 -0.68 116.97 117.26 1nue h TYR 67 Ca 0.02 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.89 1nue h TYR 67 Cb 0.15 -0.09 -0.00 0.00 1.54 0.00 0.00 36.73 38.33 1nue h TYR 67 CO -0.02 0.16 -0.04 0.52 -1.64 0.00 0.00 178.16 177.14 1nue h MET 68 N 0.35 0.00 -0.00 1.82 2.86 -1.09 0.10 114.93 118.97 1nue h MET 68 Ca 0.15 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.79 1nue h MET 68 Cb 0.08 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.74 1nue h MET 68 CO -0.12 0.04 -0.68 -1.71 1.06 0.00 0.00 176.91 175.50 1nue n ASN 69 N -3.67 0.73 0.06 1.22 2.85 -0.82 -4.36 115.26 111.28 1nue n ASN 69 Ca -0.03 -0.57 0.09 0.00 -0.11 0.00 0.00 54.58 53.96 1nue n ASN 69 Cb 0.13 0.53 0.38 0.00 1.24 0.00 0.00 39.78 42.06 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 -1.45 0.31 -3.12 1.20 3.41 0.35 -4.85 113.62 109.47 1nue n SER 70 Ca 0.05 0.58 -0.07 0.00 -0.26 0.00 0.00 58.87 59.17 1nue n SER 70 Cb 0.34 -0.65 0.02 0.00 -0.26 0.00 0.00 64.21 63.66 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 -3.26 0.26 0.77 5.00 0.00 -1.26 -5.11 107.32 103.72 1nue s GLY 71 Ca 0.05 -0.60 -0.11 0.00 0.00 0.00 0.00 44.72 44.05 1nue s GLY 71 CO 0.29 0.23 1.08 2.56 0.00 0.00 0.00 173.10 177.26 1nue s PRO 72 N -2.47 2.31 0.05 2.90 0.04 -1.26 -4.65 135.00 131.92 1nue s PRO 72 Ca 0.16 0.86 0.05 0.00 0.04 0.00 0.00 61.00 62.11 1nue s PRO 72 Cb -0.05 -1.93 -0.02 0.00 0.04 0.00 0.00 34.50 32.54 1nue s PRO 72 CO 0.10 -1.52 -0.15 0.08 0.04 0.00 0.00 177.00 175.55 1nue s VAL 73 N -3.05 1.17 -0.41 -0.36 1.01 0.11 -3.90 120.40 114.96 1nue s VAL 73 Ca 0.60 -1.09 -0.13 0.00 0.00 0.00 0.00 61.98 61.36 1nue s VAL 73 Cb -0.15 -1.07 0.04 0.00 0.00 0.00 0.00 36.38 35.20 1nue s VAL 73 CO 0.55 -0.03 0.28 -0.69 0.00 0.00 0.00 175.10 175.21 1nue s VAL 74 N -0.94 4.94 -0.11 2.92 1.01 -0.93 -1.71 120.40 125.57 1nue s VAL 74 Ca 0.01 -0.86 -0.15 0.00 0.00 0.00 0.00 61.98 60.98 1nue s VAL 74 Cb -0.08 -3.81 -0.05 0.00 0.00 0.00 0.00 36.38 32.44 1nue s VAL 74 CO 0.02 -0.35 0.37 0.00 0.00 0.00 0.00 175.10 175.13 1nue s ALA 75 N 1.61 3.59 0.04 5.51 0.00 0.32 -1.26 121.76 131.55 1nue s ALA 75 Ca 0.04 -0.33 -0.02 0.00 0.00 0.00 0.00 51.96 51.64 1nue s ALA 75 Cb -0.20 -2.45 -0.02 0.00 0.00 0.00 0.00 23.12 20.44 1nue s ALA 75 CO 0.08 0.16 0.00 -1.64 0.00 0.00 0.00 175.76 174.36 1nue s MET 76 N 0.16 0.50 -0.10 0.00 -1.94 0.08 -1.23 119.30 116.76 1nue s MET 76 Ca 0.21 -0.87 0.02 0.00 -1.71 0.00 0.00 55.69 53.34 1nue s MET 76 Cb -0.14 0.18 0.01 0.00 2.01 0.00 0.00 34.83 36.89 1nue s MET 76 CO 0.08 -0.10 -0.17 0.08 -0.01 0.00 0.00 175.02 174.89 1nue s VAL 77 N -2.68 1.63 0.06 -6.03 1.01 -0.51 -0.99 120.40 112.89 1nue s VAL 77 Ca -0.05 -0.74 0.09 0.00 0.00 0.00 0.00 61.98 61.28 1nue s VAL 