#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xbf s ILE 5 N 0.00 3.09 -0.24 1.34 -0.00 -1.07 -4.98 121.20 119.34 1xbf s ILE 5 Ca 0.00 -0.81 -0.06 0.00 -0.00 0.00 0.00 60.65 59.78 1xbf s ILE 5 Cb 0.00 -2.24 -0.02 0.00 -0.00 0.00 0.00 42.46 40.20 1xbf s ILE 5 CO 0.00 0.52 0.03 -1.61 -0.00 0.00 0.00 174.94 173.88 1xbf s GLU 6 N -0.95 3.49 0.07 0.37 2.02 -1.26 -2.11 118.70 120.34 1xbf s GLU 6 Ca 0.13 -0.57 -0.01 0.00 0.02 0.00 0.00 54.97 54.54 1xbf s GLU 6 Cb -0.11 -3.22 -0.04 0.00 0.10 0.00 0.00 34.13 30.87 1xbf s GLU 6 CO 0.02 -0.22 0.24 0.71 0.02 0.00 0.00 175.26 176.03 1xbf s TYR 7 N 1.55 3.51 -0.14 1.61 1.51 -0.70 -4.95 117.35 119.75 1xbf s TYR 7 Ca 0.06 0.31 -0.07 0.00 -1.01 0.00 0.00 57.07 56.35 1xbf s TYR 7 Cb -0.15 -1.80 -0.04 0.00 -0.11 0.00 0.00 41.96 39.86 1xbf s TYR 7 CO 0.01 0.56 0.11 0.45 -1.11 0.00 0.00 175.55 175.57 1xbf s SER 8 N -2.48 6.11 -0.03 2.29 0.15 -1.26 -2.08 113.70 116.40 1xbf s SER 8 Ca 0.36 0.33 0.05 0.00 0.70 0.00 0.00 55.95 57.39 1xbf s SER 8 Cb -0.13 -1.98 -0.01 0.00 -1.71 0.00 0.00 66.02 62.19 1xbf s SER 8 CO 0.27 0.33 -0.16 -0.76 1.20 0.00 0.00 173.24 174.12 1xbf s LEU 9 N -0.56 1.97 -0.31 3.45 2.01 0.14 -4.97 118.68 120.40 1xbf s LEU 9 Ca 0.12 -0.32 0.00 0.00 0.01 0.00 0.00 54.13 53.94 1xbf s LEU 9 Cb -0.12 -0.89 0.07 0.00 0.01 0.00 0.00 46.19 45.26 1xbf s LEU 9 CO 0.02 0.17 -0.00 -0.75 1.01 0.00 0.00 176.35 176.80 1xbf s LYS 10 N -0.17 2.21 0.37 1.70 2.47 -1.26 0.13 119.74 125.18 1xbf s LYS 10 Ca 0.02 -1.43 -0.07 0.00 -1.56 0.00 0.00 55.97 52.92 1xbf s LYS 10 Cb -0.09 -3.15 -0.06 0.00 -1.46 0.00 0.00 37.83 33.08 1xbf s LYS 10 CO 0.01 -0.70 0.68 0.95 0.16 0.00 0.00 175.35 176.45 1xbf s THR 11 N 1.16 4.90 -0.00 3.43 -4.23 -0.80 -4.98 115.64 115.11 1xbf s THR 11 Ca -0.03 0.33 -0.03 0.00 -1.18 0.00 0.00 61.69 60.77 1xbf s THR 11 Cb -0.20 -3.75 -0.01 0.00 1.34 0.00 0.00 72.50 69.88 1xbf s THR 11 CO -0.03 -0.48 -0.07 -1.54 -0.54 0.00 0.00 174.62 171.96 1xbf n SER 12 N -1.28 0.73 -4.82 3.99 3.41 -1.26 -3.48 113.62 110.90 1xbf n SER 12 Ca 0.00 0.11 -0.30 0.00 -0.26 0.00 0.00 58.87 58.43 1xbf n SER 12 Cb 0.54 -0.34 0.10 0.00 -0.26 0.00 0.00 64.21 64.24 1xbf n SER 12 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1xbf s ASN 13 N -5.31 4.37 0.25 4.04 3.04 -1.26 -3.24 114.94 116.83 1xbf s ASN 13 Ca -0.06 1.13 -0.04 0.00 0.04 0.00 0.00 52.86 53.93 1xbf s ASN 13 Cb 0.01 -1.80 0.41 0.00 -1.54 0.00 0.00 41.25 38.33 1xbf s ASN 13 CO 0.08 -2.03 1.81 -2.24 -3.04 0.00 0.00 177.10 171.69 1xbf h ASP 14 N -1.13 0.71 -3.56 -4.21 2.03 -1.94 -3.30 116.42 105.01 1xbf h ASP 14 Ca -0.48 0.05 -0.30 0.00 -0.73 0.00 0.00 57.03 55.57 1xbf h ASP 14 Cb 1.29 -0.09 -0.33 0.00 -0.83 0.00 0.00 39.33 39.37 1xbf h ASP 14 CO 0.61 0.40 -0.73 1.51 -1.03 0.00 0.00 179.24 180.00 1xbf s ASP 15 N -5.62 0.16 0.07 4.15 -4.77 -1.26 0.21 116.67 109.62 1xbf s ASP 15 Ca -0.12 0.01 -0.26 0.00 -3.30 0.00 0.00 52.55 48.88 1xbf s ASP 15 Cb 0.20 -0.09 0.08 0.00 -1.09 0.00 0.00 42.92 42.01 1xbf s ASP 15 CO 0.78 -0.09 0.72 0.00 0.70 0.00 0.00 175.17 177.28 1xbf s GLN 16 N 0.84 1.08 -0.22 2.11 -2.07 0.21 -4.99 119.66 116.62 1xbf s GLN 16 Ca -0.07 -0.31 -0.07 0.00 -1.82 0.00 0.00 55.36 53.08 1xbf s GLN 16 Cb -0.11 0.50 -0.03 0.00 -1.09 0.00 0.00 33.01 32.28 1xbf s GLN 16 CO -0.02 -0.46 0.07 -0.06 -1.32 0.00 0.00 175.29 173.50 1xbf s PHE 17 N -3.17 3.14 -0.27 9.60 0.40 -1.26 -0.62 117.98 125.80 1xbf s PHE 17 Ca 0.01 -0.21 -0.04 0.00 -0.60 0.00 0.00 56.93 56.09 1xbf s PHE 17 Cb -0.01 -2.18 0.02 0.00 0.51 0.00 0.00 43.02 41.36 1xbf s PHE 17 CO -0.09 -0.16 0.00 0.42 0.70 0.00 0.00 175.22 176.09 1xbf s ILE 18 N 1.16 3.36 -0.25 0.64 1.01 -0.28 -4.93 121.20 121.90 1xbf s ILE 18 Ca 0.05 -0.86 -0.29 0.00 0.00 0.00 0.00 60.65 59.54 1xbf s ILE 18 Cb -0.14 -2.71 -0.02 0.00 0.01 0.00 0.00 42.46 39.59 1xbf s ILE 18 CO 0.03 0.15 1.67 -0.62 0.00 0.00 0.00 174.94 176.18 1xbf s ASP 19 N 1.40 6.24 -0.16 3.58 -1.08 -1.26 -0.81 116.67 124.58 1xbf s ASP 19 Ca 0.01 1.54 0.17 0.00 -0.52 0.00 0.00 52.55 53.75 1xbf s ASP 19 Cb -0.17 -2.53 0.45 0.00 -1.46 0.00 0.00 42.92 39.21 1xbf s ASP 19 CO -0.01 -1.39 1.33 2.30 0.52 0.00 0.00 175.17 177.92 1xbf n ILE 20 N 6.71 2.15 -0.33 4.11 -5.35 0.69 -4.67 119.36 122.66 1xbf n ILE 20 Ca 0.20 -2.00 0.07 0.00 -0.27 0.00 0.00 62.75 60.75 1xbf n ILE 