#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 6.05 0.58 0.00 2.47 -1.26 -5.06 114.94 117.72 1nue s ASN 3 Ca 0.00 1.83 0.01 0.00 0.42 0.00 0.00 52.86 55.12 1nue s ASN 3 Cb 0.00 -2.54 0.05 0.00 -1.45 0.00 0.00 41.25 37.31 1nue s ASN 3 CO 0.00 -0.98 0.81 -0.76 -3.72 0.00 0.00 177.10 172.45 1nue s LEU 4 N -4.13 3.21 0.66 3.21 1.43 -1.26 -5.07 118.68 116.73 1nue s LEU 4 Ca 0.64 -0.02 -0.18 0.00 -1.03 0.00 0.00 54.13 53.54 1nue s LEU 4 Cb -0.16 -2.78 -0.00 0.00 0.03 0.00 0.00 46.19 43.28 1nue s LEU 4 CO 0.31 -1.25 1.28 -0.70 0.23 0.00 0.00 176.35 176.21 1nue s GLU 5 N -4.84 2.51 0.07 1.70 2.12 -1.22 -4.71 118.70 114.34 1nue s GLU 5 Ca 0.58 2.02 0.05 0.00 0.36 0.00 0.00 54.97 57.98 1nue s GLU 5 Cb -0.10 -1.85 -0.03 0.00 0.26 0.00 0.00 34.13 32.42 1nue s GLU 5 CO 0.39 -1.62 -0.13 1.03 -0.54 0.00 0.00 175.26 174.39 1nue s ARG 6 N -3.44 0.81 0.06 4.30 1.81 -1.26 -0.75 118.95 120.47 1nue s ARG 6 Ca 0.81 -0.97 0.00 0.00 -1.72 0.00 0.00 55.73 53.85 1nue s ARG 6 Cb -0.36 -0.77 -0.04 0.00 -0.45 0.00 0.00 34.95 33.33 1nue s ARG 6 CO 0.40 0.17 -0.04 -0.08 -0.68 0.00 0.00 175.30 175.06 1nue s THR 7 N -1.42 0.35 -0.24 0.02 -1.32 -0.18 -4.71 115.64 108.15 1nue s THR 7 Ca -0.01 -1.66 -0.09 0.00 -1.21 0.00 0.00 61.69 58.72 1nue s THR 7 Cb -0.09 -1.31 -0.04 0.00 -1.51 0.00 0.00 72.50 69.55 1nue s THR 7 CO 0.02 -0.85 0.11 0.12 -2.21 0.00 0.00 174.62 171.81 1nue s PHE 8 N -3.29 3.19 -0.09 9.09 5.36 -1.26 -1.91 117.98 129.06 1nue s PHE 8 Ca 0.04 -0.07 0.04 0.00 -0.96 0.00 0.00 56.93 55.98 1nue s PHE 8 Cb 0.03 -2.24 0.00 0.00 -0.34 0.00 0.00 43.02 40.48 1nue s PHE 8 CO -0.07 -0.12 -0.22 0.42 -1.46 0.00 0.00 175.22 173.78 1nue s ILE 9 N 1.25 1.90 -0.05 3.12 -1.09 -0.20 -2.00 121.20 124.14 1nue s ILE 9 Ca 0.06 -0.93 0.03 0.00 -2.23 0.00 0.00 60.65 57.57 1nue s ILE 9 Cb -0.14 -1.65 0.00 0.00 -1.58 0.00 0.00 42.46 39.09 1nue s ILE 9 CO 0.05 0.53 -0.14 0.00 -1.23 0.00 0.00 174.94 174.14 1nue s ALA 10 N 0.34 1.36 -0.22 9.38 0.00 -0.52 -0.48 121.76 131.63 1nue s ALA 10 Ca -0.17 -0.54 -0.22 0.00 0.00 0.00 0.00 51.96 51.04 1nue s ALA 10 Cb -0.17 -0.53 -0.02 0.00 0.00 0.00 0.00 23.12 22.40 1nue s ALA 10 CO 0.08 0.19 0.67 0.42 0.00 0.00 0.00 175.76 177.12 1nue s ILE 11 N 0.34 4.98 0.89 0.00 1.01 -0.08 -0.50 121.20 127.84 1nue s ILE 11 Ca -0.09 1.26 -0.12 0.00 0.00 0.00 0.00 60.65 61.70 1nue s ILE 11 Cb -0.13 -3.98 0.12 0.00 0.01 0.00 0.00 42.46 38.48 1nue s ILE 11 CO 0.03 0.06 1.10 -0.54 0.00 0.00 0.00 174.94 175.59 1nue s LYS 12 N 2.20 1.32 0.36 2.79 1.02 0.11 -2.52 119.74 125.02 1nue s LYS 12 Ca 0.30 0.63 0.14 0.00 0.02 0.00 0.00 55.97 57.06 1nue s LYS 12 Cb -0.16 -1.83 0.97 0.00 -0.52 0.00 0.00 37.83 36.30 1nue s LYS 12 CO 0.10 -2.15 1.77 -1.35 -0.92 0.00 0.00 175.35 172.80 1nue h PRO 13 N -1.47 0.50 -0.07 -1.68 0.11 -1.86 0.64 132.00 128.17 1nue h PRO 13 Ca -0.50 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 65.51 1nue h PRO 13 Cb 1.30 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 1nue h PRO 13 CO 0.58 0.33 -0.30 0.38 -0.21 0.00 0.00 178.00 178.78 1nue h ASP 14 N 0.52 0.13 -0.20 -2.05 2.03 -1.89 -0.48 116.42 114.47 1nue h ASP 14 Ca 0.59 -0.04 -0.15 0.00 -0.73 0.00 0.00 57.03 56.70 1nue h ASP 14 Cb 1.27 -0.03 -0.01 0.00 -0.83 0.00 0.00 39.33 39.73 1nue h ASP 14 CO -0.34 0.43 -0.39 1.23 -1.03 0.00 0.00 179.24 179.14 1nue h GLY 15 N 0.99 0.81 0.64 7.15 0.00 -1.06 -0.65 103.07 110.95 1nue h GLY 15 Ca 0.02 -0.81 -0.02 0.00 0.00 0.00 0.00 47.33 46.51 1nue h GLY 15 CO 0.04 0.74 -0.04 -2.08 0.00 0.00 0.00 176.54 175.20 1nue h VAL 16 N 0.61 1.34 -0.38 4.60 2.07 -1.23 -1.51 116.25 121.75 1nue h VAL 16 Ca 0.05 -1.08 -0.00 0.00 0.82 0.00 0.00 66.70 66.48 1nue h VAL 16 Cb 0.94 1.93 -0.02 0.00 -1.52 0.00 0.00 31.29 32.62 1nue h VAL 16 CO 0.09 0.30 0.22 1.56 0.02 0.00 0.00 177.57 179.75 1nue h GLN 17 N -0.26 0.51 -0.33 1.57 1.08 -1.04 -1.41 115.11 115.23 1nue h GLN 17 Ca 0.01 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.17 1nue h GLN 17 Cb 0.50 -0.11 0.00 0.00 -0.05 0.00 0.00 27.48 27.82 1nue h GLN 17 CO 0.01 0.37 0.00 0.54 -0.95 0.00 0.00 178.83 178.80 1nue n ARG 18 N -4.45 1.80 -3.21 1.46 1.74 -0.26 -4.95 116.66 108.80 1nue n ARG 18 Ca 0.03 -1.23 -0.17 0.00 -0.77 0.00 0.00 57.85 55.70 1nue n ARG 18 Cb 0.09 -1.29 0.05 0.00 -1.02 0.00 0.00 32.46 30.29 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 1.06 -0.12 0.62 -0.13 0.00 -0.53 -4.94 105.19 101.14 1nue n GLY 19 Ca 0.12 -0.03 0.05 0.00 0.00 0.00 0.00 46.02 46.16 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 -3.59 2.84 0.15 0.99 4.77 -0.58 -4.73 117.00 116.85 1nue n LEU 20 Ca -0.01 -1.93 -0.14 0.00 -0.03 0.00 0.00 56.01 53.91 1nue n LEU 20 Cb 0.55 -0.21 -0.07 0.00 -2.33 0.00 0.00 43.42 41.36 1nue n LEU 20 CO 0.44 0.70 0.76 0.58 -1.33 0.00 0.00 177.39 178.55 1nue h VAL 21 N 2.00 0.66 -0.62 4.08 2.07 -1.88 -1.97 116.25 120.59 1nue h VAL 21 