#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p6o n GLY 4 N 0.00 1.16 1.68 3.38 0.00 -1.26 -1.32 105.19 108.84 1p6o n GLY 4 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.61 1p6o n GLY 4 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p6o n GLY 5 N -1.34 1.54 3.76 -0.02 0.00 -1.26 -5.02 105.19 102.86 1p6o n GLY 5 Ca -0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.48 1p6o n GLY 5 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1p6o s MET 6 N -0.44 4.24 0.65 1.61 1.00 -0.43 -4.98 119.30 120.95 1p6o s MET 6 Ca 0.00 2.36 -0.18 0.00 0.00 0.00 0.00 55.69 57.88 1p6o s MET 6 Cb 0.00 -3.06 -0.01 0.00 0.00 0.00 0.00 34.83 31.76 1p6o s MET 6 CO 0.00 -0.40 1.24 0.00 0.00 0.00 0.00 175.02 175.86 1p6o s ALA 7 N -0.55 2.38 0.38 3.03 0.00 -1.26 -4.76 121.76 120.98 1p6o s ALA 7 Ca 0.55 1.05 -0.24 0.00 0.00 0.00 0.00 51.96 53.32 1p6o s ALA 7 Cb -0.43 -3.49 -0.09 0.00 0.00 0.00 0.00 23.12 19.10 1p6o s ALA 7 CO 0.50 -1.50 1.01 0.45 0.00 0.00 0.00 175.76 176.23 1p6o s SER 8 N -1.63 6.92 0.62 0.00 0.15 -1.26 -4.95 113.70 113.55 1p6o s SER 8 Ca 0.79 1.95 0.32 0.00 0.70 0.00 0.00 55.95 59.71 1p6o s SER 8 Cb -0.33 -2.58 1.83 0.00 -1.71 0.00 0.00 66.02 63.23 1p6o s SER 8 CO 0.38 -0.37 2.15 0.07 1.20 0.00 0.00 173.24 176.67 1p6o h LYS 9 N 2.61 0.00 -0.05 5.44 2.10 -1.99 -1.58 116.57 123.11 1p6o h LYS 9 Ca -0.48 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.17 1p6o h LYS 9 Cb 1.21 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.54 1p6o h LYS 9 CO 0.63 0.00 0.00 0.91 -2.00 0.00 0.00 179.45 178.99 1p6o n TRP 10 N -3.54 0.04 0.09 0.07 7.02 -1.26 -4.54 117.44 115.32 1p6o n TRP 10 Ca -0.00 -0.02 -0.05 0.00 -1.02 0.00 0.00 57.50 56.40 1p6o n TRP 10 Cb 0.25 0.00 0.10 0.00 -2.42 0.00 0.00 31.31 29.24 1p6o n TRP 10 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 1p6o h ASP 11 N 3.01 0.22 -0.49 -0.99 3.32 -1.67 -1.01 116.42 118.80 1p6o h ASP 11 Ca 0.00 -0.14 -0.07 0.00 0.02 0.00 0.00 57.03 56.84 1p6o h ASP 11 Cb 0.64 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 40.11 1p6o h ASP 11 CO 0.00 0.83 0.05 -0.61 -1.72 0.00 0.00 179.24 177.78 1p6o h GLN 12 N 0.13 0.84 -0.77 3.56 5.75 -1.80 -1.58 115.11 121.25 1p6o h GLN 12 Ca -0.01 -0.24 0.01 0.00 -0.15 0.00 0.00 58.65 58.25 1p6o h GLN 12 Cb 1.20 -0.09 -0.04 0.00 1.07 0.00 0.00 27.48 29.62 1p6o h GLN 12 CO 0.10 0.86 0.51 -0.22 -2.65 0.00 0.00 178.83 177.43 1p6o h LYS 13 N 0.71 1.01 -0.43 1.69 3.64 -1.79 -0.82 116.57 120.59 1p6o h LYS 13 Ca 0.15 -0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 59.43 1p6o h LYS 13 Cb 0.45 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 32.02 1p6o h LYS 13 CO 0.02 0.67 0.12 0.78 -2.27 0.00 0.00 179.45 178.76 1p6o h GLY 14 N 1.04 0.72 1.59 5.01 0.00 -1.03 -0.78 103.07 109.62 1p6o h GLY 14 Ca 0.28 -0.44 -0.15 0.00 0.00 0.00 0.00 47.33 47.02 1p6o h GLY 14 CO -0.06 0.41 -0.57 1.98 0.00 0.00 0.00 176.54 178.30 1p6o h MET 15 N 0.55 0.43 -0.66 4.80 1.85 -1.13 -0.46 114.93 120.30 1p6o h MET 15 Ca 0.14 -0.28 -0.08 0.00 -0.61 0.00 0.00 59.70 58.86 1p6o h MET 15 Cb 0.29 0.03 -0.03 0.00 0.43 0.00 0.00 31.60 32.33 1p6o h MET 15 CO -0.00 0.88 0.09 -0.44 -0.40 0.00 0.00 176.91 177.04 1p6o h ASP 16 N 0.33 1.06 -0.41 1.39 3.32 -0.93 -0.12 116.42 121.07 1p6o h ASP 16 Ca 0.00 -0.27 -0.06 0.00 0.02 0.00 0.00 57.03 56.73 1p6o h ASP 16 Cb 1.09 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 40.34 1p6o h ASP 16 CO 0.10 1.06 0.03 0.40 -1.72 0.00 0.00 179.24 179.11 1p6o h ILE 17 N 1.02 1.25 -0.67 0.35 2.04 -0.95 -0.17 117.51 120.39 1p6o h ILE 17 Ca 0.20 -0.96 0.06 0.00 1.00 0.00 0.00 64.86 65.16 1p6o h ILE 17 Cb 0.46 1.07 -0.05 0.00 -0.74 0.00 0.00 36.82 37.55 1p6o h ILE 17 CO 0.02 0.33 0.37 0.00 0.00 0.00 0.00 178.15 178.87 1p6o h ALA 18 N 0.91 0.89 -0.52 1.87 0.00 -0.82 -0.21 119.26 121.38 1p6o h ALA 18 Ca 0.12 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 1p6o h ALA 18 Cb 0.44 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1p6o h ALA 18 CO 0.02 0.05 0.07 -0.92 0.00 0.00 0.00 179.25 178.46 1p6o h TYR 19 N 0.69 0.93 -0.90 0.00 5.03 -0.84 -0.75 116.97 121.12 1p6o h TYR 19 Ca 0.30 -0.14 0.10 0.00 2.58 0.00 0.00 58.73 61.57 1p6o h TYR 19 Cb 0.18 -0.25 -0.08 0.00 1.55 0.00 0.00 36.73 38.14 1p6o h TYR 19 CO -0.08 0.84 0.55 0.93 -1.32 0.00 0.00 178.16 179.08 1p6o h GLU 20 N 0.75 0.89 -0.55 1.82 5.08 -0.34 0.19 114.58 122.42 1p6o h GLU 20 Ca 0.15 -0.05 -0.09 0.00 -1.00 0.00 0.00 59.36 58.37 1p6o h GLU 20 Cb 0.43 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 1p6o h GLU 20 CO 0.01 0.59 -0.01 0.93 -1.00 0.00 0.00 179.01 179.53 1p6o h GLU 21 N 0.91 0.94 -0.64 2.33 4.39 -0.54 -1.02 114.58 120.96 1p6o h GLU 21 Ca 0.43 -0.28 -0.06 0.00 0.34 0.00 0.00 59.36 59.79 1p6o h GLU 21 Cb 0.37 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 28.90 1p6o h GLU 21 CO -0.24 0.93 0.17 0.00 -1.16 0.00 0.00 179.01 178.71 1p6o h ALA 22 N 1.12 0.84 -0.41 3.43 0.00 -0.35 -0.55 119.26 123.33 1p6o h ALA 22 Ca 0.16 -0.23 -0.12 0.00 0.00 0.00 0.00 54.91 