#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qfo s TRP 2 N 0.00 3.49 0.00 4.78 0.52 -1.26 -2.66 118.94 123.81 1qfo s TRP 2 Ca 0.00 1.53 0.00 0.00 0.02 0.00 0.00 56.10 57.65 1qfo s TRP 2 Cb 0.00 -3.37 0.00 0.00 -1.15 0.00 0.00 33.47 28.95 1qfo s TRP 2 CO 0.00 -0.93 0.00 0.41 0.02 0.00 0.00 176.95 176.45 1qfo n GLY 3 N 1.91 2.09 2.96 0.98 0.00 -0.91 -4.94 105.19 107.26 1qfo n GLY 3 Ca 0.03 -0.87 -0.15 0.00 0.00 0.00 0.00 46.02 45.03 1qfo n GLY 3 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qfo s VAL 4 N -2.00 0.35 -0.18 1.61 1.01 -1.26 -1.07 120.40 118.86 1qfo s VAL 4 Ca 0.00 -0.30 -0.02 0.00 0.00 0.00 0.00 61.98 61.67 1qfo s VAL 4 Cb 0.00 -0.32 0.05 0.00 0.00 0.00 0.00 36.38 36.11 1qfo s VAL 4 CO 0.00 0.03 0.00 -0.55 0.00 0.00 0.00 175.10 174.58 1qfo s SER 5 N -0.29 2.89 0.08 3.32 0.15 0.15 -4.99 113.70 115.01 1qfo s SER 5 Ca -0.00 -0.76 0.02 0.00 0.70 0.00 0.00 55.95 55.91 1qfo s SER 5 Cb -0.03 -0.72 -0.04 0.00 -1.71 0.00 0.00 66.02 63.53 1qfo s SER 5 CO -0.00 -0.26 -0.07 -0.94 1.20 0.00 0.00 173.24 173.16 1qfo s SER 6 N 1.76 1.09 0.69 5.45 1.04 -1.26 -2.04 113.70 120.43 1qfo s SER 6 Ca -0.01 -0.84 -0.17 0.00 0.48 0.00 0.00 55.95 55.41 1qfo s SER 6 Cb -0.16 0.07 0.01 0.00 0.10 0.00 0.00 66.02 66.03 1qfo s SER 6 CO -0.07 -0.36 1.14 -2.65 0.98 0.00 0.00 173.24 172.28 1qfo n PRO 7 N 0.49 0.75 -0.12 4.02 -0.02 -1.26 -4.85 135.00 134.02 1qfo n PRO 7 Ca -0.16 0.32 -0.11 0.00 -2.02 0.00 0.00 63.50 61.52 1qfo n PRO 7 Cb 0.59 -2.38 0.01 0.00 -0.02 0.00 0.00 33.50 31.69 1qfo n PRO 7 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1qfo h LYS 8 N 0.05 0.91 -3.91 -0.52 1.57 -1.94 -3.36 116.57 109.38 1qfo h LYS 8 Ca -0.49 -0.43 -0.21 0.00 -1.87 0.00 0.00 60.65 57.65 1qfo h LYS 8 Cb 1.33 -0.01 -0.24 0.00 0.08 0.00 0.00 32.23 33.39 1qfo h LYS 8 CO 0.50 1.09 -0.71 -0.80 -0.57 0.00 0.00 179.45 178.95 1qfo s ASN 9 N -6.79 0.18 -0.01 0.86 0.01 -1.26 -1.10 114.94 106.83 1qfo s ASN 9 Ca -0.11 -0.27 -0.03 0.00 -0.71 0.00 0.00 52.86 51.75 1qfo s ASN 9 Cb 0.12 0.05 -0.00 0.00 0.41 0.00 0.00 41.25 41.82 1qfo s ASN 9 CO 0.87 -0.15 0.06 0.68 -1.51 0.00 0.00 177.10 177.05 1qfo s VAL 10 N -0.77 0.04 0.05 1.60 -7.23 -0.59 -4.94 120.40 108.57 1qfo s VAL 10 Ca -0.08 -0.35 0.07 0.00 -1.81 0.00 0.00 61.98 59.82 1qfo s VAL 10 Cb -0.05 -0.21 -0.03 0.00 0.56 0.00 0.00 36.38 36.66 1qfo s VAL 10 CO -0.00 -0.19 -0.21 -1.10 -0.31 0.00 0.00 175.10 173.29 1qfo s GLN 11 N -0.58 1.34 0.06 4.82 -0.21 -1.26 -1.30 119.66 122.53 1qfo s GLN 11 Ca -0.07 -0.97 -0.10 0.00 0.02 0.00 0.00 55.36 54.25 1qfo s GLN 11 Cb -0.04 -1.48 0.00 0.00 1.00 0.00 0.00 33.01 32.49 1qfo s GLN 11 CO 0.00 0.37 0.21 0.20 -2.12 0.00 0.00 175.29 173.95 1qfo s GLY 12 N -1.29 0.04 0.03 3.09 0.00 -0.35 -4.96 107.32 103.88 1qfo s GLY 12 Ca 0.07 -0.40 -0.09 0.00 0.00 0.00 0.00 44.72 44.30 1qfo s GLY 12 CO 0.02 -0.59 0.34 1.08 0.00 0.00 0.00 173.10 173.95 1qfo s LEU 13 N -2.45 4.38 0.25 0.66 1.02 -1.26 -1.11 118.68 120.16 1qfo s LEU 13 Ca -0.00 0.71 -0.31 0.00 0.02 0.00 0.00 54.13 54.55 1qfo s LEU 13 Cb 0.02 -2.76 -0.13 0.00 0.02 0.00 0.00 46.19 43.34 1qfo s LEU 13 CO -0.07 0.24 1.46 -1.20 0.02 0.00 0.00 176.35 176.79 1qfo n SER 14 N 1.17 3.04 0.00 2.29 7.64 -0.82 -2.11 113.62 124.83 1qfo n SER 14 Ca -0.11 1.14 0.00 0.00 1.01 0.00 0.00 58.87 60.92 1qfo n SER 14 Cb 0.53 -1.47 0.00 0.00 -1.01 0.00 0.00 64.21 62.26 1qfo n SER 14 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1qfo n GLY 15 N 2.15 3.08 0.46 0.23 0.00 0.88 -4.89 105.19 107.10 1qfo n GLY 15 Ca 0.11 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.10 1qfo n GLY 15 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1qfo n SER 16 N 0.18 0.21 -4.94 1.61 3.41 -0.90 -4.23 113.62 108.96 1qfo n SER 16 Ca 0.00 -1.16 -0.26 