Ca 0.00 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 1nue h VAL 21 Cb 0.71 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 31.11 1nue h VAL 21 CO 0.00 0.00 0.30 1.23 0.02 0.00 0.00 177.57 179.12 1nue h GLY 22 N -0.38 0.97 0.85 2.17 0.00 -1.96 -1.72 103.07 102.99 1nue h GLY 22 Ca -0.01 -0.48 0.03 0.00 0.00 0.00 0.00 47.33 46.87 1nue h GLY 22 CO -0.00 0.46 0.45 -2.09 0.00 0.00 0.00 176.54 175.35 1nue h GLU 23 N 0.86 0.84 -0.07 4.80 4.57 -1.85 -0.93 114.58 122.81 1nue h GLU 23 Ca 0.21 -0.05 -0.03 0.00 -1.18 0.00 0.00 59.36 58.32 1nue h GLU 23 Cb 0.13 -0.19 -0.00 0.00 -0.16 0.00 0.00 28.75 28.52 1nue h GLU 23 CO -0.03 0.56 -0.07 0.82 -1.18 0.00 0.00 179.01 179.11 1nue h ILE 24 N 0.87 1.37 -0.77 2.32 2.04 -1.15 -2.83 117.51 119.35 1nue h ILE 24 Ca 0.29 -1.22 0.05 0.00 1.00 0.00 0.00 64.86 64.98 1nue h ILE 24 Cb 0.04 2.03 -0.05 0.00 -0.74 0.00 0.00 36.82 38.10 1nue h ILE 24 CO -0.12 0.34 0.47 0.40 0.00 0.00 0.00 178.15 179.24 1nue h ILE 25 N -0.27 1.05 -0.86 -0.67 2.04 -1.23 -2.13 117.51 115.44 1nue h ILE 25 Ca 0.01 -0.31 0.08 0.00 1.00 0.00 0.00 64.86 65.64 1nue h ILE 25 Cb 0.57 0.08 -0.07 0.00 -0.74 0.00 0.00 36.82 36.67 1nue h ILE 25 CO 0.02 0.16 0.52 0.50 0.00 0.00 0.00 178.15 179.35 1nue h LYS 26 N 0.89 0.89 -0.80 2.37 3.64 -1.15 -1.33 116.57 121.08 1nue h LYS 26 Ca 0.33 -0.05 0.03 0.00 -1.27 0.00 0.00 60.65 59.68 1nue h LYS 26 Cb 0.11 -0.20 -0.04 0.00 -0.41 0.00 0.00 32.23 31.68 1nue h LYS 26 CO -0.15 0.59 0.53 0.00 -2.27 0.00 0.00 179.45 178.15 1nue h ARG 27 N 0.92 0.98 -0.08 1.90 3.08 -1.12 -0.54 114.38 119.52 1nue h ARG 27 Ca 0.39 -0.06 -0.22 0.00 0.07 0.00 0.00 59.98 60.16 1nue h ARG 27 Cb 0.25 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.08 1nue h ARG 27 CO -0.20 0.65 -0.83 0.74 -1.07 0.00 0.00 179.97 179.27 1nue h PHE 28 N 1.01 0.80 -0.23 3.04 0.04 -1.34 -2.89 116.94 117.38 1nue h PHE 28 Ca 0.31 -0.38 -0.02 0.00 2.80 0.00 0.00 57.97 60.68 1nue h PHE 28 Cb -0.00 -0.11 -0.01 0.00 2.20 0.00 0.00 35.95 38.02 1nue h PHE 28 CO -0.00 1.18 0.06 0.93 -0.60 0.00 0.00 178.31 179.88 1nue h GLU 29 N 0.37 0.36 -0.20 1.51 5.08 -0.94 -2.78 114.58 117.99 1nue h GLU 29 Ca -0.06 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.20 1nue h GLU 29 Cb 1.44 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.63 1nue h GLU 29 CO 0.15 0.47 0.07 1.96 -1.00 0.00 0.00 179.01 180.66 1nue h GLN 30 N 0.19 0.28 0.00 2.33 4.20 -1.15 -2.14 115.11 118.82 1nue h GLN 30 Ca 0.07 -0.03 -0.05 0.00 0.06 0.00 0.00 58.65 58.71 1nue h GLN 30 Cb 0.27 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.99 1nue h GLN 30 CO 0.00 0.25 -0.22 -0.22 -0.67 0.00 0.00 178.83 177.96 1nue h LYS 31 N 0.28 0.00 0.00 1.46 1.63 -1.35 -3.47 116.57 115.12 1nue h LYS 31 Ca 0.07 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.87 1nue h LYS 31 Cb 0.08 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.71 1nue h LYS 31 CO -0.01 0.22 0.00 0.41 -3.45 0.00 0.00 179.45 176.63 1nue n GLY 32 N -0.19 1.01 3.83 5.01 0.00 -0.80 -5.10 105.19 108.95 1nue n GLY 32 Ca -0.01 0.00 -0.32 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 3.32 -0.17 1.61 0.08 -1.06 -4.99 117.98 114.77 1nue s PHE 33 Ca 0.00 1.45 -0.06 0.00 0.12 0.00 0.00 56.93 58.44 1nue s PHE 33 Cb 0.00 -2.85 -0.04 0.00 -0.57 0.00 0.00 43.02 39.57 1nue s PHE 33 CO 0.00 -0.68 0.03 0.50 -0.10 0.00 0.00 175.22 174.96 1nue s ARG 34 N -4.30 3.83 -0.15 0.44 3.52 -0.54 -4.61 118.95 117.14 1nue s ARG 34 Ca 0.60 -0.40 -0.29 0.00 -0.13 0.00 0.00 55.73 55.50 1nue s ARG 34 Cb -0.12 -3.10 -0.01 0.00 -1.56 0.00 0.00 34.95 30.16 1nue s ARG 34 CO 0.38 0.30 1.13 -1.17 -0.81 0.00 0.00 175.30 175.12 1nue s LEU 35 N 0.27 4.19 -0.18 -0.88 2.96 -1.26 -0.41 118.68 123.37 1nue s LEU 35 Ca 0.01 1.59 0.12 0.00 -0.22 0.00 0.00 54.13 55.63 1nue s LEU 35 Cb -0.13 -3.55 -0.19 0.00 0.50 0.00 0.00 46.19 42.83 1nue s LEU 35 CO 0.01 -0.63 -0.00 0.52 -1.32 0.00 0.00 176.35 174.93 1nue n VAL 36 N 5.03 1.16 -3.63 1.68 0.31 0.32 -4.93 118.33 118.27 1nue n VAL 36 Ca 0.12 -0.65 -0.16 0.00 -0.01 0.00 0.00 64.34 63.64 1nue n VAL 36 Cb 0.46 -0.72 -0.07 0.00 -0.91 0.00 0.00 33.84 32.60 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 -2.41 -1.31 -0.28 3.52 0.00 -1.14 -0.45 121.76 119.68 1nue s ALA 37 Ca -0.13 0.83 -0.21 0.00 0.00 0.00 0.00 51.96 52.45 1nue s ALA 37 Cb 0.06 0.07 0.11 0.00 0.00 0.00 0.00 23.12 23.36 1nue s ALA 37 CO 0.64 -0.34 0.92 1.41 0.00 0.00 0.00 175.76 178.39 1nue s MET 38 N -1.37 0.55 0.06 0.00 0.00 -1.26 -1.37 119.30 115.91 1nue s MET 38 Ca -0.12 0.77 -0.20 0.00 0.00 0.00 0.00 55.69 56.15 1nue s MET 38 Cb -0.02 0.20 0.05 0.00 0.00 0.00 0.00 34.83 35.06 1nue s MET 38 CO 0.06 -0.09 0.48 -1.59 0.00 0.00 0.00 175.02 173.89 1nue s LYS 39 N 0.79 1.01 -0.15 4.11 -2.85 -0.58 -5.02 119.74 117.06 1nue s LYS 39 Ca -0.03 -0.34 -0.00 0.00 -1.00 0.00 0.00 55.97 54.60 1nue s LYS 39 Cb -0.05 