#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xbs n SER 2 N 0.00 0.86 -4.21 6.12 7.64 -1.26 -5.02 113.62 117.75 1xbs n SER 2 Ca 0.00 0.89 -0.27 0.00 1.01 0.00 0.00 58.87 60.49 1xbs n SER 2 Cb 0.00 -1.36 -0.16 0.00 -1.01 0.00 0.00 64.21 61.68 1xbs n SER 2 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 1xbs s PHE 3 N -1.44 1.88 -0.41 1.43 2.19 -1.26 -5.10 117.98 115.26 1xbs s PHE 3 Ca 0.70 -0.41 -0.19 0.00 0.33 0.00 0.00 56.93 57.36 1xbs s PHE 3 Cb -0.47 -1.23 0.02 0.00 -1.31 0.00 0.00 43.02 40.04 1xbs s PHE 3 CO 0.51 -0.08 0.52 -0.51 1.83 0.00 0.00 175.22 177.50 1xbs s LEU 4 N -0.35 4.63 0.26 6.12 1.02 -1.26 -4.82 118.68 124.27 1xbs s LEU 4 Ca 0.05 -0.43 -0.31 0.00 0.02 0.00 0.00 54.13 53.46 1xbs s LEU 4 Cb -0.09 -2.54 -0.11 0.00 0.02 0.00 0.00 46.19 43.46 1xbs s LEU 4 CO 0.00 -0.63 1.61 -0.76 0.02 0.00 0.00 176.35 176.59 1xbs s LEU 5 N 2.42 4.36 1.21 1.79 1.43 -1.26 -4.97 118.68 123.66 1xbs s LEU 5 Ca 0.17 2.88 -0.15 0.00 -1.03 0.00 0.00 54.13 56.00 1xbs s LEU 5 Cb -0.16 -3.62 0.27 0.00 0.03 0.00 0.00 46.19 42.71 1xbs s LEU 5 CO 0.15 -0.90 0.75 -2.65 0.23 0.00 0.00 176.35 173.93 1xbs n PRO 6 N 2.75 -2.65 -3.93 1.29 -0.02 -1.25 -4.79 135.00 126.40 1xbs n PRO 6 Ca 0.10 -0.75 -0.16 0.00 -2.02 0.00 0.00 63.50 60.67 1xbs n PRO 6 Cb 0.37 -2.01 -0.16 0.00 -0.02 0.00 0.00 33.50 31.68 1xbs n PRO 6 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1xbs s LYS 7 N -4.20 0.23 -0.17 -0.52 1.02 -1.26 -1.99 119.74 112.85 1xbs s LYS 7 Ca 0.65 0.05 -0.08 0.00 0.02 0.00 0.00 55.97 56.61 1xbs s LYS 7 Cb -0.21 -0.38 -0.04 0.00 -0.52 0.00 0.00 37.83 36.68 1xbs s LYS 7 CO 0.65 -0.09 0.11 -0.51 -0.92 0.00 0.00 175.35 174.58 1xbs s LEU 8 N 0.75 4.12 -0.01 3.17 1.43 -0.30 -4.92 118.68 122.92 1xbs s LEU 8 Ca -0.07 0.24 0.12 0.00 -1.03 0.00 0.00 54.13 53.39 1xbs s LEU 8 Cb -0.10 -2.04 -0.18 0.00 0.03 0.00 0.00 46.19 43.89 1xbs s LEU 8 CO -0.01 0.24 0.29 0.35 0.23 0.00 0.00 176.35 177.44 1xbs n THR 9 N 3.13 0.00 -4.16 5.49 -2.24 -1.26 -4.24 114.28 111.00 1xbs n THR 9 Ca -0.17 -0.27 -0.10 0.00 -2.27 0.00 0.00 64.05 61.24 1xbs n THR 9 Cb 0.53 0.30 -0.10 0.00 -2.10 0.00 0.00 70.33 68.96 1xbs n THR 9 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1xbs s SER 10 N -3.27 0.44 0.23 3.42 1.04 -1.26 -4.63 113.70 109.67 1xbs s SER 10 Ca -0.04 -1.20 -0.09 0.00 0.48 0.00 0.00 55.95 55.10 1xbs s SER 10 Cb 0.08 0.27 0.35 0.00 0.10 0.00 0.00 66.02 66.82 1xbs s SER 10 CO 0.50 -0.71 1.64 0.50 0.98 0.00 0.00 173.24 176.16 1xbs h LYS 11 N 2.84 0.09 -0.08 4.02 3.11 -1.93 -0.38 116.57 124.24 1xbs h LYS 11 Ca -0.35 -0.01 0.03 0.00 -2.81 0.00 0.00 60.65 57.52 1xbs h LYS 11 Cb 1.20 -0.02 -0.04 0.00 -1.00 0.00 0.00 32.23 32.37 1xbs h LYS 11 CO 0.60 0.06 -0.15 -0.22 -2.81 0.00 0.00 179.45 176.93 1xbs h LYS 12 N 0.09 -0.20 -0.76 1.90 3.64 -1.99 -0.01 116.57 119.25 1xbs h LYS 12 Ca 0.36 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.77 1xbs h LYS 12 Cb 0.61 0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.43 1xbs h LYS 12 CO -0.61 -0.13 0.50 0.93 -2.27 0.00 0.00 179.45 177.87 1xbs h GLU 13 N -0.20 0.97 -0.29 1.90 5.08 -1.54 -1.29 114.58 119.21 1xbs h GLU 13 Ca 0.07 -0.06 -0.13 0.00 -1.00 0.00 0.00 59.36 58.25 1xbs h GLU 13 Cb 0.31 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 1xbs h GLU 13 CO -0.20 0.64 -0.34 0.28 -1.00 0.00 0.00 179.01 178.40 1xbs h VAL 14 N 1.00 1.29 -0.47 3.13 2.07 -0.50 -2.04 116.25 120.73 1xbs h VAL 14 Ca 0.29 -1.47 -0.02 0.00 0.82 0.00 0.00 66.70 66.32 1xbs h VAL 14 Cb -0.07 1.43 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 1xbs h VAL 14 CO -0.07 0.47 0.23 0.44 0.02 0.00 0.00 177.57 178.66 1xbs h ASP 15 N 0.54 0.61 -0.37 0.57 3.32 -0.13 -2.53 116.42 118.43 1xbs h ASP 15 Ca 0.06 -0.13 -0.00 0.00 0.02 0.00 0.00 57.03 56.98 1xbs h ASP 15 Cb 0.84 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 40.21 1xbs h ASP 15 CO 0.07 0.57 0.22 1.56 -1.72 0.00 0.00 179.24 179.94 1xbs h GLN 16 N 0.61 0.50 -0.78 3.56 1.08 -1.11 -1.80 115.11 117.17 1xbs h GLN 16 Ca 0.16 -0.04 0.01 0.00 -1.45 0.00 0.00 58.65 57.33 1xbs h GLN 16 Cb 0.12 -0.10 -0.04 0.00 -0.05 0.00 0.00 27.48 27.40 1xbs h GLN 16 CO -0.02 0.37 0.51 0.00 -0.95 0.00 0.00 178.83 178.74 1xbs h ALA 17 N 1.10 1.47 -0.40 3.87 0.00 -1.26 1.00 119.26 125.03 1xbs h ALA 17 Ca 0.13 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.87 1xbs h ALA 17 Cb -0.00 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 1xbs h ALA 17 CO -0.02 0.49 -0.25 0.82 0.00 0.00 0.00 179.25 180.28 1xbs h ILE 18 N 1.03 1.27 0.00 0.00 2.04 -1.05 -2.16 117.51 118.64 1xbs h ILE 18 Ca 0.29 -1.39 -0.01 0.00 1.00 0.00 0.00 64.86 64.75 1xbs