54.72 1p6o h ALA 22 Cb 0.52 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1p6o h ALA 22 CO 0.03 0.54 -0.22 0.00 0.00 0.00 0.00 179.25 179.59 1p6o h ALA 23 N 1.06 0.83 -0.30 0.00 0.00 -0.75 -0.66 119.26 119.43 1p6o h ALA 23 Ca 0.20 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1p6o h ALA 23 Cb 0.34 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1p6o h ALA 23 CO -0.00 0.64 0.13 1.25 0.00 0.00 0.00 179.25 181.27 1p6o h LEU 24 N 0.72 0.41 -1.14 0.00 5.85 -0.97 -1.47 115.31 118.71 1p6o h LEU 24 Ca 0.10 -0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.64 1p6o h LEU 24 Cb 0.75 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.65 1p6o h LEU 24 CO 0.06 0.45 0.30 1.23 -0.34 0.00 0.00 178.44 180.14 1p6o h GLY 25 N 0.34 0.96 0.60 3.75 0.00 -0.87 -1.14 103.07 106.71 1p6o h GLY 25 Ca 0.10 -0.46 0.05 0.00 0.00 0.00 0.00 47.33 47.02 1p6o h GLY 25 CO -0.01 0.44 0.07 -1.82 0.00 0.00 0.00 176.54 175.21 1p6o h TYR 26 N 0.90 0.11 0.00 5.60 3.20 -0.80 -0.20 116.97 125.77 1p6o h TYR 26 Ca 0.22 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 62.06 1p6o h TYR 26 Cb 0.10 -0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.36 1p6o h TYR 26 CO 0.01 0.02 -0.23 0.87 -1.64 0.00 0.00 178.16 177.19 1p6o h LYS 27 N 0.19 0.00 0.00 1.82 6.56 -0.51 -0.85 116.57 123.77 1p6o h LYS 27 Ca 0.16 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.75 1p6o h LYS 27 Cb 0.17 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.83 1p6o h LYS 27 CO -0.21 0.23 0.00 0.39 -2.06 0.00 0.00 179.45 177.80 1p6o n GLU 28 N -3.98 0.56 -0.69 3.15 1.02 -0.50 -4.89 120.64 115.30 1p6o n GLU 28 Ca -0.02 0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 1p6o n GLU 28 Cb 0.31 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.23 1p6o n GLU 28 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1p6o n GLY 29 N 0.79 0.58 0.99 0.62 0.00 -0.33 -4.87 105.19 102.98 1p6o n GLY 29 Ca 0.15 -0.66 -0.06 0.00 0.00 0.00 0.00 46.02 45.45 1p6o n GLY 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p6o n GLY 30 N -2.69 2.58 3.69 -0.02 0.00 -0.15 -4.87 105.19 103.73 1p6o n GLY 30 Ca 0.00 -2.18 -0.42 0.00 0.00 0.00 0.00 46.02 43.41 1p6o n GLY 30 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1p6o s VAL 31 N -0.40 3.93 -1.37 1.61 1.01 -1.26 -4.16 120.40 119.76 1p6o s VAL 31 Ca 0.11 1.27 -0.13 0.00 0.00 0.00 0.00 61.98 63.23 1p6o s VAL 31 Cb -0.01 -3.82 0.09 0.00 0.00 0.00 0.00 36.38 32.65 1p6o s VAL 31 CO 0.07 -0.01 2.01 -0.81 0.00 0.00 0.00 175.10 176.36 1p6o n PRO 32 N 5.46 3.18 -4.14 2.72 -0.04 -1.26 -4.34 135.00 136.57 1p6o n PRO 32 Ca 0.13 -3.06 -0.26 0.00 -0.04 0.00 0.00 63.50 60.27 1p6o n PRO 32 Cb 0.45 -3.17 -0.17 0.00 -0.04 0.00 0.00 33.50 30.56 1p6o n PRO 32 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1p6o s ILE 33 N 2.26 1.06 0.24 0.52 1.01 -1.26 -4.62 121.20 120.40 1p6o s ILE 33 Ca 0.45 -0.35 0.06 0.00 0.00 0.00 0.00 60.65 60.81 1p6o s ILE 33 Cb 0.10 -1.04 -0.05 0.00 0.01 0.00 0.00 42.46 41.49 1p6o s ILE 33 CO -0.04 0.36 -0.08 -0.83 0.00 0.00 0.00 174.94 174.36 1p6o s GLY 34 N 1.33 1.60 0.24 6.18 0.00 -1.25 -1.43 107.32 113.98 1p6o s GLY 34 Ca -0.02 -1.77 -0.16 0.00 0.00 0.00 0.00 44.72 42.76 1p6o s GLY 34 CO -0.04 -1.77 0.55 -0.32 0.00 0.00 0.00 173.10 171.53 1p6o s GLY 35 N -3.36 0.20 0.06 0.20 0.00 0.26 -1.37 107.32 103.31 1p6o s GLY 35 Ca 0.26 -0.55 -0.23 0.00 0.00 0.00 0.00 44.72 44.20 1p6o s GLY 35 CO 0.09 -0.39 0.55 0.00 0.00 0.00 0.00 173.10 173.35 1p6o s LEU 37 N -2.08 2.12 -0.08 0.00 2.96 -0.51 -0.52 118.68 120.57 1p6o s LEU 37 Ca -0.04 -0.61 0.03 0.00 -0.22 0.00 0.00 54.13 53.29 1p6o s LEU 37 Cb -0.00 -1.46 -0.02 0.00 0.50 0.00 0.00 46.19 45.21 1p6o s LEU 37 CO -0.03 0.06 -0.18 -0.63 -1.32 0.00 0.00 176.35 174.25 1p6o s ILE 38 N 0.92 2.68 -0.30 6.68 1.01 -0.53 -0.27 121.20 131.38 1p6o s ILE 38 Ca -0.04 -0.83 -0.29 0.00 0.00 0.00 0.00 60.65 59.48 1p6o s ILE 38 Cb -0.15 -2.05 -0.01 0.00 0.01 0.00 0.00 42.46 40.26 1p6o s ILE 38 CO -0.04 0.56 1.52 0.21 0.00 0.00 0.00 174.94 177.19 1p6o s ASN 39 N -0.17 6.38 0.55 3.58 3.84 0.32 -1.31 114.94 128.13 1p6o s ASN 39 Ca -0.02 1.30 0.29 0.00 0.21 0.00 0.00 52.86 54.64 1p6o s ASN 39 Cb -0.14 -2.53 1.62 0.00 -0.55 0.00 0.00 41.25 39.64 1p6o s ASN 39 CO 0.03 -1.31 2.15 0.78 -2.79 0.00 0.00 177.10 175.96 1p6o h ASN 40 N 10.64 0.00 -0.45 -4.21 2.35 -1.08 0.22 115.58 123.06 1p6o h ASN 40 Ca -0.30 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.34 1p6o h ASN 40 Cb 1.13 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.48 1p6o h ASN 40 CO 1.03 0.07 -0.14 0.11 -1.65 0.00 0.00 177.43 176.86 1p6o h LYS 41 N 0.00 0.93 0.00 0.81 1.57 -1.91 -3.37 116.57 114.60 1p6o h LYS 41 Ca -0.00 -0.34 0.00 0.00 -1.87 0.00 0.00 60.65 58.44 1p6o h LYS 41 Cb 0.20 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.45 1p6o h LYS 41 CO 0.01 1.00 0.00 -0.40 -0.57 0.00 0.00 179.45 179.49 1p6o n ASP 42 N -4.14 0.30 0.00 0.86 5.75 -1.15 -5.02 116.55 113.15 1p6o n ASP 42 Ca 0.01 -0.87 0.00 0.00 -0.01 0.00 