#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 3.64 0.00 4.78 0.52 -1.26 -3.00 118.94 123.62 1qfo s TRP 2 Ca 0.00 1.05 0.00 0.00 0.02 0.00 0.00 56.10 57.17 1qfo s TRP 2 Cb 0.00 -2.35 0.00 0.00 -1.15 0.00 0.00 33.47 29.97 1qfo s TRP 2 CO 0.00 0.48 0.00 0.41 0.02 0.00 0.00 176.95 177.86 1qfo n GLY 3 N 1.04 0.78 2.91 0.98 0.00 -0.45 -4.95 105.19 105.49 1qfo n GLY 3 Ca -0.07 -0.69 -0.13 0.00 0.00 0.00 0.00 46.02 45.13 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 0.12 -0.14 1.61 1.01 -1.26 -0.80 120.40 118.93 1qfo s VAL 4 Ca 0.00 -0.18 -0.02 0.00 0.00 0.00 0.00 61.98 61.78 1qfo s VAL 4 Cb 0.00 -0.13 0.04 0.00 0.00 0.00 0.00 36.38 36.30 1qfo s VAL 4 CO 0.00 -0.04 0.01 -0.55 0.00 0.00 0.00 175.10 174.52 1qfo s SER 5 N -0.23 2.34 0.08 3.32 0.15 0.38 -4.99 113.70 114.74 1qfo s SER 5 Ca -0.02 -0.49 0.01 0.00 0.70 0.00 0.00 55.95 56.16 1qfo s SER 5 Cb -0.02 -0.56 -0.04 0.00 -1.71 0.00 0.00 66.02 63.69 1qfo s SER 5 CO -0.00 -0.24 -0.06 -0.44 1.20 0.00 0.00 173.24 173.70 1qfo s SER 6 N 1.88 0.92 0.72 5.45 0.01 -1.26 -1.96 113.70 119.46 1qfo s SER 6 Ca 0.02 -0.91 -0.16 0.00 1.31 0.00 0.00 55.95 56.21 1qfo s SER 6 Cb -0.15 0.11 0.03 0.00 0.21 0.00 0.00 66.02 66.22 1qfo s SER 6 CO -0.07 -0.44 1.25 -2.84 0.41 0.00 0.00 173.24 171.54 1qfo s PRO 7 N -3.39 2.12 0.09 12.44 0.02 -1.26 -4.88 135.00 140.14 1qfo s PRO 7 Ca 0.06 1.90 -0.14 0.00 0.02 0.00 0.00 61.00 62.84 1qfo s PRO 7 Cb 0.03 -1.81 -0.16 0.00 0.02 0.00 0.00 34.50 32.58 1qfo s PRO 7 CO -0.05 -1.89 1.30 0.87 -0.33 0.00 0.00 177.00 176.91 1qfo h LYS 8 N -0.16 0.76 -3.94 5.54 1.57 -1.93 -3.36 116.57 115.04 1qfo h LYS 8 Ca -0.49 -0.60 -0.24 0.00 -1.87 0.00 0.00 60.65 57.46 1qfo h LYS 8 Cb 1.31 0.12 -0.26 0.00 0.08 0.00 0.00 32.23 33.48 1qfo h LYS 8 CO 0.50 1.21 -0.72 -0.80 -0.57 0.00 0.00 179.45 179.07 1qfo s ASN 9 N -7.01 0.22 0.02 0.86 0.01 -1.26 -0.97 114.94 106.81 1qfo s ASN 9 Ca -0.11 -0.16 0.00 0.00 -0.71 0.00 0.00 52.86 51.89 1qfo s ASN 9 Cb 0.08 0.01 -0.02 0.00 0.41 0.00 0.00 41.25 41.74 1qfo s ASN 9 CO 0.89 -0.06 -0.03 0.68 -1.51 0.00 0.00 177.10 177.06 1qfo s VAL 10 N -0.42 0.18 0.04 1.60 -7.23 -0.57 -4.94 120.40 109.07 1qfo s VAL 10 Ca -0.04 -0.76 0.07 0.00 -1.81 0.00 0.00 61.98 59.44 1qfo s VAL 10 Cb -0.03 -0.28 -0.02 0.00 0.56 0.00 0.00 36.38 36.60 1qfo s VAL 10 CO -0.00 -0.37 -0.18 -1.10 -0.31 0.00 0.00 175.10 173.13 1qfo s GLN 11 N -1.18 1.23 0.17 4.82 -0.21 -1.26 -2.03 119.66 121.19 1qfo s GLN 11 Ca -0.12 -0.89 -0.06 0.00 0.02 0.00 0.00 55.36 54.32 1qfo s GLN 11 Cb -0.08 -1.31 -0.02 0.00 1.00 0.00 0.00 33.01 32.59 1qfo s GLN 11 CO -0.01 0.33 0.22 0.20 -2.12 0.00 0.00 175.29 173.91 1qfo s GLY 12 N -1.19 0.79 -0.05 3.09 0.00 -0.77 -4.97 107.32 104.22 1qfo s GLY 12 Ca 0.05 -1.19 -0.10 0.00 0.00 0.00 0.00 44.72 43.49 1qfo s GLY 12 CO 0.02 -1.06 0.27 1.08 0.00 0.00 0.00 173.10 173.41 1qfo s LEU 13 N -3.03 4.42 0.32 0.66 1.43 -1.26 -1.71 118.68 119.51 1qfo s LEU 13 Ca 0.23 0.68 -0.29 0.00 -1.03 0.00 0.00 54.13 53.72 1qfo s LEU 13 Cb 0.05 -2.38 -0.12 0.00 0.03 0.00 0.00 46.19 43.77 1qfo s LEU 13 CO 0.04 0.35 1.46 -0.24 0.23 0.00 0.00 176.35 178.18 1qfo n