77 Cb -0.01 -1.46 -0.03 0.00 0.00 0.00 0.00 36.38 34.88 1nue s VAL 77 CO -0.05 0.47 -0.23 0.26 0.00 0.00 0.00 175.10 175.54 1nue s TRP 78 N 0.75 2.41 0.04 5.22 0.52 -0.81 -0.44 118.94 126.64 1nue s TRP 78 Ca -0.11 -0.35 0.08 0.00 0.02 0.00 0.00 56.10 55.74 1nue s TRP 78 Cb -0.16 -1.39 -0.03 0.00 -1.15 0.00 0.00 33.47 30.74 1nue s TRP 78 CO 0.02 0.21 -0.21 -2.00 0.02 0.00 0.00 176.95 174.99 1nue s GLU 79 N -1.48 1.95 0.00 4.98 2.12 0.71 -1.35 118.70 125.64 1nue s GLU 79 Ca 0.13 -1.04 0.00 0.00 0.36 0.00 0.00 54.97 54.42 1nue s GLU 79 Cb -0.10 -2.10 0.00 0.00 0.26 0.00 0.00 34.13 32.19 1nue s GLU 79 CO 0.04 0.53 0.00 0.41 -0.54 0.00 0.00 175.26 175.70 1nue n GLY 80 N 1.62 2.09 3.68 -1.50 0.00 -0.39 -1.66 105.19 109.03 1nue n GLY 80 Ca -0.16 -0.90 -0.42 0.00 0.00 0.00 0.00 46.02 44.53 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 4.38 -1.73 0.99 2.96 -1.26 -2.14 118.68 121.88 1nue s LEU 81 Ca 0.00 2.56 0.00 0.00 -0.22 0.00 0.00 54.13 56.47 1nue s LEU 81 Cb 0.00 -3.55 0.00 0.00 0.50 0.00 0.00 46.19 43.14 1nue s LEU 81 CO 0.00 -0.96 0.00 0.59 -1.32 0.00 0.00 176.35 174.66 1nue n ASN 82 N 6.24 -5.24 0.24 3.68 4.13 -1.26 -4.87 115.26 118.17 1nue n ASN 82 Ca 0.17 0.18 0.08 0.00 1.68 0.00 0.00 54.58 56.69 1nue n ASN 82 Cb 0.40 -4.47 0.62 0.00 -1.54 0.00 0.00 39.78 34.79 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 0.69 2.41 3.04 -1.73 -0.54 116.25 121.13 1nue h VAL 83 Ca -0.42 -0.02 -0.03 0.00 -1.01 0.00 0.00 66.70 65.21 1nue h VAL 83 Cb 1.29 0.96 0.01 0.00 -2.01 0.00 0.00 31.29 31.53 1nue h VAL 83 CO 0.54 0.01 -0.33 0.58 -1.01 0.00 0.00 177.57 177.35 1nue h VAL 84 N 0.05 0.17 -0.52 1.51 2.07 -1.85 0.28 116.25 117.95 1nue h VAL 84 Ca 0.01 -0.25 -0.04 0.00 0.82 0.00 0.00 66.70 67.25 1nue h VAL 84 Cb -0.00 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 29.96 1nue h VAL 84 CO -0.00 0.02 0.18 0.50 0.02 0.00 0.00 177.57 178.29 1nue h LYS 85 N -1.14 0.79 -0.43 1.57 1.63 -1.85 -2.33 116.57 114.81 1nue h LYS 85 Ca -0.10 -0.16 -0.10 0.00 -0.85 0.00 0.00 60.65 59.45 1nue h LYS 85 Cb 0.74 -0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 32.24 1nue h LYS 85 CO 0.16 0.71 -0.12 1.15 -3.45 0.00 0.00 179.45 177.90 1nue h THR 86 N 0.70 1.27 -0.98 1.00 2.02 -1.12 -1.87 112.91 113.94 1nue h THR 86 Ca 0.17 -1.23 0.08 0.00 0.77 0.00 0.00 66.41 66.20 1nue h THR 86 Cb 0.24 1.19 -0.07 0.00 -1.74 0.00 0.00 68.15 67.77 1nue h THR 86 CO -0.01 0.42 0.63 1.23 0.37 0.00 0.00 175.52 178.15 1nue h GLY 87 N 0.65 1.49 0.97 2.16 0.00 -0.35 -0.44 103.07 107.55 1nue h GLY 87 Ca 0.11 -0.44 -0.03 0.00 0.00 0.00 0.00 47.33 46.96 1nue h GLY 87 CO 0.04 0.29 0.18 3.21 0.00 0.00 0.00 176.54 180.26 1nue h ARG 88 N 1.09 0.76 -0.80 4.80 2.47 -0.97 -1.46 114.38 120.27 