h ILE 18 Cb -0.08 1.24 -0.00 0.00 -0.74 0.00 0.00 36.82 37.23 1xbs h ILE 18 CO -0.07 0.47 -0.07 0.11 0.00 0.00 0.00 178.15 178.58 1xbs h LYS 19 N 0.71 0.00 -0.19 2.37 1.57 -0.71 -3.29 116.57 117.03 1xbs h LYS 19 Ca 0.09 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.89 1xbs h LYS 19 Cb 0.79 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.06 1xbs h LYS 19 CO 0.07 0.36 -0.27 1.03 -0.57 0.00 0.00 179.45 180.07 1xbs h SER 20 N -1.00 -0.91 -1.80 0.86 0.87 0.92 -3.42 113.55 109.06 1xbs h SER 20 Ca -0.01 0.12 -0.66 0.00 -1.23 0.00 0.00 61.79 60.01 1xbs h SER 20 Cb 0.40 0.37 0.05 0.00 -0.44 0.00 0.00 62.40 62.79 1xbs h SER 20 CO -0.01 -0.20 0.55 0.41 -0.53 0.00 0.00 176.83 177.05 1xbs n THR 21 N -4.01 0.02 -3.81 2.23 -1.04 -0.81 -4.98 114.28 101.88 1xbs n THR 21 Ca -0.02 -0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 61.86 1xbs n THR 21 Cb 0.17 -1.00 -0.12 0.00 -1.82 0.00 0.00 70.33 67.56 1xbs n THR 21 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1xbs s ALA 22 N 0.72 -0.48 0.00 2.41 0.00 -1.26 -4.39 121.76 118.76 1xbs s ALA 22 Ca 0.84 0.54 0.00 0.00 0.00 0.00 0.00 51.96 53.34 1xbs s ALA 22 Cb -0.90 -0.31 0.00 0.00 0.00 0.00 0.00 23.12 21.91 1xbs s ALA 22 CO 0.46 -0.09 0.00 0.39 0.00 0.00 0.00 175.76 176.51 1xbs n GLU 23 N 2.96 0.00 -4.43 0.00 -0.58 -1.26 -4.97 120.64 112.36 1xbs n GLU 23 Ca -0.13 0.00 -0.24 0.00 -0.42 0.00 0.00 57.16 56.38 1xbs n GLU 23 Cb 0.59 -2.57 -0.10 0.00 -0.57 0.00 0.00 31.44 28.78 1xbs n GLU 23 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 1xbs s LYS 24 N -0.11 1.57 -0.12 3.49 1.02 -1.26 -4.94 119.74 119.39 1xbs s LYS 24 Ca 0.00 -1.67 -0.30 0.00 0.02 0.00 0.00 55.97 54.03 1xbs s LYS 24 Cb 0.00 -1.67 -0.01 0.00 -0.52 0.00 0.00 37.83 35.62 1xbs s LYS 24 CO 0.00 0.32 1.06 0.14 -0.92 0.00 0.00 175.35 175.95 1xbs s VAL 25 N -2.35 4.65 -0.13 3.17 -7.23 -0.28 -4.39 120.40 113.84 1xbs s VAL 25 Ca 0.26 1.94 -0.28 0.00 -1.81 0.00 0.00 61.98 62.09 1xbs s VAL 25 Cb -0.05 -4.25 -0.01 0.00 0.56 0.00 0.00 36.38 32.63 1xbs s VAL 25 CO 0.12 -0.03 0.95 -0.22 -0.31 0.00 0.00 175.10 175.61 1xbs s LEU 26 N 2.28 4.21 -0.33 1.32 2.96 0.17 -1.63 118.68 127.66 1xbs s LEU 26 Ca 0.49 1.40 -0.07 0.00 -0.22 0.00 0.00 54.13 55.74 1xbs s LEU 26 Cb -0.19 -3.45 0.03 0.00 0.50 0.00 0.00 46.19 43.08 1xbs s LEU 26 CO 0.17 -0.44 0.11 -0.69 -1.32 0.00 0.00 176.35 174.17 1xbs s VAL 27 N 2.13 3.90 -0.35 1.68 1.01 -0.12 -1.27 120.40 127.37 1xbs s VAL 27 Ca 0.45 -0.99 -0.06 0.00 0.00 0.00 0.00 61.98 61.38 1xbs s VAL 27 Cb -0.17 -3.15 0.05 0.00 0.00 0.00 0.00 36.38 33.11 1xbs s VAL 27 CO 0.15 -0.11 0.13 -0.76 0.00 0.00 0.00 175.10 174.50 1xbs s LEU 28 N 1.44 4.50 -0.52 3.92 1.02 -0.45 -1.43 118.68 127.17 1xbs s LEU 28 Ca -0.00 -1.32 -0.20 0.00 0.02 0.00 0.00 54.13 52.63 1xbs s LEU 28 Cb -0.19 -1.86 0.06 0.00 0.02 0.00 0.00 46.19 44.22 1xbs s LEU 28 CO 0.03 -0.38 0.68 -0.60 0.02 0.00 0.00 176.35 176.10 1xbs s ARG 29 N 1.36 3.15 -0.31 1.70 3.00 -0.90 -1.20 118.95 125.75 1xbs s ARG 29 Ca -0.00 -0.81 -0.22 0.00 -1.00 0.00 0.00 55.73 53.70 1xbs s ARG 29 Cb -0.20 -4.10 -0.00 0.00 0.00 0.00 0.00 34.95 30.65 1xbs s ARG 29 CO 0.01 -1.28 0.72 -0.06 0.00 0.00 0.00 175.30 174.70 1xbs s PHE 30 N 2.85 3.20 0.00 5.12 0.40 0.94 -0.74 117.98 129.75 1xbs s PHE 30 Ca 0.17 0.69 0.00 0.00 -0.60 0.00 0.00 56.93 57.19 1xbs s PHE 30 Cb -0.18 -3.14 0.00 0.00 0.51 0.00 0.00 43.02 40.20 1xbs s PHE 30 CO 0.13 -0.55 0.00 0.41 0.70 0.00 0.00 175.22 175.91 1xbs n GLY 31 N 4.33 2.17 3.31 4.36 0.00 0.10 -1.47 105.19 117.99 1xbs n GLY 31 Ca 0.02 0.05 -0.09 0.00 0.00 0.00 0.00 46.02 46.00 1xbs n GLY 31 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xbs s ARG 32 N 4.61 0.38 0.31 1.61 0.52 -1.26 -1.13 118.95 123.98 1xbs s ARG 32 Ca 0.00 1.00 0.08 0.00 -0.52 0.00 0.00 55.73 56.28 1xbs s ARG 32 Cb 0.00 0.24 0.84 0.00 0.52 0.00 0.00 34.95 36.55 1xbs s ARG 32 CO 0.00 -0.21 1.71 -0.44 0.02 0.00 0.00 175.30 176.38 1xbs h ASP 33 N 7.75 0.54 -0.37 0.23 3.32 -1.97 -2.22 116.42 123.70 1xbs h ASP 33 Ca -0.23 0.15 -0.03 0.00 0.02 0.00 0.00 57.03 56.93 1xbs h ASP 33 Cb 1.14 0.08 -0.02 0.00 0.22 0.00 0.00 39.33 40.75 1xbs h ASP 33 CO 0.18 0.05 0.12 1.05 -1.72 0.00 0.00 179.24 178.92 1xbs h GLU 34 N 0.50 0.57 -6.20 3.56 9.09 -1.98 -3.40 114.58 116.72 1xbs h GLU 34 Ca 0.62 -0.12 -0.71 0.00 0.05 0.00 0.00 59.36 59.20 1xbs h GLU 34 Cb 1.19 -0.08 0.05 0.00 -1.65 0.00 0.00 28.75 28.26 1xbs h GLU 34 CO -0.50 0.58 0.40 -3.47 0.05 0.00 0.00 179.01 176.06 1xbs n ASP 35 N -4.64 1.33 0.13 3.06 -0.08 -0.84 -4.77 116.55 110.74 1xbs n ASP 35 Ca -0.01 1.13 -0.15 0.00 -1.51 0.00 0.00 54.79 54.24 1xbs n ASP 35 Cb 0.17 -1.13 -0.08 0.00 2.34 0.00 0.00 41.12 42.42 1xbs n ASP 35 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1xbs h PRO 36 N 4.38 -0.69 -0.48 -0.67 0.13 -1.88 0.32 132.00 133.10 1xbs h PRO 36 Ca -0.48 0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1xbs h PRO 36 Cb 1.36 0.16 -0.02 0.00 0.13 0.00 0.00 31.00 32.62 1xbs h PRO 36 CO 0.76 -0.46 0.31 0.28 -0.23 0.00 0.00 178.00 178.66 1xbs h VAL 37 N -0.72 1.13 -0.52 1.56 2.07 -1.93 0.12 116.25 117.95 1xbs h VAL 37 Ca 0.01 -0.24 -0.04 0.00 0.82 0.00 0.00 66.70 67.24 1xbs h VAL 37 Cb 0.73 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 1xbs h VAL 37 CO -0.24 0.13 0.16 0.00 0.02 0.00 0.00 177.57 177.63 1xbs h LEU 39 N 0.72 0.98 -0.48 0.00 3.38 0.15 0.66 115.31 120.73 1xbs h LEU 39 Ca 0.17 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 1xbs h LEU 39 Cb 0.28 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1xbs h LEU 39 CO -0.00 0.62 0.24 1.56 0.09 0.00 0.00 178.44 180.94 1xbs h GLN 40 N 1.11 0.68 -0.11 1.13 4.20 -0.68 -2.45 115.11 118.98 1xbs h GLN 40 Ca 0.43 -0.09 -0.02 0.00 0.06 0.00 0.00 58.65 59.02 1xbs h GLN 40 Cb 0.22 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 27.87 1xbs h GLN 40 CO -0.18 0.56 -0.02 1.25 -0.67 0.00 0.00 178.83 179.77 1xbs h LEU 41 N 0.63 0.20 -0.88 1.46 5.85 -0.46 -3.06 115.31 119.06 1xbs h LEU 41 Ca 0.17 -0.35 0.11 0.00 0.84 0.00 0.00 57.88 58.64 1xbs h LEU 41 Cb 0.09 -0.06 -0.08 0.00 0.37 0.00 0.00 40.66 40.99 1xbs h LEU 41 CO -0.02 0.51 0.51 0.44 -0.34 0.00 0.00 178.44 179.54 1xbs h ASP 42 N -0.11 0.73 -0.12 1.25 5.19 -0.89 0.31 116.42 122.78 1xbs h ASP 42 Ca 0.03 0.05 0.03 0.00 -0.62 0.00 0.00 57.03 56.52 1xbs h ASP 42 Cb 0.42 -0.09 -0.03 0.00 0.18 0.00 0.00 39.33 39.81 1xbs h ASP 42 CO 0.01 0.40 -0.07 -0.78 -3.12 0.00 0.00 179.24 175.67 1xbs h ASP 43 N 0.83 -0.24 -0.93 6.45 -0.00 -1.42 1.04 116.42 122.16 1xbs h ASP 43 Ca 0.43 0.05 0.01 0.00 -0.00 0.00 0.00 57.03 57.53 1xbs h ASP 43 Cb 0.42 0.13 -0.05 0.00 -0.00 0.00 0.00 39.33 39.83 1xbs h ASP 43 CO -0.26 -0.10 0.62 0.40 -0.00 0.00 0.00 179.24 179.89 1xbs h ILE 44 N -0.08 1.23 -0.33 2.25 2.04 -1.01 0.11 117.51 121.72 1xbs h ILE 44 Ca 0.07 -0.43 -0.10 0.00 1.00 0.00 0.00 64.86 65.40 1xbs h ILE 44 Cb 0.18 -0.13 -0.02 0.00 -0.74 0.00 0.00 36.82 36.12 1xbs h ILE 44 CO -0.16 0.23 -0.20 -0.07 0.00 0.00 0.00 178.15 177.94 1xbs h LEU 45 N 1.25 0.62 0.14 1.44 3.38 0.71 -2.79 115.31 120.07 1xbs h LEU 45 Ca 0.34 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 1xbs h LEU 45 Cb -0.13 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.45 1xbs h LEU 45 CO -0.08 0.82 -0.07 0.28 0.09 0.00 0.00 178.44 179.49 1xbs h SER 46 N 0.55 -0.16 0.00 -0.43 0.02 0.21 -1.93 113.55 111.81 1xbs h SER 46 Ca 0.09 -0.29 0.00 0.00 -0.84 0.00 0.00 61.79 60.74 1xbs h SER 46 Cb 0.65 0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.23 1xbs h SER 46 CO 0.05 0.23 0.00 0.29 -1.14 0.00 0.00 176.83 176.25 1xbs n LYS 47 N -5.00 0.56 0.00 3.45 5.02 0.28 -3.21 118.16 119.26 1xbs n LYS 47 Ca -0.09 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.20 1xbs n LYS 47 Cb 0.23 -1.41 0.00 0.00 -0.02 0.00 0.00 35.03 33.84 1xbs n LYS 47 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1xbs n THR 48 N -0.91 0.00 -0.20 -0.18 -2.24 -1.06 -4.80 114.28 104.90 1xbs n THR 48 Ca 0.11 -0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 1xbs n THR 48 Cb 0.05 0.53 0.11 0.00 -2.10 0.00 0.00 70.33 68.92 1xbs n THR 48 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1xbs h SER 49 N 0.00 0.10 0.66 3.42 4.64 -1.31 -1.09 113.55 119.97 1xbs h SER 49 Ca 0.00 0.10 -0.02 0.00 -0.47 0.00 0.00 61.79 61.39 1xbs h SER 49 Cb 0.00 0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.19 1xbs h SER 49 CO 0.00 0.06 -0.49 0.77 -0.87 0.00 0.00 176.83 176.30 1xbs h SER 50 N 0.32 -1.30 0.00 4.97 4.64 -1.87 0.12 113.55 120.43 1xbs h SER 50 Ca 0.31 0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.72 1xbs h SER 50 Cb 0.43 0.40 0.00 0.00 -0.31 0.00 0.00 62.40 62.93 1xbs h SER 50 CO -0.36 -0.71 0.05 0.47 -0.87 0.00 0.00 176.83 175.41 1xbs n ASP 51 N -5.60 0.47 -0.37 4.97 8.00 -0.97 -1.11 116.55 121.94 1xbs n ASP 51 Ca -0.14 0.70 0.07 0.00 0.71 0.00 0.00 54.79 56.13 1xbs n ASP 51 Cb 0.48 -0.75 0.01 0.00 -0.02 0.00 0.00 41.12 40.85 1xbs n ASP 51 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1xbs n LEU 52 N -2.14 1.64 -0.35 0.64 4.77 -0.45 -4.64 117.00 116.47 1xbs n LEU 52 Ca -0.01 -0.82 0.33 0.00 -0.03 0.00 0.00 56.01 55.48 1xbs n LEU 52 Cb 0.08 0.00 0.59 0.00 -2.33 0.00 0.00 43.42 41.76 1xbs n LEU 52 CO 0.08 0.31 1.06 -0.24 -1.33 0.00 0.00 177.39 177.27 1xbs n SER 53 N 