0.46 -0.01 0.00 -2.06 0.00 0.00 37.83 36.17 1nue s LYS 39 CO -0.10 -0.37 -0.13 0.12 0.10 0.00 0.00 175.35 174.97 1nue s PHE 40 N -2.66 2.82 0.22 1.78 5.36 -1.26 -0.95 117.98 123.29 1nue s PHE 40 Ca -0.04 -0.81 -0.22 0.00 -0.96 0.00 0.00 56.93 54.90 1nue s PHE 40 Cb -0.00 -1.89 0.04 0.00 -0.34 0.00 0.00 43.02 40.83 1nue s PHE 40 CO -0.04 -0.33 0.71 -0.48 -1.46 0.00 0.00 175.22 173.62 1nue s LEU 41 N 0.62 -0.35 -0.27 6.12 2.34 -0.68 -4.97 118.68 121.49 1nue s LEU 41 Ca -0.07 -0.38 -0.07 0.00 0.06 0.00 0.00 54.13 53.67 1nue s LEU 41 Cb -0.16 2.61 -0.00 0.00 -0.56 0.00 0.00 46.19 48.08 1nue s LEU 41 CO 0.03 -1.16 0.07 -0.60 -1.06 0.00 0.00 176.35 173.62 1nue s ARG 42 N -3.78 3.30 0.27 1.48 3.52 -1.26 0.26 118.95 122.74 1nue s ARG 42 Ca 0.08 -0.71 -0.29 0.00 -0.13 0.00 0.00 55.73 54.68 1nue s ARG 42 Cb -0.04 -3.32 -0.09 0.00 -1.56 0.00 0.00 34.95 29.93 1nue s ARG 42 CO -0.00 -0.34 0.96 0.00 -0.81 0.00 0.00 175.30 175.11 1nue s ALA 43 N 1.54 3.31 0.71 6.12 0.00 -1.26 -5.01 121.76 127.15 1nue s ALA 43 Ca 0.04 0.63 -0.11 0.00 0.00 0.00 0.00 51.96 52.53 1nue s ALA 43 Cb -0.16 -3.22 0.01 0.00 0.00 0.00 0.00 23.12 19.75 1nue s ALA 43 CO 0.02 0.14 1.06 -1.54 0.00 0.00 0.00 175.76 175.45 1nue s SER 44 N -1.26 5.28 0.24 0.00 1.04 -1.26 -4.61 113.70 113.12 1nue s SER 44 Ca 0.44 1.58 -0.07 0.00 0.48 0.00 0.00 55.95 58.39 1nue s SER 44 Cb -0.25 -2.44 0.25 0.00 0.10 0.00 0.00 66.02 63.68 1nue s SER 44 CO 0.31 -1.51 1.90 -0.33 0.98 0.00 0.00 173.24 174.60 1nue h GLU 45 N -0.76 1.17 -0.91 4.02 5.08 -1.97 -0.92 114.58 120.30 1nue h GLU 45 Ca -0.44 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 57.84 1nue h GLU 45 Cb 1.22 -0.26 -0.04 0.00 0.50 0.00 0.00 28.75 30.16 1nue h GLU 45 CO 0.57 0.77 0.55 0.93 -1.00 0.00 0.00 179.01 180.83 1nue h GLU 46 N 1.21 1.23 -0.07 2.33 3.07 -1.99 0.50 114.58 120.86 1nue h GLU 46 Ca 0.35 -0.11 -0.00 0.00 -0.50 0.00 0.00 59.36 59.09 1nue h GLU 46 Cb -0.08 -0.26 -0.00 0.00 -0.84 0.00 0.00 28.75 27.57 1nue h GLU 46 CO -0.09 0.86 0.02 1.25 -1.40 0.00 0.00 179.01 179.66 1nue h HIS 47 N 1.25 0.10 -0.28 4.33 2.76 -1.72 -2.57 115.15 119.02 1nue h HIS 47 Ca 0.33 -0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.47 1nue h HIS 47 Cb -0.05 -0.03 -0.01 0.00 1.55 0.00 0.00 27.41 28.86 1nue h HIS 47 CO 0.00 0.25 0.11 -0.07 -1.30 0.00 0.00 177.93 176.92 1nue h LEU 48 N -0.07 0.34 -0.76 0.26 3.38 -0.89 -0.87 115.31 116.70 1nue h LEU 48 Ca 0.02 -0.03 -0.11 0.00 0.09 0.00 0.00 57.88 57.85 1nue h LEU 48 Cb 0.19 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1nue h LEU 48 CO -0.00 0.32 -0.26 0.11 0.09 0.00 0.00 178.44 178.70 1nue h LYS 49 N 0.39 0.65 -0.24 1.13 1.57 -0.68 -1.08 116.57 118.31 1nue h LYS 49 Ca 0.10 -0.27 -0.03 0.00 -1.87 0.00 0.00 60.65 58.58 1nue h LYS 49 Cb 0.08 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 1nue h LYS 49 CO -0.01 0.85 0.01 1.96 -0.57 0.00 0.00 179.45 181.69 1nue h GLN 50 N 0.57 0.41 -0.40 3.15 1.08 -0.96 0.11 115.11 119.07 1nue h GLN 50 Ca 0.08 -0.12 0.01 0.00 -1.45 0.00 0.00 58.65 57.16 1nue h GLN 50 Cb 0.74 -0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 28.11 1nue h GLN 50 CO 0.06 0.58 0.25 1.25 -0.95 0.00 0.00 178.83 180.01 1nue h HIS 51 N 0.20 0.46 -0.80 2.96 2.76 -0.89 -2.90 115.15 116.94 1nue h HIS 51 Ca 0.07 0.01 -0.49 0.00 -2.20 0.00 0.00 60.37 57.76 1nue h HIS 51 Cb 0.38 -0.15 -0.27 0.00 1.55 0.00 0.00 27.41 28.92 1nue h HIS 51 CO 0.03 0.28 0.32 0.66 -1.30 0.00 0.00 177.93 177.92 1nue n TYR 52 N -4.84 2.57 0.29 5.26 4.01 -0.44 -4.73 117.16 119.28 1nue n TYR 52 Ca 0.01 -2.23 0.15 0.00 -0.16 0.00 0.00 57.90 55.67 1nue n TYR 52 Cb 0.05 -0.91 0.89 0.00 -0.31 0.00 0.00 39.34 39.06 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 1.17 0.53 0.00 -0.72 2.10 -0.56 -0.77 117.51 119.27 1nue h ILE 53 Ca 0.48 -0.10 0.00 0.00 1.08 0.00 0.00 64.86 66.33 1nue h ILE 53 Cb 1.70 1.06 0.00 0.00 -1.09 0.00 0.00 36.82 38.49 1nue h ILE 53 CO 1.03 0.02 0.00 -0.90 -1.08 0.00 0.00 178.15 177.22 1nue n ASP 54 N -3.80 0.53 -0.69 2.19 5.75 -1.26 -2.45 116.55 116.81 1nue n ASP 54 Ca -0.03 0.61 0.07 0.00 -0.01 0.00 0.00 54.79 55.43 1nue n ASP 54 Cb 0.11 -0.73 0.13 0.00 -1.03 0.00 0.00 41.12 39.60 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 -2.06 2.73 0.04 -2.12 4.77 -0.30 -4.73 117.00 115.32 1nue n LEU 55 Ca 0.03 -1.57 0.22 0.00 -0.03 0.00 0.00 56.01 54.65 1nue n LEU 55 Cb 0.25 -0.17 0.73 0.00 -2.33 0.00 0.00 43.42 41.90 1nue n LEU 55 CO 0.20 0.62 1.19 0.07 -1.33 0.00 0.00 177.39 178.15 1nue h LYS 56 N 2.60 0.00 -0.40 3.23 2.10 -1.50 0.56 116.57 123.15 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 0.70 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.03 1nue h LYS 56 CO 0.00 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.20 1nue n ASP 57 N -3.77 3.31 -4.80 7.07 8.00 -1.26 -4.89 116.55 120.21 1nue n ASP 57 Ca 0.10 -1.97 -0.35 0.00 0.71 0.00 0.00 54.79 53.27 1nue n ASP 57 Cb 0.71 -0.26 -0.07 0.00 -0.02 0.00 0.00 41.12 41.48 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 -1.48 4.40 0.24 -1.24 1.81 0.19 -4.97 118.95 117.89 1nue s ARG 58 Ca 0.39 1.18 -0.05 0.00 -1.72 0.00 0.00 55.73 55.53 1nue s ARG 58 Cb 0.22 -2.56 0.42 0.00 -0.45 0.00 0.00 34.95 32.59 1nue s ARG 58 CO 0.31 0.17 1.73 -1.35 -0.68 0.00 0.00 175.30 175.48 1nue h PRO 59 N 2.68 0.41 0.00 3.54 0.11 -1.92 -1.84 132.00 134.98 1nue h PRO 59 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1nue h PRO 59 Cb 1.19 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1nue h PRO 59 CO 0.64 0.27 0.00 1.97 -0.21 0.00 0.00 178.00 180.67 1nue n PHE 60 N -5.01 0.00 -0.05 0.65 1.16 -1.26 -4.26 117.46 108.69 1nue n PHE 60 Ca 0.13 0.00 -0.09 0.00 -1.87 0.00 0.00 57.45 55.62 1nue n PHE 60 Cb 0.39 -0.03 -0.03 0.00 -1.61 0.00 0.00 39.48 38.20 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 0.23 -0.91 2.97 3.57 -1.58 -1.02 116.94 120.19 1nue h PHE 61 Ca 0.00 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.51 1nue h PHE 61 Cb 0.03 -0.07 -0.04 0.00 2.79 0.00 0.00 35.95 38.66 1nue h PHE 61 CO 0.00 0.13 0.56 -1.35 -2.23 0.00 0.00 178.31 175.42 1nue h PRO 62 N 0.25 1.23 -0.07 6.41 0.11 -1.81 -1.40 132.00 136.74 1nue h PRO 62 Ca 0.09 -0.11 -0.10 0.00 0.11 0.00 0.00 66.00 65.99 1nue h PRO 62 Cb 0.00 -0.26 -0.01 0.00 0.11 0.00 0.00 31.00 30.84 1nue h PRO 62 CO -0.04 0.86 -0.43 0.78 -0.21 0.00 0.00 178.00 178.95 1nue h GLY 63 N 1.26 0.17 0.80 -0.55 0.00 -1.80 -0.97 103.07 101.97 1nue h GLY 63 Ca 0.33 -0.16 -0.01 0.00 0.00 0.00 0.00 47.33 47.49 1nue h GLY 63 CO -0.06 0.14 -0.12 -2.00 0.00 0.00 0.00 176.54 174.51 1nue h LEU 64 N 0.13 -0.27 -0.64 3.11 5.85 -0.22 -2.00 115.31 121.27 1nue h LEU 64 Ca 0.01 -0.14 0.02 0.00 0.84 0.00 0.00 57.88 58.62 1nue h LEU 64 Cb 0.82 0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.88 1nue h LEU 64 CO 0.06 -0.02 0.40 0.58 -0.34 0.00 0.00 178.44 179.12 1nue h VAL 65 N -0.53 1.09 -0.12 1.05 2.07 -1.20 -0.18 116.25 118.42 1nue h VAL 65 Ca -0.03 -0.27 0.02 0.00 0.82 0.00 0.00 66.70 67.23 1nue h VAL 65 Cb 0.40 0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 1nue h VAL 65 CO 0.05 0.14 0.01 0.11 0.02 0.00 0.00 177.57 177.91 1nue h LYS 66 N 0.79 0.06 -0.63 1.57 1.79 -1.10 -1.99 116.57 117.06 1nue h LYS 66 Ca 0.25 -0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 58.63 1nue h LYS 66 Cb 0.00 -0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 30.61 1nue h LYS 66 CO -0.10 0.04 0.05 -0.92 -1.08 0.00 0.00 179.45 177.45 1nue h TYR 67 N 0.06 1.15 0.00 -1.35 3.20 -1.09 -1.77 116.97 117.18 1nue h TYR 67 Ca 0.06 -0.18 -0.02 0.00 3.14 0.00 0.00 58.73 61.73 1nue h TYR 67 Cb 0.06 -0.31 -0.00 0.00 1.54 0.00 0.00 36.73 38.01 1nue h TYR 67 CO -0.13 0.99 -0.10 0.52 -1.64 0.00 0.00 178.16 177.81 1nue h MET 68 N 0.99 0.00 -0.00 1.82 2.86 -0.69 -0.71 114.93 119.20 1nue h MET 68 Ca 0.19 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.83 1nue h MET 68 Cb 0.50 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.16 1nue h MET 68 CO 0.02 0.10 -0.63 -1.71 1.06 0.00 0.00 176.91 175.75 1nue n ASN 69 N -3.58 0.83 0.00 1.22 2.85 -0.78 -4.28 115.26 111.53 1nue n ASN 69 Ca -0.02 -0.66 0.09 0.00 -0.11 0.00 0.00 54.58 53.89 1nue n ASN 69 Cb 0.22 0.49 0.42 0.00 1.24 0.00 0.00 39.78 42.15 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 -1.29 0.00 -3.26 1.20 3.41 -0.27 -4.83 113.62 108.57 1nue n SER 70 Ca 0.06 0.37 -0.07 0.00 -0.26 0.00 0.00 58.87 58.97 1nue n SER 70 Cb 0.34 -0.44 0.01 0.00 -0.26 0.00 0.00 64.21 63.86 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 -2.89 0.18 0.70 5.00 0.00 -1.26 -5.10 107.32 103.95 1nue s GLY 71 Ca 0.11 -0.50 -0.11 0.00 0.00 0.00 0.00 44.72 44.22 1nue s GLY 71 CO 0.32 0.30 1.06 2.56 0.00 0.00 0.00 173.10 177.35 1nue s PRO 72 N -2.67 2.90 0.04 2.90 0.04 -1.26 -4.59 135.00 132.36 1nue s PRO 72 Ca 0.16 0.93 0.06 0.00 0.04 0.00 0.00 61.00 62.18 1nue s PRO 72 Cb -0.04 -1.99 -0.02 0.00 0.04 0.00 0.00 34.50 32.48 1nue s PRO 72 CO 0.09 -1.12 -0.16 0.08 0.04 0.00 0.00 177.00 175.92 1nue s VAL 73 N -3.06 1.31 -0.42 -0.36 1.01 0.14 -3.74 120.40 115.28 1nue s VAL 73 Ca 0.58 -1.08 -0.12 0.00 0.00 0.00 0.00 61.98 61.36 1nue s VAL 73 Cb -0.14 -1.17 0.05 0.00 0.00 0.00 0.00 36.38 35.13 1nue s VAL 73 CO 0.55 0.07 0.29 -0.69 0.00 0.00 0.00 175.10 175.31 1nue s VAL 74 N -0.84 4.78 -0.11 2.92 1.01 -1.05 -1.69 120.40 125.42 1nue s VAL 74 Ca 0.04 -1.03 -0.16 0.00 0.00 0.00 0.00 61.98 60.83 1nue s VAL 74 Cb -0.08 -3.78 -0.05 0.00 0.00 0.00 0.00 36.38 32.47 1nue s VAL 74 CO 0.01 -0.41 0.39 0.00 0.00 0.00 0.00 175.10 175.09 1nue s ALA 75 N 1.56 3.57 0.04 5.51 0.00 -0.12 -0.90 121.76 131.42 1nue s ALA 75 Ca 0.03 -0.30 -0.04 0.00 0.00 0.00 0.00 51.96 51.66 1nue s ALA 75 Cb -0.22 -2.49 -0.02 0.00 0.00 0.00 0.00 23.12 