SER 14 N 1.77 3.39 0.00 2.29 2.88 -0.33 -1.74 113.62 121.87 1qfo n SER 14 Ca -0.16 1.18 0.00 0.00 -1.33 0.00 0.00 58.87 58.56 1qfo n SER 14 Cb 0.54 -1.55 0.00 0.00 -0.75 0.00 0.00 64.21 62.45 1qfo n SER 14 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1qfo n GLY 15 N 1.33 1.69 0.00 0.46 0.00 0.13 -4.91 105.19 103.88 1qfo n GLY 15 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1qfo n GLY 15 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1qfo n SER 16 N 0.00 0.50 -4.43 1.61 7.64 -0.71 -4.54 113.62 113.69 1qfo n SER 16 Ca 0.00 -0.60 -0.22 0.00 1.01 0.00 0.00 58.87 59.06 1qfo n SER 16 Cb 0.00 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.10 1qfo n SER 16 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1qfo s LEU 18 N -3.45 1.25 -0.18 0.00 2.96 0.19 -4.88 118.68 114.58 1qfo s LEU 18 Ca 0.28 0.29 -0.04 0.00 -0.22 0.00 0.00 54.13 54.43 1qfo s LEU 18 Cb -0.01 0.45 -0.02 0.00 0.50 0.00 0.00 46.19 47.10 1qfo s LEU 18 CO 0.12 -0.08 -0.02 -0.22 -1.32 0.00 0.00 176.35 174.83 1qfo s LEU 19 N 0.39 3.20 -0.43 -0.68 2.96 -1.26 -0.54 118.68 122.32 1qfo s LEU 19 Ca -0.03 -0.20 -0.15 0.00 -0.22 0.00 0.00 54.13 53.54 1qfo s LEU 19 Cb -0.04 -1.80 0.04 0.00 0.50 0.00 0.00 46.19 44.90 1qfo s LEU 19 CO -0.02 0.10 0.34 -0.63 -1.32 0.00 0.00 176.35 174.82 1qfo s ILE 20 N 0.80 5.22 0.48 6.68 1.01 0.15 -4.96 121.20 130.57 1qfo s ILE 20 Ca -0.00 -0.84 -0.23 0.00 0.00 0.00 0.00 60.65 59.57 1qfo s ILE 20 Cb -0.14 -4.00 -0.07 0.00 0.01 0.00 0.00 42.46 38.26 1qfo s ILE 20 CO 0.02 -0.42 1.29 -2.16 0.00 0.00 0.00 174.94 173.67 1qfo s PRO 21 N 1.66 3.56 -0.24 2.79 0.04 -1.26 -1.96 135.00 139.59 1qfo s PRO 21 Ca 0.04 2.09 -0.21 0.00 0.04 0.00 0.00 61.00 62.96 1qfo s PRO 21 Cb -0.21 -2.45 0.06 0.00 0.04 0.00 0.00 34.50 31.94 1qfo s PRO 21 CO 0.08 -0.80 0.63 0.00 0.04 0.00 0.00 177.00 176.96 1qfo s ILE 23 N 0.49 0.46 0.17 0.00 -4.36 -0.83 -0.88 121.20 116.26 1qfo s ILE 23 Ca -0.01 -1.55 -0.10 0.00 -0.26 0.00 0.00 60.65 58.73 1qfo s ILE 23 Cb -0.05 -1.18 -0.01 0.00 1.25 0.00 0.00 42.46 42.48 1qfo s ILE 23 CO -0.02 -0.73 0.31 0.72 0.24 0.00 0.00 174.94 175.47 1qfo s PHE 24 N -2.83 0.37 0.09 1.37 -0.71 -0.81 -0.47 117.98 114.99 1qfo s PHE 24 Ca 0.01 -0.73 -0.13 0.00 -1.04 0.00 0.00 56.93 55.04 1qfo s PHE 24 Cb -0.00 -0.02 0.02 0.00 -1.21 0.00 0.00 43.02 41.81 1qfo s PHE 24 CO -0.04 -0.75 0.31 -1.54 -1.34 0.00 0.00 175.22 171.86 1qfo s SER 25 N -2.97 -0.10 0.16 1.98 1.04 0.02 -4.77 113.70 109.06 1qfo s SER 25 Ca 0.17 -0.36 -0.18 0.00 0.48 0.00 0.00 55.95 56.07 1qfo s SER 25 Cb 0.03 0.40 0.04 0.00 0.10 0.00 0.00 66.02 66.58 1qfo s SER 25 CO 0.01 -0.73 0.48 -0.72 0.98 0.00 0.00 173.24 173.25 1qfo s TYR 26 N -3.37 -0.21 0.21 5.02 1.13 -1.16 -1.34 117.35 117.63 1qfo s TYR 26 Ca 0.01 -0.10 -0.32 0.00 -1.41 0.00 0.00 57.07 55.24 1qfo s TYR 26 Cb 0.02 0.36 -0.14 0.00 -1.10 0.00 0.00 41.96 41.10 1qfo s TYR 26 CO -0.09 -0.82 1.41 -2.30 -2.51 0.00 0.00 175.55 171.25 1qfo n PRO 27 N -0.30 1.93 0.28 -3.49 -0.02 -1.26 -4.87 135.00 127.27 1qfo n PRO 27 Ca -0.13 0.69 0.17 0.00 -2.02 0.00 0.00 63.50 62.20 1qfo n PRO 27 Cb 0.63 -2.35 0.78 0.00 -0.02 0.00 0.00 33.50 32.55 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 4.48 1.07 0.00 3.55 0.00 -2.00 -2.46 119.26 123.90 1qfo h ALA 28 Ca -0.45 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1qfo h ALA 28 Cb 1.28 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1qfo h ALA 28 CO 0.78 0.07 0.00 -0.40 0.00 0.00 0.00 179.25 179.70 1qfo n ASP 29 N -3.26 0.00 -4.78 0.00 5.68 -1.26 -4.77 116.55 108.17 1qfo n ASP 29 Ca -0.01 -1.51 -0.37 0.00 -0.50 0.00 0.00 54.79 52.41 1qfo n ASP 29 Cb 0.25 0.00 -0.07 0.00 -1.14 0.00 0.00 41.12 40.17 1qfo n ASP 29 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 1qfo s VAL 30 N -2.00 5.31 0.00 2.12 1.01 -0.93 -5.30 120.40 120.62 1qfo s VAL 30 Ca 0.18 0.48 0.00 0.00 0.00 0.00 0.00 61.98 62.65 1qfo s VAL 30 Cb 0.08 -3.58 0.00 0.00 0.00 0.00 0.00 36.38 32.89 1qfo s VAL 30 CO 0.14 0.48 0.00 -0.81 0.00 0.00 0.00 175.10 174.91 1qfo n PRO 31 N 2.92 1.86 -0.89 2.72 -0.04 -1.26 -5.03 135.00 135.29 1qfo n PRO 31 Ca -0.14 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 62.98 1qfo n PRO 31 Cb 0.53 0.00 0.12 0.00 -0.04 0.00 0.00 33.50 34.10 1qfo n PRO 31 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1qfo n GLY 35 N 3.17 -1.61 3.36 0.55 0.00 -1.26 -5.14 105.19 104.26 1qfo n GLY 35 Ca 0.00 -0.66 -0.34 0.00 0.00 0.00 0.00 46.02 45.02 1qfo n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qfo s ILE 36 N -2.31 3.20 -0.15 -0.61 1.01 -1.26 -4.66 121.20 116.43 1qfo s ILE 36 Ca 0.61 -0.59 -0.19 0.00 0.00 0.00 0.00 60.65 60.48 1qfo s ILE 36 Cb -0.24 -2.39 -0.04 0.00 0.01 0.00 0.00 42.46 39.81 1qfo s ILE 36 CO 0.64 0.49 0.53 -0.89 0.00 0.00 0.00 174.94 175.71 1qfo s THR 37 N 0.71 5.13 -0.15 2.92 2.01 -0.07 -4.91 115.64 121.27 1qfo s THR 37 Ca -0.05 1.04 -0.05 0.00 0.31 0.00 0.00 61.69 62.94 1qfo s THR 37 Cb -0.15 -3.87 -0.03 0.00 0.01 0.00 0.00 72.50 68.46 1qfo s THR 37 CO 0.02 0.25 0.02 0.00 -0.69 0.00 0.00 174.62 174.22 1qfo s ALA 38 N 1.10 3.27 -0.02 7.40 0.00 -1.26 -0.98 121.76 131.27 1qfo s ALA 38 Ca 0.27 -0.78 0.00 0.00 0.00 0.00 0.00 51.96 51.46 1qfo s ALA 38 Cb -0.16 -1.71 0.02 0.00 0.00 0.00 0.00 23.12 21.28 1qfo s ALA 38 CO 0.11 0.30 0.01 0.42 0.00 0.00 0.00 175.76 176.61 1qfo s ILE 39 N 0.02 0.04 -0.12 0.00 1.01 -0.02 -1.16 121.20 120.98 1qfo s ILE 39 Ca 0.04 0.13 0.01 0.00 0.00 0.00 0.00 60.65 60.82 1qfo s ILE 39 Cb -0.13 -0.15 -0.01 0.00 0.01 0.00 0.00 42.46 42.18 1qfo s ILE 39 CO 0.02 0.10 -0.15 0.26 0.00 0.00 0.00 174.94 175.17 1qfo s TRP 40 N 0.89 2.77 0.21 3.97 0.52 -0.80 -0.54 118.94 125.96 1qfo s TRP 40 Ca -0.08 -0.70 0.08 0.00 0.02 0.00 0.00 56.10 55.42 1qfo s TRP 40 Cb -0.11 -1.82 -0.04 0.00 -1.15 0.00 0.00 33.47 30.35 1qfo s TRP 40 CO -0.02 -0.24 0.03 0.71 0.02 0.00 0.00 176.95 177.46 1qfo s TYR 41 N 0.33 2.85 -0.09 -1.98 2.02 0.54 -0.66 117.35 120.36 1qfo s TYR 41 Ca -0.12 -0.15 0.04 0.00 -0.37 0.00 0.00 57.07 56.47 1qfo s TYR 41 Cb -0.16 -1.33 0.00 0.00 -0.40 0.00 0.00 41.96 40.07 1qfo s TYR 41 CO 0.06 0.55 -0.22 -0.47 -1.57 0.00 0.00 175.55 173.90 1qfo s TYR 42 N -1.97 2.34 -1.23 2.71 5.04 0.23 -1.54 117.35 122.93 1qfo s TYR 42 Ca 0.30 -0.92 -0.09 