0.05 0.30 -0.35 -1.43 2.88 0.31 -0.34 113.62 115.03 1xbs n SER 53 Ca 0.06 1.52 0.01 0.00 -1.33 0.00 0.00 58.87 59.13 1xbs n SER 53 Cb 0.31 -0.74 0.17 0.00 -0.75 0.00 0.00 64.21 63.19 1xbs n SER 53 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 1xbs h LYS 54 N 0.00 1.17 0.00 -1.46 1.57 -1.82 -3.34 116.57 112.69 1xbs h LYS 54 Ca 0.82 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 59.53 1xbs h LYS 54 Cb 2.32 -0.26 0.00 0.00 0.08 0.00 0.00 32.23 34.36 1xbs h LYS 54 CO -0.66 0.77 0.00 0.00 -0.57 0.00 0.00 179.45 179.00 1xbs n MET 55 N -4.46 1.30 -3.71 3.15 0.00 0.54 -4.91 117.12 109.03 1xbs n MET 55 Ca 0.14 -0.94 -0.13 0.00 0.00 0.00 0.00 57.70 56.77 1xbs n MET 55 Cb 0.13 -0.82 -0.10 0.00 0.00 0.00 0.00 33.22 32.43 1xbs n MET 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1xbs s ALA 56 N -0.48 -1.14 -0.16 3.17 0.00 -0.42 -1.12 121.76 121.61 1xbs s ALA 56 Ca 0.00 1.33 0.00 0.00 0.00 0.00 0.00 51.96 53.29 1xbs s ALA 56 Cb 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 23.12 22.35 1xbs s ALA 56 CO 0.00 -0.22 -0.16 0.00 0.00 0.00 0.00 175.76 175.38 1xbs s ALA 57 N 0.34 2.47 -0.07 0.00 0.00 -0.64 -4.25 121.76 119.61 1xbs s ALA 57 Ca -0.01 -1.06 0.03 0.00 0.00 0.00 0.00 51.96 50.92 1xbs s ALA 57 Cb -0.04 -1.21 -0.02 0.00 0.00 0.00 0.00 23.12 21.85 1xbs s ALA 57 CO -0.01 -0.06 -0.16 0.42 0.00 0.00 0.00 175.76 175.96 1xbs s ILE 58 N 0.86 2.91 0.07 0.00 1.01 -1.26 -0.94 121.20 123.84 1xbs s ILE 58 Ca -0.05 -0.76 0.02 0.00 0.00 0.00 0.00 60.65 59.87 1xbs s ILE 58 Cb -0.15 -2.15 -0.03 0.00 0.01 0.00 0.00 42.46 40.13 1xbs s ILE 58 CO -0.01 0.57 -0.08 -0.31 0.00 0.00 0.00 174.94 175.11 1xbs s TYR 59 N -0.34 0.82 -0.07 3.97 1.51 -0.52 -3.92 117.35 118.80 1xbs s TYR 59 Ca 0.03 -0.64 -0.01 0.00 -1.01 0.00 0.00 57.07 55.44 1xbs s TYR 59 Cb -0.13 -0.48 -0.03 0.00 -0.11 0.00 0.00 41.96 41.22 1xbs s TYR 59 CO 0.02 -0.08 -0.03 -0.51 -1.11 0.00 0.00 175.55 173.84 1xbs s LEU 60 N -2.15 3.41 -0.05 -1.29 1.43 -0.84 -2.11 118.68 117.08 1xbs s LEU 60 Ca -0.01 0.07 0.02 0.00 -1.03 0.00 0.00 54.13 53.18 1xbs s LEU 60 Cb -0.04 -1.77 0.01 0.00 0.03 0.00 0.00 46.19 44.41 1xbs s LEU 60 CO -0.01 0.37 -0.10 -0.69 0.23 0.00 0.00 176.35 176.15 1xbs s VAL 61 N -0.86 0.90 -0.15 -1.59 1.01 0.08 -1.15 120.40 118.63 1xbs s VAL 61 Ca 0.13 -0.37 -0.27 0.00 0.00 0.00 0.00 61.98 61.47 1xbs s VAL 61 Cb -0.11 -0.83 -0.01 0.00 0.00 0.00 0.00 36.38 35.42 1xbs s VAL 61 CO 0.02 0.29 0.91 -0.62 0.00 0.00 0.00 175.10 175.70 1xbs s ASP 62 N 0.57 7.07 0.55 3.32 2.15 -1.26 -0.73 116.67 128.34 1xbs s ASP 62 Ca -0.10 1.31 0.31 0.00 0.43 0.00 0.00 52.55 54.50 1xbs s ASP 62 Cb -0.13 -2.49 1.56 0.00 -0.30 0.00 0.00 42.92 41.56 1xbs s ASP 62 CO 0.02 -0.43 2.09 -0.37 -0.17 0.00 0.00 175.17 176.30 1xbs h VAL 63 N 5.17 0.35 0.20 1.11 -1.51 -1.46 -2.56 116.25 117.55 1xbs h VAL 63 Ca -0.29 -0.48 -0.34 0.00 -1.23 0.00 0.00 66.70 64.36 1xbs h VAL 63 Cb 1.13 1.35 0.02 0.00 -2.13 0.00 0.00 31.29 31.66 1xbs h VAL 63 CO 0.85 0.08 -1.63 0.44 -1.23 0.00 0.00 177.57 176.08 1xbs h ASP 64 N 0.00 0.67 1.05 4.19 3.45 -1.92 -3.30 116.42 120.56 1xbs h ASP 64 Ca -0.00 -0.88 0.00 0.00 0.43 0.00 0.00 57.03 56.58 1xbs h ASP 64 Cb 0.35 -0.22 0.00 0.00 -0.56 0.00 0.00 39.33 38.90 1xbs h ASP 64 CO 0.01 1.72 0.00 1.67 -1.57 0.00 0.00 179.24 181.07 1xbs n GLN 65 N -3.62 0.15 -3.16 3.56 7.27 -1.14 -4.03 117.38 116.41 1xbs n GLN 65 Ca -0.21 0.22 -0.20 0.00 0.07 0.00 0.00 57.00 56.88 1xbs n GLN 65 Cb 1.08 -1.71 -0.04 0.00 2.41 0.00 0.00 30.24 31.99 1xbs n GLN 65 CO 0.00 0.00 0.00 2.41 0.07 0.00 0.00 177.06 179.54 1xbs n THR 66 N -1.97 -0.35 -0.27 1.69 -1.04 -0.98 -4.69 114.28 106.68 1xbs n THR 66 Ca 0.05 -4.21 0.02 0.00 -2.04 0.00 0.00 64.05 57.87 1xbs n THR 66 Cb 0.33 -0.75 0.23 0.00 -1.82 0.00 0.00 70.33 68.32 1xbs n THR 66 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1xbs h ALA 67 N 3.37 1.48 -0.41 2.41 0.00 -1.70 -2.63 119.26 121.77 1xbs h ALA 67 Ca 0.08 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 54.99 1xbs h ALA 67 Cb 0.94 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.39 1xbs h ALA 67 CO 0.47 0.44 0.16 -0.39 0.00 0.00 0.00 179.25 179.93 1xbs h VAL 68 N 1.05 0.89 -0.38 0.00 -1.51 -1.93 0.23 116.25 114.60 1xbs h VAL 68 Ca 0.33 -0.11 -0.15 0.00 -1.23 0.00 0.00 66.70 65.55 1xbs h VAL 68 Cb 0.02 0.54 -0.01 0.00 -2.13 0.00 0.00 31.29 29.71 1xbs h VAL 68 CO -0.10 0.06 -0.33 1.88 -1.23 0.00 0.00 177.57 177.85 1xbs h TYR 69 N 0.33 1.07 -0.61 5.19 0.05 -1.95 0.37 116.97 121.42 1xbs h TYR 69 Ca 0.19 -0.31 0.06 0.00 0.05 0.00 0.00 58.73 58.72 1xbs h TYR 69 Cb 0.16 -0.23 -0.05 0.00 1.01 0.00 0.00 36.73 37.62 1xbs h TYR 69 