0.00 54.79 53.92 1p6o n ASP 42 Cb 0.40 0.06 0.00 0.00 -1.03 0.00 0.00 41.12 40.55 1p6o n ASP 42 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1p6o n GLY 43 N 0.06 0.73 3.73 6.12 0.00 0.76 -5.00 105.19 111.58 1p6o n GLY 43 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1p6o n GLY 43 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1p6o s SER 44 N -2.50 6.74 -0.52 1.61 0.15 -1.23 -4.73 113.70 113.23 1p6o s SER 44 Ca 0.00 2.53 -0.29 0.00 0.70 0.00 0.00 55.95 58.89 1p6o s SER 44 Cb 0.00 -2.61 0.03 0.00 -1.71 0.00 0.00 66.02 61.73 1p6o s SER 44 CO 0.00 -0.66 1.15 -0.69 1.20 0.00 0.00 173.24 174.24 1p6o s VAL 45 N 0.34 4.14 0.03 4.45 1.01 -1.26 -0.52 120.40 128.60 1p6o s VAL 45 Ca 0.61 1.09 0.16 0.00 0.00 0.00 0.00 61.98 63.84 1p6o s VAL 45 Cb -0.40 -4.65 0.08 0.00 0.00 0.00 0.00 36.38 31.41 1p6o s VAL 45 CO 0.38 -1.13 1.58 -0.07 0.00 0.00 0.00 175.10 175.86 1p6o h LEU 46 N 11.46 0.00 0.00 3.92 3.38 -1.00 -3.48 115.31 129.59 1p6o h LEU 46 Ca -0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1p6o h LEU 46 Cb 1.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.81 1p6o h LEU 46 CO 1.15 0.48 0.00 0.61 0.09 0.00 0.00 178.44 180.77 1p6o n GLY 47 N 0.72 0.73 3.21 0.83 0.00 -1.21 -4.29 105.19 105.18 1p6o n GLY 47 Ca 0.01 -0.75 -0.12 0.00 0.00 0.00 0.00 46.02 45.15 1p6o n GLY 47 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1p6o s ARG 48 N -2.00 0.67 0.14 1.61 1.70 -1.26 -1.43 118.95 118.38 1p6o s ARG 48 Ca 0.00 -0.35 -0.24 0.00 -0.47 0.00 0.00 55.73 54.66 1p6o s ARG 48 Cb 0.00 0.29 0.08 0.00 -0.57 0.00 0.00 34.95 34.75 1p6o s ARG 48 CO 0.00 -0.19 1.06 0.20 -1.08 0.00 0.00 175.30 175.30 1p6o s GLY 49 N -1.59 -0.07 0.19 3.88 0.00 -0.66 -4.65 107.32 104.43 1p6o s GLY 49 Ca -0.11 -0.04 -0.06 0.00 0.00 0.00 0.00 44.72 44.51 1p6o s GLY 49 CO 0.01 1.63 0.24 -2.38 0.00 0.00 0.00 173.10 172.60 1p6o s HIS 50 N -2.53 0.73 0.21 1.90 -3.43 -1.26 -0.58 115.29 110.34 1p6o s HIS 50 Ca 0.19 -1.05 -0.32 0.00 -0.80 0.00 0.00 55.06 53.07 1p6o s HIS 50 Cb -0.01 -0.24 -0.13 0.00 -1.43 0.00 0.00 32.58 30.76 1p6o s HIS 50 CO 0.03 -0.72 1.59 -1.71 -2.00 0.00 0.00 174.74 171.92 1p6o n ASN 51 N -0.26 3.38 -0.22 7.38 2.85 -0.51 -4.40 115.26 123.49 1p6o n ASN 51 Ca -0.02 1.10 0.09 0.00 -0.11 0.00 0.00 54.58 55.64 1p6o n ASN 51 Cb 0.64 -1.49 0.16 0.00 1.24 0.00 0.00 39.78 40.33 1p6o n ASN 51 CO 0.00 0.00 0.00 0.23 -2.11 0.00 0.00 177.26 175.38 1p6o n MET 52 N 3.13 1.51 -0.07 1.20 2.81 0.48 -4.57 117.12 121.60 1p6o n MET 52 Ca 0.15 -2.66 -0.09 0.00 -1.81 0.00 0.00 57.70 53.28 1p6o n MET 52 Cb 0.32 -1.55 -0.03 0.00 -0.71 0.00 0.00 33.22 31.25 1p6o n MET 52 CO 0.00 0.00 0.00 -0.09 1.51 0.00 0.00 175.97 177.39 1p6o h ARG 53 N 0.29 -0.30 0.16 0.03 2.43 -1.69 -0.31 114.38 114.99 1p6o h ARG 53 Ca 0.00 0.02 -0.30 0.00 -0.81 0.00 0.00 59.98 58.89 1p6o h ARG 53 Cb 1.06 0.07 0.02 0.00 -0.42 0.00 0.00 29.97 30.71 1p6o h ARG 53 CO 0.03 -0.20 -1.31 0.74 -1.51 0.00 0.00 179.97 177.72 1p6o h PHE 54 N -0.31 0.83 -0.86 2.20 -1.00 -1.86 0.17 116.94 116.11 1p6o h PHE 54 Ca 0.14 -0.57 -0.02 0.00 2.81 0.00 0.00 57.97 60.33 1p6o h PHE 54 Cb 0.54 -0.05 -0.04 0.00 3.61 0.00 0.00 35.95 40.01 1p6o h PHE 54 CO -0.49 1.43 0.45 1.96 -1.61 0.00 0.00 178.31 180.05 1p6o h GLN 55 N 0.17 1.21 -0.03 1.51 7.50 -1.85 -3.26 115.11 120.36 1p6o h GLN 55 Ca -0.19 -0.15 0.00 0.00 0.50 0.00 0.00 58.65 58.81 1p6o h GLN 55 Cb 2.00 -0.23 0.00 0.00 0.05 0.00 0.00 27.48 29.30 1p6o h GLN 55 CO 0.24 0.90 0.00 1.63 -1.50 0.00 0.00 178.83 180.10 1p6o n LYS 56 N -4.35 0.75 -3.40 1.46 5.02 -0.14 -4.99 118.16 112.51 1p6o n LYS 56 Ca 0.09 -1.01 -0.21 0.00 -2.02 0.00 0.00 58.31 55.16 1p6o n LYS 56 Cb 0.11 -1.04 0.07 0.00 -0.02 0.00 0.00 35.03 34.14 1p6o n LYS 56 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1p6o n GLY 57 N -0.06 -0.37 3.51 0.72 0.00 0.47 -4.97 105.19 104.50 1p6o n GLY 57 Ca 0.02 0.13 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 1p6o n GLY 57 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1p6o s SER 58 N -3.22 5.24 0.02 1.61 0.15 -0.55 -4.97 113.70 111.97 1p6o s SER 58 Ca 0.49 -0.10 0.27 0.00 0.70 0.00 0.00 55.95 57.31 1p6o s SER 58 Cb -0.22 -1.92 0.97 0.00 -1.71 0.00 0.00 66.02 63.15 1p6o s SER 58 CO 0.61 0.06 1.75 0.00 1.20 0.00 0.00 173.24 176.85 1p6o n ALA 59 N 4.29 2.71 0.00 5.45 0.00 -1.26 -3.92 120.51 127.78 1p6o n ALA 59 Ca -0.16 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.10 1p6o n ALA 59 Cb 0.52 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.61 1p6o n ALA 59 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1p6o n THR 60 N -1.56 0.00 -1.71 0.00 -2.24 -1.26 -4.83 114.28 102.67 1p6o n THR 60 Ca 0.06 -0.12 -0.41 0.00 -2.27 0.00 0.00 64.05 61.31 1p6o n THR 60 Cb 0.35 0.60 -0.01 0.00 -2.10 0.00 0.00 70.33 69.17 1p6o n THR 60 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1p6o n LEU 61 N -1.28 7.32 -4.57 3.22 4.77 -1.26 -4.74 117.00 120.46 1p6o n LEU 61 Ca 0.00 -4.27 -0.29 0.00 -0.03 0.00 0.00 56.01 51.42 1p6o n LEU 61 Cb 0.00 -1.61 