0.00 -2.44 0.00 0.00 57.07 53.92 1qfo s TYR 42 Cb -0.08 -1.58 -0.01 0.00 0.35 0.00 0.00 41.96 40.64 1qfo s TYR 42 CO 0.20 -0.37 0.72 -3.47 -1.34 0.00 0.00 175.55 171.29 1qfo n ASP 43 N 3.50 -3.27 -0.29 4.32 2.03 -0.20 -1.37 116.55 121.28 1qfo n ASP 43 Ca -0.19 -0.91 0.09 0.00 0.52 0.00 0.00 54.79 54.29 1qfo n ASP 43 Cb 0.53 -3.80 0.31 0.00 -0.72 0.00 0.00 41.12 37.44 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 -1.78 0.94 0.00 -0.67 5.03 -1.86 0.69 116.97 119.33 1qfo h TYR 44 Ca -0.63 0.03 -0.01 0.00 2.58 0.00 0.00 58.73 60.70 1qfo h TYR 44 Cb 1.36 -0.30 -0.00 0.00 1.55 0.00 0.00 36.73 39.33 1qfo h TYR 44 CO 0.40 0.40 -0.03 1.03 -1.32 0.00 0.00 178.16 178.64 1qfo h SER 45 N 0.84 0.00 0.00 -2.11 0.87 -1.95 -3.38 113.55 107.82 1qfo h SER 45 Ca 0.43 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.99 1qfo h SER 45 Cb 0.50 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.46 1qfo h SER 45 CO -0.20 0.03 0.00 0.61 -0.53 0.00 0.00 176.83 176.74 1qfo n GLY 46 N 0.50 0.54 0.24 5.77 0.00 0.07 -4.91 105.19 107.40 1qfo n GLY 46 Ca 0.02 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.16 1qfo n GLY 46 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1qfo h LYS 47 N 0.00 0.00 -6.49 1.61 5.09 -1.74 -3.48 116.57 111.56 1qfo h LYS 47 Ca 0.00 0.00 -0.43 0.00 0.09 0.00 0.00 60.65 60.31 1qfo h LYS 47 Cb 0.00 0.00 0.02 0.00 0.10 0.00 0.00 32.23 32.35 1qfo h LYS 47 CO 0.00 0.15 -0.90 -2.13 -2.09 0.00 0.00 179.45 174.48 1qfo n ARG 48 N -3.30 -1.15 -3.54 0.07 0.63 0.22 -4.95 116.66 104.64 1qfo n ARG 48 Ca 0.00 0.64 -0.34 0.00 -0.92 0.00 0.00 57.85 57.23 1qfo n ARG 48 Cb 0.39 -3.21 -0.05 0.00 0.45 0.00 0.00 32.46 30.04 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 -5.46 3.78 -0.17 -0.14 -0.21 -0.47 -4.87 119.66 112.12 1qfo s GLN 49 Ca 0.21 0.20 -0.24 0.00 0.02 0.00 0.00 55.36 55.56 1qfo s GLN 49 Cb -0.10 -2.95 -0.02 0.00 1.00 0.00 0.00 33.01 30.95 1qfo s GLN 49 CO 0.89 0.52 0.76 0.08 -2.12 0.00 0.00 175.29 175.42 1qfo s VAL 50 N -1.47 4.93 -0.22 1.09 1.01 -1.26 -0.60 120.40 123.89 1qfo s VAL 50 Ca 0.36 1.48 -0.13 0.00 0.00 0.00 0.00 61.98 63.68 1qfo s VAL 50 Cb -0.14 -4.07 -0.18 0.00 0.00 0.00 0.00 36.38 31.99 1qfo s VAL 50 CO 0.19 0.06 0.03 0.52 0.00 0.00 0.00 175.10 175.91 1qfo n VAL 51 N 4.68 1.58 -4.02 2.92 0.31 0.17 -0.67 118.33 123.29 1qfo n VAL 51 Ca 0.02 -0.33 -0.13 0.00 -0.01 0.00 0.00 64.34 63.89 1qfo n VAL 51 Cb 0.49 -1.85 -0.13 0.00 -0.91 0.00 0.00 33.84 31.44 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 -2.47 0.27 -0.28 2.52 -1.09 -1.17 -4.80 121.20 114.18 1qfo s ILE 52 Ca -0.31 -0.50 0.01 0.00 -2.23 0.00 0.00 60.65 57.62 1qfo s ILE 52 Cb 0.09 -0.30 0.16 0.00 -1.58 0.00 0.00 42.46 40.82 1qfo s ILE 52 CO 0.60 -0.15 0.40 -2.28 -1.23 0.00 0.00 174.94 172.28 1qfo s HIS 53 N -0.65 -0.97 0.52 3.97 2.46 -1.26 -1.91 115.29 117.45 1qfo s HIS 53 Ca -0.05 0.38 0.18 0.00 0.47 0.00 0.00 55.06 56.05 1qfo s HIS 53 Cb -0.05 -0.14 1.33 0.00 -0.13 0.00 0.00 32.58 33.60 1qfo s HIS 53 CO -0.00 -0.95 2.15 0.77 -2.47 0.00 0.00 174.74 174.24 1qfo h SER 54 N 8.17 0.00 0.04 9.88 0.02 -1.52 -3.10 113.55 