0.00 -0.26 0.00 0.00 58.87 57.19 1qfo n SER 16 Cb 0.00 -0.06 -0.03 0.00 -0.26 0.00 0.00 64.21 63.86 1qfo n SER 16 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1qfo s LEU 18 N -3.55 1.35 -0.12 0.00 2.96 0.16 -4.81 118.68 114.67 1qfo s LEU 18 Ca 0.37 0.23 0.02 0.00 -0.22 0.00 0.00 54.13 54.54 1qfo s LEU 18 Cb -0.10 0.36 0.01 0.00 0.50 0.00 0.00 46.19 46.95 1qfo s LEU 18 CO 0.30 -0.07 -0.20 -0.22 -1.32 0.00 0.00 176.35 174.84 1qfo s LEU 19 N 0.37 1.96 -0.43 -0.68 1.98 -1.26 -0.56 118.68 120.06 1qfo s LEU 19 Ca -0.03 -0.53 -0.13 0.00 -2.89 0.00 0.00 54.13 50.56 1qfo s LEU 19 Cb -0.04 -1.30 0.06 0.00 0.66 0.00 0.00 46.19 45.58 1qfo s LEU 19 CO -0.01 0.07 0.31 -0.63 -1.89 0.00 0.00 176.35 174.20 1qfo s ILE 20 N 0.79 4.81 0.40 6.68 1.01 0.64 -4.96 121.20 130.58 1qfo s ILE 20 Ca -0.09 -1.09 -0.27 0.00 0.00 0.00 0.00 60.65 59.20 1qfo s ILE 20 Cb -0.16 -3.84 -0.09 0.00 0.01 0.00 0.00 42.46 38.38 1qfo s ILE 20 CO 0.00 -0.47 1.38 -2.84 0.00 0.00 0.00 174.94 173.01 1qfo s PRO 21 N 1.56 3.96 -0.25 2.79 0.02 -1.26 -1.58 135.00 140.24 1qfo s PRO 21 Ca 0.03 2.34 -0.21 0.00 0.02 0.00 0.00 61.00 63.18 1qfo s PRO 21 Cb -0.22 -2.81 0.07 0.00 0.02 0.00 0.00 34.50 31.55 1qfo s PRO 21 CO 0.06 -0.56 0.66 0.00 -0.33 0.00 0.00 177.00 176.83 1qfo s ILE 23 N 0.70 0.77 0.18 0.00 -4.36 -0.87 -0.29 121.20 117.34 1qfo s ILE 23 Ca -0.03 -1.92 -0.08 0.00 -0.26 0.00 0.00 60.65 58.36 1qfo s ILE 23 Cb -0.05 -1.67 -0.02 0.00 1.25 0.00 0.00 42.46 41.98 1qfo s ILE 23 CO -0.05 -0.83 0.27 0.72 0.24 0.00 0.00 174.94 175.29 1qfo s PHE 24 N -3.47 0.54 0.14 1.37 -0.71 -1.01 -0.67 117.98 114.16 1qfo s PHE 24 Ca 0.12 -0.89 -0.14 0.00 -1.04 0.00 0.00 56.93 54.98 1qfo s PHE 24 Cb 0.04 -0.13 0.02 0.00 -1.21 0.00 0.00 43.02 41.74 1qfo s PHE 24 CO -0.04 -0.73 0.38 -1.54 -1.34 0.00 0.00 175.22 171.95 1qfo s SER 25 N -3.01 -0.16 0.12 1.98 1.04 -0.23 -4.83 113.70 108.61 1qfo s SER 25 Ca 0.21 -0.45 -0.21 0.00 0.48 0.00 0.00 55.95 55.98 1qfo s SER 25 Cb 0.04 0.47 0.06 0.00 0.10 0.00 0.00 66.02 66.68 1qfo s SER 25 CO 0.03 -0.87 0.52 -0.72 0.98 0.00 0.00 173.24 173.18 1qfo s TYR 26 N -3.84 -0.41 0.33 5.02 1.13 -1.09 -2.15 117.35 116.34 1qfo s TYR 26 Ca 0.06 0.25 -0.27 0.00 -1.41 0.00 0.00 57.07 55.69 1qfo s TYR 26 Cb 0.02 0.41 -0.13 0.00 -1.10 0.00 0.00 41.96 41.17 1qfo s TYR 26 CO -0.09 -0.75 1.12 -2.30 -2.51 0.00 0.00 175.55 171.01 1qfo n PRO 27 N -0.12 1.65 0.28 -3.49 -0.02 -1.26 -4.78 135.00 127.25 1qfo n PRO 27 Ca -0.17 0.58 0.15 0.00 -2.02 0.00 0.00 63.50 62.04 1qfo n PRO 27 Cb 0.63 -2.06 0.78 0.00 -0.02 0.00 0.00 33.50 32.83 1qfo n PRO 27 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1qfo h ALA 28 N 2.12 1.19 0.04 3.55 0.00 -2.01 -2.94 119.26 121.20 1qfo h ALA 28 Ca -0.43 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.40 1qfo h ALA 28 Cb 1.32 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1qfo h ALA 28 CO 0.61 0.11 -0.02 -0.44 0.00 0.00 0.00 179.25 179.51 1qfo h ASP 29 N 0.00 -0.04 -1.48 0.00 3.32 -2.06 -3.44 116.42 112.72 1qfo h ASP 29 Ca -0.00 -0.15 -0.74 0.00 0.02 0.00 0.00 57.03 56.15 1qfo h ASP 29 Cb 0.33 0.01 0.03 0.00 0.22 0.00 0.00 39.33 39.92 1qfo h ASP 29 CO 0.01 0.13 0.70 0.52 -1.72 0.00 0.00 179.24 178.89 1qfo n VAL 30 N -5.03 0.17 -2.78 -1.35 0.31 -1.11 -4.92 118.33 103.62 1qfo n VAL 30 Ca -0.08 -0.03 -0.42 0.00 -0.01 0.00 0.00 64.34 63.81 1qfo n VAL 30 Cb 0.12 -0.95 -0.03 0.00 -0.91 0.00 0.00 33.84 32.06 1qfo n VAL 30 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1qfo s PRO 31 N 2.44 4.53 -0.59 5.55 0.04 -1.26 -5.00 135.00 140.70 1qfo s PRO 31 Ca 0.95 1.31 -0.06 0.00 0.04 0.00 0.00 61.00 63.24 1qfo s PRO 31 Cb -1.10 -3.46 0.15 0.00 0.04 0.00 0.00 34.50 30.13 1qfo s PRO 31 CO 0.62 -0.04 0.44 0.08 0.04 0.00 0.00 177.00 178.13 1qfo s