0.21 0.00 -2.33 0.00 0.00 43.42 39.70 1p6o n LEU 61 CO 0.00 1.39 0.58 -1.00 -1.33 0.00 0.00 177.39 177.03 1p6o s HIS 62 N 2.50 1.59 0.21 -1.77 3.76 -1.26 -0.39 115.29 119.94 1p6o s HIS 62 Ca 0.52 1.31 -0.09 0.00 -0.15 0.00 0.00 55.06 56.64 1p6o s HIS 62 Cb 0.15 -3.17 0.31 0.00 1.11 0.00 0.00 32.58 30.98 1p6o s HIS 62 CO -0.07 -3.39 1.72 0.78 -0.85 0.00 0.00 174.74 172.92 1p6o h GLY 63 N -2.28 0.84 1.17 -2.22 0.00 -1.77 0.15 103.07 98.96 1p6o h GLY 63 Ca -0.56 -0.07 -0.14 0.00 0.00 0.00 0.00 47.33 46.56 1p6o h GLY 63 CO 0.50 -0.09 -0.31 0.83 0.00 0.00 0.00 176.54 177.47 1p6o h GLU 64 N 0.32 0.92 -0.27 4.80 3.07 -1.90 -0.29 114.58 121.23 1p6o h GLU 64 Ca 0.32 -0.44 -0.05 0.00 -0.50 0.00 0.00 59.36 58.69 1p6o h GLU 64 Cb 0.46 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.36 1p6o h GLU 64 CO -0.38 1.10 -0.03 0.82 -1.40 0.00 0.00 179.01 179.12 1p6o h ILE 65 N 0.77 1.27 -0.94 3.13 1.08 -1.74 -1.58 117.51 119.50 1p6o h ILE 65 Ca 0.08 -1.01 -0.01 0.00 -0.39 0.00 0.00 64.86 63.53 1p6o h ILE 65 Cb 0.89 1.38 -0.05 0.00 -3.07 0.00 0.00 36.82 35.97 1p6o h ILE 65 CO 0.08 0.32 0.55 -1.28 -0.69 0.00 0.00 178.15 177.13 1p6o h SER 66 N 0.27 1.14 -0.06 1.72 0.87 -0.60 0.15 113.55 117.05 1p6o h SER 66 Ca 0.07 -0.08 0.03 0.00 -1.23 0.00 0.00 61.79 60.58 1p6o h SER 66 Cb 0.48 -0.29 -0.03 0.00 -0.44 0.00 0.00 62.40 62.12 1p6o h SER 66 CO 0.02 0.89 -0.10 0.74 -0.53 0.00 0.00 176.83 177.85 1p6o h THR 67 N 1.30 0.73 -0.89 2.23 2.02 -0.88 0.25 112.91 117.67 1p6o h THR 67 Ca 0.34 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.50 1p6o h THR 67 Cb -0.03 0.73 -0.04 0.00 -1.74 0.00 0.00 68.15 67.06 1p6o h THR 67 CO -0.06 0.00 0.50 -0.07 0.37 0.00 0.00 175.52 176.26 1p6o h LEU 68 N -0.15 1.09 -1.01 2.58 3.38 -0.79 -1.94 115.31 118.47 1p6o h LEU 68 Ca 0.06 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 1p6o h LEU 68 Cb 0.23 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.66 1p6o h LEU 68 CO -0.15 0.86 0.57 -0.08 0.09 0.00 0.00 178.44 179.73 1p6o h GLU 69 N 1.23 1.24 0.00 1.13 4.57 -0.26 -2.49 114.58 120.00 1p6o h GLU 69 Ca 0.31 -0.10 0.00 0.00 -1.18 0.00 0.00 59.36 58.39 1p6o h GLU 69 Cb -0.00 -0.26 0.00 0.00 -0.16 0.00 0.00 28.75 28.32 1p6o h GLU 69 CO -0.05 0.86 0.00 -0.91 -1.18 0.00 0.00 179.01 177.73 1p6o h ASN 70 N 1.27 0.00 1.07 1.04 2.35 -0.22 -2.16 115.58 118.92 1p6o h ASN 70 Ca 0.33 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 56.06 1p6o h ASN 70 Cb -0.07 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.29 1p6o h ASN 70 CO -0.06 0.00 -0.12 0.00 -1.65 0.00 0.00 177.43 175.60 1p6o n GLY 72 N 0.20 -2.31 3.74 0.00 0.00 -0.81 -4.83 105.19 101.19 1p6o n GLY 72 Ca 0.01 -1.55 -0.41 0.00 0.00 0.00 0.00 46.02 44.06 1p6o n GLY 72 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1p6o s ARG 73 N -0.99 4.21 0.03 1.61 0.52 -1.26 -4.94 118.95 118.14 1p6o s ARG 73 Ca 0.00 2.40 0.02 0.00 -0.52 0.00 0.00 55.73 57.63 1p6o s ARG 73 Cb 0.00 -3.09 -0.02 0.00 0.52 0.00 0.00 34.95 32.36 1p6o s ARG 73 CO 0.00 -0.51 -0.07 -0.51 0.02 0.00 0.00 175.30 174.24 1p6o s LEU 74 N -0.27 2.24 0.31 2.53 1.43 -1.26 -5.12 118.68 118.53 1p6o s LEU 74 Ca 0.62 -0.52 -0.29 0.00 -1.03 0.00 0.00 54.13 52.91 1p6o s LEU 74 Cb -0.44 -0.11 -0.12 0.00 0.03 0.00 0.00 46.19 45.55 1p6o s LEU 74 CO 0.44 -0.21 1.47 -0.62 0.23 0.00 0.00 176.35 177.65 1p6o n GLU 75 N 1.57 2.42 -0.25 1.70 -0.58 -1.26 -4.88 120.64 119.36 1p6o n GLU 75 Ca -0.23 0.86 0.12 0.00 -0.42 0.00 0.00 57.16 57.49 1p6o n GLU 75 Cb 0.55 -2.56 0.39 0.00 -0.57 0.00 0.00 31.44 29.25 1p6o n GLU 75 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 1p6o h GLY 76 N 3.85 1.12 2.00 0.62 0.00 -2.00 -0.59 103.07 108.07 1p6o h GLY 76 Ca -0.47 -0.29 -0.02 0.00 0.00 0.00 0.00 47.33 46.56 1p6o h GLY 76 CO 0.72 0.10 -0.09 0.50 0.00 0.00 0.00 176.54 177.77 1p6o h LYS 77 N 0.67 0.00 -0.52 4.80 1.57 -1.94 -2.42 116.57 118.72 1p6o h LYS 77 Ca 0.43 0.00 0.05 0.00 -1.87 0.00 0.00 60.65 59.26 1p6o h LYS 77 Cb 0.70 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.96 1p6o h LYS 77 CO -0.19 0.09 0.25 0.28 -0.57 0.00 0.00 179.45 179.32 1p6o h VAL 78 N 0.00 0.92 0.00 0.50 2.07 -1.46 -2.21 116.25 116.07 1p6o h VAL 78 Ca -0.00 -0.17 -0.02 0.00 0.82 0.00 0.00 66.70 67.33 1p6o h VAL 78 Cb 0.21 0.40 -0.00 0.00 -1.52 0.00 0.00 31.29 30.37 1p6o h VAL 78 CO 0.01 0.09 -0.10 1.88 0.02 0.00 0.00 177.57 179.47 1p6o h TYR 79 N 0.48 0.00 0.00 1.57 0.05 -1.56 -2.77 116.97 114.75 1p6o h TYR 79 Ca 0.24 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.02 1p6o h TYR 79 Cb 0.17 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.91 1p6o h TYR 79 CO -0.11 0.10 0.00 1.63 -1.05 0.00 0.00 178.16 178.73 1p6o n LYS 80 N -3.90 0.12 -2.69 4.88 4.76 -0.83 -2.35 118.16 118.15 1p6o n LYS 80 Ca -0.02 0.39 -0.19 0.00 -2.87 0.00 0.00 58.31 55.62 1p6o n LYS 80 Cb 0.19 -1.74 0.00 0.00 -1.84 0.00 0.00 35.03 31.65 1p6o n LYS 80 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1p6o n ASP 81 N -1.96 2.93 -4.55 4.39 2.03 -1.04 -4.51 116.55 113.83 