1nue h ARG 88 Ca 0.44 -0.15 0.03 0.00 -1.26 0.00 0.00 59.98 59.03 1nue h ARG 88 Cb 0.26 -0.12 -0.05 0.00 -1.65 0.00 0.00 29.97 28.41 1nue h ARG 88 CO -0.18 0.70 0.52 0.28 0.56 0.00 0.00 179.97 181.84 1nue h VAL 89 N 0.67 1.15 -0.47 2.04 2.07 -0.49 -2.15 116.25 119.07 1nue h VAL 89 Ca 0.16 -0.35 -0.06 0.00 0.82 0.00 0.00 66.70 67.27 1nue h VAL 89 Cb 0.24 0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.02 1nue h VAL 89 CO -0.01 0.19 0.05 0.24 0.02 0.00 0.00 177.57 178.06 1nue h MET 90 N 1.02 0.75 -0.28 1.57 2.86 -0.68 -2.96 114.93 117.20 1nue h MET 90 Ca 0.31 -0.17 -0.04 0.00 -2.06 0.00 0.00 59.70 57.74 1nue h MET 90 Cb -0.03 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.52 1nue h MET 90 CO -0.10 0.72 0.00 -0.07 1.06 0.00 0.00 176.91 178.53 1nue h LEU 91 N 0.71 0.49 0.00 1.22 3.38 -0.80 0.18 115.31 120.48 1nue h LEU 91 Ca 0.15 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1nue h LEU 91 Cb 0.36 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1nue h LEU 91 CO 0.01 0.67 0.00 0.61 0.09 0.00 0.00 178.44 179.82 1nue n GLY 92 N -0.34 -0.95 3.89 0.83 0.00 -0.85 -1.11 105.19 106.66 1nue n GLY 92 Ca -0.03 -2.13 -0.29 0.00 0.00 0.00 0.00 46.02 43.57 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 3.48 0.18 1.61 0.41 -1.26 -4.81 118.70 118.31 1nue s GLU 93 Ca 0.00 0.42 -0.13 0.00 -0.41 0.00 0.00 54.97 54.84 1nue s GLU 93 Cb 0.00 -2.23 0.18 0.00 -1.78 0.00 0.00 34.13 30.30 1nue s GLU 93 CO 0.00 -0.44 1.71 1.15 -0.49 0.00 0.00 175.26 177.19 1nue h THR 94 N -0.07 0.70 -3.51 3.63 2.02 -1.95 -3.35 112.91 110.38 1nue h THR 94 Ca -0.46 -0.07 -0.61 0.00 0.77 0.00 0.00 66.41 66.05 1nue h THR 94 Cb 1.21 0.48 -0.11 0.00 -1.74 0.00 0.00 68.15 67.99 1nue h THR 94 CO 0.62 0.04 0.37 0.21 0.37 0.00 0.00 175.52 177.12 1nue s ASN 95 N -5.29 6.57 0.57 4.18 3.84 -1.26 -4.74 114.94 118.80 1nue s ASN 95 Ca -0.13 0.42 0.31 0.00 0.21 0.00 0.00 52.86 53.66 1nue s ASN 95 Cb 0.15 -2.40 1.45 0.00 -0.55 0.00 0.00 41.25 39.91 1nue s ASN 95 CO 0.72 -0.70 1.84 -0.65 -2.79 0.00 0.00 177.10 175.53 1nue h PRO 96 N 8.40 0.00 0.00 0.43 0.11 -1.78 0.27 132.00 139.43 1nue h PRO 96 Ca -0.25 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.84 1nue h PRO 96 Cb 1.10 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 1nue h PRO 96 CO 0.90 0.00 -0.10 0.00 -0.21 0.00 0.00 178.00 178.60 1nue h ALA 97 N 1.42 1.12 -0.02 -0.75 0.00 -1.87 -0.92 119.26 118.23 1nue h ALA 97 Ca 0.35 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1nue h ALA 97 Cb 1.61 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.39 1nue h ALA 97 CO -0.00 0.12 -0.18 -0.25 0.00 0.00 0.00 179.25 178.93 1nue n ASP 98 N -3.38 2.29 -4.77 0.00 8.00 0.92 -4.93 116.55 114.69 1nue n ASP 98 Ca -0.01 -1.67 -0.39 0.00 0.71 0.00 0.00 54.79 53.43 1nue n ASP 98 Cb 0.27 0.17 -0.06 0.00 -0.02 0.00 0.00 41.12 41.49 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 -2.21 7.23 0.29 -2.24 0.01 -0.35 -4.59 113.70 111.84 1nue s SER 99 Ca 0.26 1.46 -0.16 0.00 1.31 0.00 0.00 55.95 58.82 1nue s SER 99 Cb 0.19 -2.45 -0.09 0.00 0.21 0.00 0.00 66.02 63.89 1nue s SER 99 CO 0.42 0.15 0.72 -0.54 0.41 0.00 0.00 173.24 174.39 1nue s LYS 100 N -0.68 4.05 0.44 12.44 -0.14 -1.26 -4.54 119.74 130.04 1nue s LYS 100 Ca 0.35 0.69 -0.25 0.00 -1.36 0.00 0.00 55.97 55.40 1nue s LYS 100 Cb -0.21 -2.57 -0.09 0.00 -1.68 0.00 0.00 37.83 33.28 1nue s LYS 100 CO 0.23 0.24 1.27 -2.30 -0.76 0.00 0.00 175.35 174.02 1nue n PRO 101 N -0.04 1.88 0.00 -1.68 -0.02 -1.26 -1.84 135.00 132.04 1nue n PRO 101 Ca 0.02 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 1nue n PRO 101 Cb 0.53 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 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 0.82 2.11 3.91 -1.23 0.00 -1.26 -4.97 105.19 104.57 1nue n GLY 102 Ca 0.07 -0.34 -0.27 0.00 0.00 0.00 0.00 46.02 45.48 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 -1.45 4.13 0.12 2.61 -4.23 -0.77 -4.92 115.64 111.13 1nue s THR 103 Ca 0.00 0.15 -0.16 0.00 -1.18 0.00 0.00 61.69 60.50 1nue s THR 103 Cb 0.00 -3.62 -0.02 0.00 1.34 0.00 0.00 72.50 70.20 1nue s THR 103 CO 0.00 -0.65 1.64 0.40 -0.54 0.00 0.00 174.62 175.47 1nue h ILE 104 N -0.08 1.21 -0.07 2.99 2.04 -0.96 -0.34 117.51 122.30 1nue h ILE 104 Ca -0.46 -0.70 -0.17 0.00 1.00 0.00 0.00 64.86 64.53 1nue h ILE 104 Cb 1.23 0.97 -0.01 0.00 -0.74 0.00 0.00 36.82 38.28 1nue h ILE 104 CO 0.61 0.24 -0.69 0.03 0.00 0.00 0.00 178.15 178.35 1nue h ARG 105 N 0.45 0.32 -0.76 2.37 3.08 -1.36 -1.94 114.38 116.54 1nue h ARG 105 Ca 0.12 -0.25 -0.02 0.00 0.07 0.00 0.00 59.98 59.90 1nue h ARG 105 Cb 0.26 0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.32 1nue h ARG 105 CO -0.00 0.89 0.39 0.78 -1.07 0.00 0.00 179.97 180.95 1nue h GLY 106 N 1.42 1.14 1.46 0.04 0.00 -1.66 -2.66 103.07 102.81 1nue h GLY 106 Ca -0.02 -0.53 -0.26 0.00 0.00 0.00 0.00 47.33 46.51 1nue h GLY 106 CO 0.11 0.51 -1.37 -0.55 0.00 0.00 0.00 176.54 175.24 1nue h ASP 107 N 1.07 0.10 -0.00 0.19 3.32 -0.99 -3.43 116.42 116.67 1nue h ASP 107 Ca 0.26 -0.13 0.00 0.00 0.02 0.00 0.00 57.03 57.18 1nue h ASP 107 Cb 0.07 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.59 1nue h ASP 107 CO -0.04 1.11 -0.08 0.49 -1.72 0.00 0.00 179.24 179.01 1nue n PHE 108 N -3.27 0.00 -4.02 4.55 3.72 -0.74 -5.08 117.46 112.62 1nue n PHE 108 Ca -0.10 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.20 1nue n PHE 108 Cb 1.00 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 39.49 