VAL 32 N 1.04 4.09 -0.45 -0.36 1.01 -1.26 -4.90 120.40 119.56 1qfo s VAL 32 Ca 0.49 -2.47 0.04 0.00 0.00 0.00 0.00 61.98 60.03 1qfo s VAL 32 Cb -0.20 -3.66 0.44 0.00 0.00 0.00 0.00 36.38 32.96 1qfo s VAL 32 CO 0.25 -0.85 1.42 -0.24 0.00 0.00 0.00 175.10 175.68 1qfo n SER 33 N 4.06 5.67 -4.46 3.32 2.88 -1.26 -5.02 113.62 118.82 1qfo n SER 33 Ca 0.04 -3.76 -0.25 0.00 -1.33 0.00 0.00 58.87 53.56 1qfo n SER 33 Cb 0.40 -0.56 -0.11 0.00 -0.75 0.00 0.00 64.21 63.20 1qfo n SER 33 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1qfo s GLY 35 N -3.01 1.79 -0.19 0.46 0.00 -1.26 -5.08 107.32 100.04 1qfo s GLY 35 Ca 0.53 -1.75 -0.08 0.00 0.00 0.00 0.00 44.72 43.42 1qfo s GLY 35 CO -0.06 -1.81 0.09 -0.42 0.00 0.00 0.00 173.10 170.90 1qfo s ILE 36 N -2.09 5.02 -0.13 0.90 1.01 -1.26 -4.69 121.20 119.96 1qfo s ILE 36 Ca 0.26 0.05 -0.18 0.00 0.00 0.00 0.00 60.65 60.77 1qfo s ILE 36 Cb -0.07 -3.28 -0.04 0.00 0.01 0.00 0.00 42.46 39.09 1qfo s ILE 36 CO 0.13 0.45 0.49 -0.89 0.00 0.00 0.00 174.94 175.11 1qfo s THR 37 N 0.41 5.18 -0.13 2.92 2.01 0.22 -4.92 115.64 121.32 1qfo s THR 37 Ca 0.05 0.97 -0.02 0.00 0.31 0.00 0.00 61.69 63.00 1qfo s THR 37 Cb -0.12 -3.83 -0.02 0.00 0.01 0.00 0.00 72.50 68.54 1qfo s THR 37 CO -0.00 0.31 -0.07 0.00 -0.69 0.00 0.00 174.62 174.16 1qfo s ALA 38 N 0.73 2.88 -0.02 7.40 0.00 -1.26 -1.02 121.76 130.47 1qfo s ALA 38 Ca 0.26 -0.85 0.00 0.00 0.00 0.00 0.00 51.96 51.37 1qfo s ALA 38 Cb -0.15 -1.40 0.03 0.00 0.00 0.00 0.00 23.12 21.60 1qfo s ALA 38 CO 0.10 0.28 0.02 0.42 0.00 0.00 0.00 175.76 176.59 1qfo s ILE 39 N 0.17 0.02 -0.14 0.00 1.01 0.12 -1.25 121.20 121.13 1qfo s ILE 39 Ca -0.04 0.18 -0.01 0.00 0.00 0.00 0.00 60.65 60.78 1qfo s ILE 39 Cb -0.14 -0.15 -0.02 0.00 0.01 0.00 0.00 42.46 42.16 1qfo s ILE 39 CO 0.04 0.11 -0.10 0.26 0.00 0.00 0.00 174.94 175.25 1qfo s TRP 40 N 1.09 2.88 0.17 3.97 0.52 -0.67 -0.26 118.94 126.65 1qfo s TRP 40 Ca -0.09 -0.53 0.08 0.00 0.02 0.00 0.00 56.10 55.58 1qfo s TRP 40 Cb -0.13 -1.88 -0.04 0.00 -1.15 0.00 0.00 33.47 30.26 1qfo s TRP 40 CO -0.03 -0.15 -0.03 0.71 0.02 0.00 0.00 176.95 177.47 1qfo s TYR 41 N 0.36 2.77 -0.11 -1.98 2.02 0.50 -0.90 117.35 120.01 1qfo s TYR 41 Ca -0.09 -0.16 0.03 0.00 -0.37 0.00 0.00 57.07 56.48 1qfo s TYR 41 Cb -0.15 -1.35 0.00 0.00 -0.40 0.00 0.00 41.96 40.06 1qfo s TYR 41 CO 0.05 0.51 -0.23 -0.47 -1.57 0.00 0.00 175.55 173.85 1qfo s TYR 42 N -1.71 2.61 -1.15 2.71 5.04 -0.06 -1.30 117.35 123.48 1qfo s TYR 42 Ca 0.26 -1.10 -0.18 0.00 -2.44 0.00 0.00 57.07 53.62 1qfo s TYR 42 Cb -0.09 -1.75 -0.01 0.00 0.35 0.00 0.00 41.96 40.46 1qfo s TYR 42 CO 0.17 -0.46 0.78 -3.47 -1.34 0.00 0.00 175.55 171.24 1qfo n ASP 43 N 3.67 -4.99 -0.28 4.32 2.03 -0.60 -1.64 116.55 119.05 1qfo n ASP 43 Ca -0.19 -0.99 0.07 0.00 0.52 0.00 0.00 54.79 54.20 1qfo n ASP 43 Cb 0.53 -3.52 0.21 0.00 -0.72 0.00 0.00 41.12 37.62 1qfo n ASP 43 CO 0.00 0.00 0.00 0.22 -1.92 0.00 0.00 177.20 175.50 1qfo h TYR 44 N -1.84 0.64 0.00 -0.67 3.20 -1.85 0.24 116.97 116.70 1qfo h TYR 44 Ca -0.66 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.25 1qfo h TYR 44 Cb 1.36 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 39.47 1qfo h TYR 44 CO 0.35 0.11 0.00 0.66 -1.64 0.00 0.00 178.16 177.64 1qfo h SER 45 N 0.52 0.00 0.00 -2.11 4.64 -1.98 -3.38 113.55 111.24 1qfo h SER 45 Ca 0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.77 1qfo h SER 45 Cb 0.68 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.77 1qfo h SER 45 CO -0.39 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.18 1qfo n GLY 46 N 1.27 0.52 0.29 -0.77 0.00 -0.46 -4.88 105.19 101.15 1qfo n GLY 46 Ca 0.05 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.23 1qfo n GLY 46 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1qfo