20 Cb 0.46 -0.24 0.26 0.00 -1.74 0.00 0.00 39.64 38.37 1xbf n ILE 20 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1xbf h THR 21 N 1.22 0.96 -0.97 7.28 2.02 -1.86 -0.10 112.91 121.46 1xbf h THR 21 Ca 0.00 -0.33 0.01 0.00 0.77 0.00 0.00 66.41 66.86 1xbf h THR 21 Cb 1.30 -0.10 -0.05 0.00 -1.74 0.00 0.00 68.15 67.56 1xbf h THR 21 CO 0.15 0.18 0.64 0.78 0.37 0.00 0.00 175.52 177.64 1xbf h ASN 22 N 0.97 1.10 -0.41 4.18 2.35 -1.92 -1.28 115.58 120.57 1xbf h ASN 22 Ca 0.46 -0.02 -0.07 0.00 -0.55 0.00 0.00 56.30 56.11 1xbf h ASN 22 Cb 0.42 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.50 1xbf h ASN 22 CO -0.22 0.79 0.03 -0.07 -1.65 0.00 0.00 177.43 176.31 1xbf h LEU 23 N 1.29 0.75 -0.48 1.61 4.07 -1.38 -0.08 115.31 121.09 1xbf h LEU 23 Ca 0.36 -0.17 -0.17 0.00 0.08 0.00 0.00 57.88 57.99 1xbf h LEU 23 Cb -0.12 -0.20 -0.00 0.00 1.08 0.00 0.00 40.66 41.41 1xbf h LEU 23 CO -0.09 0.80 -0.58 0.58 -1.08 0.00 0.00 178.44 178.08 1xbf h VAL 24 N 0.74 1.32 -0.14 1.22 2.07 -0.77 -2.45 116.25 118.24 1xbf h VAL 24 Ca 0.15 -1.84 -0.15 0.00 0.82 0.00 0.00 66.70 65.68 1xbf h VAL 24 Cb 0.41 1.81 -0.01 0.00 -1.52 0.00 0.00 31.29 31.98 1xbf h VAL 24 CO 0.01 0.57 -0.55 0.11 0.02 0.00 0.00 177.57 177.73 1xbf h LYS 25 N 0.43 0.43 -0.60 1.57 1.57 -1.00 -2.05 116.57 116.93 1xbf h LYS 25 Ca 0.00 -0.27 -0.01 0.00 -1.87 0.00 0.00 60.65 58.51 1xbf h LYS 25 Cb 1.13 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 33.44 1xbf h LYS 25 CO 0.11 0.87 0.35 -0.22 -0.57 0.00 0.00 179.45 179.99 1xbf h LYS 26 N 0.33 0.81 -0.35 3.15 3.64 -0.88 -1.22 116.57 122.06 1xbf h LYS 26 Ca 0.01 -0.08 -0.07 0.00 -1.27 0.00 0.00 60.65 59.23 1xbf h LYS 26 Cb 1.07 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.70 1xbf h LYS 26 CO 0.10 0.60 -0.09 0.00 -2.27 0.00 0.00 179.45 177.78 1xbf h ALA 27 N 1.17 1.19 -0.40 5.00 0.00 -1.25 -2.04 119.26 122.93 1xbf h ALA 27 Ca 0.21 -0.27 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 1xbf h ALA 27 Cb -0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1xbf h ALA 27 CO -0.04 0.52 -0.15 0.28 0.00 0.00 0.00 179.25 179.87 1xbf h VAL 28 N 0.55 1.28 -0.01 0.00 2.07 -0.78 -2.31 116.25 117.04 1xbf h VAL 28 Ca 0.10 -1.26 -0.00 0.00 0.82 0.00 0.00 66.70 66.36 1xbf h VAL 28 Cb 0.49 1.26 -0.00 0.00 -1.52 0.00 0.00 31.29 31.52 1xbf h VAL 28 CO 0.03 0.42 0.00 0.44 0.02 0.00 0.00 177.57 178.48 1xbf h ASP 29 N 0.61 0.01 -0.44 0.57 3.32 -1.11 -2.45 116.42 116.93 1xbf h ASP 29 Ca 0.09 -0.29 0.13 0.00 0.02 0.00 0.00 57.03 56.99 1xbf h ASP 29 Cb 0.69 -0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.22 1xbf h ASP 29 CO 0.05 0.30 0.38 -0.33 -1.72 0.00 0.00 179.24 177.92 1xbf h GLU 30 N -0.27 0.00 0.00 3.56 4.39 -1.36 0.23 114.58 121.12 1xbf h GLU 30 Ca 0.00 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.53 1xbf h GLU 30 Cb 0.29 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.91 1xbf h GLU 30 CO 0.00 0.00 -0.95 0.66 -1.16 0.00 0.00 179.01 177.56 1xbf h SER 31 N 0.00 0.00 -0.01 1.42 4.64 -1.15 -3.48 113.55 114.97 1xbf h SER 31 Ca 0.21 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.53 1xbf h SER 31 Cb 0.97 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.06 1xbf h SER 31 CO -0.00 0.73 -0.00 0.61 -0.87 0.00 0.00 176.83 177.29 1xbf n GLY 32 N 1.33 0.35 3.70 -0.77 0.00 0.07 -4.98 105.19 104.89 1xbf n GLY 32 Ca -0.03 -0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 1xbf n GLY 32 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xbf s VAL 33 N -1.68 4.38 -0.06 1.61 1.01 -1.25 -4.95 120.40 119.46 1xbf s VAL 33 Ca 0.00 1.70 -0.09 0.00 0.00 0.00 0.00 61.98 63.59 1xbf s VAL 33 Cb 0.00 -4.09 -0.30 0.00 0.00 0.00 0.00 36.38 31.99 1xbf s VAL 33 CO 0.00 0.06 0.62 -1.28 0.00 0.00 0.00 175.10 174.50 1xbf h SER 34 N 7.12 0.56 -3.71 3.32 0.87 -1.93 -3.36 113.55 116.42 1xbf h SER 34 Ca -0.37 -0.90 -0.34 0.00 -1.23 0.00 0.00 61.79 58.95 1xbf h SER 34 Cb 1.18 -0.18 -0.31 0.00 -0.44 0.00 0.00 62.40 62.65 1xbf h SER 34 CO 0.84 1.77 -0.76 -1.81 -0.53 0.00 0.00 176.83 176.34 1xbf s ASP 35 N -7.21 0.61 0.00 6.23 1.11 -1.26 -0.30 116.67 115.85 1xbf s ASP 35 Ca -0.17 -0.08 0.00 0.00 0.18 0.00 0.00 52.55 52.48 1xbf s ASP 35 Cb 0.06 -0.18 0.00 0.00 1.07 0.00 0.00 42.92 43.86 1xbf s ASP 35 CO 0.84 -0.00 0.00 0.61 1.18 0.00 0.00 175.17 177.80 1xbf