127.04 1qfo h SER 54 Ca -0.10 0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 60.66 1qfo h SER 54 Cb 1.12 0.00 0.02 0.00 0.14 0.00 0.00 62.40 63.68 1qfo h SER 54 CO 0.27 0.02 -0.76 1.23 -1.14 0.00 0.00 176.83 176.45 1qfo h GLY 55 N 0.08 0.49 -6.46 -3.77 0.00 -1.94 -3.45 103.07 88.03 1qfo h GLY 55 Ca -0.00 -0.95 -0.23 0.00 0.00 0.00 0.00 47.33 46.15 1qfo h GLY 55 CO 0.00 0.83 -0.56 -0.35 0.00 0.00 0.00 176.54 176.47 1qfo s ASP 56 N -6.92 0.83 0.61 0.19 -1.08 -1.17 -5.02 116.67 104.11 1qfo s ASP 56 Ca -0.13 -0.31 0.38 0.00 -0.52 0.00 0.00 52.55 51.98 1qfo s ASP 56 Cb 0.03 0.86 2.09 0.00 -1.46 0.00 0.00 42.92 44.44 1qfo s ASP 56 CO 0.85 -0.35 2.17 -0.65 0.52 0.00 0.00 175.17 177.71 1qfo h PRO 57 N 8.21 0.00 0.00 4.34 0.11 -1.86 -1.67 132.00 141.13 1qfo h PRO 57 Ca -0.14 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.97 1qfo h PRO 57 Cb 1.12 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 1qfo h PRO 57 CO 0.29 0.00 -0.02 0.87 -0.21 0.00 0.00 178.00 178.93 1qfo h LYS 58 N 0.00 0.00 0.00 1.05 1.57 -1.95 -2.47 116.57 114.77 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 0.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.43 1qfo h LYS 58 CO 0.00 0.02 0.00 -0.07 -0.57 0.00 0.00 179.45 178.83 1qfo h LEU 59 N 0.00 0.00 -9.81 2.94 3.38 -1.67 -3.46 115.31 106.69 1qfo h LEU 59 Ca -0.00 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.44 1qfo h LEU 59 Cb 0.36 0.00 0.07 0.00 0.09 0.00 0.00 40.66 41.18 1qfo h LEU 59 CO 0.00 0.00 0.76 -0.69 0.09 0.00 0.00 178.44 178.60 1qfo s VAL 60 N -3.17 2.49 0.47 1.22 1.01 -0.93 -4.60 120.40 116.89 1qfo s VAL 60 Ca 0.09 0.44 -0.24 0.00 0.00 0.00 0.00 61.98 62.27 1qfo s VAL 60 Cb 0.11 -3.28 -0.07 0.00 0.00 0.00 0.00 36.38 33.14 1qfo s VAL 60 CO 0.57 0.08 1.29 -0.62 0.00 0.00 0.00 175.10 176.42 1qfo s ASP 61 N 0.14 5.87 0.34 3.32 2.15 0.15 -4.84 116.67 123.80 1qfo s ASP 61 Ca 0.57 2.61 0.07 0.00 0.43 0.00 0.00 52.55 56.23 1qfo s ASP 61 Cb -0.43 -2.63 0.76 0.00 -0.30 0.00 0.00 42.92 40.32 1qfo s ASP 61 CO 0.49 -1.15 1.85 0.11 -0.17 0.00 0.00 175.17 176.30 1qfo h LYS 62 N 2.04 0.74 0.00 4.34 1.79 -1.93 -1.28 116.57 122.27 1qfo h LYS 62 Ca -0.50 -0.04 -0.01 0.00 -2.18 0.00 0.00 60.65 57.92 1qfo h LYS 62 Cb 1.27 -0.17 -0.00 0.00 -1.58 0.00 0.00 32.23 31.75 1qfo h LYS 62 CO 0.60 0.49 -0.04 0.07 -1.08 0.00 0.00 179.45 179.49 1qfo h ARG 63 N 0.76 0.00 -0.01 3.15 0.11 -1.95 -2.55 114.38 113.89 1qfo h ARG 63 Ca 0.47 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.55 1qfo h ARG 63 Cb 0.70 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.78 1qfo h ARG 63 CO -0.24 0.04 -0.52 1.19 0.10 0.00 0.00 179.97 180.55 1qfo n PHE 64 N -3.25 0.00 -1.56 4.08 3.72 -0.55 -4.90 117.46 115.01 1qfo n PHE 64 Ca -0.01 0.00 -0.55 0.00 -0.05 0.00 0.00 57.45 56.83 1qfo n PHE 64 Cb 0.21 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.67 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 -0.63 0.98 -1.06 -1.08 3.00 -0.83 -0.83 116.66 116.22 1qfo n ARG 65 Ca 0.05 0.32 -0.02 0.00 -0.00 0.00 0.00 57.85 58.21 1qfo n ARG 65 Cb 0.31 -2.15 -0.01 0.00 0.00 0.00 0.00 32.46 30.61 1qfo n ARG 