1p6o n ASP 81 Ca 0.02 -3.23 -0.26 0.00 0.52 0.00 0.00 54.79 51.84 1p6o n ASP 81 Cb 0.18 -0.52 -0.11 0.00 -0.72 0.00 0.00 41.12 39.96 1p6o n ASP 81 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1p6o s THR 82 N -4.09 2.15 -0.08 5.18 -4.23 -0.99 -0.44 115.64 113.14 1p6o s THR 82 Ca 0.39 -2.15 0.04 0.00 -1.18 0.00 0.00 61.69 58.79 1p6o s THR 82 Cb 0.40 -2.72 0.00 0.00 1.34 0.00 0.00 72.50 71.53 1p6o s THR 82 CO -0.08 -0.16 -0.21 -0.89 -0.54 0.00 0.00 174.62 172.75 1p6o s THR 83 N -2.66 1.76 -0.24 3.99 2.01 -0.43 -3.65 115.64 116.42 1p6o s THR 83 Ca 0.33 -0.87 -0.13 0.00 0.31 0.00 0.00 61.69 61.33 1p6o s THR 83 Cb 0.04 -1.53 -0.04 0.00 0.01 0.00 0.00 72.50 70.98 1p6o s THR 83 CO 0.17 0.50 0.30 -0.22 -0.69 0.00 0.00 174.62 174.67 1p6o s LEU 84 N 0.28 4.09 -0.16 4.42 0.20 -0.55 -1.46 118.68 125.49 1p6o s LEU 84 Ca -0.13 0.26 -0.12 0.00 0.69 0.00 0.00 54.13 54.83 1p6o s LEU 84 Cb -0.16 -2.32 -0.05 0.00 -0.43 0.00 0.00 46.19 43.24 1p6o s LEU 84 CO 0.06 -0.07 0.24 -0.31 -0.29 0.00 0.00 176.35 175.98 1p6o s TYR 85 N 1.53 3.47 -0.01 5.38 2.02 0.32 -1.14 117.35 128.92 1p6o s TYR 85 Ca 0.13 0.53 0.00 0.00 -0.37 0.00 0.00 57.07 57.36 1p6o s TYR 85 Cb -0.15 -2.25 0.01 0.00 -0.40 0.00 0.00 41.96 39.17 1p6o s TYR 85 CO 0.08 0.31 -0.00 -0.08 -1.57 0.00 0.00 175.55 174.29 1p6o s THR 86 N 0.25 0.10 0.12 -0.71 -1.32 -0.03 -1.56 115.64 112.49 1p6o s THR 86 Ca 0.14 0.04 0.33 0.00 -1.21 0.00 0.00 61.69 60.99 1p6o s THR 86 Cb -0.12 -0.15 0.37 0.00 -1.51 0.00 0.00 72.50 71.09 1p6o s THR 86 CO 0.02 0.08 1.97 0.71 -2.21 0.00 0.00 174.62 175.20 1p6o h THR 87 N 5.70 0.07 -4.18 5.08 1.35 -1.51 0.20 112.91 119.63 1p6o h THR 87 Ca -0.35 -0.58 -0.51 0.00 -0.55 0.00 0.00 66.41 64.42 1p6o h THR 87 Cb 1.16 1.53 -0.27 0.00 -1.73 0.00 0.00 68.15 68.85 1p6o h THR 87 CO 0.49 0.03 -0.82 -0.22 -0.25 0.00 0.00 175.52 174.75 1p6o s LEU 88 N -6.27 2.10 0.26 3.87 2.96 -1.26 -2.13 118.68 118.21 1p6o s LEU 88 Ca 0.01 -0.39 -0.31 0.00 -0.22 0.00 0.00 54.13 53.22 1p6o s LEU 88 Cb 0.09 -0.80 -0.13 0.00 0.50 0.00 0.00 46.19 45.85 1p6o s LEU 88 CO 0.55 0.14 1.39 -0.24 -1.32 0.00 0.00 176.35 176.88 1p6o n SER 89 N 2.27 2.78 -4.76 3.68 2.88 -0.47 -4.80 113.62 115.19 1p6o n SER 89 Ca -0.16 1.15 -0.39 0.00 -1.33 0.00 0.00 58.87 58.14 1p6o n SER 89 Cb 0.54 -1.44 -0.04 0.00 -0.75 0.00 0.00 64.21 62.52 1p6o n SER 89 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1p6o s PRO 90 N -0.63 4.53 1.27 -1.46 0.04 -1.26 -4.76 135.00 132.72 1p6o s PRO 90 Ca 0.66 1.71 -0.21 0.00 0.04 0.00 0.00 61.00 63.20 1p6o s PRO 90 Cb -0.63 -3.02 0.31 0.00 0.04 0.00 0.00 34.50 31.20 1p6o s PRO 90 CO 0.51 0.14 1.08 0.00 0.04 0.00 0.00 177.00 178.77 1p6o h ASP 92 N -2.82 0.03 -0.02 0.00 5.19 -1.96 -0.25 116.42 116.60 1p6o h ASP 92 Ca -0.43 -0.01 -0.00 0.00 -0.62 0.00 0.00 57.03 55.97 1p6o h ASP 92 Cb 1.30 -0.01 -0.00 0.00 0.18 0.00 0.00 39.33 40.80 1p6o h ASP 92 CO 0.30 0.34 -0.00 -0.03 -3.12 0.00 0.00 179.24 176.72 1p6o h MET 93 N 0.03 0.03 -0.17 3.56 4.05 -1.99 -1.79 114.93 118.65 1p6o h MET 93 Ca 0.00 -0.01 -0.15 0.00 -0.28 0.00 0.00 59.70 59.26 1p6o h MET 93 Cb 0.56 -0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.35 1p6o h MET 93 CO 0.04 0.38 -0.51 0.00 0.23 0.00 0.00 176.91 177.05 1p6o h THR 95 N 0.37 0.69 -0.73 0.00 2.02 -1.09 -1.90 112.91 112.27 1p6o h THR 95 Ca 0.01 -0.07 -0.01 0.00 0.77 0.00 0.00 66.41 67.12 1p6o h THR 95 Cb 1.02 0.47 -0.04 0.00 -1.74 0.00 0.00 68.15 67.87 1p6o h THR 95 CO 0.09 0.04 0.43 1.23 0.37 0.00 0.00 175.52 177.68 1p6o h GLY 96 N 0.20 1.07 0.98 2.16 0.00 -0.42 -1.04 103.07 106.02 1p6o h GLY 96 Ca 0.25 -0.45 -0.01 0.00 0.00 0.00 0.00 47.33 47.12 1p6o h GLY 96 CO -0.35 0.43 0.27 0.00 0.00 0.00 0.00 176.54 176.89 1p6o h ALA 97 N 1.46 0.64 -0.48 3.60 0.00 -0.77 0.12 119.26 123.83 1p6o h ALA 97 Ca 0.26 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.09 1p6o h ALA 97 Cb -0.02 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 1p6o h ALA 97 CO -0.05 0.17 0.31 0.82 0.00 0.00 0.00 179.25 180.50 1p6o h ILE 98 N 0.66 1.10 -0.20 0.00 2.04 -0.86 -2.15 117.51 118.10 1p6o h ILE 98 Ca 0.18 -0.21 -0.02 0.00 1.00 0.00 0.00 64.86 65.81 1p6o h ILE 98 Cb 0.06 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 36.55 1p6o h ILE 98 CO -0.03 0.11 0.06 0.40 0.00 0.00 0.00 178.15 178.70 1p6o h ILE 99 N 0.63 1.18 -0.52 -0.67 2.04 -1.00 -1.58 117.51 117.59 1p6o h ILE 99 Ca 0.18 -0.58 0.04 0.00 1.00 0.00 0.00 64.86 65.51 1p6o h ILE 99 Cb -0.04 1.19 -0.04 0.00 -0.74 0.00 0.00 36.82 37.19 1p6o h ILE 99 CO -0.06 0.18 0.27 -0.03 0.00 0.00 0.00 178.15 178.51 1p6o h MET 100 N 0.15 0.51 -0.00 2.37 4.05 -0.49 -1.68 114.93 119.83 1p6o h MET 100 Ca 0.06 -0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.45 1p6o h MET 100 Cb 0.22 -0.11 0.00 0.00 -0.80 0.00 0.00 31.60 30.91 1p6o h MET 100 CO -0.00 0.33 -0.09 0.66 0.23 0.00 0.00 176.91 178.04 1p6o n TYR 101 N -4.87 0.00 -2.23 1.39 4.01 -0.83 -4.92 117.16 109.71 1p6o n TYR 101 Ca 0.05 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.66 