20.40 1nue s ALA 75 CO 0.06 0.15 0.06 -1.64 0.00 0.00 0.00 175.76 174.39 1nue s MET 76 N 0.17 0.57 -0.10 0.00 -1.94 0.36 -1.53 119.30 116.84 1nue s MET 76 Ca 0.22 -0.85 0.02 0.00 -1.71 0.00 0.00 55.69 53.37 1nue s MET 76 Cb -0.15 0.22 0.01 0.00 2.01 0.00 0.00 34.83 36.92 1nue s MET 76 CO 0.09 -0.13 -0.17 0.08 -0.01 0.00 0.00 175.02 174.87 1nue s VAL 77 N -2.84 1.57 0.07 -6.03 1.01 -0.47 -1.03 120.40 112.68 1nue s VAL 77 Ca -0.03 -0.71 0.08 0.00 0.00 0.00 0.00 61.98 61.32 1nue s VAL 77 Cb 0.00 -1.41 -0.03 0.00 0.00 0.00 0.00 36.38 34.93 1nue s VAL 77 CO -0.06 0.45 -0.19 0.26 0.00 0.00 0.00 175.10 175.56 1nue s TRP 78 N 0.78 2.52 0.04 5.22 0.52 -0.80 -0.52 118.94 126.69 1nue s TRP 78 Ca -0.11 -0.28 0.08 0.00 0.02 0.00 0.00 56.10 55.81 1nue s TRP 78 Cb -0.16 -1.41 -0.03 0.00 -1.15 0.00 0.00 33.47 30.72 1nue s TRP 78 CO 0.02 0.28 -0.22 -2.00 0.02 0.00 0.00 176.95 175.05 1nue s GLU 79 N -1.64 1.51 0.00 4.98 2.12 0.45 -1.01 118.70 125.10 1nue s GLU 79 Ca 0.15 -0.98 0.00 0.00 0.36 0.00 0.00 54.97 54.50 1nue s GLU 79 Cb -0.10 -1.63 0.00 0.00 0.26 0.00 0.00 34.13 32.66 1nue s GLU 79 CO 0.06 0.42 0.00 0.41 -0.54 0.00 0.00 175.26 175.61 1nue n GLY 80 N 1.86 1.75 3.68 -1.50 0.00 0.07 -1.47 105.19 109.57 1nue n GLY 80 Ca -0.17 -0.95 -0.42 0.00 0.00 0.00 0.00 46.02 44.48 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 4.36 -1.58 0.99 2.96 -1.26 -2.26 118.68 121.89 1nue s LEU 81 Ca 0.00 2.44 -0.03 0.00 -0.22 0.00 0.00 54.13 56.33 1nue s LEU 81 Cb 0.00 -3.55 0.01 0.00 0.50 0.00 0.00 46.19 43.15 1nue s LEU 81 CO 0.00 -0.92 0.28 0.59 -1.32 0.00 0.00 176.35 174.98 1nue n ASN 82 N 6.30 -5.64 0.15 3.68 4.13 -1.26 -4.89 115.26 117.72 1nue n ASN 82 Ca 0.17 -0.13 0.03 0.00 1.68 0.00 0.00 54.58 56.32 1nue n ASN 82 Cb 0.41 -4.64 0.39 0.00 -1.54 0.00 0.00 39.78 34.40 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 -0.63 1.19 0.75 2.41 3.04 -1.74 -1.10 116.25 120.17 1nue h VAL 83 Ca -0.48 -0.90 -0.04 0.00 -1.01 0.00 0.00 66.70 64.27 1nue h VAL 83 Cb 1.35 1.35 0.01 0.00 -2.01 0.00 0.00 31.29 31.99 1nue h VAL 83 CO 0.55 0.27 -0.36 0.58 -1.01 0.00 0.00 177.57 177.60 1nue h VAL 84 N 0.14 0.13 -0.44 1.51 2.07 -1.86 0.28 116.25 118.08 1nue h VAL 84 Ca 0.03 -0.20 -0.04 0.00 0.82 0.00 0.00 66.70 67.31 1nue h VAL 84 Cb 0.45 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.36 1nue h VAL 84 CO 0.03 0.01 0.11 0.50 0.02 0.00 0.00 177.57 178.24 1nue h LYS 85 N -1.18 0.70 -0.46 1.57 1.63 -1.89 -2.51 116.57 114.43 1nue h LYS 85 Ca -0.10 -0.17 -0.07 0.00 -0.85 0.00 0.00 60.65 59.46 1nue h LYS 85 Cb 0.79 -0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 32.31 1nue h LYS 85 CO 0.17 0.70 -0.01 1.15 -3.45 0.00 0.00 179.45 178.01 1nue h THR 86 N 0.58 1.24 -0.94 1.00 2.02 -1.22 -1.56 112.91 114.03 1nue h THR 86 Ca 0.14 -1.01 -0.01 0.00 0.77 0.00 0.00 66.41 66.30 1nue h THR 86 Cb 0.31 0.90 -0.04 0.00 -1.74 0.00 0.00 68.15 67.58 1nue h THR 86 CO 0.00 0.36 0.55 1.23 0.37 0.00 0.00 175.52 178.03 1nue h GLY 87 N 0.97 1.36 0.97 2.16 0.00 -0.33 -0.62 103.07 107.58 1nue h GLY 87 Ca 0.14 -0.58 -0.01 0.00 0.00 0.00 0.00 47.33 46.88 1nue h GLY 87 CO 0.02 0.56 0.22 3.21 0.00 0.00 0.00 176.54 180.55 1nue h ARG 88 N 1.29 0.62 -0.62 4.80 2.47 -0.96 -1.81 114.38 120.17 1nue h ARG 88 Ca 0.33 -0.08 -0.01 0.00 -1.26 0.00 0.00 59.98 58.96 1nue h ARG 88 Cb -0.04 -0.12 -0.03 0.00 -1.65 0.00 0.00 29.97 28.13 1nue h ARG 88 CO -0.06 0.52 0.36 0.28 0.56 0.00 0.00 179.97 181.63 1nue h VAL 89 N 0.57 1.19 -0.25 2.04 2.07 -0.86 -2.42 116.25 118.59 1nue h VAL 89 Ca 0.15 -0.46 -0.05 0.00 0.82 0.00 0.00 66.70 67.17 1nue h VAL 89 Cb 0.09 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.21 1nue h VAL 89 CO -0.02 0.20 -0.04 0.24 0.02 0.00 0.00 177.57 177.97 1nue h MET 90 N 0.85 0.39 -0.23 1.57 2.86 -0.89 -3.00 114.93 116.48 1nue h MET 90 Ca 0.22 -0.08 -0.11 0.00 -2.06 0.00 0.00 59.70 57.67 1nue h MET 90 Cb 0.01 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 31.61 1nue h MET 90 CO -0.04 0.46 -0.30 -0.07 1.06 0.00 0.00 176.91 178.01 1nue h LEU 91 N 0.38 0.66 0.00 1.22 3.38 -1.05 -0.58 115.31 119.31 1nue h LEU 91 Ca 0.08 -0.51 0.00 0.00 0.09 0.00 0.00 57.88 57.54 1nue h LEU 91 Cb 0.32 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1nue h LEU 91 CO 0.01 1.03 0.00 0.61 0.09 0.00 0.00 178.44 180.19 1nue n GLY 92 N 0.27 -0.79 3.90 0.83 0.00 -0.94 -1.33 105.19 107.13 1nue n GLY 92 Ca -0.05 -2.15 -0.28 0.00 0.00 0.00 0.00 46.02 43.54 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 3.58 0.25 1.61 0.41 -1.26 -4.78 118.70 118.51 1nue s GLU 93 Ca 0.00 0.34 -0.05 0.00 -0.41 0.00 0.00 54.97 54.85 1nue s GLU 93 Cb 0.00 -2.32 0.47 0.00 -1.78 0.00 0.00 34.13 30.50 1nue s GLU 93 CO 0.00 -0.26 1.68 1.15 -0.49 0.00 0.00 175.26 177.34 1nue h THR 94 N 0.21 0.50 -3.49 3.63 2.02 -1.96 -3.35 112.91 110.47 1nue h THR 94 Ca -0.46 -0.09 -0.60 0.00 0.77 0.00 