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 -0.39 0.04 -4.39 0.00 5.41 -1.26 -4.75 119.36 114.01 1nue n ILE 110 Ca -0.01 -0.01 -0.32 0.00 1.00 0.00 0.00 62.75 63.41 1nue n ILE 110 Cb 0.62 -0.89 -0.10 0.00 -0.71 0.00 0.00 39.64 38.56 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 -2.01 2.55 0.53 0.38 0.74 -1.26 -3.99 119.66 116.59 1nue s GLN 111 Ca -0.01 -0.74 0.19 0.00 0.05 0.00 0.00 55.36 54.85 1nue s GLN 111 Cb 0.00 -2.51 1.35 0.00 1.10 0.00 0.00 33.01 32.95 1nue s GLN 111 CO 0.02 0.59 2.13 -0.24 -0.55 0.00 0.00 175.29 177.24 1nue h VAL 112 N 3.62 0.89 -0.00 1.34 3.04 -1.95 -0.78 116.25 122.41 1nue h VAL 112 Ca -0.48 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.21 1nue h VAL 112 Cb 1.17 0.94 0.00 0.00 -2.01 0.00 0.00 31.29 31.39 1nue h VAL 112 CO 0.54 0.00 -0.02 0.61 -1.01 0.00 0.00 177.57 177.69 1nue n GLY 113 N -1.54 -1.31 2.22 3.17 0.00 -1.26 -3.86 105.19 102.61 1nue n GLY 113 Ca -0.00 -0.15 -0.23 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.31 0.94 -1.33 1.61 5.12 -0.30 -4.98 116.66 116.40 1nue n ARG 114 Ca 0.12 -3.38 -0.23 0.00 -1.93 0.00 0.00 57.85 52.43 1nue n ARG 114 Cb 0.27 -1.41 0.11 0.00 -1.16 0.00 0.00 32.46 30.28 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 1.08 5.13 0.00 0.55 6.94 -1.20 -4.39 115.26 123.37 1nue n ASN 115 Ca 0.23 -3.75 0.00 0.00 -0.02 0.00 0.00 54.58 51.03 1nue n ASN 115 Cb 0.55 -0.74 0.00 0.00 -2.36 0.00 0.00 39.78 37.23 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 -0.97 0.00 -3.69 1.53 -5.35 -1.26 -4.77 119.36 104.85 1nue n ILE 116 Ca 0.51 0.00 -0.11 0.00 -0.27 0.00 0.00 62.75 62.88 1nue n ILE 116 Cb 1.00 0.00 -0.06 0.00 -1.74 0.00 0.00 39.64 38.85 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 0.08 0.02 7.28 2.07 -1.26 -0.48 121.20 128.91 1nue s ILE 117 Ca 0.00 -0.64 0.04 0.00 -1.41 0.00 0.00 60.65 58.64 1nue s ILE 117 Cb 0.00 -1.11 -0.02 0.00 0.13 0.00 0.00 42.46 41.46 1nue s ILE 117 CO 0.00 -0.35 -0.12 -2.28 -1.91 0.00 0.00 174.94 170.28 1nue s HIS 118 N -3.34 1.03 -0.06 3.50 5.65 0.11 -4.87 115.29 117.31 1nue s HIS 118 Ca 0.00 -0.31 -0.07 0.00 0.25 0.00 0.00 55.06 54.94 1nue s HIS 118 Cb 0.01 -0.62 0.02 0.00 -1.18 0.00 0.00 32.58 30.81 1nue s HIS 118 CO -0.08 0.00 0.19 0.20 -0.65 0.00 0.00 174.74 174.40 1nue s GLY 119 N -0.90 -0.12 0.40 1.59 0.00 -1.26 -0.92 107.32 106.11 1nue s GLY 119 Ca 0.01 0.46 -0.26 0.00 0.00 0.00 0.00 44.72 44.93 1nue s GLY 119 CO 0.01 0.38 1.36 1.44 0.00 0.00 0.00 173.10 176.29 1nue n SER 120 N 2.80 3.03 -0.56 1.64 7.64 -0.83 -4.94 113.62 122.40 1nue n SER 120 Ca -0.14 1.16 0.13 0.00 1.01 0.00 0.00 58.87 61.03 1nue n SER 120 Cb 0.58 -1.55 0.33 0.00 -1.01 0.00 0.00 64.21 62.56 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 