h LYS 47 N 0.00 0.00 -6.48 1.61 1.57 -1.82 -3.47 116.57 107.97 1qfo h LYS 47 Ca 0.00 0.00 -0.45 0.00 -1.87 0.00 0.00 60.65 58.33 1qfo h LYS 47 Cb 0.00 0.00 0.03 0.00 0.08 0.00 0.00 32.23 32.34 1qfo h LYS 47 CO 0.00 0.06 -0.91 -2.13 -0.57 0.00 0.00 179.45 175.90 1qfo n ARG 48 N -3.52 -1.03 -3.14 3.15 0.63 0.74 -4.94 116.66 108.56 1qfo n ARG 48 Ca -0.02 0.52 -0.39 0.00 -0.92 0.00 0.00 57.85 57.04 1qfo n ARG 48 Cb 0.18 -3.34 -0.05 0.00 0.45 0.00 0.00 32.46 29.70 1qfo n ARG 48 CO 0.00 0.00 0.00 -0.65 -2.51 0.00 0.00 177.63 174.47 1qfo s GLN 49 N -5.84 4.37 -0.18 -0.14 -0.21 -0.65 -4.86 119.66 112.14 1qfo s GLN 49 Ca 0.31 0.84 -0.28 0.00 0.02 0.00 0.00 55.36 56.25 1qfo s GLN 49 Cb -0.14 -3.34 -0.00 0.00 1.00 0.00 0.00 33.01 30.53 1qfo s GLN 49 CO 0.89 0.37 0.99 0.08 -2.12 0.00 0.00 175.29 175.50 1qfo s VAL 50 N -0.24 4.75 -0.21 1.09 1.01 -1.26 -0.88 120.40 124.65 1qfo s VAL 50 Ca 0.33 1.96 -0.16 0.00 0.00 0.00 0.00 61.98 64.11 1qfo s VAL 50 Cb -0.19 -4.28 -0.19 0.00 0.00 0.00 0.00 36.38 31.72 1qfo s VAL 50 CO 0.19 -0.09 0.10 0.52 0.00 0.00 0.00 175.10 175.82 1qfo n VAL 51 N 5.00 1.58 -4.11 2.92 0.31 -0.08 -0.52 118.33 123.43 1qfo n VAL 51 Ca 0.10 -0.26 -0.14 0.00 -0.01 0.00 0.00 64.34 64.03 1qfo n VAL 51 Cb 0.47 -1.91 -0.13 0.00 -0.91 0.00 0.00 33.84 31.36 1qfo n VAL 51 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1qfo s ILE 52 N -2.44 0.46 -0.29 2.52 -1.09 -1.15 -4.79 121.20 114.43 1qfo s ILE 52 Ca -0.30 -0.62 0.03 0.00 -2.23 0.00 0.00 60.65 57.53 1qfo s ILE 52 Cb 0.08 -0.46 0.17 0.00 -1.58 0.00 0.00 42.46 40.67 1qfo s ILE 52 CO 0.61 -0.12 0.49 -2.28 -1.23 0.00 0.00 174.94 172.40 1qfo s HIS 53 N -0.71 -1.35 0.32 3.97 2.46 -1.25 -1.67 115.29 117.05 1qfo s HIS 53 Ca -0.04 0.76 0.19 0.00 0.47 0.00 0.00 55.06 56.44 1qfo s HIS 53 Cb -0.06 0.09 0.92 0.00 -0.13 0.00 0.00 32.58 33.40 1qfo s HIS 53 CO 0.00 -0.99 1.87 0.66 -2.47 0.00 0.00 174.74 173.81 1qfo h SER 54 N 8.09 0.00 0.10 9.88 4.64 -1.56 -3.08 113.55 131.62 1qfo h SER 54 Ca -0.08 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.23 1qfo h SER 54 Cb 1.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 1qfo h SER 54 CO 0.22 0.30 -0.05 1.23 -0.87 0.00 0.00 176.83 177.66 1qfo h GLY 55 N 1.34 -0.14 -6.78 -0.77 0.00 -1.93 -3.42 103.07 91.37 1qfo h GLY 55 Ca -0.00 0.05 -0.57 0.00 0.00 0.00 0.00 47.33 46.81 1qfo h GLY 55 CO 0.04 -0.05 -0.80 -0.35 0.00 0.00 0.00 176.54 175.38 1qfo s ASP 56 N -5.56 3.39 0.27 0.19 -1.08 -1.22 -5.00 116.67 107.66 1qfo s ASP 56 Ca -0.15 -1.84 0.17 0.00 -0.52 0.00 0.00 52.55 50.22 1qfo s ASP 56 Cb 0.01 -0.51 0.94 0.00 -1.46 0.00 0.00 42.92 41.89 1qfo s ASP 56 CO 0.59 -0.37 1.52 -0.81 0.52 0.00 0.00 175.17 176.62 1qfo n PRO 57 N 4.53 0.11 0.22 4.34 -0.04 -1.16 -1.15 135.00 141.85 1qfo n PRO 57 Ca 0.03 0.61 0.11 0.00 -0.04 0.00 0.00 63.50 64.21 1qfo n PRO 57 Cb 0.39 -1.89 0.36 0.00 -0.04 0.00 0.00 33.50 32.32 1qfo n PRO 57 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1qfo h LYS 58 N 0.00 0.00 0.00 0.54 1.57 -1.94 -2.99 116.57 113.75 1qfo h LYS 58 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1qfo h LYS 58 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.36 1qfo h LYS 58 CO 0.00 0.14 0.00 1.28 -0.57 0.00 0.00 179.45 180.30 1qfo n LEU 59 N -3.19 0.73 -4.74 2.94 4.77 -0.30 -4.81 117.00 112.39 1qfo n LEU 59 Ca 0.02 0.64 -0.42 0.00 -0.03 0.00 0.00 56.01 56.22 1qfo n LEU 59 Cb 0.48 -0.50 -0.02 0.00 -2.33 0.00 0.00 43.42 41.04 1qfo n LEU 59 CO 0.33 -0.45 1.20 -0.69 -1.33 0.00 0.00 177.39 176.45 1qfo s VAL 60 N -3.26 2.41 0.56 4.08 1.01 -1.13 -4.59 120.40 119.49 1qfo s VAL 60 Ca 0.06 0.33 -0.21 0.00 0.00 0.00 0.00 61.98 62.16 1qfo s VAL 60 Cb 0.10 -3.21 -0.04 0.00 0.00 0.00 0.00 36.38 33.23 1qfo s VAL 60 CO 0.46 0.04 1.31 -0.62 