1p6o n TYR 101 Cb 0.13 -0.29 -0.01 0.00 -0.31 0.00 0.00 39.34 38.86 1p6o n TYR 101 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1p6o n GLY 102 N 1.35 -0.12 3.62 2.72 0.00 -0.63 -4.45 105.19 107.68 1p6o n GLY 102 Ca 0.12 -0.38 -0.43 0.00 0.00 0.00 0.00 46.02 45.34 1p6o n GLY 102 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1p6o s ILE 103 N -2.61 3.62 0.04 -0.61 1.01 -0.79 -4.19 121.20 117.67 1p6o s ILE 103 Ca 0.00 0.69 0.23 0.00 0.00 0.00 0.00 60.65 61.58 1p6o s ILE 103 Cb 0.00 -3.68 0.23 0.00 0.01 0.00 0.00 42.46 39.03 1p6o s ILE 103 CO 0.00 -0.32 1.77 1.55 0.00 0.00 0.00 174.94 177.94 1p6o h PRO 104 N 11.24 0.00 -5.13 2.79 0.13 -1.73 -3.44 132.00 135.85 1p6o h PRO 104 Ca -0.34 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.26 1p6o h PRO 104 Cb 1.16 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 31.98 1p6o h PRO 104 CO 1.01 0.22 -0.82 1.03 -0.23 0.00 0.00 178.00 179.21 1p6o s ARG 105 N -3.51 1.56 -0.18 0.86 0.52 -1.24 -0.97 118.95 115.99 1p6o s ARG 105 Ca 0.02 -0.53 0.01 0.00 -0.52 0.00 0.00 55.73 54.70 1p6o s ARG 105 Cb 0.09 -1.38 0.03 0.00 0.52 0.00 0.00 34.95 34.22 1p6o s ARG 105 CO 0.65 0.21 -0.11 0.00 0.02 0.00 0.00 175.30 176.07 1p6o s VAL 107 N 1.46 4.44 -0.17 0.00 1.01 -0.29 -1.39 120.40 125.46 1p6o s VAL 107 Ca 0.01 -0.13 -0.03 0.00 0.00 0.00 0.00 61.98 61.84 1p6o s VAL 107 Cb -0.15 -3.09 -0.02 0.00 0.00 0.00 0.00 36.38 33.13 1p6o s VAL 107 CO -0.09 0.32 -0.07 -0.69 0.00 0.00 0.00 175.10 174.58 1p6o s VAL 108 N 1.63 3.49 0.08 2.92 1.01 0.83 -0.85 120.40 129.51 1p6o s VAL 108 Ca 0.06 -0.49 -0.30 0.00 0.00 0.00 0.00 61.98 61.26 1p6o s VAL 108 Cb -0.15 -2.53 -0.17 0.00 0.00 0.00 0.00 36.38 33.53 1p6o s VAL 108 CO 0.05 0.48 1.66 1.23 0.00 0.00 0.00 175.10 178.52 1p6o h GLY 109 N 7.11 -0.63 -3.26 4.51 0.00 -0.57 -0.04 103.07 110.19 1p6o h GLY 109 Ca -0.32 0.24 -0.03 0.00 0.00 0.00 0.00 47.33 47.22 1p6o h GLY 109 CO 0.60 -0.23 0.17 -1.83 0.00 0.00 0.00 176.54 175.24 1p6o s GLU 110 N -6.10 1.20 -0.07 4.80 4.04 -0.90 -0.31 118.70 121.36 1p6o s GLU 110 Ca -0.16 -0.32 0.15 0.00 0.04 0.00 0.00 54.97 54.67 1p6o s GLU 110 Cb 0.04 0.55 0.29 0.00 0.02 0.00 0.00 34.13 35.04 1p6o s GLU 110 CO 0.63 -0.49 1.13 0.27 -1.84 0.00 0.00 175.26 174.97 1p6o n ASN 111 N -0.05 1.11 0.03 0.83 0.23 -1.26 -1.37 115.26 114.78 1p6o n ASN 111 Ca -0.17 -2.59 -0.22 0.00 -0.53 0.00 0.00 54.58 51.06 1p6o n ASN 111 Cb 0.63 -0.35 -0.14 0.00 -2.08 0.00 0.00 39.78 37.84 1p6o n ASN 111 CO 0.00 0.00 0.00 0.58 -0.93 0.00 0.00 177.26 176.91 1p6o h VAL 112 N 4.57 0.85 0.00 3.53 2.07 -1.98 -3.36 116.25 121.93 1p6o h VAL 112 Ca -0.08 -2.41 0.00 0.00 0.82 0.00 0.00 66.70 65.02 1p6o h VAL 112 Cb 1.43 2.64 0.00 0.00 -1.52 0.00 0.00 31.29 33.84 1p6o h VAL 112 CO 0.04 0.82 0.00 0.78 0.02 0.00 0.00 177.57 179.22 1p6o h ASN 113 N -0.04 0.00 -3.35 0.57 -0.26 -1.94 -3.45 115.58 107.10 1p6o h ASN 113 Ca -0.36 0.00 0.04 0.00 -0.56 0.00 0.00 56.30 55.41 1p6o h ASN 113 Cb 1.97 0.00 -0.25 0.00 -1.06 0.00 0.00 38.32 38.98 1p6o h ASN 113 CO 0.10 0.00 0.36 0.12 -1.06 0.00 0.00 177.43 176.96 1p6o s PHE 114 N -3.28 -0.57 -0.17 1.19 5.36 -1.26 -5.10 117.98 114.15 1p6o s PHE 114 Ca 0.06 1.37 -0.11 0.00 -0.96 0.00 0.00 56.93 57.29 1p6o s PHE 114 Cb 0.06 0.35 0.05 0.00 -0.34 0.00 0.00 43.02 43.14 1p6o s PHE 114 CO 0.64 -0.28 0.42 0.21 -1.46 0.00 0.00 175.22 174.75 1p6o s LYS 115 N 0.36 0.44 0.53 10.12 2.20 -1.26 -4.35 119.74 127.77 1p6o s LYS 115 Ca 0.01 0.73 0.07 0.00 -0.36 0.00 0.00 55.97 56.43 1p6o s LYS 115 Cb -0.05 0.07 0.05 0.00 -1.51 0.00 0.00 37.83 36.39 1p6o s LYS 115 CO -0.05 -0.12 0.53 -1.54 -0.36 0.00 0.00 175.35 173.80 1p6o s SER 116 N 1.01 4.86 0.34 1.43 1.04 -1.26 -4.98 113.70 116.13 1p6o s SER 116 Ca -0.06 -1.03 0.25 0.00 0.48 0.00 0.00 55.95 55.58 1p6o s SER 116 Cb -0.06 0.22 1.20 0.00 0.10 0.00 0.00 66.02 67.47 1p6o s SER 116 CO -0.08 -1.11 1.75 0.11 0.98 0.00 0.00 173.24 174.88 1p6o h LYS 117 N 0.60 0.00 -0.51 4.02 1.57 -1.96 -2.99 116.57 117.30 1p6o h LYS 117 Ca -0.35 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.44 1p6o h LYS 117 Cb 1.29 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.58 1p6o h LYS 117 CO 0.52 0.00 0.34 0.78 -0.57 0.00 0.00 179.45 180.51 1p6o h GLY 118 N 1.04 0.71 0.74 3.86 0.00 -1.86 -1.28 103.07 106.27 1p6o h GLY 118 Ca 0.00 -0.26 0.05 0.00 0.00 0.00 0.00 47.33 47.12 1p6o h GLY 118 CO 0.00 0.26 0.39 -2.09 0.00 0.00 0.00 176.54 175.09 1p6o h GLU 119 N 0.68 0.70 0.07 4.80 4.81 -1.73 0.08 114.58 123.99 1p6o h GLU 119 Ca 0.19 -0.04 -0.25 0.00 -0.13 0.00 0.00 59.36 59.13 1p6o h GLU 119 Cb -0.07 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.15 1p6o h GLU 119 CO -0.04 0.47 -1.09 -0.22 -0.73 0.00 0.00 179.01 177.40 1p6o h LYS 120 N 0.73 0.28 -0.69 1.92 1.63 -1.74 -3.25 116.57 115.44 1p6o h LYS 120 Ca 0.29 -0.39 0.00 0.00 -0.85 0.00 0.00 60.65 59.70 1p6o h LYS 120 Cb 0.14 0.13 -0.03 0.00 -0.60 0.00 0.00 32.23 31.87 1p6o h LYS 120 CO -0.16 1.13 0.45 -0.92 -3.45 0.00 0.00 179.45 176.50 1p6o h TYR 121 N 0.12 0.87 -0.84 