CO -0.14 1.12 0.32 1.15 -1.05 0.00 0.00 178.16 179.56 1xbs h THR 70 N 0.71 0.95 -0.16 -2.88 2.02 -1.09 0.23 112.91 112.69 1xbs h THR 70 Ca 0.07 -0.21 -0.04 0.00 0.77 0.00 0.00 66.41 67.01 1xbs h THR 70 Cb 0.92 0.30 -0.01 0.00 -1.74 0.00 0.00 68.15 67.62 1xbs h THR 70 CO 0.08 0.11 -0.04 -0.61 0.37 0.00 0.00 175.52 175.43 1xbs h GLN 71 N 0.60 0.32 -0.65 6.66 4.15 -0.34 -0.83 115.11 125.01 1xbs h GLN 71 Ca 0.27 -0.12 0.09 0.00 0.77 0.00 0.00 58.65 59.66 1xbs h GLN 71 Cb 0.18 -0.02 -0.04 0.00 0.21 0.00 0.00 27.48 27.81 1xbs h GLN 71 CO -0.18 0.59 0.43 -0.92 -1.93 0.00 0.00 178.83 176.82 1xbs h TYR 72 N 0.02 0.55 -0.25 3.99 3.20 0.61 1.00 116.97 126.09 1xbs h TYR 72 Ca 0.04 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.93 1xbs h TYR 72 Cb 0.47 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.56 1xbs h TYR 72 CO 0.05 0.27 0.00 1.19 -1.64 0.00 0.00 178.16 178.03 1xbs n PHE 73 N -4.48 0.33 -3.84 -3.82 0.99 0.73 -4.94 117.46 102.42 1xbs n PHE 73 Ca 0.11 -0.16 -0.24 0.00 -0.00 0.00 0.00 57.45 57.16 1xbs n PHE 73 Cb 0.34 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.82 1xbs n PHE 73 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 1xbs n ASP 74 N 0.72 -0.75 -4.67 4.37 4.64 0.34 -4.92 116.55 116.28 1xbs n ASP 74 Ca 0.17 -0.93 -0.41 0.00 -1.38 0.00 0.00 54.79 52.24 1xbs n ASP 74 Cb 0.42 -3.47 -0.05 0.00 -1.04 0.00 0.00 41.12 36.98 1xbs n ASP 74 CO 0.00 0.00 0.00 -0.63 -0.82 0.00 0.00 177.20 175.75 1xbs s ILE 75 N -3.83 4.94 -0.01 5.18 1.01 -0.36 -4.91 121.20 123.21 1xbs s ILE 75 Ca 0.01 1.48 0.01 0.00 0.00 0.00 0.00 60.65 62.14 1xbs s ILE 75 Cb -0.00 -4.07 -0.01 0.00 0.01 0.00 0.00 42.46 38.39 1xbs s ILE 75 CO 0.86 0.08 -0.00 -1.20 0.00 0.00 0.00 174.94 174.67 1xbs n SER 76 N 5.00 4.30 -4.71 3.58 7.64 -1.26 -4.84 113.62 123.32 1xbs n SER 76 Ca 0.02 -0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.59 1xbs n SER 76 Cb 0.49 0.26 -0.08 0.00 -1.01 0.00 0.00 64.21 63.87 1xbs n SER 76 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1xbs s TYR 77 N -2.03 3.06 0.08 1.43 2.02 -1.26 -5.13 117.35 115.52 1xbs s TYR 77 Ca -0.01 0.03 0.08 0.00 -0.37 0.00 0.00 57.07 56.79 1xbs s TYR 77 Cb 0.00 -1.59 -0.03 0.00 -0.40 0.00 0.00 41.96 39.94 1xbs s TYR 77 CO 0.04 0.49 -0.20 0.96 -1.57 0.00 0.00 175.55 175.27 1xbs s ILE 78 N -1.27 1.64 0.47 2.71 -4.36 -1.26 -4.04 121.20 115.08 1xbs s ILE 78 Ca 0.25 -1.40 -0.19 0.00 -0.26 0.00 0.00 60.65 59.05 1xbs s ILE 78 Cb -0.12 -1.47 -0.09 0.00 1.25 0.00 0.00 42.46 42.03 1xbs s ILE 78 CO 0.17 0.01 0.97 -2.16 0.24 0.00 0.00 174.94 174.17 1xbs s PRO 79 N -1.64 4.09 -0.08 0.37 0.04 -1.26 -4.82 135.00 131.70 1xbs s PRO 79 Ca 0.06 1.04 0.02 0.00 0.04 0.00 0.00 61.00 62.15 1xbs s PRO 79 Cb -0.10 -2.16 0.02 0.00 0.04 0.00 0.00 34.50 32.30 1xbs s PRO 79 CO 0.03 -0.15 -0.11 -1.12 0.04 0.00 0.00 177.00 175.70 1xbs s SER 80 N -2.62 1.83 -0.12 6.66 0.01 -0.54 -1.05 113.70 117.87 1xbs s SER 80 Ca 0.60 -0.29 0.01 0.00 1.31 0.00 0.00 55.95 57.58 1xbs s SER 80 Cb -0.09 -0.82 -0.01 0.00 0.21 0.00 0.00 66.02 65.31 1xbs s SER 80 CO 0.22 -0.00 -0.16 -0.89 0.41 0.00 0.00 173.24 172.82 1xbs s THR 81 N 0.91 2.80 0.06 1.44 2.01 0.24 -0.04 115.64 123.06 1xbs s THR 81 Ca -0.10 -0.75 0.05 0.00 0.31 0.00 0.00 61.69 61.20 1xbs s THR 81 Cb -0.15 -2.15 -0.04 0.00 0.01 0.00 0.00 72.50 70.17 1xbs s THR 81 CO 0.01 0.53 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.73 1xbs s VAL 82 N 0.38 3.71 -0.05 3.82 1.01 -0.34 -1.29 120.40 127.63 1xbs s VAL 82 Ca -0.12 -0.99 0.06 0.00 0.00 0.00 0.00 61.98 60.92 1xbs s VAL 82 Cb -0.16 -2.71 -0.01 0.00 0.00 0.00 0.00 36.38 33.50 1xbs s VAL 82 CO 0.06 0.21 -0.23 -0.36 0.00 0.00 0.00 175.10 174.78 1xbs s PHE 83 N -1.18 2.28 0.16 5.22 0.40 -1.26 -1.34 117.98 122.27 1xbs s PHE 83 Ca 0.21 -0.68 0.06 0.00 -0.60 0.00 0.00 56.93 55.93 1xbs s PHE 83 Cb -0.11 -1.50 -0.04 0.00 0.51 0.00 0.00 43.02 41.87 1xbs s PHE 83 CO 0.13 -0.21 -0.13 -0.06 0.70 0.00 0.00 175.22 175.66 1xbs s PHE 84 N -0.12 1.46 -0.22 0.36 0.40 -0.39 0.12 117.98 119.58 1xbs s PHE 84 Ca -0.04 -0.64 -0.04 0.00 -0.60 0.00 0.00 56.93 55.62 1xbs s PHE 84 Cb -0.13 -0.72 0.12 0.00 0.51 0.00 0.00 43.02 42.80 1xbs s PHE 84 CO 0.03 0.20 0.35 0.12 0.70 0.00 0.00 175.22 176.62 1xbs s PHE 85 N -2.90 -0.71 -1.53 0.36 2.19 0.56 0.41 117.98 116.35 1xbs s PHE 85 Ca 0.17 0.84 -0.13 0.00 0.33 0.00 0.00 56.93 58.14 1xbs s PHE 85 Cb -0.00 -0.00 0.09 0.00 -1.31 0.00 0.00 43.02 41.79 1xbs s PHE 85 CO 0.03 -0.65 0.90 0.09 1.83 0.00 0.00 175.22 177.43 1xbs n ASN 86 N 5.36 -3.99 0.00 6.13 3.02 -1.26 -1.16 115.26 123.36 1xbs n ASN 86 Ca -0.05 -0.83 0.00 0.00 -0.03 0.00 0.00 54.58 53.67 