0.00 0.00 0.00 175.10 176.29 1qfo s ASP 61 N 0.66 5.22 0.37 3.32 2.15 0.32 -4.79 116.67 123.91 1qfo s ASP 61 Ca 0.64 2.65 0.04 0.00 0.43 0.00 0.00 52.55 56.32 1qfo s ASP 61 Cb -0.45 -2.63 0.72 0.00 -0.30 0.00 0.00 42.92 40.26 1qfo s ASP 61 CO 0.41 -1.59 2.01 0.11 -0.17 0.00 0.00 175.17 175.93 1qfo h LYS 62 N 1.28 0.74 0.00 4.34 1.57 -1.92 -1.44 116.57 121.13 1qfo h LYS 62 Ca -0.51 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.23 1qfo h LYS 62 Cb 1.30 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 33.45 1qfo h LYS 62 CO 0.56 0.49 0.00 0.07 -0.57 0.00 0.00 179.45 180.00 1qfo h ARG 63 N 0.76 0.00 0.00 3.15 0.11 -1.95 -2.93 114.38 113.52 1qfo h ARG 63 Ca 0.23 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.31 1qfo h ARG 63 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 1qfo h ARG 63 CO -0.06 0.00 -0.96 1.19 0.10 0.00 0.00 179.97 180.24 1qfo n PHE 64 N -2.72 0.00 -1.68 4.08 3.72 -0.77 -4.87 117.46 115.22 1qfo n PHE 64 Ca -0.00 0.00 -0.47 0.00 -0.05 0.00 0.00 57.45 56.93 1qfo n PHE 64 Cb 0.18 -0.12 -0.04 0.00 -0.94 0.00 0.00 39.48 38.57 1qfo n PHE 64 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 176.76 174.58 1qfo n ARG 65 N -1.54 2.28 0.00 -1.08 0.63 -0.62 -0.82 116.66 115.51 1qfo n ARG 65 Ca 0.00 0.83 0.00 0.00 -0.92 0.00 0.00 57.85 57.76 1qfo n ARG 65 Cb 0.22 -2.67 0.00 0.00 0.45 0.00 0.00 32.46 30.46 1qfo n ARG 65 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1qfo n GLY 66 N 4.12 2.53 0.09 5.14 0.00 -1.26 -4.80 105.19 111.01 1qfo n GLY 66 Ca 0.20 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.29 1qfo n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qfo n ARG 67 N -2.00 2.38 -4.96 1.61 1.74 -0.00 -4.95 116.66 110.48 1qfo n ARG 67 Ca 0.00 -0.21 -0.27 0.00 -0.77 0.00 0.00 57.85 56.60 1qfo n ARG 67 Cb 0.00 -1.15 -0.16 0.00 -1.02 0.00 0.00 32.46 30.13 1qfo n ARG 67 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1qfo s ALA 68 N -2.10 1.70 -0.00 7.54 0.00 -0.99 0.41 121.76 128.32 1qfo s ALA 68 Ca 0.07 -0.80 0.02 0.00 0.00 0.00 0.00 51.96 51.25 1qfo s ALA 68 Cb 0.10 -0.54 -0.00 0.00 0.00 0.00 0.00 23.12 22.68 1qfo s ALA 68 CO 0.49 0.33 -0.06 -1.21 0.00 0.00 0.00 175.76 175.31 1qfo s GLU 69 N -0.08 0.49 -0.63 0.00 2.02 0.19 -4.97 118.70 115.72 1qfo s GLU 69 Ca -0.02 -0.21 -0.22 0.00 0.02 0.00 0.00 54.97 54.54 1qfo s GLU 69 Cb -0.12 -0.48 0.08 0.00 0.10 0.00 0.00 34.13 33.72 1qfo s GLU 69 CO 0.02 0.13 0.88 -1.17 0.02 0.00 0.00 175.26 175.14 1qfo s LEU 70 N -0.13 4.66 -0.64 1.80 2.96 -1.26 -0.54 118.68 125.53 1qfo s LEU 70 Ca 0.02 -1.07 -0.02 0.00 -0.22 0.00 0.00 54.13 52.84 1qfo s LEU 70 Cb -0.02 -2.41 0.37 0.00 0.50 0.00 0.00 46.19 44.62 1qfo s LEU 70 CO -0.00 -1.32 2.09 0.23 -1.32 0.00 0.00 176.35 176.02 1qfo n MET 71 N 7.27 2.55 -1.73 1.98 2.81 -0.47 -4.88 117.12 124.64 1qfo n MET 71 Ca -0.05 -3.02 0.00 0.00 -1.81 0.00 0.00 57.70 52.82 1qfo n MET 71 Cb 0.45 -2.18 0.00 0.00 -0.71 0.00 0.00 33.22 30.78 1qfo n MET 71 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1qfo n GLY 72 N -0.52 4.45 3.20 3.03 0.00 -1.23 -4.51 105.19 109.61 1qfo n GLY 72 Ca 0.55 -2.19 -0.08 0.00 0.00 0.00 0.00 46.02 44.31 1qfo n GLY 72 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1qfo s ASN 73 N -0.79 -0.23 0.28 1.61 2.47 -0.46 -4.96 114.94 112.85 1qfo s ASN 73 Ca 0.00 0.85 -0.02 0.00 0.42 0.00 0.00 52.86 54.11 1qfo s ASN 73 Cb 0.00 1.37 0.42 0.00 -1.45 0.00 0.00 41.25 41.59 1qfo s ASN 73 CO 0.00 -0.25 1.90 0.24 -3.72 0.00 0.00 177.10 175.27 1qfo h MET 74 N 8.16 1.13 0.00 0.43 2.86 -1.96 -0.51 114.93 125.04 1qfo h MET 74 Ca -0.17 -0.07 -0.06 0.00 -2.06 0.00 0.00 59.70 57.34 1qfo h MET 74 Cb 1.12 -0.26 -0.01 0.00 0.06 0.00 0.00 31.60 32.52 1qfo h MET 74 CO 0.16 0.75 -0.28 -0.44 1.06 0.00 