n GLY 36 N 3.46 -0.88 3.25 0.21 0.00 -0.74 -0.79 105.19 109.70 1xbf n GLY 36 Ca -0.19 0.41 -0.04 0.00 0.00 0.00 0.00 46.02 46.20 1xbf n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xbf s ALA 38 N -1.00 -1.60 -0.22 4.61 0.00 0.38 -0.98 121.76 122.95 1xbf s ALA 38 Ca 0.00 1.65 -0.08 0.00 0.00 0.00 0.00 51.96 53.53 1xbf s ALA 38 Cb 0.00 -1.70 -0.04 0.00 0.00 0.00 0.00 23.12 21.39 1xbf s ALA 38 CO 0.00 -1.04 0.08 0.08 0.00 0.00 0.00 175.76 174.88 1xbf s VAL 39 N 2.72 4.63 -0.26 0.00 1.01 0.50 -0.89 120.40 128.11 1xbf s VAL 39 Ca 0.05 -0.08 -0.05 0.00 0.00 0.00 0.00 61.98 61.90 1xbf s VAL 39 Cb -0.13 -3.13 -0.00 0.00 0.00 0.00 0.00 36.38 33.12 1xbf s VAL 39 CO -0.17 0.39 0.02 -0.69 0.00 0.00 0.00 175.10 174.66 1xbf s VAL 40 N 1.00 3.70 -0.05 2.92 1.01 -0.46 -0.63 120.40 127.89 1xbf s VAL 40 Ca 0.04 -0.58 0.06 0.00 0.00 0.00 0.00 61.98 61.50 1xbf s VAL 40 Cb -0.14 -2.81 -0.02 0.00 0.00 0.00 0.00 36.38 33.42 1xbf s VAL 40 CO 0.03 0.25 -0.24 0.12 0.00 0.00 0.00 175.10 175.26 1xbf s PHE 41 N 1.49 2.45 -0.31 5.22 2.19 0.66 -1.89 117.98 127.79 1xbf s PHE 41 Ca 0.04 -0.56 -0.07 0.00 0.33 0.00 0.00 56.93 56.67 1xbf s PHE 41 Cb -0.16 -1.58 0.02 0.00 -1.31 0.00 0.00 43.02 39.99 1xbf s PHE 41 CO -0.00 -0.11 0.09 0.00 1.83 0.00 0.00 175.22 177.03 1xbf n PRO 43 N 4.86 0.96 -4.29 0.00 -0.04 -1.26 -4.84 135.00 130.38 1xbf n PRO 43 Ca -0.14 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.02 1xbf n PRO 43 Cb 0.47 -1.36 -0.10 0.00 -0.04 0.00 0.00 33.50 32.47 1xbf n PRO 43 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1xbf s HIS 44 N -1.25 2.74 -2.35 0.54 3.76 -1.26 -5.02 115.29 112.44 1xbf s HIS 44 Ca 0.00 -0.15 0.25 0.00 -0.15 0.00 0.00 55.06 55.01 1xbf s HIS 44 Cb 0.00 -1.46 0.52 0.00 1.11 0.00 0.00 32.58 32.75 1xbf s HIS 44 CO 0.00 0.41 1.43 0.25 -0.85 0.00 0.00 174.74 175.97 1xbf n THR 45 N 0.87 0.00 -1.47 1.30 -2.24 -1.26 -3.95 114.28 107.53 1xbf n THR 45 Ca -0.14 -0.29 0.07 0.00 -2.27 0.00 0.00 64.05 61.42 1xbf n THR 45 Cb 0.52 0.91 0.16 0.00 -2.10 0.00 0.00 70.33 69.82 1xbf n THR 45 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1xbf n THR 46 N 0.25 1.83 -3.92 4.28 -2.24 -1.26 -4.21 114.28 109.01 1xbf n THR 46 Ca 0.14 -2.55 -0.08 0.00 -2.27 0.00 0.00 64.05 59.29 1xbf n THR 46 Cb 0.44 -0.12 -0.04 0.00 -2.10 0.00 0.00 70.33 68.52 1xbf n THR 46 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xbf s ALA 47 N -2.72 -0.75 0.00 6.98 0.00 -1.25 -2.73 121.76 121.28 1xbf s ALA 47 Ca 0.33 -0.57 0.00 0.00 0.00 0.00 0.00 51.96 51.73 1xbf s ALA 47 Cb 0.32 0.95 0.00 0.00 0.00 0.00 0.00 23.12 24.39 1xbf s ALA 47 CO -0.03 -0.94 0.00 0.41 0.00 0.00 0.00 175.76 175.20 1xbf n GLY 48 N -0.42 1.94 3.11 0.00 0.00 -0.75 -4.72 105.19 104.35 1xbf n GLY 48 Ca -0.03 -0.94 -0.23 0.00 0.00 0.00 0.00 46.02 44.82 1xbf n GLY 48 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xbf s ILE 49 N -2.86 1.18 0.13 -0.61 -1.09 -0.46 -0.32 121.20 117.17 1xbf s ILE 49 Ca 0.00 -0.63 -0.07 0.00 -2.23 0.00 0.00 60.65 57.72 1xbf s ILE 49 Cb 0.00 -0.99 -0.01 0.00 -1.58 0.00 0.00 42.46 39.88 1xbf s ILE 49 CO 0.00 0.34 0.20 0.28 -1.23 0.00 0.00 174.94 174.53 1xbf s THR 50 N -0.26 0.10 -0.13 2.92 -1.32 -0.70 -4.14 115.64 112.11 1xbf s THR 50 Ca 0.04 -1.43 0.02 0.00 -1.21 0.00 0.00 61.69 59.11 1xbf s THR 50 Cb -0.07 -1.70 0.01 0.00 -1.51 0.00 0.00 72.50 69.23 1xbf s THR 50 CO -0.00 -0.47 -0.20 -0.63 -2.21 0.00 0.00 174.62 171.11 1xbf s ILE 51 N -3.95 1.88 0.00 5.08 1.01 -1.26 -0.32 121.20 123.65 1xbf s ILE 51 Ca 0.14 -0.87 0.00 0.00 0.00 0.00 0.00 60.65 59.92 1xbf s ILE 51 Cb 0.05 -1.68 0.00 0.00 0.01 0.00 0.00 42.46 40.84 1xbf s ILE 51 CO -0.04 0.52 0.00 -3.20 0.00 0.00 0.00 174.94 172.22 1xbf n ASN 52 N 4.12 0.00 -4.66 3.58 2.85 -0.64 -4.95 115.26 115.55 1xbf n ASN 52 Ca -0.20 -0.77 -0.48 0.00 -0.11 0.00 0.00 54.58 53.02 1xbf n ASN 52 Cb 0.51 0.00 -0.05 0.00 1.24 0.00 0.00 39.78 41.49 1xbf n ASN 52 CO 0.00 0.00 0.00 1.21 -2.11 0.00 0.00 177.26 176.36 1xbf n GLU 53 N 0.00 1.92 0.02 1.20 4.07 -1.26 -0.16 120.64 126.43 1xbf n GLU 53 Ca 0.00 0.70 0.11 0.00 -0.06 0.00 0.00 57.16 57.91 1xbf n GLU 53 Cb 0.00 -2.46 0.00 0.00 -0.06 0.00 0.00 31.44 28.92 1xbf n GLU 53 CO 0.00 0.00 0.00 -1.71 -0.06 0.00 0.00 177.13 175.36 1xbf n ASN 54 N 4.20 0.60 0.00 4.31 2.85 0.11 -4.70 115.26 122.63 