1xbs n ASN 86 Cb 0.50 -3.68 0.00 0.00 -0.61 0.00 0.00 39.78 35.99 1xbs n ASN 86 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xbs n GLY 87 N -1.65 1.27 3.67 7.41 0.00 -1.24 -5.04 105.19 109.62 1xbs n GLY 87 Ca -0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1xbs n GLY 87 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1xbs s GLN 88 N -0.57 4.16 -0.29 1.61 -0.21 -0.31 -5.04 119.66 119.01 1xbs s GLN 88 Ca 0.00 0.12 -0.29 0.00 0.02 0.00 0.00 55.36 55.21 1xbs s GLN 88 Cb 0.00 -3.53 -0.02 0.00 1.00 0.00 0.00 33.01 30.46 1xbs s GLN 88 CO 0.00 -0.01 1.69 -1.58 -2.12 0.00 0.00 175.29 173.27 1xbs s HIS 89 N 1.22 1.98 0.14 0.91 5.65 -1.26 -0.32 115.29 123.61 1xbs s HIS 89 Ca 0.17 0.59 -0.23 0.00 0.25 0.00 0.00 55.06 55.84 1xbs s HIS 89 Cb -0.14 -4.10 -0.08 0.00 -1.18 0.00 0.00 32.58 27.08 1xbs s HIS 89 CO 0.07 -2.87 0.70 -1.64 -0.65 0.00 0.00 174.74 170.36 1xbs s MET 90 N 5.18 4.42 -0.12 2.88 1.00 0.12 -4.97 119.30 127.81 1xbs s MET 90 Ca 0.75 0.99 -0.05 0.00 0.00 0.00 0.00 55.69 57.38 1xbs s MET 90 Cb -0.23 -3.21 -0.04 0.00 0.00 0.00 0.00 34.83 31.35 1xbs s MET 90 CO 0.32 0.58 0.06 0.15 0.00 0.00 0.00 175.02 176.13 1xbs s LYS 91 N -1.22 3.33 -0.05 2.03 1.02 -0.76 -4.52 119.74 119.57 1xbs s LYS 91 Ca 0.34 -0.29 0.04 0.00 0.02 0.00 0.00 55.97 56.08 1xbs s LYS 91 Cb -0.21 -3.02 -0.00 0.00 -0.52 0.00 0.00 37.83 34.08 1xbs s LYS 91 CO 0.23 0.65 -0.18 0.08 -0.92 0.00 0.00 175.35 175.22 1xbs s VAL 92 N -0.71 1.51 -0.22 3.17 1.01 -0.14 -1.72 120.40 123.30 1xbs s VAL 92 Ca 0.12 -0.75 0.29 0.00 0.00 0.00 0.00 61.98 61.63 1xbs s VAL 92 Cb -0.12 -1.30 0.35 0.00 0.00 0.00 0.00 36.38 35.31 1xbs s VAL 92 CO 0.03 0.43 1.82 -0.78 0.00 0.00 0.00 175.10 176.60 1xbs h ASP 93 N 6.34 0.00 0.00 3.32 1.82 -1.15 -3.39 116.42 123.37 1xbs h ASP 93 Ca -0.31 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.33 1xbs h ASP 93 Cb 1.18 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.19 1xbs h ASP 93 CO 0.48 0.00 0.00 -1.22 -1.61 0.00 0.00 179.24 176.89 1xbs n TYR 94 N -2.88 0.00 0.02 0.28 0.53 -1.26 -4.14 117.16 109.70 1xbs n TYR 94 Ca 0.02 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.90 1xbs n TYR 94 Cb 0.37 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.68 1xbs n TYR 94 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1xbs n GLY 95 N 0.00 -0.79 3.46 2.72 0.00 -1.26 -4.59 105.19 104.74 1xbs n GLY 95 Ca 0.00 0.11 -0.28 0.00 0.00 0.00 0.00 46.02 45.85 1xbs n GLY 95 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1xbs s SER 96 N -2.00 0.68 0.51 1.61 0.15 -1.26 -4.93 113.70 108.46 1xbs s SER 96 Ca 0.00 1.50 0.27 0.00 0.70 0.00 0.00 55.95 58.43 1xbs s SER 96 Cb 0.00 -2.32 1.37 0.00 -1.71 0.00 0.00 66.02 63.36 1xbs s SER 96 CO 0.00 -4.39 2.03 1.55 1.20 0.00 0.00 173.24 173.63 1xbs h PRO 97 N -2.75 0.00 -5.32 5.44 0.13 -2.00 -3.40 132.00 124.10 1xbs h PRO 97 Ca -0.63 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 63.85 1xbs h PRO 97 Cb 1.34 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.31 1xbs h PRO 97 CO 0.50 0.13 0.41 0.34 -0.23 0.00 0.00 178.00 179.15 1xbs s ASP 98 N -6.12 6.21 0.00 1.44 3.68 -1.26 -4.82 116.67 115.80 1xbs s ASP 98 Ca -0.02 -0.95 0.27 0.00 2.13 0.00 0.00 52.55 53.98 1xbs s ASP 98 Cb 0.12 -2.38 0.96 0.00 -1.45 0.00 0.00 42.92 40.17 1xbs s ASP 98 CO 0.59 -1.28 1.69 1.41 0.13 0.00 0.00 175.17 177.71 1xbs n HIS 99 N 7.23 0.00 0.17 -5.34 8.25 -1.26 -4.15 115.22 120.13 1xbs n HIS 99 Ca -0.04 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.46 1xbs n HIS 99 Cb 0.45 -0.06 0.23 0.00 1.12 0.00 0.00 29.99 31.74 1xbs n HIS 99 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 1xbs h THR 100 N 1.76 0.86 -2.22 1.59 2.02 -1.88 -0.36 112.91 114.69 1xbs h THR 100 Ca 0.00 -1.76 -0.07 0.00 0.77 0.00 0.00 66.41 65.35 1xbs h THR 100 Cb 0.49 2.10 -0.19 0.00 -1.74 0.00 0.00 68.15 68.81 1xbs h THR 100 CO 0.00 0.41 0.12 -1.59 0.37 0.00 0.00 175.52 174.83 1xbs s LYS 101 N -3.37 1.01 -0.22 6.66 -2.85 -1.26 -4.68 119.74 115.04 1xbs s LYS 101 Ca 0.01 0.14 -0.16 0.00 -1.00 0.00 0.00 55.97 54.97 1xbs s LYS 101 Cb 0.10 0.47 -0.04 0.00 -2.06 0.00 0.00 37.83 36.30 1xbs s LYS 101 CO 0.70 -0.32 0.42 0.12 0.10 0.00 0.00 175.35 176.37 1xbs s PHE 102 N -1.37 3.34 -0.18 1.78 2.19 -0.41 -4.91 117.98 118.42 1xbs s PHE 102 Ca -0.11 0.60 -0.08 0.00 0.33 0.00 0.00 56.93 57.67 1xbs s PHE 102 Cb -0.01 -2.56 -0.04 0.00 -1.31 0.00 0.00 43.02 39.10 1xbs s PHE 102 CO 0.08 -0.08 0.08 0.08 1.83 0.00 0.00 175.22 177.21 1xbs s VAL 103 N 1.55 4.92 0.00 3.12 1.01 -1.26 -0.60 120.40 129.15 1xbs s VAL 103 Ca 0.19 0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.18 1xbs s VAL 