0.00 66.41 66.02 1nue h THR 94 Cb 1.20 0.22 -0.11 0.00 -1.74 0.00 0.00 68.15 67.71 1nue h THR 94 CO 0.62 0.05 0.05 0.21 0.37 0.00 0.00 175.52 176.82 1nue s ASN 95 N -5.24 6.56 0.47 4.18 3.84 -1.26 -4.73 114.94 118.77 1nue s ASN 95 Ca -0.13 0.68 0.17 0.00 0.21 0.00 0.00 52.86 53.79 1nue s ASN 95 Cb 0.21 -2.31 1.16 0.00 -0.55 0.00 0.00 41.25 39.76 1nue s ASN 95 CO 0.76 -0.28 2.02 -0.65 -2.79 0.00 0.00 177.10 176.16 1nue h PRO 96 N 7.71 0.23 -0.10 0.43 0.11 -1.78 -0.25 132.00 138.35 1nue h PRO 96 Ca -0.30 -0.01 0.03 0.00 0.11 0.00 0.00 66.00 65.82 1nue h PRO 96 Cb 1.14 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 1nue h PRO 96 CO 0.75 0.15 0.11 0.00 -0.21 0.00 0.00 178.00 178.80 1nue h ALA 97 N 1.76 1.69 -0.01 -0.75 0.00 -1.88 -0.69 119.26 119.38 1nue h ALA 97 Ca 0.21 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1nue h ALA 97 Cb 0.54 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1nue h ALA 97 CO -0.04 -0.16 -0.45 -0.25 0.00 0.00 0.00 179.25 178.35 1nue n ASP 98 N -3.85 1.72 -4.73 0.00 8.00 -0.11 -4.95 116.55 112.64 1nue n ASP 98 Ca -0.01 -1.33 -0.40 0.00 0.71 0.00 0.00 54.79 53.76 1nue n ASP 98 Cb 0.21 0.42 -0.04 0.00 -0.02 0.00 0.00 41.12 41.69 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 -2.52 7.15 0.43 -2.24 0.01 -0.27 -4.62 113.70 111.65 1nue s SER 99 Ca 0.19 1.38 -0.20 0.00 1.31 0.00 0.00 55.95 58.63 1nue s SER 99 Cb 0.18 -2.47 -0.11 0.00 0.21 0.00 0.00 66.02 63.84 1nue s SER 99 CO 0.58 -0.10 0.94 -0.54 0.41 0.00 0.00 173.24 174.53 1nue s LYS 100 N 0.54 4.20 0.36 12.44 -0.14 -1.26 -4.47 119.74 131.40 1nue s LYS 100 Ca 0.41 1.08 -0.28 0.00 -1.36 0.00 0.00 55.97 55.82 1nue s LYS 100 Cb -0.19 -2.19 -0.12 0.00 -1.68 0.00 0.00 37.83 33.65 1nue s LYS 100 CO 0.22 -0.04 1.40 -2.30 -0.76 0.00 0.00 175.35 173.87 1nue n PRO 101 N -0.69 2.42 0.00 -1.68 -0.02 -1.26 -1.99 135.00 131.77 1nue n PRO 101 Ca 0.07 0.85 0.00 0.00 -2.02 0.00 0.00 63.50 62.40 1nue n PRO 101 Cb 0.54 -2.51 0.00 0.00 -0.02 0.00 0.00 33.50 31.51 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 0.67 1.66 3.91 -1.23 0.00 -1.26 -4.98 105.19 103.95 1nue n GLY 102 Ca 0.03 -0.15 -0.28 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.58 3.82 0.08 2.61 -4.23 -0.84 -4.91 115.64 110.58 1nue s THR 103 Ca 0.00 0.19 -0.19 0.00 -1.18 0.00 0.00 61.69 60.51 1nue s THR 103 Cb 0.00 -3.53 -0.10 0.00 1.34 0.00 0.00 72.50 70.21 1nue s THR 103 CO 0.00 -0.59 1.52 0.40 -0.54 0.00 0.00 174.62 175.41 1nue h ILE 104 N -0.25 1.25 -0.15 2.99 2.04 -1.12 -0.41 117.51 121.86 1nue h ILE 104 Ca -0.45 -0.84 -0.14 0.00 1.00 0.00 0.00 64.86 64.43 1nue h ILE 104 Cb 1.25 1.38 -0.01 0.00 -0.74 0.00 0.00 36.82 38.70 1nue h ILE 104 CO 0.62 0.26 -0.51 0.03 0.00 0.00 0.00 178.15 178.54 1nue h ARG 105 N 0.14 0.40 -0.15 2.37 3.08 -1.46 -1.40 114.38 117.36 1nue h ARG 105 Ca 0.06 -0.24 -0.08 0.00 0.07 0.00 0.00 59.98 59.79 1nue h ARG 105 Cb 0.37 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.43 1nue h ARG 105 CO 0.01 0.82 -0.28 0.78 -1.07 0.00 0.00 179.97 180.23 1nue h GLY 106 N 1.22 0.30 1.11 0.04 0.00 -1.68 -2.60 103.07 101.45 1nue h GLY 106 Ca 0.01 -0.24 -0.29 0.00 0.00 0.00 0.00 47.33 46.81 1nue h GLY 106 CO 0.09 0.22 -1.62 -0.55 0.00 0.00 0.00 176.54 174.67 1nue h ASP 107 N 0.25 0.13 -0.01 0.19 3.32 -0.90 -3.43 116.42 115.97 1nue h ASP 107 Ca 0.04 -0.23 0.00 0.00 0.02 0.00 0.00 57.03 56.86 1nue h ASP 107 Cb 0.63 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.14 1nue h ASP 107 CO 0.05 1.20 -0.15 0.49 -1.72 0.00 0.00 179.24 179.10 1nue n PHE 108 N -3.22 0.00 -4.06 4.55 3.72 -0.54 -5.08 117.46 112.83 1nue n PHE 108 Ca -0.17 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.12 1nue n PHE 108 Cb 1.03 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 39.52 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 -0.41 0.01 -4.49 0.00 5.41 -1.26 -4.76 119.36 113.87 1nue n ILE 110 Ca -0.00 -0.00 -0.31 0.00 1.00 0.00 0.00 62.75 63.43 1nue n ILE 110 Cb 0.63 -0.70 -0.11 0.00 -0.71 0.00 0.00 39.64 38.74 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 -2.00 2.36 0.57 0.38 0.74 -1.26 -4.03 119.66 116.42 1nue s GLN 111 Ca -0.00 -0.83 0.25 0.00 0.05 0.00 0.00 55.36 54.83 1nue s GLN 111 Cb 0.00 -2.39 1.61 0.00 1.10 0.00 0.00 33.01 33.33 1nue s GLN 111 CO 0.01 0.57 2.18 -0.24 -0.55 0.00 0.00 175.29 177.25 1nue h VAL 112 N 3.74 0.66 0.00 1.34 3.04 -1.95 -1.42 116.25 121.65 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 1.16 0.95 0.00 0.00 -2.01 0.00 0.00 31.29 31.39 1nue h VAL 112 CO 0.52 0.00 -0.11 0.61 -1.01 0.00 0.00 177.57 177.58 1nue n GLY 113 N -1.42 -1.46 2.27 3.17 0.00 -1.26 -3.90 105.19 102.59 1nue n GLY 113 Ca -0.01 -0.15 -0.25 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.56 0.98 -1.30 1.61 5.12 -0.54 -4.98 116.66 115.99 1nue n ARG 114 Ca 0.07 -3.49 -0.19 0.00 -1.93 0.00 0.00 57.85 52.31 1nue n ARG 