1.91 3.20 -0.67 0.10 116.97 121.66 1p6o h TYR 121 Ca -0.10 0.02 0.11 0.00 3.14 0.00 0.00 58.73 61.90 1p6o h TYR 121 Cb 1.78 -0.29 -0.08 0.00 1.54 0.00 0.00 36.73 39.68 1p6o h TYR 121 CO 0.05 0.56 0.47 -0.07 -1.64 0.00 0.00 178.16 177.53 1p6o h LEU 122 N 0.94 0.64 -0.37 2.82 3.38 -1.03 0.16 115.31 121.84 1p6o h LEU 122 Ca 0.25 0.06 -0.10 0.00 0.09 0.00 0.00 57.88 58.18 1p6o h LEU 122 Cb -0.09 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 1p6o h LEU 122 CO -0.05 0.34 -0.15 1.56 0.09 0.00 0.00 178.44 180.22 1p6o h GLN 123 N 0.75 0.77 -0.97 1.13 4.20 -1.11 -0.31 115.11 119.56 1p6o h GLN 123 Ca 0.42 -0.32 0.09 0.00 0.06 0.00 0.00 58.65 58.90 1p6o h GLN 123 Cb 0.46 -0.03 -0.07 0.00 0.30 0.00 0.00 27.48 28.14 1p6o h GLN 123 CO -0.28 0.94 0.62 1.15 -0.67 0.00 0.00 178.83 180.59 1p6o h THR 124 N 0.56 1.00 -0.11 -0.54 2.02 -0.56 -1.65 112.91 113.63 1p6o h THR 124 Ca 0.09 -0.36 0.00 0.00 0.77 0.00 0.00 66.41 66.91 1p6o h THR 124 Cb 0.69 -0.12 0.00 0.00 -1.74 0.00 0.00 68.15 66.98 1p6o h THR 124 CO 0.05 0.19 0.00 0.54 0.37 0.00 0.00 175.52 176.67 1p6o n ARG 125 N -4.54 1.42 -0.05 6.66 5.12 -0.01 -4.90 116.66 120.36 1p6o n ARG 125 Ca 0.16 -0.63 0.00 0.00 -1.93 0.00 0.00 57.85 55.45 1p6o n ARG 125 Cb 0.27 -1.31 0.00 0.00 -1.16 0.00 0.00 32.46 30.26 1p6o n ARG 125 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1p6o n GLY 126 N 0.95 0.82 3.88 -0.13 0.00 -0.62 -5.05 105.19 105.04 1p6o n GLY 126 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 1p6o n GLY 126 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1p6o s HIS 127 N -2.03 3.52 -0.14 1.61 3.76 -0.17 -5.00 115.29 116.84 1p6o s HIS 127 Ca 0.00 1.00 -0.18 0.00 -0.15 0.00 0.00 55.06 55.74 1p6o s HIS 127 Cb 0.00 -2.44 -0.04 0.00 1.11 0.00 0.00 32.58 31.21 1p6o s HIS 127 CO 0.00 -0.25 0.46 -2.00 -0.85 0.00 0.00 174.74 172.10 1p6o s GLU 128 N -4.35 4.30 -0.15 1.40 2.12 -0.14 -4.20 118.70 117.68 1p6o s GLU 128 Ca 0.51 0.40 0.00 0.00 0.36 0.00 0.00 54.97 56.23 1p6o s GLU 128 Cb -0.10 -3.46 -0.01 0.00 0.26 0.00 0.00 34.13 30.82 1p6o s GLU 128 CO 0.39 0.11 -0.14 0.08 -0.54 0.00 0.00 175.26 175.16 1p6o s VAL 129 N 0.80 2.83 -0.15 3.70 1.01 -1.26 -0.79 120.40 126.54 1p6o s VAL 129 Ca 0.24 -0.72 0.01 0.00 0.00 0.00 0.00 61.98 61.51 1p6o s VAL 129 Cb -0.15 -2.19 -0.00 0.00 0.00 0.00 0.00 36.38 34.04 1p6o s VAL 129 CO 0.09 0.52 -0.16 -0.69 0.00 0.00 0.00 175.10 174.86 1p6o s VAL 130 N 0.65 2.57 -0.28 2.92 1.01 -0.49 -5.00 120.40 121.78 1p6o s VAL 130 Ca -0.08 -0.80 -0.05 0.00 0.00 0.00 0.00 61.98 61.05 1p6o s VAL 130 Cb -0.16 -2.08 0.02 0.00 0.00 0.00 0.00 36.38 34.17 1p6o s VAL 130 CO 0.02 0.52 0.03 -0.69 0.00 0.00 0.00 175.10 174.99 1p6o s VAL 131 N 0.80 3.54 0.05 2.92 1.01 -1.26 -0.12 120.40 127.34 1p6o s VAL 131 Ca -0.06 -0.87 0.09 0.00 0.00 0.00 0.00 61.98 61.14 1p6o s VAL 131 Cb -0.15 -2.84 -0.16 0.00 0.00 0.00 0.00 36.38 33.22 1p6o s VAL 131 CO -0.00 0.09 1.24 0.58 0.00 0.00 0.00 175.10 177.00 1p6o h VAL 132 N 6.01 1.45 -5.64 2.92 2.07 -1.10 -3.49 116.25 118.47 1p6o h VAL 132 Ca -0.31 -3.10 -0.31 0.00 0.82 0.00 0.00 66.70 63.80 1p6o h VAL 132 Cb 1.11 2.71 0.17 0.00 -1.52 0.00 0.00 31.29 33.76 1p6o h VAL 132 CO 0.59 0.82 -0.83 -0.67 0.02 0.00 0.00 177.57 177.51 1p6o n ASP 133 N -3.28 -4.24 -4.62 0.57 4.64 0.25 -4.95 116.55 104.91 1p6o n ASP 133 Ca -0.02 -0.70 -0.43 0.00 -1.38 0.00 0.00 54.79 52.26 1p6o n ASP 133 Cb 0.91 -4.96 -0.02 0.00 -1.04 0.00 0.00 41.12 36.01 1p6o n ASP 133 CO 0.00 0.00 0.00 -0.62 -0.82 0.00 0.00 177.20 175.76 1p6o s ASP 134 N -3.87 6.82 0.48 1.67 -1.08 0.57 -4.92 116.67 116.35 1p6o s ASP 134 Ca 0.24 0.84 0.26 0.00 -0.52 0.00 0.00 52.55 53.37 1p6o s ASP 134 Cb -0.04 -2.54 1.14 0.00 -1.46 0.00 0.00 42.92 40.02 1p6o s ASP 134 CO 0.75 -0.98 1.92 -0.33 0.52 0.00 0.00 175.17 177.05 1p6o h GLU 135 N 8.44 0.00 -0.28 4.34 4.39 -1.92 -1.92 114.58 127.63 1p6o h GLU 135 Ca -0.21 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.47 1p6o h GLU 135 Cb 1.06 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.70 1p6o h GLU 135 CO 1.05 0.17 0.12 0.00 -1.16 0.00 0.00 179.01 179.19 1p6o h ARG 136 N 0.00 0.42 -0.46 2.33 3.08 -1.98 -0.82 114.38 116.94 1p6o h ARG 136 Ca -0.00 -0.07 -0.07 0.00 0.07 0.00 0.00 59.98 59.91 1p6o h ARG 136 Cb 0.60 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.57 1p6o h ARG 136 CO 0.02 0.44 0.02 0.00 -1.07 0.00 0.00 179.97 179.38 1p6o h LYS 138 N 0.66 1.18 -0.46 0.00 3.64 -1.20 -1.97 116.57 118.40 1p6o h LYS 138 Ca 0.13 -0.19 -0.14 0.00 -1.27 0.00 0.00 60.65 59.18 1p6o h LYS 138 Cb 0.47 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.07 1p6o h LYS 138 CO 0.02 0.93 -0.25 0.87 -2.27 0.00 0.00 179.45 178.75 1p6o h LYS 139 N 1.15 0.99 -0.21 1.90 1.57 -1.02 -1.04 116.57 119.91 1p6o h LYS 139 Ca 0.27 -0.44 -0.18 0.00 -1.87 0.00 0.00 60.65 58.43 1p6o h LYS 139 Cb 0.17 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.45 1p6o h LYS 139 CO -0.03 1.12 -0.60 0.97 -0.57 0.00 0.00 179.45 180.34 1p6o h ILE 140 N 0.84 1.30 -0.51 1.86 2.10 -1.22 -1.42 117.51 120.47 1p6o h ILE 140 Ca 0.10 -1.83 -0.11 0.00 1.08 0.00 0.00 64.86 64.10 1p6o h ILE 140 Cb 0.84 1.78 -0.02 0.00 -1.09 0.00 0.00 36.82 38.33 1p6o h ILE 140 CO 0.07 0.58 -0.10 -0.03 -1.08 0.00 0.00 178.15 177.59 1p6o h MET 141 N 0.51 0.96 -0.75 2.19 4.05 -1.32 -2.39 114.93 118.18 1p6o h MET 141 Ca -0.00 -0.36 -0.03 0.00 -0.28 0.00 0.00 59.70 59.03 1p6o h MET 141 Cb 1.18 -0.06 -0.03 0.00 -0.80 0.00 0.00 31.60 31.88 1p6o h MET 141 CO 0.12 1.03 0.34 -0.22 0.23 0.00 0.00 176.91 178.41 1p6o h LYS 142 N 0.82 1.09 -0.55 0.39 3.64 -1.04 -0.72 116.57 120.19 1p6o h LYS 142 Ca 0.13 -0.16 0.04 0.00 -1.27 0.00 0.00 60.65 59.39 1p6o h LYS 142 Cb 0.66 -0.19 -0.04 0.00 -0.41 0.00 0.00 32.23 32.24 1p6o h LYS 142 CO 0.05 0.85 0.30 1.96 -2.27 0.00 0.00 179.45 180.34 1p6o h GLN 143 N 1.07 0.57 -0.17 1.90 4.20 -1.01 -0.07 115.11 121.60 1p6o h GLN 143 Ca 0.26 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.91 1p6o h GLN 143 Cb 0.14 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.78 1p6o h GLN 143 CO -0.03 0.38 0.01 0.35 -0.67 0.00 0.00 178.83 178.87 1p6o h PHE 144 N 0.59 0.33 -0.43 2.96 3.57 -0.85 -1.90 116.94 121.21 1p6o h PHE 144 Ca 0.23 -0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.66 1p6o h PHE 144 Cb 0.10 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 38.73 1p6o h PHE 144 CO -0.08 0.49 0.18 0.82 -2.23 0.00 0.00 178.31 177.49 1p6o h ILE 145 N 0.07 1.16 -0.44 1.41 2.04 -0.87 0.15 117.51 121.02 1p6o h ILE 145 Ca 0.05 -0.47 -0.11 0.00 1.00 0.00 0.00 64.86 65.33 1p6o h ILE 145 Cb 0.35 0.63 -0.02 0.00 -0.74 0.00 0.00 36.82 37.05 1p6o h ILE 145 CO 0.01 0.19 -0.17 0.44 0.00 0.00 0.00 178.15 178.61 1p6o h ASP 146 N 0.60 0.86 0.46 1.72 3.45 -0.61 -2.97 116.42 119.93 1p6o h ASP 146 Ca 0.15 -0.29 -0.27 0.00 0.43 0.00 0.00 57.03 57.05 1p6o h ASP 146 Cb 0.10 -0.23 -0.05 0.00 -0.56 0.00 0.00 39.33 38.59 1p6o h ASP 146 CO -0.02 1.02 -1.74 -1.84 -1.57 0.00 0.00 179.24 175.09 1p6o n GLU 147 N -4.13 0.64 -2.93 3.56 0.28 -0.75 -4.59 120.64 112.72 1p6o n GLU 147 Ca 0.01 0.22 -0.20 0.00 -0.16 0.00 0.00 57.16 57.03 1p6o n GLU 147 Cb 0.41 -1.75 -0.02 0.00 1.43 0.00 0.00 31.44 31.51 1p6o n GLU 147 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1p6o n ARG 148 N -2.94 1.90 -0.23 3.44 1.74 0.50 -4.96 116.66 116.11 1p6o n ARG 148 Ca -0.17 -3.88 -0.01 0.00 -0.77 0.00 0.00 57.85 53.01 1p6o n ARG 148 Cb 1.00 -1.82 0.19 0.00 -1.02 0.00 0.00 32.46 30.81 1p6o n ARG 148 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 1p6o h PRO 149 N 2.94 1.02 -0.03 5.56 0.13 -1.70 -1.48 132.00 138.45 1p6o h PRO 149 Ca 0.09 -0.11 -0.12 0.00 -0.87 0.00 0.00 66.00 64.99 1p6o h PRO 149 Cb 0.88 -0.21 -0.02 0.00 0.13 0.00 0.00 31.00 31.79 1p6o h PRO 149 CO 0.63 0.75 -0.55 1.96 -0.23 0.00 0.00 178.00 180.55 1p6o h GLN 150 N 1.03 0.08 -0.58 0.86 1.08 -1.92 0.08 115.11 115.74 1p6o h GLN 150 Ca 0.26 -0.05 -0.10 0.00 -1.45 0.00 0.00 58.65 57.32 1p6o h GLN 150 Cb 0.01 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.43 1p6o h GLN 150 CO -0.04 0.61 -0.02 -0.44 -0.95 0.00 0.00 178.83 177.99 1p6o h ASP 151 N 0.06 1.00 -0.27 1.46 3.32 -1.83 -1.30 116.42 118.87 1p6o h ASP 151 Ca -0.00 -0.28 -0.01 0.00 0.02 0.00 0.00 57.03 56.75 1p6o h ASP 151 Cb 1.00 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 40.27 1p6o h ASP 151 CO 0.08 1.06 0.12 -0.25 -1.72 0.00 0.00 179.24 178.53 1p6o h TRP 152 N 0.93 0.39 -0.96 4.55 -0.00 -0.87 -2.02 115.95 117.97 1p6o h TRP 152 Ca 0.16 -0.02 0.02 0.00 -0.00 0.00 0.00 58.89 59.05 1p6o h TRP 152 Cb 0.56 -0.12 -0.05 0.00 -0.00 0.00 0.00 29.16 29.55 1p6o h TRP 152 CO 0.04 0.37 0.63 0.74 -0.00 0.00 0.00 178.44 180.22 1p6o h PHE 153 N 0.29 1.20 -0.85 2.65 0.04 -0.80 -0.69 116.94 118.79 1p6o h PHE 153 Ca 0.09 0.03 0.02 0.00 2.80 0.00 0.00 57.97 60.91 1p6o h PHE 153 Cb 0.13 -0.40 -0.05 0.00 2.20 0.00 0.00 35.95 37.83 1p6o h PHE 153 CO -0.02 0.74 0.55 1.49 -0.60 0.00 0.00 178.31 180.47 1p6o h GLU 154 N 1.28 1.06 0.00 1.51 4.81 -0.93 0.41 114.58 122.72 1p6o h GLU 154 Ca 0.36 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.51 1p6o h GLU 154 Cb -0.12 -0.24 -0.00 0.00 0.63 0.00 0.00 28.75 29.02 1p6o h GLU 154 CO -0.09 0.70 -0.06 0.22 -0.73 0.00 0.00 179.01 179.06 1p6o h ASP 155 N 1.10 0.00 -0.16 1.04 3.58 -0.39 -1.85 116.42 119.73 1p6o h ASP 155 Ca 0.33 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.75 1p6o h ASP 155 Cb -0.05 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 40.98 1p6o h ASP 155 CO -0.10 0.06 -0.05 2.30 -2.88 0.00 0.00 179.24 178.58 1p6o n ILE 156 N -3.33 2.18 -1.97 2.25 -5.35 -0.85 -4.99 119.36 107.31 1p6o n ILE 156 Ca -0.01 -2.24 -0.10 0.00 -0.27 0.00 0.00 62.75 60.12 1p6o n ILE 156 Cb 0.22 -0.26 -0.01 0.00 -1.74 0.00 0.00 39.64 37.85 1p6o n ILE 156 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1p6o n GLY 157 N -0.98 0.25 0.68 3.28 0.00 -0.67 -5.06 105.19 102.70 1p6o n GLY 157 Ca 0.21 -0.50 0.09 0.00 0.00 0.00 0.00 46.02 45.82 1p6o n GLY 157 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50