1xbf n ASN 54 Ca 0.19 -0.23 0.00 0.00 -0.11 0.00 0.00 54.58 54.43 1xbf n ASN 54 Cb 0.26 0.88 0.00 0.00 1.24 0.00 0.00 39.78 42.16 1xbf n ASN 54 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1xbf n ALA 55 N -1.84 0.00 -1.81 5.20 0.00 -1.26 -4.88 120.51 115.92 1xbf n ALA 55 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.04 1xbf n ALA 55 Cb 0.44 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.86 1xbf n ALA 55 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1xbf s ASP 56 N -1.43 6.48 0.00 0.00 3.68 -1.26 -4.88 116.67 119.25 1xbf s ASP 56 Ca 0.00 2.72 0.14 0.00 2.13 0.00 0.00 52.55 57.54 1xbf s ASP 56 Cb 0.00 -2.59 0.81 0.00 -1.45 0.00 0.00 42.92 39.69 1xbf s ASP 56 CO 0.00 -0.93 1.30 -0.81 0.13 0.00 0.00 175.17 174.86 1xbf n PRO 57 N 4.60 0.38 0.22 4.34 -0.04 -1.26 -2.35 135.00 140.88 1xbf n PRO 57 Ca 0.16 0.04 0.08 0.00 -0.04 0.00 0.00 63.50 63.74 1xbf n PRO 57 Cb 0.37 -1.50 0.47 0.00 -0.04 0.00 0.00 33.50 32.81 1xbf n PRO 57 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1xbf h ASP 58 N 0.00 0.00 -0.18 3.54 3.45 -1.99 -2.21 116.42 119.03 1xbf h ASP 58 Ca 0.00 0.00 -0.08 0.00 0.43 0.00 0.00 57.03 57.38 1xbf h ASP 58 Cb 0.03 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 38.80 1xbf h ASP 58 CO 0.00 0.27 -0.19 0.58 -1.57 0.00 0.00 179.24 178.34 1xbf h VAL 59 N 0.00 1.34 -0.16 -1.35 2.07 -1.85 -0.58 116.25 115.72 1xbf h VAL 59 Ca -0.00 -1.36 -0.11 0.00 0.82 0.00 0.00 66.70 66.05 1xbf h VAL 59 Cb 0.67 1.82 -0.01 0.00 -1.52 0.00 0.00 31.29 32.25 1xbf h VAL 59 CO 0.04 0.41 -0.37 0.71 0.02 0.00 0.00 177.57 178.38 1xbf h THR 60 N 0.09 1.29 -0.31 2.57 1.35 -1.73 -1.76 112.91 114.41 1xbf h THR 60 Ca 0.03 -1.44 -0.04 0.00 -0.55 0.00 0.00 66.41 64.41 1xbf h THR 60 Cb 0.73 1.58 -0.01 0.00 -1.73 0.00 0.00 68.15 68.72 1xbf h THR 60 CO 0.05 0.44 0.06 -0.09 -0.25 0.00 0.00 175.52 175.72 1xbf h ARG 61 N 0.28 0.51 -0.90 4.72 2.43 -1.31 -1.56 114.38 118.55 1xbf h ARG 61 Ca 0.03 -0.13 -0.02 0.00 -0.81 0.00 0.00 59.98 59.05 1xbf h ARG 61 Cb 0.78 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 30.22 1xbf h ARG 61 CO 0.06 0.60 0.50 -0.44 -1.51 0.00 0.00 179.97 179.18 1xbf h ASP 62 N 0.34 1.12 0.07 -3.80 3.32 -0.78 0.09 116.42 116.78 1xbf h ASP 62 Ca 0.10 -0.09 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 1xbf h ASP 62 Cb 0.33 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.60 1xbf h ASP 62 CO 0.00 0.89 -0.03 0.40 -1.72 0.00 0.00 179.24 178.78 1xbf h ILE 63 N 1.26 1.06 0.29 0.35 2.04 -1.16 -1.25 117.51 120.09 1xbf h ILE 63 Ca 0.32 -0.40 -0.01 0.00 1.00 0.00 0.00 64.86 65.76 1xbf h ILE 63 Cb 0.01 1.32 0.00 0.00 -0.74 0.00 0.00 36.82 37.42 1xbf h ILE 63 CO -0.05 0.10 -0.14 -0.07 0.00 0.00 0.00 178.15 177.99 1xbf h LEU 64 N -0.27 -0.33 -0.57 1.44 3.38 -1.07 0.76 115.31 118.65 1xbf h LEU 64 Ca -0.01 0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.03 1xbf h LEU 64 Cb 0.23 0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.02 1xbf h LEU 64 CO 0.01 -0.23 0.28 0.58 0.09 0.00 0.00 178.44 179.17 1xbf h VAL 65 N -0.40 0.92 0.00 1.22 2.07 -1.01 -0.02 116.25 119.03 1xbf h VAL 65 Ca -0.04 -0.18 -0.14 0.00 0.82 0.00 0.00 66.70 67.17 1xbf h VAL 65 Cb 0.30 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 1xbf h VAL 65 CO 0.07 0.09 -0.64 0.78 0.02 0.00 0.00 177.57 177.89 1xbf h ASN 66 N 0.52 0.00 -0.23 0.57 2.35 -1.10 -0.62 115.58 117.07 1xbf h ASN 66 Ca 0.26 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.88 1xbf h ASN 66 Cb 0.20 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.56 1xbf h ASN 66 CO -0.20 0.64 -0.31 -0.07 -1.65 0.00 0.00 177.43 175.85 1xbf h LEU 67 N 0.00 0.76 -0.86 1.61 3.38 -0.31 -2.42 115.31 117.47 1xbf h LEU 67 Ca -0.01 -0.31 -0.08 0.00 0.09 0.00 0.00 57.88 57.57 1xbf h LEU 67 Cb 1.21 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.73 1xbf h LEU 67 CO 0.08 1.02 -0.05 -0.78 0.09 0.00 0.00 178.44 178.80 1xbf h ASP 68 N 0.62 0.77 -0.57 -0.43 3.58 -0.73 -1.27 116.42 118.39 1xbf h ASP 68 Ca 0.07 -0.21 -0.04 0.00 0.42 0.00 0.00 57.03 57.28 1xbf h ASP 68 Cb 0.83 -0.21 -0.02 0.00 1.72 0.00 0.00 39.33 41.65 1xbf h ASP 68 CO 0.07 0.87 0.21 0.50 -2.88 0.00 0.00 179.24 178.00 1xbf h LYS 69 N 0.73 0.87 0.02 0.28 3.64 -0.76 -2.14 116.57 119.20 1xbf h LYS 69 Ca 0.13 -0.17 -0.20 0.00 -1.27 0.00 