114 Cb 0.35 -1.46 0.12 0.00 -1.16 0.00 0.00 32.46 30.30 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 1.50 4.50 0.00 0.55 6.94 -1.21 -4.32 115.26 123.21 1nue n ASN 115 Ca 0.23 -3.77 0.00 0.00 -0.02 0.00 0.00 54.58 51.03 1nue n ASN 115 Cb 0.50 -0.66 0.00 0.00 -2.36 0.00 0.00 39.78 37.26 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 -4.78 119.36 104.84 1nue n ILE 116 Ca 0.46 0.00 -0.12 0.00 -0.27 0.00 0.00 62.75 62.82 1nue n ILE 116 Cb 0.99 0.00 -0.06 0.00 -1.74 0.00 0.00 39.64 38.83 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 0.07 0.05 7.28 2.07 -1.26 0.04 121.20 129.44 1nue s ILE 117 Ca 0.00 -0.59 0.06 0.00 -1.41 0.00 0.00 60.65 58.71 1nue s ILE 117 Cb 0.00 -1.03 -0.02 0.00 0.13 0.00 0.00 42.46 41.53 1nue s ILE 117 CO 0.00 -0.32 -0.17 -2.28 -1.91 0.00 0.00 174.94 170.25 1nue s HIS 118 N -2.94 1.51 -0.11 3.50 5.65 0.35 -4.86 115.29 118.40 1nue s HIS 118 Ca -0.02 -0.37 -0.08 0.00 0.25 0.00 0.00 55.06 54.84 1nue s HIS 118 Cb 0.00 -0.89 0.03 0.00 -1.18 0.00 0.00 32.58 30.54 1nue s HIS 118 CO -0.06 0.07 0.27 0.20 -0.65 0.00 0.00 174.74 174.58 1nue s GLY 119 N -1.21 -0.20 0.42 1.59 0.00 -1.26 -1.43 107.32 105.23 1nue s GLY 119 Ca 0.04 0.88 -0.25 0.00 0.00 0.00 0.00 44.72 45.40 1nue s GLY 119 CO 0.02 0.89 1.07 1.44 0.00 0.00 0.00 173.10 176.51 1nue n SER 120 N 3.36 1.55 -0.45 1.64 7.64 -0.85 -4.94 113.62 121.57 1nue n SER 120 Ca -0.17 1.05 0.11 0.00 1.01 0.00 0.00 58.87 60.88 1nue n SER 120 Cb 0.57 -1.38 0.04 0.00 -1.01 0.00 0.00 64.21 62.42 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 0.45 1.88 -3.65 6.43 5.75 -1.26 -4.77 116.55 121.38 1nue n ASP 121 Ca 0.09 -1.43 -0.10 0.00 -0.01 0.00 0.00 54.79 53.34 1nue n ASP 121 Cb 0.39 0.46 -0.02 0.00 -1.03 0.00 0.00 41.12 40.91 1nue n ASP 121 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1nue s SER 122 N -2.50 -0.39 0.18 -1.12 1.04 -1.26 -4.95 113.70 104.71 1nue s SER 122 Ca 0.19 -0.33 -0.11 0.00 0.48 0.00 0.00 55.95 56.18 1nue s SER 122 Cb 0.18 0.64 0.10 0.00 0.10 0.00 0.00 66.02 67.05 1nue s SER 122 CO 0.58 -1.13 1.76 0.58 0.98 0.00 0.00 173.24 176.01 1nue h VAL 123 N 2.04 1.23 -0.55 5.02 2.07 -1.95 -1.06 116.25 123.06 1nue h VAL 123 Ca -0.27 -0.68 0.02 0.00 0.82 0.00 0.00 66.70 66.58 1nue h VAL 123 Cb 1.28 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 31.48 1nue h VAL 123 CO 0.32 0.28 0.34 0.50 0.02 0.00 0.00 177.57 179.03 1nue h LYS 124 N 0.91 0.66 -0.71 1.57 3.64 -1.99 -1.99 116.57 118.66 1nue h LYS 124 Ca 0.22 -0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.49 1nue h LYS 124 Cb 0.16 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 31.80 1nue h LYS 124 CO -0.02 0.44 0.18 0.77 -2.27 0.00 0.00 179.45 178.54 1nue h SER 125 N 0.68 1.08 -0.40 4.20 0.02 -1.86 -2.83 113.55 114.43 1nue h SER 125 Ca 0.22 -0.23 0.04 0.00 -0.84 0.00 0.00 61.79 60.98 1nue h SER 125 Cb -0.01 -0.28 -0.04 0.00 0.14 0.00 0.00 62.40 62.21 1nue h SER 125 CO -0.08 1.03 0.16 0.00 -1.14 0.00 0.00 176.83 176.79 1nue h ALA 126 N 1.09 0.48 -0.34 3.77 0.00 -0.69 0.09 119.26 123.65 1nue h ALA 126 Ca 0.22 0.04 -0.09 0.00 0.00 0.00 0.00 54.91 55.08 1nue h ALA 126 Cb 0.37 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1nue h ALA 126 CO 0.00 -0.22 -0.17 0.93 0.00 0.00 0.00 179.25 179.79 1nue h GLU 127 N 0.33 0.61 -0.16 0.00 4.39 -1.29 -1.13 114.58 117.33 1nue h GLU 127 Ca 0.18 -0.21 -0.06 0.00 0.34 0.00 0.00 59.36 59.61 1nue h GLU 127 Cb 0.14 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 28.74 1nue h GLU 127 CO -0.17 0.75 -0.12 -0.22 -1.16 0.00 0.00 179.01 178.10 1nue h LYS 128 N 0.55 0.36 -0.62 2.33 3.64 -1.25 -2.76 116.57 118.82 1nue h LYS 128 Ca 0.09 -0.18 -0.08 0.00 -1.27 0.00 0.00 60.65 59.22 1nue h LYS 128 Cb 0.61 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.40 1nue h LYS 128 CO 0.04 0.72 0.09 0.93 -2.27 0.00 0.00 179.45 178.96 1nue h GLU 129 N 0.00 1.02 -0.42 1.90 5.08 -0.87 -1.57 114.58 119.72 1nue h GLU 129 Ca 0.03 -0.27 -0.01 0.00 -1.00 0.00 0.00 59.36 58.11 1nue h GLU 129 Cb 0.63 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 1nue h GLU 129 CO 0.03 0.95 0.22 0.82 -1.00 0.00 0.00 179.01 180.03 1nue h ILE 130 N 0.96 1.16 -0.37 3.13 2.04 -1.25 -1.18 117.51 122.01 1nue h ILE 130 Ca 0.19 -0.44 -0.04 0.00 1.00 0.00 0.00 64.86 65.56 1nue h ILE 130 Cb 0.43 0.69 -0.02 0.00 -0.74 0.00 0.00 36.82 37.18 1nue h ILE 130 CO 0.01 0.17 0.05 0.28 0.00 0.00 0.00 178.15 178.66 1nue h SER 131 N 0.54 0.52 -0.34 1.72 0.02 -1.28 -0.51 113.55 114.23 1nue h SER 131 Ca 0.15 -0.09 -0.13 0.00 -0.84 0.00 0.00 61.79 60.88 1nue h SER 131 Cb 0.08 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.48 1nue h SER 131 CO -0.02 0.56 -0.31 0.25 -1.14 0.00 0.00 176.83 176.17 1nue h LEU 132 N 0.55 0.86 0.00 5.07 5.85 -0.78 -3.36 115.31 123.50 1nue h LEU 132 Ca 0.12 -0.46 -0.22 0.00 0.84 0.00 0.00 57.88 58.17 1nue h LEU 132 Cb 0.28 