0.28 1.85 -3.71 6.43 5.68 -1.26 -4.78 116.55 121.03 1nue n ASP 121 Ca 0.05 -1.51 -0.06 0.00 -0.50 0.00 0.00 54.79 52.76 1nue n ASP 121 Cb 0.39 0.08 -0.02 0.00 -1.14 0.00 0.00 41.12 40.44 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 -2.15 -0.28 0.17 -1.12 1.04 -1.26 -4.95 113.70 105.15 1nue s SER 122 Ca 0.31 -0.37 -0.10 0.00 0.48 0.00 0.00 55.95 56.27 1nue s SER 122 Cb 0.20 0.58 0.04 0.00 0.10 0.00 0.00 66.02 66.94 1nue s SER 122 CO 0.39 -1.03 1.61 0.58 0.98 0.00 0.00 173.24 175.76 1nue h VAL 123 N 2.00 1.27 0.05 5.02 2.07 -1.93 -0.00 116.25 124.72 1nue h VAL 123 Ca -0.23 -1.22 0.02 0.00 0.82 0.00 0.00 66.70 66.09 1nue h VAL 123 Cb 1.25 0.92 -0.03 0.00 -1.52 0.00 0.00 31.29 31.91 1nue h VAL 123 CO 0.27 0.43 -0.15 0.50 0.02 0.00 0.00 177.57 178.64 1nue h LYS 124 N 0.91 -0.27 -0.85 1.57 3.64 -1.98 -0.93 116.57 118.67 1nue h LYS 124 Ca 0.15 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.53 1nue h LYS 124 Cb 0.63 0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.47 1nue h LYS 124 CO 0.04 -0.18 0.47 0.77 -2.27 0.00 0.00 179.45 178.28 1nue h SER 125 N -0.28 1.06 -0.15 4.20 0.02 -1.92 -2.34 113.55 114.14 1nue h SER 125 Ca 0.04 -0.10 0.02 0.00 -0.84 0.00 0.00 61.79 60.91 1nue h SER 125 Cb 0.32 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.57 1nue h SER 125 CO -0.12 0.86 0.02 0.00 -1.14 0.00 0.00 176.83 176.45 1nue h ALA 126 N 1.25 0.14 -0.75 3.77 0.00 -0.56 0.21 119.26 123.33 1nue h ALA 126 Ca 0.30 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.22 1nue h ALA 126 Cb 0.03 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 1nue h ALA 126 CO -0.05 -0.43 0.38 0.93 0.00 0.00 0.00 179.25 180.09 1nue h GLU 127 N 0.07 1.05 -0.22 0.00 4.39 -1.07 0.51 114.58 119.32 1nue h GLU 127 Ca 0.07 -0.13 -0.05 0.00 0.34 0.00 0.00 59.36 59.59 1nue h GLU 127 Cb 0.07 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 28.51 1nue h GLU 127 CO -0.10 0.79 -0.04 -0.22 -1.16 0.00 0.00 179.01 178.28 1nue h LYS 128 N 1.05 0.42 -0.50 2.33 3.64 -1.09 -2.55 116.57 119.87 1nue h LYS 128 Ca 0.26 -0.16 -0.10 0.00 -1.27 0.00 0.00 60.65 59.39 1nue h LYS 128 Cb 0.07 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.85 1nue h LYS 128 CO -0.04 0.65 -0.08 0.93 -2.27 0.00 0.00 179.45 178.64 1nue h GLU 129 N 0.15 0.91 -0.66 1.90 5.08 -0.70 -1.90 114.58 119.37 1nue h GLU 129 Ca 0.06 -0.31 -0.02 0.00 -1.00 0.00 0.00 59.36 58.09 1nue h GLU 129 Cb 0.49 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.64 1nue h GLU 129 CO 0.02 0.96 0.35 0.82 -1.00 0.00 0.00 179.01 180.16 1nue h ILE 130 N 0.83 1.21 -0.33 3.13 2.04 -0.91 -0.82 117.51 122.65 1nue h ILE 130 Ca 0.14 -0.55 -0.08 0.00 1.00 0.00 0.00 64.86 65.37 1nue h ILE 130 Cb 0.61 0.37 -0.02 0.00 -0.74 0.00 0.00 36.82 37.04 1nue h ILE 130 CO 0.04 0.24 -0.12 0.28 0.00 0.00 0.00 178.15 178.58 1nue h SER 131 N 0.90 0.56 -0.34 1.72 0.02 -1.27 -0.54 113.55 114.61 1nue h SER 131 Ca 0.23 -0.15 -0.14 0.00 -0.84 0.00 0.00 61.79 60.88 1nue h SER 131 Cb 0.06 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 62.45 1nue h SER 131 CO -0.03 0.71 -0.35 0.25 -1.14 0.00 0.00 176.83 176.27 1nue h LEU 132 N 0.53 0.90 0.00 5.07 5.85 -0.83 -3.36 115.31 123.47 1nue h LEU 132 Ca 0.10 -0.47 -0.12 0.00 0.84 0.00 0.00 57.88 58.23 1nue h LEU 132 Cb 0.52 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 1nue h LEU 132 CO 0.03 1.19 -1.48 0.79 -0.34 0.00 0.00 178.44 178.63 1nue n TRP 133 N -4.15 0.76 -4.21 1.25 7.02 -0.36 -4.97 117.44 112.78 1nue n TRP 133 Ca -0.03 0.24 -0.18 0.00 -1.02 0.00 0.00 57.50 56.51 1nue n TRP 133 Cb 0.52 -0.96 -0.12 0.00 -2.42 0.00 0.00 31.31 28.33 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 -3.09 1.34 0.24 -5.99 0.08 -0.22 -5.09 117.98 105.25 1nue s PHE 134 Ca -0.04 -0.50 -0.03 0.00 0.12 0.00 0.00 56.93 56.48 1nue s PHE 134 Cb 0.09 -0.73 -0.05 0.00 -0.57 0.00 0.00 43.02 41.77 1nue s PHE 134 CO 0.82 0.10 0.47 0.15 -0.10 0.00 0.00 175.22 176.67 1nue s LYS 135 N -2.19 3.58 0.28 0.44 1.02 -1.26 -4.52 119.74 117.09 1nue s LYS 135 Ca 0.04 -0.17 0.02 0.00 0.02 0.00 0.00 55.97 55.88 1nue s LYS 135 Cb -0.08 -2.74 0.61 0.00 -0.52 0.00 0.00 37.83 35.10 1nue s LYS 135 CO 0.03 0.31 1.79 -1.35 -0.92 0.00 0.00 175.35 175.20 1nue h PRO 136 N 1.85 0.75 0.00 -1.68 0.11 -1.96 -0.67 132.00 130.40 1nue h PRO 136 Ca -0.48 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1nue h PRO 136 Cb 1.19 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.13 1nue h PRO 136 CO 0.67 0.50 0.00 -0.85 -0.21 0.00 0.00 178.00 178.11 1nue n GLU 137 N -4.77 0.66 0.00 1.05 0.00 -1.26 -2.59 120.64 113.73 1nue n GLU 137 Ca 0.20 0.00 0.12 0.00 0.00 0.00 0.00 57.16 57.47 1nue n GLU 137 Cb 0.46 -1.49 0.12 0.00 0.00 0.00 0.00 31.44 30.53 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 -0.99 0.66 -3.32 3.44 1.02 -0.26 -4.81 120.64 116.38 1nue n GLU 138 Ca 0.15 -0.49 -0.41 0.00 -0.02 0.00 0.00 57.16 56.40 1nue n GLU 138 Cb 0.07 -1.49 -0.08 0.00 -0.02 0.00 0.00 31.44 29.92 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 -2.68 4.32 -0.08 -4.62 1.43 -1.07 -4.56 118.68 111.43 1nue s LEU 139 Ca 0.17 -0.03 -0.18 0.00 -1.03 0.00 0.00 54.13 53.06 1nue s LEU 139 Cb 0.18 -2.48 -0.05 0.00 0.03 0.00 0.00 46.19 43.87 1nue s LEU 139 CO 0.64 -0.38 0.48 -0.69 0.23 0.00 0.00 176.35 176.63 1nue s VAL 140 N 2.22 5.11 -0.17 -1.59 1.01 0.21 -5.02 120.40 122.17 1nue s VAL 140 Ca 0.16 0.97 -0.04 0.00 0.00 0.00 0.00 61.98 63.07 1nue s VAL 140 Cb -0.16 -3.81 -0.02 0.00 0.00 