0.00 60.65 59.14 1xbf h LYS 69 Cb 0.52 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.19 1xbf h LYS 69 CO 0.03 0.76 -0.92 0.28 -2.27 0.00 0.00 179.45 177.33 1xbf h VAL 70 N 0.79 1.55 -2.55 2.00 2.07 -1.33 -3.38 116.25 115.41 1xbf h VAL 70 Ca 0.19 -2.84 -0.60 0.00 0.82 0.00 0.00 66.70 64.27 1xbf h VAL 70 Cb 0.24 2.59 -0.40 0.00 -1.52 0.00 0.00 31.29 32.19 1xbf h VAL 70 CO -0.01 0.82 -0.80 0.49 0.02 0.00 0.00 177.57 178.09 1xbf n PHE 71 N -3.58 1.28 -0.76 1.57 3.72 -0.49 -5.12 117.46 114.08 1xbf n PHE 71 Ca -0.03 -3.82 -0.31 0.00 -0.05 0.00 0.00 57.45 53.25 1xbf n PHE 71 Cb 0.85 -0.25 0.17 0.00 -0.94 0.00 0.00 39.48 39.30 1xbf n PHE 71 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 1xbf s PRO 72 N -1.01 0.92 0.33 -1.08 0.04 -0.81 -4.57 135.00 128.82 1xbf s PRO 72 Ca 0.31 1.39 0.05 0.00 0.04 0.00 0.00 61.00 62.79 1xbf s PRO 72 Cb 0.04 -1.73 0.57 0.00 0.04 0.00 0.00 34.50 33.42 1xbf s PRO 72 CO -0.15 -2.64 1.83 -0.22 0.04 0.00 0.00 177.00 175.85 1xbf h LYS 73 N -1.87 0.45 -5.75 4.56 3.64 -1.95 -3.42 116.57 112.22 1xbf h LYS 73 Ca -0.46 -0.12 -0.66 0.00 -1.27 0.00 0.00 60.65 58.14 1xbf h LYS 73 Cb 1.27 -0.05 -0.21 0.00 -0.41 0.00 0.00 32.23 32.83 1xbf h LYS 73 CO 0.44 0.57 -0.69 0.14 -2.27 0.00 0.00 179.45 177.64 1xbf s VAL 74 N -4.75 3.72 -2.30 2.00 -7.23 -1.26 -4.80 120.40 105.78 1xbf s VAL 74 Ca -0.07 -0.45 0.00 0.00 -1.81 0.00 0.00 61.98 59.65 1xbf s VAL 74 Cb 0.15 -2.57 0.00 0.00 0.56 0.00 0.00 36.38 34.52 1xbf s VAL 74 CO 0.77 0.55 0.00 0.61 -0.31 0.00 0.00 175.10 176.72 1xbf n GLY 75 N 2.82 -0.63 2.86 2.32 0.00 -1.26 -5.03 105.19 106.27 1xbf n GLY 75 Ca -0.18 -0.59 -0.42 0.00 0.00 0.00 0.00 46.02 44.84 1xbf n GLY 75 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1xbf n ASP 76 N 0.00 3.56 -4.07 1.61 2.03 -1.26 -4.87 116.55 113.55 1xbf n ASP 76 Ca 0.00 -2.74 -0.32 0.00 0.52 0.00 0.00 54.79 52.25 1xbf n ASP 76 Cb 0.00 -1.40 -0.15 0.00 -0.72 0.00 0.00 41.12 38.85 1xbf n ASP 76 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 1xbf s TYR 77 N 3.93 3.09 -0.20 -0.67 2.02 -1.26 -4.95 117.35 119.30 1xbf s TYR 77 Ca 0.52 -2.13 0.29 0.00 -0.37 0.00 0.00 57.07 55.38 1xbf s TYR 77 Cb 0.14 -1.90 1.13 0.00 -0.40 0.00 0.00 41.96 40.93 1xbf s TYR 77 CO 0.00 -0.85 1.85 0.87 -1.57 0.00 0.00 175.55 175.84 1xbf h LYS 78 N 7.82 0.00 -4.42 -0.62 1.57 -2.04 -3.28 116.57 115.59 1xbf h LYS 78 Ca -0.25 0.00 -0.73 0.00 -1.87 0.00 0.00 60.65 57.80 1xbf h LYS 78 Cb 1.06 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 33.24 1xbf h LYS 78 CO 0.49 0.00 1.91 1.58 -0.57 0.00 0.00 179.45 182.87 1xbf n HIS 79 N -2.71 4.09 0.00 -1.35 -0.00 -1.26 -4.81 115.22 109.18 1xbf n HIS 79 Ca 0.02 -3.05 0.00 0.00 0.46 0.00 0.00 57.72 55.15 1xbf n HIS 79 Cb 0.30 -2.22 0.00 0.00 -0.12 0.00 0.00 29.99 27.95 1xbf n HIS 79 CO 0.00 0.00 0.00 1.33 0.46 0.00 0.00 176.34 178.13 1xbf n VAL 80 N 4.51 0.00 0.30 3.57 0.24 -1.24 -3.11 118.33 122.61 1xbf n VAL 80 Ca 0.41 0.00 0.17 0.00 -2.04 0.00 0.00 64.34 62.89 1xbf n VAL 80 Cb 0.41 -0.75 0.78 0.00 -1.47 0.00 0.00 33.84 32.81 1xbf n VAL 80 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 1xbf h GLU 81 N 0.00 0.00 0.00 7.34 5.08 -1.91 -3.47 114.58 121.62 1xbf h GLU 81 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1xbf h GLU 81 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1xbf h GLU 81 CO 0.00 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.42 1xbf n GLY 82 N -0.31 0.74 0.69 -3.84 0.00 -1.18 -4.95 105.19 96.34 1xbf n GLY 82 Ca -0.00 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.07 1xbf n GLY 82 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1xbf n ASN 83 N 0.00 1.42 0.01 1.61 6.94 -1.26 -4.72 115.26 119.27 1xbf n ASN 83 Ca 0.00 -2.97 -0.03 0.00 -0.02 0.00 0.00 54.58 51.57 1xbf n ASN 83 Cb 0.00 -0.40 0.22 0.00 -2.36 0.00 0.00 39.78 37.24 1xbf n ASN 83 CO 0.00 0.00 0.00 -1.28 -1.03 0.00 0.00 177.26 174.95 1xbf h SER 84 N 0.62 0.48 -0.06 0.53 0.87 -1.91 -1.74 113.55 112.35 1xbf h SER 84 Ca -0.06 -0.15 -0.03 0.00 -1.23 0.00 0.00 61.79 60.32 1xbf h SER 84 Cb 1.28 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 63.10 1xbf h SER 84 CO 0.02 0.69 -0.04 1.12 -0.53 0.00 0.00 176.83 178.09 1xbf h HIS 85 N 0.44 0.27 -0.20 2.24 2.07 -1.84 -1.58 115.15 116.55 1xbf h HIS 85 Ca 0.07 -0.02 -0.15 