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.03 1nue h LEU 132 CO 0.00 1.14 -1.55 0.79 -0.34 0.00 0.00 178.44 178.48 1nue n TRP 133 N -4.18 0.95 -4.27 1.25 7.02 -0.49 -4.98 117.44 112.73 1nue n TRP 133 Ca -0.03 0.33 -0.18 0.00 -1.02 0.00 0.00 57.50 56.60 1nue n TRP 133 Cb 0.49 -1.12 -0.11 0.00 -2.42 0.00 0.00 31.31 28.16 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 -2.80 1.48 0.18 -5.99 0.08 -0.22 -5.10 117.98 105.61 1nue s PHE 134 Ca -0.04 -0.59 -0.05 0.00 0.12 0.00 0.00 56.93 56.38 1nue s PHE 134 Cb 0.08 -0.74 -0.05 0.00 -0.57 0.00 0.00 43.02 41.73 1nue s PHE 134 CO 0.82 0.20 0.41 0.15 -0.10 0.00 0.00 175.22 176.70 1nue s LYS 135 N -3.10 3.62 0.41 0.44 1.02 -1.26 -4.53 119.74 116.33 1nue s LYS 135 Ca 0.14 -0.09 0.15 0.00 0.02 0.00 0.00 55.97 56.20 1nue s LYS 135 Cb -0.03 -2.80 1.03 0.00 -0.52 0.00 0.00 37.83 35.51 1nue s LYS 135 CO 0.04 0.41 1.87 -1.35 -0.92 0.00 0.00 175.35 175.40 1nue h PRO 136 N 2.53 0.45 0.00 -1.68 0.11 -1.96 0.13 132.00 131.57 1nue h PRO 136 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1nue h PRO 136 Cb 1.17 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1nue h PRO 136 CO 0.71 0.29 0.00 -0.85 -0.21 0.00 0.00 178.00 177.94 1nue n GLU 137 N -4.51 0.21 0.07 1.05 0.00 -1.26 -2.64 120.64 113.56 1nue n GLU 137 Ca 0.18 0.09 0.12 0.00 0.00 0.00 0.00 57.16 57.55 1nue n GLU 137 Cb 0.61 -1.50 0.24 0.00 0.00 0.00 0.00 31.44 30.80 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 -1.36 0.27 -2.93 3.44 1.02 0.44 -4.78 120.64 116.74 1nue n GLU 138 Ca 0.09 0.12 -0.42 0.00 -0.02 0.00 0.00 57.16 56.93 1nue n GLU 138 Cb 0.21 -1.71 -0.05 0.00 -0.02 0.00 0.00 31.44 29.87 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 -4.25 4.08 -0.18 -4.62 1.43 -1.08 -4.62 118.68 109.44 1nue s LEU 139 Ca 0.08 0.92 -0.15 0.00 -1.03 0.00 0.00 54.13 53.95 1nue s LEU 139 Cb 0.13 -3.12 -0.04 0.00 0.03 0.00 0.00 46.19 43.19 1nue s LEU 139 CO 0.68 -0.51 0.35 -0.69 0.23 0.00 0.00 176.35 176.41 1nue s VAL 140 N 2.81 5.25 -0.19 -1.59 1.01 0.40 -5.03 120.40 123.07 1nue s VAL 140 Ca 0.33 0.63 -0.05 0.00 0.00 0.00 0.00 61.98 62.89 1nue s VAL 140 Cb -0.15 -3.68 -0.02 0.00 0.00 0.00 0.00 36.38 32.52 1nue s VAL 140 CO 0.08 0.32 -0.01 -1.81 0.00 0.00 0.00 175.10 173.68 1nue s ASP 141 N 0.78 4.82 0.24 3.32 1.01 -1.26 -4.71 116.67 120.88 1nue s ASP 141 Ca 0.18 -0.18 -0.16 0.00 0.71 0.00 0.00 52.55 53.09 1nue s ASP 141 Cb -0.14 -1.81 0.01 0.00 1.01 0.00 0.00 42.92 41.99 1nue s ASP 141 CO 0.06 0.09 0.56 -0.72 0.21 0.00 0.00 175.17 175.37 1nue s TYR 142 N 0.85 0.08 -0.05 4.23 1.13 -1.26 -5.16 117.35 117.16 1nue s TYR 142 Ca 0.00 -0.47 0.05 0.00 -1.41 0.00 0.00 57.07 55.25 1nue s TYR 142 Cb -0.14 0.39 -0.02 0.00 -1.10 0.00 0.00 41.96 41.09 1nue s TYR 142 CO 0.02 -1.04 -0.21 0.21 -2.51 0.00 0.00 175.55 172.02 1nue s LYS 143 N -3.95 2.47 0.29 -3.49 2.20 -1.26 -5.09 119.74 110.90 1nue s LYS 143 Ca 0.16 -0.83 -0.29 0.00 -0.36 0.00 0.00 55.97 54.65 1nue s LYS 143 Cb -0.02 -2.24 -0.10 0.00 -1.51 0.00 0.00 37.83 33.97 1nue s LYS 143 CO 0.05 0.50 1.15 -1.12 -0.36 0.00 0.00 175.35 175.58 1nue s SER 144 N -0.44 7.15 0.53 1.43 0.01 -1.26 -4.93 113.70 116.18 1nue s SER 144 Ca 0.05 2.36 0.29 0.00 1.31 0.00 0.00 55.95 59.96 1nue s SER 144 Cb -0.12 -2.63 1.46 0.00 0.21 0.00 0.00 66.02 64.94 1nue s SER 144 CO 0.01 -0.24 2.07 0.00 0.41 0.00 0.00 173.24 175.49 1nue n ALA 146 N -2.25 2.46 -0.28 0.00 0.00 -1.26 -4.54 120.51 114.63 1nue n ALA 146 Ca -0.02 -0.80 0.09 0.00 0.00 0.00 0.00 53.44 52.71 1nue n ALA 146 Cb 0.25 -0.98 0.22 0.00 0.00 0.00 0.00 19.45 18.94 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 3.26 0.07 0.00 0.00 6.17 -1.82 0.48 115.15 123.32 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 0.10 0.00 0.00 2.52 0.00 0.00 27.41 30.75 1nue h HIS 147 CO 0.22 -0.26 0.00 -0.25 0.71 0.00 0.00 177.93 178.36 1nue n ASP 148 N -5.33 0.00 -0.00 3.26 8.00 -1.26 -1.00 116.55 120.22 1nue n ASP 148 Ca 0.17 0.24 0.10 0.00 0.71 0.00 0.00 54.79 56.01 1nue n ASP 148 Cb 0.58 -0.40 -0.12 0.00 -0.02 0.00 0.00 41.12 41.16 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 -1.40 0.00 -0.09 1.24 7.02 0.16 -4.30 117.44 120.08 1nue n TRP 149 Ca 0.08 0.00 -0.07 0.00 -1.02 0.00 0.00 57.50 56.49 1nue n TRP 149 Cb 0.22 -0.05 -0.15 0.00 -2.42 0.00 0.00 31.31 28.90 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 -1.56 1.18 -4.37 -0.99 0.31 -0.71 -5.00 118.33 107.19 1nue n VAL 150 Ca 0.03 -0.78 -0.22 0.00 -0.01 0.00 0.00 64.34 63.36 1nue n VAL 150 Cb 0.34 -0.43 -0.13 0.00 -0.91 0.00 0.00 33.84 32.71 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 -2.58 1.53 -2.00 3.52 2.02 -0.17 -5.10 117.35 114.57 1nue s TYR 151 Ca -0.09 -0.40 0.19 0.00 -0.37 0.00 0.00 57.07 56.40 1nue s TYR 151 Cb 0.07 -0.88 1.12 0.00 -0.40 0.00 0.00 41.96 41.87 1nue s TYR 151 CO 0.80 0.10 1.52 0.39 -1.57 0.00 0.00 175.55 176.79