65 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1qfo n GLY 66 N 5.48 0.45 0.00 5.14 0.00 -1.26 -4.85 105.19 110.15 1qfo n GLY 66 Ca 0.35 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 -1.61 1.15 -3.87 1.61 1.74 -0.01 -5.00 116.66 110.67 1qfo n ARG 67 Ca -0.02 -1.00 -0.11 0.00 -0.77 0.00 0.00 57.85 55.95 1qfo n ARG 67 Cb 0.23 -0.96 -0.12 0.00 -1.02 0.00 0.00 32.46 30.59 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 -0.52 -0.15 -0.03 7.54 0.00 -1.22 -0.16 121.76 127.23 1qfo s ALA 68 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 51.96 51.89 1qfo s ALA 68 Cb 0.00 -0.03 0.01 0.00 0.00 0.00 0.00 23.12 23.10 1qfo s ALA 68 CO 0.00 -0.09 0.17 -1.21 0.00 0.00 0.00 175.76 174.63 1qfo s GLU 69 N -0.48 0.39 -0.21 0.00 2.02 -0.47 -4.97 118.70 114.98 1qfo s GLU 69 Ca -0.05 -0.11 -0.25 0.00 0.02 0.00 0.00 54.97 54.57 1qfo s GLU 69 Cb -0.04 0.17 -0.01 0.00 0.10 0.00 0.00 34.13 34.36 1qfo s GLU 69 CO 0.00 -0.08 0.85 -1.17 0.02 0.00 0.00 175.26 174.87 1qfo s LEU 70 N -0.77 4.12 -0.37 1.80 2.96 -1.26 -0.92 118.68 124.24 1qfo s LEU 70 Ca -0.09 1.12 0.05 0.00 -0.22 0.00 0.00 54.13 55.00 1qfo s LEU 70 Cb -0.05 -3.23 0.46 0.00 0.50 0.00 0.00 46.19 43.87 1qfo s LEU 70 CO 0.01 -0.48 1.39 0.23 -1.32 0.00 0.00 176.35 176.19 1qfo n MET 71 N 5.69 3.23 0.00 1.98 2.81 0.25 -4.96 117.12 126.12 1qfo n MET 71 Ca 0.06 -3.88 0.00 0.00 -1.81 0.00 0.00 57.70 52.06 1qfo n MET 71 Cb 0.48 -2.23 0.00 0.00 -0.71 0.00 0.00 33.22 30.76 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 -0.80 6.56 3.12 3.03 0.00 -1.25 -4.57 105.19 111.28 1qfo n GLY 72 Ca 0.46 -1.90 -0.03 0.00 0.00 0.00 0.00 46.02 44.56 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 1.00 -0.65 0.30 1.61 3.84 -0.17 -4.98 114.94 115.88 1qfo s ASN 73 Ca 0.00 0.71 0.02 0.00 0.21 0.00 0.00 52.86 53.80 1qfo s ASN 73 Cb 0.00 1.71 0.56 0.00 -0.55 0.00 0.00 41.25 42.98 1qfo s ASN 73 CO 0.00 -0.27 1.88 0.24 -2.79 0.00 0.00 177.10 176.16 1qfo h MET 74 N 8.08 0.96 0.00 0.43 2.86 -1.96 0.03 114.93 125.34 1qfo h MET 74 Ca -0.21 -0.06 -0.04 0.00 -2.06 0.00 0.00 59.70 57.34 1qfo h MET 74 Cb 1.15 -0.22 -0.01 0.00 0.06 0.00 0.00 31.60 32.59 1qfo h MET 74 CO 0.24 0.64 -0.18 -0.44 1.06 0.00 0.00 176.91 178.22 1qfo h ASP 75 N 0.99 0.00 -0.12 1.22 3.32 -1.96 -2.02 116.42 117.85 1qfo h ASP 75 Ca 0.44 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.49 1qfo h ASP 75 Cb 0.36 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.91 1qfo h ASP 75 CO -0.20 0.18 0.00 1.41 -1.72 0.00 0.00 179.24 178.91 1qfo n HIS 76 N -3.80 0.13 -2.34 4.55 8.25 -0.09 -4.95 115.22 116.97 1qfo n HIS 76 Ca -0.02 -0.07 -0.14 0.00 -0.26 0.00 0.00 57.72 57.23 1qfo n HIS 76 Cb 0.28 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.39 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 0.92 -1.46 -4.31 -0.41 4.76 -0.66 -4.97 118.16 112.03 1qfo n LYS 77 Ca 0.17 0.68 -0.34 0.00 -2.87 0.00 0.00 58.31 55.95 1qfo n LYS 77 Cb 0.50 -4.97 -0.13 0.00 -1.84 0.00 0.00 35.03 28.58 1qfo n LYS 77 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1qfo s VAL 78 N -2.75 3.46 -0.19 -0.18 1.01 -0.74 -1.92 120.40 