103 Cb -0.15 -3.22 0.00 0.00 0.00 0.00 0.00 36.38 33.01 1xbs s VAL 103 CO 0.08 0.46 0.00 0.61 0.00 0.00 0.00 175.10 176.25 1xbs n GLY 104 N 3.51 -0.94 3.77 4.51 0.00 -0.21 -4.93 105.19 110.90 1xbs n GLY 104 Ca -0.16 -2.04 -0.33 0.00 0.00 0.00 0.00 46.02 43.49 1xbs n GLY 104 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1xbs s SER 105 N -4.00 4.16 -0.04 1.61 0.15 -1.26 -4.64 113.70 109.67 1xbs s SER 105 Ca 0.00 -1.65 -0.02 0.00 0.70 0.00 0.00 55.95 54.98 1xbs s SER 105 Cb 0.00 0.55 -0.04 0.00 -1.71 0.00 0.00 66.02 64.82 1xbs s SER 105 CO 0.00 -0.88 0.09 -0.36 1.20 0.00 0.00 173.24 173.30 1xbs s PHE 106 N -2.88 3.36 0.16 3.44 0.40 -1.26 -4.36 117.98 116.85 1xbs s PHE 106 Ca 0.06 0.29 -0.19 0.00 -0.60 0.00 0.00 56.93 56.49 1xbs s PHE 106 Cb 0.01 -1.80 0.08 0.00 0.51 0.00 0.00 43.02 41.82 1xbs s PHE 106 CO 0.03 0.59 1.65 0.87 0.70 0.00 0.00 175.22 179.06 1xbs h LYS 107 N 4.44 -0.10 0.00 0.44 1.57 -1.85 -3.45 116.57 117.62 1xbs h LYS 107 Ca -0.51 0.01 -0.37 0.00 -1.87 0.00 0.00 60.65 57.91 1xbs h LYS 107 Cb 1.19 0.02 -0.08 0.00 0.08 0.00 0.00 32.23 33.45 1xbs h LYS 107 CO 0.61 -0.07 -0.31 0.25 -0.57 0.00 0.00 179.45 179.36 1xbs n THR 108 N -5.35 0.00 0.08 -0.16 -2.24 -1.26 -5.04 114.28 100.31 1xbs n THR 108 Ca 0.01 -1.57 -0.03 0.00 -2.27 0.00 0.00 64.05 60.19 1xbs n THR 108 Cb 0.26 0.56 -0.07 0.00 -2.10 0.00 0.00 70.33 68.98 1xbs n THR 108 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 1xbs h LYS 109 N 0.00 0.00 -0.37 -0.78 -0.00 -1.95 -3.32 116.57 110.15 1xbs h LYS 109 Ca -0.21 0.00 -0.13 0.00 -0.00 0.00 0.00 60.65 60.31 1xbs h LYS 109 Cb 0.80 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 33.02 1xbs h LYS 109 CO 0.33 0.73 -0.27 0.37 -0.00 0.00 0.00 179.45 180.61 1xbs h GLN 110 N 0.00 0.78 -0.04 0.07 5.75 -1.98 -2.66 115.11 117.03 1xbs h GLN 110 Ca -0.05 -0.34 0.02 0.00 -0.15 0.00 0.00 58.65 58.13 1xbs h GLN 110 Cb 1.65 -0.02 -0.05 0.00 1.07 0.00 0.00 27.48 30.13 1xbs h GLN 110 CO 0.10 0.96 -0.46 -0.44 -2.65 0.00 0.00 178.83 176.34 1xbs h ASP 111 N 0.67 -1.44 -0.70 -0.69 3.45 -1.98 0.40 116.42 116.12 1xbs h ASP 111 Ca 0.08 0.16 0.10 0.00 0.43 0.00 0.00 57.03 57.81 1xbs h ASP 111 Cb 0.80 0.55 -0.08 0.00 -0.56 0.00 0.00 39.33 40.05 1xbs h ASP 111 CO 0.07 -0.44 0.32 0.15 -1.57 0.00 0.00 179.24 177.77 1xbs h PHE 112 N -0.55 0.56 -0.65 4.55 3.57 -1.69 0.41 116.94 123.13 1xbs h PHE 112 Ca 0.02 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.54 1xbs h PHE 112 Cb 0.61 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 39.17 1xbs h PHE 112 CO -0.52 0.17 0.40 0.82 -2.23 0.00 0.00 178.31 176.94 1xbs h ILE 113 N 0.53 1.19 0.36 1.41 2.04 -1.02 -0.90 117.51 121.11 1xbs h ILE 113 Ca 0.36 -0.41 -0.02 0.00 1.00 0.00 0.00 64.86 65.79 1xbs h ILE 113 Cb 0.43 0.28 0.00 0.00 -0.74 0.00 0.00 36.82 36.79 1xbs h ILE 113 CO -0.30 0.19 -0.17 0.44 0.00 0.00 0.00 178.15 178.31 1xbs h ASP 114 N 0.89 -0.40 -0.90 1.72 3.32 0.14 -2.43 116.42 118.76 1xbs h ASP 114 Ca 0.23 -0.07 0.19 0.00 0.02 0.00 0.00 57.03 57.40 1xbs h ASP 114 Cb -0.03 0.10 -0.11 0.00 0.22 0.00 0.00 39.33 39.51 1xbs h ASP 114 CO -0.04 -0.18 0.46 0.25 -1.72 0.00 0.00 179.24 178.00 1xbs h LEU 115 N -0.61 0.51 -1.22 1.55 5.85 -0.05 0.66 115.31 121.99 1xbs h LEU 115 Ca -0.05 0.12 -0.05 0.00 0.84 0.00 0.00 57.88 58.74 1xbs h LEU 115 Cb 0.45 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.50 1xbs h LEU 115 CO 0.08 0.14 0.05 0.40 -0.34 0.00 0.00 178.44 178.77 1xbs h ILE 116 N 0.56 1.20 -0.08 4.05 1.08 -0.98 -1.80 117.51 121.54 1xbs h ILE 116 Ca 0.53 -0.74 -0.01 0.00 -0.39 0.00 0.00 64.86 64.24 1xbs h ILE 116 Cb 0.87 0.85 -0.00 0.00 -3.07 0.00 0.00 36.82 35.47 1xbs h ILE 116 CO -0.43 0.26 -0.00 -0.33 -0.69 0.00 0.00 178.15 176.96 1xbs h GLU 117 N 0.57 0.15 -0.59 2.37 5.08 -0.39 0.12 114.58 121.89 1xbs h GLU 117 Ca 0.13 -0.05 0.10 0.00 -1.00 0.00 0.00 59.36 58.54 1xbs h GLU 117 Cb 0.29 -0.01 -0.08 0.00 0.50 0.00 0.00 28.75 29.45 1xbs h GLU 117 CO 0.00 0.43 0.18 0.28 -1.00 0.00 0.00 179.01 178.90 1xbs h VAL 118 N -0.15 0.72 0.04 3.13 2.07 -1.13 0.69 116.25 121.62 1xbs h VAL 118 Ca 0.02 -0.12 -0.00 0.00 0.82 0.00 0.00 66.70 67.42 1xbs h VAL 118 Cb 0.36 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 30.49 1xbs h VAL 118 CO 0.01 0.06 -0.02 0.40 0.02 0.00 0.00 177.57 178.04 1xbs h ILE 119 N 0.34 1.10 -0.27 4.57 2.04 -1.16 -0.03 117.51 124.08 1xbs h ILE 119 Ca 0.30 -0.45 0.05 0.00 1.00 0.00 0.00 64.86 65.76 1xbs h ILE 119 Cb 0.40 1.39 -0.05 0.00 -0.74 0.00 0.00 36.82 37.83 1xbs h ILE 119 CO -0.34 0.11 -0.04 0.22 0.00 0.00 0.00 178.15 178.11 1xbs h TYR 120 N -0.26 -0.08 0.43 1.37 3.20 -0.01 0.25 116.97 121.87 