0.00 0.00 36.38 32.39 1nue s VAL 140 CO 0.12 0.39 -0.03 -1.81 0.00 0.00 0.00 175.10 173.77 1nue s ASP 141 N 0.16 4.69 0.25 3.32 1.01 -1.26 -4.73 116.67 120.11 1nue s ASP 141 Ca 0.26 -0.20 -0.22 0.00 0.71 0.00 0.00 52.55 53.11 1nue s ASP 141 Cb -0.16 -1.78 0.03 0.00 1.01 0.00 0.00 42.92 42.03 1nue s ASP 141 CO 0.12 0.12 0.71 -0.72 0.21 0.00 0.00 175.17 175.60 1nue s TYR 142 N 0.67 -0.25 -0.09 4.23 1.13 -1.26 -5.16 117.35 116.62 1nue s TYR 142 Ca -0.02 -0.16 0.03 0.00 -1.41 0.00 0.00 57.07 55.50 1nue s TYR 142 Cb -0.14 0.68 -0.02 0.00 -1.10 0.00 0.00 41.96 41.38 1nue s TYR 142 CO 0.02 -1.16 -0.17 0.21 -2.51 0.00 0.00 175.55 171.95 1nue s LYS 143 N -3.86 2.89 0.33 -3.49 2.20 -1.26 -5.10 119.74 111.45 1nue s LYS 143 Ca 0.09 -0.75 -0.28 0.00 -0.36 0.00 0.00 55.97 54.67 1nue s LYS 143 Cb -0.05 -2.42 -0.10 0.00 -1.51 0.00 0.00 37.83 33.75 1nue s LYS 143 CO 0.03 0.38 1.24 -1.12 -0.36 0.00 0.00 175.35 175.52 1nue s SER 144 N -0.12 6.82 0.51 1.43 0.01 -1.26 -4.93 113.70 116.16 1nue s SER 144 Ca -0.03 2.54 0.28 0.00 1.31 0.00 0.00 55.95 60.05 1nue s SER 144 Cb -0.14 -2.64 1.34 0.00 0.21 0.00 0.00 66.02 64.80 1nue s SER 144 CO 0.04 -0.48 2.01 0.00 0.41 0.00 0.00 173.24 175.22 1nue n ALA 146 N -2.24 2.42 -0.17 0.00 0.00 -1.26 -4.57 120.51 114.69 1nue n ALA 146 Ca -0.01 -0.93 -0.04 0.00 0.00 0.00 0.00 53.44 52.46 1nue n ALA 146 Cb 0.29 -0.96 0.02 0.00 0.00 0.00 0.00 19.45 18.80 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 3.17 -0.68 0.00 0.00 6.17 -1.83 0.15 115.15 122.14 1nue h HIS 147 Ca 0.00 0.06 0.00 0.00 0.71 0.00 0.00 60.37 61.14 1nue h HIS 147 Cb 0.72 0.38 0.00 0.00 2.52 0.00 0.00 27.41 31.03 1nue h HIS 147 CO 0.34 -0.34 0.00 -0.25 0.71 0.00 0.00 177.93 178.40 1nue n ASP 148 N -5.42 0.00 -0.00 3.26 8.00 -1.26 -1.02 116.55 120.10 1nue n ASP 148 Ca 0.04 0.36 0.10 0.00 0.71 0.00 0.00 54.79 56.01 1nue n ASP 148 Cb 0.33 -0.42 -0.13 0.00 -0.02 0.00 0.00 41.12 40.88 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 -1.42 0.00 -0.11 1.24 7.02 0.46 -4.32 117.44 120.30 1nue n TRP 149 Ca 0.04 0.00 -0.14 0.00 -1.02 0.00 0.00 57.50 56.38 1nue n TRP 149 Cb 0.12 -0.07 -0.13 0.00 -2.42 0.00 0.00 31.31 28.81 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 -1.60 1.40 -4.78 -0.99 0.31 -0.76 -4.99 118.33 106.91 1nue n VAL 150 Ca 0.03 -0.69 -0.30 0.00 -0.01 0.00 0.00 64.34 63.38 1nue n VAL 150 Cb 0.36 -0.96 -0.14 0.00 -0.91 0.00 0.00 33.84 32.19 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 -2.49 2.30 -2.00 3.52 2.02 -0.19 -5.11 117.35 115.40 1nue s TYR 151 Ca -0.22 -0.41 0.07 0.00 -0.37 0.00 0.00 57.07 56.14 1nue s TYR 151 Cb 0.07 -1.35 0.40 0.00 -0.40 0.00 0.00 41.96 40.69 1nue s TYR 151 CO 0.69 0.17 0.86 0.39 -1.57 0.00 0.00 175.55 176.09