0.00 176.91 178.15 1qfo h ASP 75 N 1.17 0.00 -0.10 1.22 3.32 -1.96 -2.12 116.42 117.94 1qfo h ASP 75 Ca 0.41 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.46 1qfo h ASP 75 Cb 0.12 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.67 1qfo h ASP 75 CO -0.15 0.28 0.00 1.41 -1.72 0.00 0.00 179.24 179.07 1qfo n HIS 76 N -4.18 0.11 -3.55 4.55 8.25 -0.59 -4.96 115.22 114.84 1qfo n HIS 76 Ca -0.02 -0.05 -0.23 0.00 -0.26 0.00 0.00 57.72 57.15 1qfo n HIS 76 Cb 0.33 0.00 0.08 0.00 1.12 0.00 0.00 29.99 31.52 1qfo n HIS 76 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1qfo n LYS 77 N 0.85 -7.72 -5.05 -0.41 5.02 -0.30 -4.96 118.16 105.60 1qfo n LYS 77 Ca 0.17 0.82 -0.32 0.00 -2.02 0.00 0.00 58.31 56.95 1qfo n LYS 77 Cb 0.49 -5.82 -0.15 0.00 -0.02 0.00 0.00 35.03 29.52 1qfo n LYS 77 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1qfo s VAL 78 N -3.31 2.53 -0.15 -0.18 1.01 -0.79 -2.41 120.40 117.11 1qfo s VAL 78 Ca 0.57 -0.88 0.15 0.00 0.00 0.00 0.00 61.98 61.82 1qfo s VAL 78 Cb -0.25 -1.99 0.33 0.00 0.00 0.00 0.00 36.38 34.47 1qfo s VAL 78 CO 0.70 0.56 1.17 0.00 0.00 0.00 0.00 175.10 177.53 1qfo n ASN 80 N -1.19 0.33 -4.31 0.00 3.02 -1.23 -4.64 115.26 107.24 1qfo n ASN 80 Ca 0.16 1.14 -0.34 0.00 -0.03 0.00 0.00 54.58 55.52 1qfo n ASN 80 Cb 0.68 -1.04 -0.15 0.00 -0.61 0.00 0.00 39.78 38.66 1qfo n ASN 80 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1qfo s LEU 81 N 0.80 2.66 -0.23 3.41 2.96 -0.61 -1.37 118.68 126.29 1qfo s LEU 81 Ca 0.80 -0.40 -0.06 0.00 -0.22 0.00 0.00 54.13 54.25 1qfo s LEU 81 Cb -1.06 -1.62 -0.02 0.00 0.50 0.00 0.00 46.19 43.99 1qfo s LEU 81 CO 0.54 0.09 0.03 -0.22 -1.32 0.00 0.00 176.35 175.47 1qfo s LEU 82 N 0.82 3.29 -0.17 -0.68 2.96 0.30 -0.26 118.68 124.94 1qfo s LEU 82 Ca -0.04 -0.25 -0.04 0.00 -0.22 0.00 0.00 54.13 53.59 1qfo s LEU 82 Cb -0.15 -1.87 -0.02 0.00 0.50 0.00 0.00 46.19 44.65 1qfo s LEU 82 CO 0.01 -0.02 -0.04 -0.76 -1.32 0.00 0.00 176.35 174.22 1qfo s LEU 83 N 1.48 3.14 0.30 -0.68 1.43 0.28 -0.64 118.68 124.00 1qfo s LEU 83 Ca 0.06 -0.20 0.09 0.00 -1.03 0.00 0.00 54.13 53.04 1qfo s LEU 83 Cb -0.15 -1.77 -0.05 0.00 0.03 0.00 0.00 46.19 44.26 1qfo s LEU 83 CO 0.02 0.12 0.03 -0.54 0.23 0.00 0.00 176.35 176.21 1qfo s LYS 84 N 0.66 2.25 -1.17 1.70 1.02 0.17 -0.66 119.74 123.70 1qfo s LYS 84 Ca -0.02 -1.54 -0.19 0.00 0.02 0.00 0.00 55.97 54.24 1qfo s LYS 84 Cb -0.14 -2.10 -0.01 0.00 -0.52 0.00 0.00 37.83 35.06 1qfo s LYS 84 CO 0.02 0.25 0.75 -0.25 -0.92 0.00 0.00 175.35 175.20 1qfo n ASP 85 N -0.97 -4.64 -4.71 2.83 9.92 -1.15 -4.83 116.55 113.00 1qfo n ASP 85 Ca -0.05 -1.03 -0.42 0.00 -0.53 0.00 0.00 54.79 52.76 1qfo n ASP 85 Cb 0.60 -3.27 -0.03 0.00 -0.64 0.00 0.00 41.12 37.78 1qfo n ASP 85 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1qfo s LEU 86 N -6.58 4.38 0.12 0.64 1.43 -0.92 -4.68 118.68 113.06 1qfo s LEU 86 Ca 0.42 2.86 0.08 0.00 -1.03 0.00 0.00 54.13 56.45 1qfo s LEU 86 Cb -0.15 -3.59 -0.04 0.00 0.03 0.00 0.00 46.19 42.43 1qfo s LEU 86 CO 0.87 -0.98 -0.10 -0.54 0.23 0.00 0.00 176.35 175.82 1qfo s LYS 87 N 1.46 2.08 0.60 1.70 3.01 -1.26 -0.08 119.74 127.25 1qfo s LYS 87 Ca 0.76 -1.09 0.30 0.00 -1.01 0.00 0.00 55.97 54.93 1qfo s LYS 87 Cb -0.49 -2.26 1.70 0.00 -1.01 0.00 0.00 37.83 35.77 1qfo s LYS 87 CO 0.33 0.49 2.09 -1.35 0.51 0.00 0.00 175.35 177.41 1qfo h PRO 88 N 3.45 0.00 0.00 -1.68 0.11 -1.95 0.15 132.00 132.08 1qfo h PRO 88 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1qfo h PRO 88 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1qfo h PRO 88 CO 0.52 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.70 1qfo n GLU 89 N -3.64 0.02 0.04 1.05 4.71 -1.26 -2.75 120.64 118.81 1qfo n GLU 89 Ca 0.01 0.13 0.13 0.00 -0.01 0.00 0.00 57.16 57.42 1qfo n