0.00 -2.85 0.00 0.00 60.37 57.43 1xbf h HIS 85 Cb 0.59 -0.08 -0.01 0.00 2.57 0.00 0.00 27.41 30.48 1xbf h HIS 85 CO 0.02 0.32 -0.49 0.00 -3.07 0.00 0.00 177.93 174.71 1xbf h ALA 86 N 1.71 0.78 -0.53 6.11 0.00 -1.58 -2.34 119.26 123.41 1xbf h ALA 86 Ca 0.06 -0.48 -0.08 0.00 0.00 0.00 0.00 54.91 54.41 1xbf h ALA 86 Cb 0.25 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1xbf h ALA 86 CO 0.01 0.67 0.01 0.45 0.00 0.00 0.00 179.25 180.39 1xbf h HIS 87 N 0.42 0.97 -0.00 0.00 3.86 -0.91 -0.64 115.15 118.83 1xbf h HIS 87 Ca 0.02 -0.15 -0.00 0.00 -1.16 0.00 0.00 60.37 59.08 1xbf h HIS 87 Cb 1.01 -0.26 -0.00 0.00 1.06 0.00 0.00 27.41 29.22 1xbf h HIS 87 CO 0.04 0.87 -0.00 0.82 0.86 0.00 0.00 177.93 180.52 1xbf h ILE 88 N 0.84 1.27 -0.17 2.45 2.04 -1.22 -2.71 117.51 120.01 1xbf h ILE 88 Ca 0.16 -0.80 -0.03 0.00 1.00 0.00 0.00 64.86 65.19 1xbf h ILE 88 Cb 0.49 1.81 -0.01 0.00 -0.74 0.00 0.00 36.82 38.37 1xbf h ILE 88 CO 0.02 0.21 -0.05 0.11 0.00 0.00 0.00 178.15 178.44 1xbf h LYS 89 N -0.34 0.25 -0.07 2.37 1.57 -1.34 -1.70 116.57 117.32 1xbf h LYS 89 Ca 0.00 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1xbf h LYS 89 Cb 0.34 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.60 1xbf h LYS 89 CO 0.00 0.32 0.03 0.00 -0.57 0.00 0.00 179.45 179.23 1xbf h ALA 90 N 1.71 0.09 -0.23 3.86 0.00 -1.01 -2.58 119.26 121.10 1xbf h ALA 90 Ca 0.06 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1xbf h ALA 90 Cb 0.25 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1xbf h ALA 90 CO 0.01 -0.35 -0.03 0.77 0.00 0.00 0.00 179.25 179.64 1xbf h SER 91 N -0.00 0.32 0.00 0.00 0.02 -1.09 -0.74 113.55 112.05 1xbf h SER 91 Ca 0.02 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 1xbf h SER 91 Cb 0.11 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.57 1xbf h SER 91 CO -0.00 0.40 0.00 0.18 -1.14 0.00 0.00 176.83 176.27 1xbf n LEU 92 N -4.32 0.32 -3.52 5.07 4.77 -0.69 -4.80 117.00 113.84 1xbf n LEU 92 Ca 0.00 -0.16 -0.17 0.00 -0.03 0.00 0.00 56.01 55.65 1xbf n LEU 92 Cb 0.22 -0.16 -0.06 0.00 -2.33 0.00 0.00 43.42 41.10 1xbf n LEU 92 CO 0.38 0.08 0.41 -0.83 -1.33 0.00 0.00 177.39 176.10 1xbf s GLY 94 N -0.75 -0.56 0.10 -0.72 0.00 -0.28 -5.10 107.32 100.01 1xbf s GLY 94 Ca 0.00 1.13 0.27 0.00 0.00 0.00 0.00 44.72 46.12 1xbf s GLY 94 CO 0.00 0.78 1.70 -1.14 0.00 0.00 0.00 173.10 174.44 1xbf n SER 95 N 0.72 0.50 -3.62 1.64 3.41 -1.26 -1.35 113.62 113.66 1xbf n SER 95 Ca -0.19 0.36 -0.08 0.00 -0.26 0.00 0.00 58.87 58.70 1xbf n SER 95 Cb 0.58 -0.39 -0.02 0.00 -0.26 0.00 0.00 64.21 64.12 1xbf n SER 95 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1xbf s SER 96 N -3.80 -0.37 -0.00 4.04 1.04 -1.26 -0.55 113.70 112.80 1xbf s SER 96 Ca 0.11 -0.24 -0.13 0.00 0.48 0.00 0.00 55.95 56.17 1xbf s SER 96 Cb 0.15 0.57 0.02 0.00 0.10 0.00 0.00 66.02 66.86 1xbf s SER 96 CO 0.61 -0.99 0.26 -1.10 0.98 0.00 0.00 173.24 173.01 1xbf s GLN 97 N -3.58 0.64 0.09 4.02 -1.52 -0.79 -4.88 119.66 113.64 1xbf s GLN 97 Ca 0.07 -0.29 0.08 0.00 -1.95 0.00 0.00 55.36 53.27 1xbf s GLN 97 Cb -0.02 0.28 -0.03 0.00 -0.22 0.00 0.00 33.01 33.01 1xbf s GLN 97 CO -0.04 -0.17 -0.21 1.14 -0.25 0.00 0.00 175.29 175.76 1xbf s GLN 98 N -1.50 1.19 -0.03 2.91 -2.07 -1.26 -1.36 119.66 117.54 1xbf s GLN 98 Ca -0.13 -1.10 0.03 0.00 -1.82 0.00 0.00 55.36 52.35 1xbf s GLN 98 Cb -0.05 -1.41 -0.00 0.00 -1.09 0.00 0.00 33.01 30.46 1xbf s GLN 98 CO 0.03 0.34 -0.12 0.42 -1.32 0.00 0.00 175.29 174.63 1xbf s ILE 99 N -1.06 1.03 0.29 3.63 1.09 -0.07 -4.97 121.20 121.13 1xbf s ILE 99 Ca 0.07 -0.51 -0.29 0.00 -1.10 0.00 0.00 60.65 58.81 1xbf s ILE 99 Cb -0.10 -0.88 -0.10 0.00 -1.06 0.00 0.00 42.46 40.32 1xbf s ILE 99 CO 0.04 0.30 1.15 -0.63 -0.10 0.00 0.00 174.94 175.70 1xbf s ILE 100 N -0.00 3.29 -0.25 2.92 1.01 -1.26 -0.47 121.20 126.44 1xbf s ILE 100 Ca -0.01 1.30 -0.07 0.00 0.00 0.00 0.00 60.65 61.87 1xbf s ILE 100 Cb -0.08 -3.83 -0.02 0.00 0.01 0.00 0.00 42.46 38.54 1xbf s ILE 100 CO 0.01 0.31 0.05 -0.63 0.00 0.00 0.00 174.94 174.68 1xbf s ILE 101 N -1.13 4.16 -0.09 2.92 1.01 -0.16 -0.26 121.20 127.66 1xbf s ILE 101 Ca 0.46 -0.23 -0.00 0.00 0.00 0.00 0.00 60.65 60.88 1xbf s ILE 101 Cb -0.34 -2.94 0.02 0.00 0.01 0.00 0.00 42.46 39.21 1xbf s ILE 101 CO 0.44 0.35 -0.06 -0.70 0.00 0.00 0.00 174.94 174.97 1xbf s GLU 