1xbs h TYR 120 Ca -0.01 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.87 1xbs h TYR 120 Cb 0.23 0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.58 1xbs h TYR 120 CO -0.01 -0.08 -0.21 0.00 -1.64 0.00 0.00 178.16 176.22 1xbs h ARG 121 N 0.04 -0.55 -0.88 1.82 3.08 -0.88 0.39 114.38 117.39 1xbs h ARG 121 Ca 0.13 0.04 0.20 0.00 0.07 0.00 0.00 59.98 60.42 1xbs h ARG 121 Cb 0.19 0.13 -0.11 0.00 0.08 0.00 0.00 29.97 30.25 1xbs h ARG 121 CO -0.25 -0.24 0.41 0.78 -1.07 0.00 0.00 179.97 179.60 1xbs h GLY 122 N -0.92 1.50 0.89 0.04 0.00 -0.89 0.58 103.07 104.27 1xbs h GLY 122 Ca -0.06 -0.20 -0.09 0.00 0.00 0.00 0.00 47.33 46.98 1xbs h GLY 122 CO 0.10 -0.19 -0.21 0.00 0.00 0.00 0.00 176.54 176.24 1xbs h ALA 123 N 1.66 0.36 -0.00 3.60 0.00 -0.42 0.31 119.26 124.77 1xbs h ALA 123 Ca 0.53 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 1xbs h ALA 123 Cb 0.94 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1xbs h ALA 123 CO -0.47 0.30 -0.19 1.98 0.00 0.00 0.00 179.25 180.87 1xbs h MET 124 N 0.29 0.01 -0.42 0.00 -1.53 0.18 -0.63 114.93 112.83 1xbs h MET 124 Ca 0.04 -0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.30 1xbs h MET 124 Cb 0.75 -0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.80 1xbs h MET 124 CO 0.05 0.20 0.00 0.54 0.14 0.00 0.00 176.91 177.84 1xbs n ARG 125 N -4.31 1.67 -1.07 0.39 1.74 0.18 -4.89 116.66 110.37 1xbs n ARG 125 Ca -0.02 -0.79 -0.03 0.00 -0.77 0.00 0.00 57.85 56.24 1xbs n ARG 125 Cb 0.25 -1.33 -0.01 0.00 -1.02 0.00 0.00 32.46 30.35 1xbs n ARG 125 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1xbs n GLY 126 N 0.62 0.58 3.93 -0.13 0.00 -0.24 -5.03 105.19 104.93 1xbs n GLY 126 Ca 0.07 -0.77 -0.25 0.00 0.00 0.00 0.00 46.02 45.07 1xbs n GLY 126 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xbs s LYS 127 N -1.91 2.32 0.00 1.61 1.02 0.11 -4.99 119.74 117.89 1xbs s LYS 127 Ca 0.00 -0.31 0.00 0.00 0.02 0.00 0.00 55.97 55.68 1xbs s LYS 127 Cb 0.00 -2.23 0.00 0.00 -0.52 0.00 0.00 37.83 35.08 1xbs s LYS 127 CO 0.00 -1.11 0.07 1.28 -0.92 0.00 0.00 175.35 174.67 1xbs n LEU 128 N -2.80 0.13 -3.79 3.17 4.77 -1.26 -4.47 117.00 112.75 1xbs n LEU 128 Ca 0.08 -0.37 -0.13 0.00 -0.03 0.00 0.00 56.01 55.56 1xbs n LEU 128 Cb 0.60 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.56 1xbs n LEU 128 CO 0.51 0.03 -0.19 -0.51 -1.33 0.00 0.00 177.39 175.91 1xbs s ILE 129 N -0.47 -0.02 0.09 -0.08 1.10 -1.26 -1.82 121.20 118.74 1xbs s ILE 129 Ca 0.00 0.07 -0.01 0.00 -0.51 0.00 0.00 60.65 60.20 1xbs s ILE 129 Cb 0.00 -0.26 -0.04 0.00 0.15 0.00 0.00 42.46 42.31 1xbs s ILE 129 CO 0.00 0.03 0.02 0.68 -2.11 0.00 0.00 174.94 173.55 1xbs s VAL 130 N 0.53 0.17 -0.03 4.00 -7.23 -0.70 -4.99 120.40 112.15 1xbs s VAL 130 Ca -0.04 -1.87 -0.06 0.00 -1.81 0.00 0.00 61.98 58.21 1xbs s VAL 130 Cb -0.05 -1.81 -0.04 0.00 0.56 0.00 0.00 36.38 35.04 1xbs s VAL 130 CO -0.03 -0.71 0.21 -1.10 -0.31 0.00 0.00 175.10 173.16 1xbs s GLN 131 N -3.99 3.51 0.12 4.82 -0.21 -1.26 -0.60 119.66 122.05 1xbs s GLN 131 Ca 0.16 -0.15 -0.31 0.00 0.02 0.00 0.00 55.36 55.08 1xbs s GLN 131 Cb 0.08 -3.12 -0.08 0.00 1.00 0.00 0.00 33.01 30.89 1xbs s GLN 131 CO -0.04 0.69 1.35 0.45 -2.12 0.00 0.00 175.29 175.63 1xbs s SER 132 N -1.58 6.87 0.00 5.90 0.15 -1.26 -4.82 113.70 118.97 1xbs s SER 132 Ca 0.24 2.29 0.29 0.00 0.70 0.00 0.00 55.95 59.48 1xbs s SER 132 Cb -0.13 -2.59 1.35 0.00 -1.71 0.00 0.00 66.02 62.94 1xbs s SER 132 CO 0.14 -0.61 1.92 -0.81 1.20 0.00 0.00 173.24 175.08 1xbs n PRO 133 N 3.74 0.94 0.00 5.44 -0.04 -1.26 -4.79 135.00 139.04 1xbs n PRO 133 Ca 0.10 -0.32 0.00 0.00 -0.04 0.00 0.00 63.50 63.25 1xbs n PRO 133 Cb 0.43 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.40 1xbs n PRO 133 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 1xbs n ILE 134 N -0.75 0.00 -3.97 0.52 -5.35 -1.26 -5.03 119.36 103.52 1xbs n ILE 134 Ca 0.17 0.00 -0.09 0.00 -0.27 0.00 0.00 62.75 62.57 1xbs n ILE 134 Cb 0.25 0.00 -0.10 0.00 -1.74 0.00 0.00 39.64 38.06 1xbs n ILE 134 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1xbs s ASP 135 N 1.00 0.25 0.00 7.28 2.15 -1.26 -4.99 116.67 121.10 1xbs s ASP 135 Ca 0.00 -0.64 0.00 0.00 0.43 0.00 0.00 52.55 52.34 1xbs s ASP 135 Cb 0.00 0.21 0.00 0.00 -0.30 0.00 0.00 42.92 42.83 1xbs s ASP 135 CO 0.00 -0.51 0.00 -0.81 -0.17 0.00 0.00 175.17 173.68 1xbs n PRO 136 N 0.70 0.00 0.00 4.34 -0.04 -1.26 -4.72 135.00 134.02 1xbs n PRO 136 Ca -0.18 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.28 1xbs n PRO 136 Cb 0.59 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.05 1xbs n PRO 136 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63