GLU 89 Cb 0.34 -1.50 0.52 0.00 -1.01 0.00 0.00 31.44 29.78 1qfo n GLU 89 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1qfo n ASP 90 N -1.49 0.28 -4.76 1.62 8.00 0.52 -4.82 116.55 115.89 1qfo n ASP 90 Ca 0.05 0.53 -0.41 0.00 0.71 0.00 0.00 54.79 55.68 1qfo n ASP 90 Cb 0.25 -0.61 -0.01 0.00 -0.02 0.00 0.00 41.12 40.73 1qfo n ASP 90 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1qfo s SER 91 N -3.53 6.41 0.00 -2.24 0.01 -1.11 -4.85 113.70 108.40 1qfo s SER 91 Ca 0.12 2.95 0.00 0.00 1.31 0.00 0.00 55.95 60.33 1qfo s SER 91 Cb 0.15 -2.65 0.00 0.00 0.21 0.00 0.00 66.02 63.73 1qfo s SER 91 CO 0.51 -0.85 0.00 0.61 0.41 0.00 0.00 173.24 173.92 1qfo n GLY 92 N 1.26 -0.25 3.54 3.44 0.00 -0.62 -4.98 105.19 107.58 1qfo n GLY 92 Ca 0.04 -1.39 -0.34 0.00 0.00 0.00 0.00 46.02 44.33 1qfo n GLY 92 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1qfo s THR 93 N -2.89 3.99 -0.11 2.61 2.01 -1.26 0.21 115.64 120.21 1qfo s THR 93 Ca 0.00 -0.33 0.01 0.00 0.31 0.00 0.00 61.69 61.68 1qfo s THR 93 Cb 0.00 -2.73 -0.02 0.00 0.01 0.00 0.00 72.50 69.76 1qfo s THR 93 CO 0.00 0.52 -0.14 -0.31 -0.69 0.00 0.00 174.62 174.00 1qfo s TYR 94 N 0.08 2.77 -0.03 4.92 1.51 0.19 -1.56 117.35 125.23 1qfo s TYR 94 Ca 0.00 -0.56 0.05 0.00 -1.01 0.00 0.00 57.07 55.56 1qfo s TYR 94 Cb -0.13 -1.79 -0.01 0.00 -0.11 0.00 0.00 41.96 39.92 1qfo s TYR 94 CO 0.03 -0.13 -0.19 -0.80 -1.11 0.00 0.00 175.55 173.34 1qfo s ASN 95 N 0.11 2.29 -0.02 2.29 -0.87 -0.42 -0.42 114.94 117.89 1qfo s ASN 95 Ca -0.06 -0.36 -0.04 0.00 -1.57 0.00 0.00 52.86 50.82 1qfo s ASN 95 Cb -0.15 -0.44 -0.04 0.00 -0.02 0.00 0.00 41.25 40.60 1qfo s ASN 95 CO 0.05 0.20 0.20 0.12 -2.57 0.00 0.00 177.10 175.10 1qfo s PHE 96 N -0.23 3.56 -0.01 2.20 5.36 -1.26 -0.37 117.98 127.23 1qfo s PHE 96 Ca 0.02 0.43 -0.01 0.00 -0.96 0.00 0.00 56.93 56.41 1qfo s PHE 96 Cb -0.10 -1.88 0.01 0.00 -0.34 0.00 0.00 43.02 40.71 1qfo s PHE 96 CO 0.01 0.65 0.03 0.50 -1.46 0.00 0.00 175.22 174.95 1qfo s ARG 97 N -1.76 0.03 0.01 10.12 3.52 0.64 -1.44 118.95 130.06 1qfo s ARG 97 Ca 0.25 0.07 0.03 0.00 -0.13 0.00 0.00 55.73 55.95 1qfo s ARG 97 Cb -0.13 -0.02 -0.01 0.00 -1.56 0.00 0.00 34.95 33.23 1qfo s ARG 97 CO 0.16 -0.03 -0.10 -0.59 -0.81 0.00 0.00 175.30 173.93 1qfo s PHE 98 N 0.18 0.86 -0.07 5.12 -0.71 -0.67 -0.71 117.98 121.99 1qfo s PHE 98 Ca -0.01 -0.22 0.03 0.00 -1.04 0.00 0.00 56.93 55.68 1qfo s PHE 98 Cb -0.02 -0.54 0.01 0.00 -1.21 0.00 0.00 43.02 41.26 1qfo s PHE 98 CO -0.01 -0.01 -0.15 -1.21 -1.34 0.00 0.00 175.22 172.50 1qfo s GLU 99 N -0.53 1.96 -0.20 1.99 2.02 -0.19 -1.12 118.70 122.64 1qfo s GLU 99 Ca 0.02 -0.53 -0.07 0.00 0.02 0.00 0.00 54.97 54.41 1qfo s GLU 99 Cb -0.05 -1.59 -0.09 0.00 0.10 0.00 0.00 34.13 32.50 1qfo s GLU 99 CO 0.00 0.09 -0.23 -0.89 0.02 0.00 0.00 175.26 174.24 1qfo n ILE 100 N 3.66 1.08 0.00 -1.63 5.41 -0.29 -0.61 119.36 126.99 1qfo n ILE 100 Ca -0.21 -0.31 0.00 0.00 1.00 0.00 0.00 62.75 63.22 1qfo n ILE 100 Cb 0.52 -1.61 0.00 0.00 -0.71 0.00 0.00 39.64 37.84 1qfo n ILE 100 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 1qfo n SER 101 N -3.67 0.00 0.00 4.38 3.41 -1.26 -4.79 113.62 111.69 1qfo n SER 101 Ca -0.38 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.23 1qfo n SER 101 Cb 0.80 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.75 1qfo n SER 101 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1qfo n SER 103 N 0.00 0.00 -4.40 4.04 2.88 -1.26 -4.69 113.62 110.19 1qfo n SER 103 Ca 0.00 0.00 -0.45 0.00 -1.33 0.00 0.00 58.87 57.09 1qfo n SER 103 Cb 0.00 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.45 1qfo n SER 103 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 1qfo s ASN 104 N 0.00 6.96 0.11 -3.46 0.01 -1.26 -4.93 114.94 112.37 1qfo s ASN 104 