119.09 1qfo s VAL 78 Ca 0.03 -0.49 0.14 0.00 0.00 0.00 0.00 61.98 61.66 1qfo s VAL 78 Cb -0.01 -2.52 0.40 0.00 0.00 0.00 0.00 36.38 34.25 1qfo s VAL 78 CO 0.04 0.47 1.27 0.00 0.00 0.00 0.00 175.10 176.88 1qfo n ASN 80 N -1.15 0.59 -4.35 0.00 3.02 -1.24 -4.66 115.26 107.48 1qfo n ASN 80 Ca 0.21 1.15 -0.33 0.00 -0.03 0.00 0.00 54.58 55.58 1qfo n ASN 80 Cb 0.77 -1.12 -0.15 0.00 -0.61 0.00 0.00 39.78 38.67 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 0.98 2.62 -0.19 3.41 2.96 -0.83 -0.58 118.68 127.06 1qfo s LEU 81 Ca 0.74 -0.36 -0.04 0.00 -0.22 0.00 0.00 54.13 54.25 1qfo s LEU 81 Cb -0.93 -1.58 -0.02 0.00 0.50 0.00 0.00 46.19 44.16 1qfo s LEU 81 CO 0.54 0.17 -0.03 -0.22 -1.32 0.00 0.00 176.35 175.50 1qfo s LEU 82 N 0.29 3.13 -0.14 -0.68 2.96 -0.10 0.30 118.68 124.44 1qfo s LEU 82 Ca -0.11 -0.23 -0.01 0.00 -0.22 0.00 0.00 54.13 53.55 1qfo s LEU 82 Cb -0.16 -1.78 -0.02 0.00 0.50 0.00 0.00 46.19 44.74 1qfo s LEU 82 CO 0.06 0.09 -0.10 -0.76 -1.32 0.00 0.00 176.35 174.32 1qfo s LEU 83 N 0.86 2.86 0.23 -0.68 1.43 0.30 -1.37 118.68 122.31 1qfo s LEU 83 Ca -0.00 -0.29 0.09 0.00 -1.03 0.00 0.00 54.13 52.90 1qfo s LEU 83 Cb -0.14 -1.66 -0.04 0.00 0.03 0.00 0.00 46.19 44.37 1qfo s LEU 83 CO 0.02 0.15 -0.03 -0.54 0.23 0.00 0.00 176.35 176.18 1qfo s LYS 84 N 0.46 2.26 -1.29 1.70 1.02 0.78 -0.63 119.74 124.03 1qfo s LYS 84 Ca -0.08 -1.33 -0.11 0.00 0.02 0.00 0.00 55.97 54.47 1qfo s LYS 84 Cb -0.15 -2.19 0.00 0.00 -0.52 0.00 0.00 37.83 34.97 1qfo s LYS 84 CO 0.04 0.40 0.58 -3.47 -0.92 0.00 0.00 175.35 171.98 1qfo n ASP 85 N -0.55 -2.51 -4.65 2.83 2.03 -0.82 -4.85 116.55 108.03 1qfo n ASP 85 Ca -0.08 -1.04 -0.43 0.00 0.52 0.00 0.00 54.79 53.77 1qfo n ASP 85 Cb 0.57 -3.05 -0.00 0.00 -0.72 0.00 0.00 41.12 37.92 1qfo n ASP 85 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1qfo n LEU 86 N -4.38 2.96 -4.28 -2.67 4.77 -0.40 -4.64 117.00 108.36 1qfo n LEU 86 Ca -0.21 1.16 -0.23 0.00 -0.03 0.00 0.00 56.01 56.69 1qfo n LEU 86 Cb 0.64 -1.41 -0.12 0.00 -2.33 0.00 0.00 43.42 40.20 1qfo n LEU 86 CO 0.72 -0.92 -0.51 -0.54 -1.33 0.00 0.00 177.39 174.81 1qfo s LYS 87 N -1.85 1.12 0.43 3.23 1.02 -1.26 0.19 119.74 122.62 1qfo s LYS 87 Ca 0.58 -1.17 0.15 0.00 0.02 0.00 0.00 55.97 55.55 1qfo s LYS 87 Cb -0.60 -1.36 1.05 0.00 -0.52 0.00 0.00 37.83 36.40 1qfo s LYS 87 CO 0.60 0.31 1.92 -1.00 -0.92 0.00 0.00 175.35 176.27 1qfo h PRO 88 N 4.02 0.41 0.00 -1.68 0.13 -1.92 0.12 132.00 133.07 1qfo h PRO 88 Ca -0.46 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1qfo h PRO 88 Cb 1.18 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1qfo h PRO 88 CO 0.40 0.27 0.00 -0.85 -0.23 0.00 0.00 178.00 177.59 1qfo n GLU 89 N -4.48 0.64 0.01 0.86 0.00 -1.26 -1.71 120.64 114.70 1qfo n GLU 89 Ca 0.14 0.00 0.13 0.00 0.00 0.00 0.00 57.16 57.43 1qfo n GLU 89 Cb 0.52 -1.47 0.47 0.00 0.00 0.00 0.00 31.44 30.96 1qfo n GLU 89 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1qfo n ASP 90 N -0.97 0.23 -4.77 -1.84 8.00 0.42 -4.86 116.55 112.75 1qfo n ASP 90 Ca 0.14 0.24 -0.40 0.00 0.71 0.00 0.00 54.79 55.48 1qfo n ASP 90 Cb 0.07 -0.24 0.00 0.00 -0.02 0.00 