102 N 1.59 1.23 -1.38 2.79 2.12 0.55 -1.80 118.70 123.80 1xbf s GLU 102 Ca 0.06 -0.17 -0.07 0.00 0.36 0.00 0.00 54.97 55.15 1xbf s GLU 102 Cb -0.15 -1.30 0.03 0.00 0.26 0.00 0.00 34.13 32.97 1xbf s GLU 102 CO 0.03 -0.20 0.98 0.09 -0.54 0.00 0.00 175.26 175.61 1xbf n ASN 103 N 4.68 -4.01 0.00 -1.70 4.13 0.53 -1.39 115.26 117.50 1xbf n ASN 103 Ca -0.15 -0.70 0.00 0.00 1.68 0.00 0.00 54.58 55.42 1xbf n ASN 103 Cb 0.50 -4.44 0.00 0.00 -1.54 0.00 0.00 39.78 34.30 1xbf n ASN 103 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1xbf n GLY 104 N -1.67 0.34 3.29 7.41 0.00 0.58 -4.99 105.19 110.15 1xbf n GLY 104 Ca -0.10 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.69 1xbf n GLY 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xbf s LYS 105 N -0.82 1.14 -0.07 1.61 1.02 -0.48 -4.84 119.74 117.30 1xbf s LYS 105 Ca 0.00 -1.20 -0.30 0.00 0.02 0.00 0.00 55.97 54.49 1xbf s LYS 105 Cb 0.00 -1.36 -0.04 0.00 -0.52 0.00 0.00 37.83 35.90 1xbf s LYS 105 CO 0.00 0.31 1.40 -0.51 -0.92 0.00 0.00 175.35 175.63 1xbf s LEU 106 N -2.05 4.27 -1.26 3.17 1.43 -1.26 -0.33 118.68 122.65 1xbf s LEU 106 Ca 0.08 1.99 -0.15 0.00 -1.03 0.00 0.00 54.13 55.02 1xbf s LEU 106 Cb -0.09 -3.55 0.13 0.00 0.03 0.00 0.00 46.19 42.71 1xbf s LEU 106 CO 0.05 -0.77 1.63 1.17 0.23 0.00 0.00 176.35 178.66 1xbf n LYS 107 N 6.14 3.30 -4.47 1.70 4.81 0.64 -4.91 118.16 125.37 1xbf n LYS 107 Ca 0.14 -3.55 -0.22 0.00 -0.87 0.00 0.00 58.31 53.81 1xbf n LYS 107 Cb 0.44 -3.20 -0.11 0.00 0.02 0.00 0.00 35.03 32.18 1xbf n LYS 107 CO 0.00 0.00 0.00 -0.48 1.17 0.00 0.00 177.40 178.09 1xbf s LEU 108 N 2.36 2.30 0.93 3.14 0.05 -1.26 -4.57 118.68 121.62 1xbf s LEU 108 Ca 0.47 -1.36 -0.10 0.00 0.05 0.00 0.00 54.13 53.18 1xbf s LEU 108 Cb 0.02 -0.47 0.13 0.00 -2.05 0.00 0.00 46.19 43.82 1xbf s LEU 108 CO 0.02 -0.57 1.03 0.61 -0.55 0.00 0.00 176.35 176.89 1xbf n GLY 109 N -0.72 -0.66 0.35 -3.48 0.00 -1.26 -4.89 105.19 94.52 1xbf n GLY 109 Ca -0.03 -0.73 -0.09 0.00 0.00 0.00 0.00 46.02 45.18 1xbf n GLY 109 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1xbf h THR 110 N -1.86 0.22 -0.87 2.61 2.02 -2.01 -2.41 112.91 110.61 1xbf h THR 110 Ca -0.43 0.00 -0.60 0.00 0.77 0.00 0.00 66.41 66.15 1xbf h THR 110 Cb 1.27 0.22 -0.37 0.00 -1.74 0.00 0.00 68.15 67.52 1xbf h THR 110 CO 0.40 0.00 -0.15 0.79 0.37 0.00 0.00 175.52 176.93 1xbf n TRP 111 N -5.42 2.95 -3.56 3.16 7.02 -1.26 -4.94 117.44 115.39 1xbf n TRP 111 Ca -0.00 -2.55 -0.41 0.00 -1.02 0.00 0.00 57.50 53.52 1xbf n TRP 111 Cb 0.34 -0.78 -0.11 0.00 -2.42 0.00 0.00 31.31 28.34 1xbf n TRP 111 CO 0.00 0.00 0.00 -1.14 -2.02 0.00 0.00 177.69 174.53 1xbf s GLN 112 N -3.69 2.95 0.26 -0.99 0.74 -0.91 0.08 119.66 118.10 1xbf s GLN 112 Ca 0.56 -1.00 0.09 0.00 0.05 0.00 0.00 55.36 55.06 1xbf s GLN 112 Cb 0.45 -3.79 -0.04 0.00 1.10 0.00 0.00 33.01 30.73 1xbf s GLN 112 CO 0.01 -0.67 0.01 0.20 -0.55 0.00 0.00 175.29 174.29 1xbf s GLY 113 N 1.60 1.64 -0.23 2.59 0.00 0.77 -4.62 107.32 109.08 1xbf s GLY 113 Ca 0.03 -1.62 -0.12 0.00 0.00 0.00 0.00 44.72 43.01 1xbf s GLY 113 CO 0.08 -1.68 0.24 -0.42 0.00 0.00 0.00 173.10 171.32 1xbf s ILE 114 N -2.26 5.31 0.04 0.90 1.01 -1.26 -1.63 121.20 123.31 1xbf s ILE 114 Ca 0.31 0.35 0.07 0.00 0.00 0.00 0.00 60.65 61.38 1xbf s ILE 114 Cb -0.07 -3.58 -0.03 0.00 0.01 0.00 0.00 42.46 38.80 1xbf s ILE 114 CO 0.20 0.31 -0.17 -0.31 0.00 0.00 0.00 174.94 174.97 1xbf s TYR 115 N 1.15 2.58 -0.28 3.97 2.02 0.57 -0.22 117.35 127.14 1xbf s TYR 115 Ca 0.11 -0.24 -0.13 0.00 -0.37 0.00 0.00 57.07 56.44 1xbf s TYR 115 Cb -0.14 -1.47 -0.04 0.00 -0.40 0.00 0.00 41.96 39.91 1xbf s TYR 115 CO 0.06 0.26 0.27 0.12 -1.57 0.00 0.00 175.55 174.68 1xbf s PHE 116 N -0.93 3.23 -0.48 2.71 2.19 0.01 -1.73 117.98 122.99 1xbf s PHE 116 Ca 0.15 0.21 -0.16 0.00 0.33 0.00 0.00 56.93 57.46 1xbf s PHE 116 Cb -0.11 -2.47 0.07 0.00 -1.31 0.00 0.00 43.02 39.21 1xbf s PHE 116 CO 0.05 -0.20 0.41 0.95 1.83 0.00 0.00 175.22 178.27 1xbf s THR 117 N 1.89 5.21 -0.22 0.12 -4.23 0.57 -1.13 115.64 117.84 1xbf s THR 117 Ca 0.10 -1.04 -0.19 0.00 -1.18 0.00 0.00 61.69 59.39 1xbf s THR 117 Cb -0.16 -4.15 -0.03 0.00 1.34 0.00 0.00 72.50 69.51 1xbf s THR 117 CO 0.11 -0.60 0.54 -0.70 -0.54 0.00 0.00 174.62 173.42 1xbf s GLU 118 N 1.71 4.15 0.00 3.99 2.56 0.21 -1.82 118.70 129.51 1xbf