Ca 0.00 -2.85 -0.12 0.00 -0.71 0.00 0.00 52.86 49.19 1qfo s ASN 104 Cb 0.00 -2.32 0.01 0.00 0.41 0.00 0.00 41.25 39.36 1qfo s ASN 104 CO 0.00 -0.68 0.28 0.00 -1.51 0.00 0.00 177.10 175.19 1qfo s ARG 105 N 0.87 0.95 -0.12 -0.60 1.70 -1.26 -1.13 118.95 119.36 1qfo s ARG 105 Ca 0.32 -0.86 -0.14 0.00 -0.47 0.00 0.00 55.73 54.57 1qfo s ARG 105 Cb -0.06 0.40 0.04 0.00 -0.57 0.00 0.00 34.95 34.75 1qfo s ARG 105 CO -0.06 -0.34 0.39 -0.46 -1.08 0.00 0.00 175.30 173.75 1qfo s TRP 106 N -3.84 -0.39 -0.10 5.89 -0.11 -0.27 -5.01 118.94 115.11 1qfo s TRP 106 Ca 0.05 0.90 0.03 0.00 1.22 0.00 0.00 56.10 58.29 1qfo s TRP 106 Cb 0.04 0.15 0.01 0.00 -1.50 0.00 0.00 33.47 32.16 1qfo s TRP 106 CO -0.11 -0.26 -0.20 -1.17 -4.62 0.00 0.00 176.95 170.59 1qfo s LEU 107 N -0.16 1.94 -0.45 5.86 2.96 -1.26 -1.67 118.68 125.90 1qfo s LEU 107 Ca -0.03 -0.49 -0.27 0.00 -0.22 0.00 0.00 54.13 53.12 1qfo s LEU 107 Cb -0.03 -1.24 0.03 0.00 0.50 0.00 0.00 46.19 45.44 1qfo s LEU 107 CO 0.02 0.10 0.99 -0.62 -1.32 0.00 0.00 176.35 175.51 1qfo s ASP 108 N 0.59 6.56 0.35 3.68 2.15 -0.52 -4.89 116.67 124.59 1qfo s ASP 108 Ca -0.14 0.28 0.25 0.00 0.43 0.00 0.00 52.55 53.37 1qfo s ASP 108 Cb -0.17 -2.48 0.65 0.00 -0.30 0.00 0.00 42.92 40.62 1qfo s ASP 108 CO 0.04 -1.08 1.71 -0.37 -0.17 0.00 0.00 175.17 175.30 1qfo h VAL 109 N 6.09 0.00 0.00 1.11 -1.51 -1.98 -3.35 116.25 116.61 1qfo h VAL 109 Ca -0.24 -0.70 -0.04 0.00 -1.23 0.00 0.00 66.70 64.49 1qfo h VAL 109 Cb 1.07 1.69 -0.01 0.00 -2.13 0.00 0.00 31.29 31.91 1qfo h VAL 109 CO 1.05 0.00 -0.26 0.11 -1.23 0.00 0.00 177.57 177.24 1qfo h LYS 110 N 0.00 0.00 0.00 5.19 1.79 -1.96 -3.50 116.57 118.08 1qfo h LYS 110 Ca 0.00 0.00 0.07 0.00 -2.18 0.00 0.00 60.65 58.54 1qfo h LYS 110 Cb 0.82 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.45 1qfo h LYS 110 CO 0.00 0.51 -0.09 0.41 -1.08 0.00 0.00 179.45 179.21 1qfo n GLY 111 N 1.64 -1.46 3.31 3.86 0.00 -1.26 -4.86 105.19 106.43 1qfo n GLY 111 Ca -0.09 -1.16 -0.32 0.00 0.00 0.00 0.00 46.02 44.44 1qfo n GLY 111 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1qfo s THR 112 N -0.44 2.51 -0.23 2.61 2.01 0.44 -4.62 115.64 117.91 1qfo s THR 112 Ca 0.00 -0.87 -0.17 0.00 0.31 0.00 0.00 61.69 60.96 1qfo s THR 112 Cb 0.00 -1.99 -0.03 0.00 0.01 0.00 0.00 72.50 70.48 1qfo s THR 112 CO 0.00 0.55 0.45 -0.89 -0.69 0.00 0.00 174.62 174.04 1qfo s THR 113 N 0.14 5.14 -0.19 -0.82 2.01 -0.26 -0.63 115.64 121.02 1qfo s THR 113 Ca -0.10 0.77 -0.08 0.00 0.31 0.00 0.00 61.69 62.58 1qfo s THR 113 Cb -0.16 -3.77 -0.04 0.00 0.01 0.00 0.00 72.50 68.54 1qfo s THR 113 CO 0.06 0.17 0.09 -0.69 -0.69 0.00 0.00 174.62 173.55 1qfo s VAL 114 N 1.83 4.96 -0.17 3.82 1.01 0.13 -1.54 120.40 130.44 1qfo s VAL 114 Ca 0.20 0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.21 1qfo s VAL 114 Cb -0.15 -3.25 0.01 0.00 0.00 0.00 0.00 36.38 32.99 1qfo s VAL 114 CO 0.09 0.44 -0.17 -0.89 0.00 0.00 0.00 175.10 174.57 1qfo s THR 115 N 0.46 2.38 -0.30 3.92 2.01 -0.42 -1.60 115.64 122.10 1qfo s THR 115 Ca 0.05 -0.85 -0.08 0.00 0.31 0.00 0.00 61.69 61.12 1qfo s THR 115 Cb -0.12 -2.01 0.00 0.00 0.01 0.00 0.00 72.50 70.38 1qfo s THR 115 CO 0.00 0.52 0.10 -0.69 -0.69 0.00 0.00 174.62 173.86 1qfo s VAL 116 N 1.13 4.16 0.28 3.82 1.01 -1.26 -1.21 120.40 128.34 1qfo s VAL 116 Ca 0.01 -0.58 0.02 0.00 0.00 0.00 0.00 61.98 61.43 1qfo s VAL 116 Cb -0.14 -3.13 -0.03 0.00 0.00 0.00 0.00 36.38 33.08 1qfo s VAL 116 CO -0.07 0.09 0.45 0.28 0.00 0.00 0.00 175.10 175.85 1qfo s THR 117 N 1.54 5.19 0.00 3.92 -1.32 -0.27 -4.83 115.64 119.87 1qfo s THR 117 Ca 0.03 -0.70 0.00 0.00 -1.21 0.00 0.00 61.69 59.82 1qfo s THR 117 Cb -0.17 -3.85 0.00 0.00 -1.51 0.00 0.00 72.50 66.97 1qfo s THR 117 CO 0.04 -0.41 0.00 1.07 -2.21 0.00 0.00 174.62 173.10