s GLU 118 Ca 0.05 0.43 0.01 0.00 0.00 0.00 0.00 54.97 55.46 1xbf s GLU 118 Cb -0.24 -3.59 0.04 0.00 2.00 0.00 0.00 34.13 32.33 1xbf s GLU 118 CO 0.07 -0.24 0.97 1.19 -0.56 0.00 0.00 175.26 176.70 1xbf n PHE 119 N 5.10 0.06 -2.70 5.30 3.72 -1.11 -0.62 117.46 127.21 1xbf n PHE 119 Ca -0.04 -0.44 -0.06 0.00 -0.05 0.00 0.00 57.45 56.87 1xbf n PHE 119 Cb 0.50 -0.04 0.10 0.00 -0.94 0.00 0.00 39.48 39.10 1xbf n PHE 119 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1xbf n ASP 120 N -0.30 -0.93 -4.36 4.37 2.03 -0.46 -4.59 116.55 112.32 1xbf n ASP 120 Ca 0.02 -2.43 -0.25 0.00 0.52 0.00 0.00 54.79 52.64 1xbf n ASP 120 Cb 0.24 0.55 0.15 0.00 -0.72 0.00 0.00 41.12 41.34 1xbf n ASP 120 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1xbf n GLY 121 N -0.67 -0.02 3.73 0.27 0.00 0.13 -4.65 105.19 103.98 1xbf n GLY 121 Ca -0.03 -1.93 -0.41 0.00 0.00 0.00 0.00 46.02 43.65 1xbf n GLY 121 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1xbf s PRO 122 N -5.37 4.64 0.19 1.61 0.04 -1.20 -3.92 135.00 130.99 1xbf s PRO 122 Ca 0.69 1.36 -0.12 0.00 0.04 0.00 0.00 61.00 62.98 1xbf s PRO 122 Cb -0.03 -3.38 0.00 0.00 0.04 0.00 0.00 34.50 31.12 1xbf s PRO 122 CO 0.47 0.20 0.39 1.03 0.04 0.00 0.00 177.00 179.12 1xbf s ARG 123 N 0.11 1.30 -0.43 4.56 0.52 -1.23 -4.98 118.95 118.81 1xbf s ARG 123 Ca 0.46 -1.12 -0.18 0.00 -0.52 0.00 0.00 55.73 54.36 1xbf s ARG 123 Cb -0.22 0.43 0.03 0.00 0.52 0.00 0.00 34.95 35.70 1xbf s ARG 123 CO 0.28 -0.51 0.48 -0.51 0.02 0.00 0.00 175.30 175.05 1xbf s ASP 124 N -2.96 6.21 0.44 0.23 1.01 -1.26 -1.90 116.67 118.44 1xbf s ASP 124 Ca 0.17 -0.66 0.07 0.00 0.71 0.00 0.00 52.55 52.84 1xbf s ASP 124 Cb 0.01 -2.24 -0.02 0.00 1.01 0.00 0.00 42.92 41.68 1xbf s ASP 124 CO 0.02 -0.63 0.34 -0.13 0.21 0.00 0.00 175.17 174.97 1xbf s ARG 125 N 2.25 2.41 0.13 8.23 1.81 0.34 -4.93 118.95 129.20 1xbf s ARG 125 Ca 0.14 -1.68 0.05 0.00 -1.72 0.00 0.00 55.73 52.51 1xbf s ARG 125 Cb -0.17 -2.24 -0.04 0.00 -0.45 0.00 0.00 34.95 32.05 1xbf s ARG 125 CO 0.14 -0.24 -0.11 0.15 -0.68 0.00 0.00 175.30 174.55 1xbf s LYS 126 N -4.10 1.02 -0.11 3.54 -0.14 -1.26 0.23 119.74 118.92 1xbf s LYS 126 Ca 0.45 -1.35 -0.05 0.00 -1.36 0.00 0.00 55.97 53.65 1xbf s LYS 126 Cb -0.01 -0.69 0.05 0.00 -1.68 0.00 0.00 37.83 35.49 1xbf s LYS 126 CO 0.26 0.10 0.25 0.54 -0.76 0.00 0.00 175.35 175.74 1xbf s VAL 127 N -2.87 -0.04 -0.12 3.17 0.11 -0.88 -4.40 120.40 115.38 1xbf s VAL 127 Ca 0.13 0.15 -0.08 0.00 -2.93 0.00 0.00 61.98 59.25 1xbf s VAL 127 Cb -0.00 -0.38 -0.04 0.00 -1.53 0.00 0.00 36.38 34.42 1xbf s VAL 127 CO 0.01 0.06 0.16 -0.36 -3.33 0.00 0.00 175.10 171.64 1xbf s PHE 128 N 1.26 3.60 -0.14 1.54 0.08 0.46 -1.72 117.98 123.06 1xbf s PHE 128 Ca -0.09 0.55 -0.00 0.00 0.12 0.00 0.00 56.93 57.50 1xbf s PHE 128 Cb -0.10 -1.97 0.03 0.00 -0.57 0.00 0.00 43.02 40.40 1xbf s PHE 128 CO -0.09 0.72 -0.09 0.08 -0.10 0.00 0.00 175.22 175.74 1xbf s VAL 129 N -0.97 1.21 -0.15 -0.44 1.01 -0.90 -0.24 120.40 119.92 1xbf s VAL 129 Ca 0.15 -0.47 0.01 0.00 0.00 0.00 0.00 61.98 61.67 1xbf s VAL 129 Cb -0.12 -1.23 -0.00 0.00 0.00 0.00 0.00 36.38 35.03 1xbf s VAL 129 CO 0.04 0.33 -0.17 -0.75 0.00 0.00 0.00 175.10 174.56 1xbf s LYS 130 N 1.62 3.18 -0.28 2.72 2.20 0.20 -2.58 119.74 126.79 1xbf s LYS 130 Ca 0.04 -0.78 -0.12 0.00 -0.36 0.00 0.00 55.97 54.76 1xbf s LYS 130 Cb -0.13 -2.56 -0.05 0.00 -1.51 0.00 0.00 37.83 33.58 1xbf s LYS 130 CO -0.09 0.04 0.22 0.42 -0.36 0.00 0.00 175.35 175.58 1xbf s ILE 131 N 0.73 5.29 -0.50 5.43 -1.09 -1.26 -0.37 121.20 129.43 1xbf s ILE 131 Ca -0.07 0.21 -0.17 0.00 -2.23 0.00 0.00 60.65 58.39 1xbf s ILE 131 Cb -0.16 -3.57 0.07 0.00 -1.58 0.00 0.00 42.46 37.23 1xbf s ILE 131 CO 0.01 0.22 0.52 -0.63 -1.23 0.00 0.00 174.94 173.83 1xbf s ILE 132 N 1.81 5.06 0.67 2.92 -1.09 -1.26 -5.02 121.20 124.29 1xbf s ILE 132 Ca 0.08 -0.86 -0.17 0.00 -2.23 0.00 0.00 60.65 57.47 1xbf s ILE 132 Cb -0.16 -4.23 0.00 0.00 -1.58 0.00 0.00 42.46 36.49 1xbf s ILE 132 CO 0.11 -0.73 1.23 -0.22 -1.23 0.00 0.00 174.94 174.10 1xbf s LEU 133 N 2.11 3.49 0.00 2.97 2.96 -1.26 -4.23 118.68 124.71 1xbf s LEU 133 Ca 0.09 2.43 0.00 0.00 -0.22 0.00 0.00 54.13 56.43 1xbf s LEU 133 Cb -0.23 -4.60 0.00 0.00 0.50 0.00 0.00 46.19 41.87 1xbf s LEU 133 CO 0.08 -1.99 0.00 1.21 -1.32 0.00 0.00 176.35 174.34