0.00 41.12 40.93 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 -3.11 6.20 0.00 -2.24 0.01 -0.69 -4.87 113.70 109.00 1qfo s SER 91 Ca 0.13 2.96 0.00 0.00 1.31 0.00 0.00 55.95 60.34 1qfo s SER 91 Cb 0.18 -2.66 0.00 0.00 0.21 0.00 0.00 66.02 63.75 1qfo s SER 91 CO 0.60 -0.96 0.00 0.61 0.41 0.00 0.00 173.24 173.90 1qfo n GLY 92 N 0.54 -0.17 3.70 3.44 0.00 -0.35 -4.97 105.19 107.38 1qfo n GLY 92 Ca 0.03 -1.57 -0.35 0.00 0.00 0.00 0.00 46.02 44.13 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 -2.53 4.74 -0.10 2.61 2.01 -1.26 -0.15 115.64 120.96 1qfo s THR 93 Ca 0.00 -0.07 0.01 0.00 0.31 0.00 0.00 61.69 61.94 1qfo s THR 93 Cb 0.00 -3.07 -0.02 0.00 0.01 0.00 0.00 72.50 69.42 1qfo s THR 93 CO 0.00 0.55 -0.12 -0.31 -0.69 0.00 0.00 174.62 174.05 1qfo s TYR 94 N -0.38 2.82 -0.02 4.92 1.51 0.33 -1.03 117.35 125.49 1qfo s TYR 94 Ca 0.09 -0.36 0.05 0.00 -1.01 0.00 0.00 57.07 55.84 1qfo s TYR 94 Cb -0.12 -1.77 -0.01 0.00 -0.11 0.00 0.00 41.96 39.95 1qfo s TYR 94 CO 0.02 0.01 -0.18 -0.80 -1.11 0.00 0.00 175.55 173.49 1qfo s ASN 95 N -0.15 2.12 -0.01 2.29 -0.87 -0.59 -0.67 114.94 117.06 1qfo s ASN 95 Ca -0.00 -0.33 -0.07 0.00 -1.57 0.00 0.00 52.86 50.88 1qfo s ASN 95 Cb -0.13 -0.35 -0.05 0.00 -0.02 0.00 0.00 41.25 40.69 1qfo s ASN 95 CO 0.03 0.20 0.26 0.12 -2.57 0.00 0.00 177.10 175.14 1qfo s PHE 96 N -0.27 3.59 -0.01 2.20 5.36 -1.26 -0.34 117.98 127.26 1qfo s PHE 96 Ca 0.03 0.60 -0.00 0.00 -0.96 0.00 0.00 56.93 56.60 1qfo s PHE 96 Cb -0.08 -2.01 0.01 0.00 -0.34 0.00 0.00 43.02 40.60 1qfo s PHE 96 CO 0.00 0.63 0.02 0.50 -1.46 0.00 0.00 175.22 174.91 1qfo s ARG 97 N -1.61 0.00 0.06 10.12 3.52 0.29 -0.77 118.95 130.57 1qfo s ARG 97 Ca 0.26 0.06 0.05 0.00 -0.13 0.00 0.00 55.73 55.96 1qfo s ARG 97 Cb -0.13 -0.05 -0.03 0.00 -1.56 0.00 0.00 34.95 33.18 1qfo s ARG 97 CO 0.14 -0.04 -0.13 -0.59 -0.81 0.00 0.00 175.30 173.87 1qfo s PHE 98 N 0.27 1.15 -0.10 5.12 -0.71 -0.26 -0.84 117.98 122.61 1qfo s PHE 98 Ca -0.02 -0.44 0.01 0.00 -1.04 0.00 0.00 56.93 55.43 1qfo s PHE 98 Cb -0.03 -0.65 0.02 0.00 -1.21 0.00 0.00 43.02 41.14 1qfo s PHE 98 CO -0.01 0.04 -0.09 -1.21 -1.34 0.00 0.00 175.22 172.60 1qfo s GLU 99 N -1.60 1.61 -0.26 1.99 2.02 -0.15 -1.08 118.70 121.23 1qfo s GLU 99 Ca -0.02 -0.32 0.02 0.00 0.02 0.00 0.00 54.97 54.67 1qfo s GLU 99 Cb -0.10 -1.54 -0.17 0.00 0.10 0.00 0.00 34.13 32.42 1qfo s GLU 99 CO 0.02 -0.16 -0.23 -0.89 0.02 0.00 0.00 175.26 174.02 1qfo n ILE 100 N 4.54 1.49 0.00 -1.63 5.41 -1.26 -0.90 119.36 127.01 1qfo n ILE 100 Ca -0.16 -0.57 0.00 0.00 1.00 0.00 0.00 62.75 63.01 1qfo n ILE 100 Cb 0.51 -1.41 0.00 0.00 -0.71 0.00 0.00 39.64 38.02 1qfo n ILE 100 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 1qfo n SER 103 N -3.26 0.00 -4.56 4.38 2.88 -1.26 -4.77 113.62 107.04 1qfo n SER 103 Ca -0.46 0.00 -0.39 0.00 -1.33 0.00 0.00 58.87 56.70 1qfo n SER 103 Cb 0.99 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 64.42 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 6.28 0.14 -3.46 0.01 -1.26 -4.93 114.94 111.72 1qfo s ASN 104 Ca 0.00 -1.37 0.03 0.00 -0.71 0.00 0.00 52.86 50.81 1qfo s ASN 104 Cb 0.00 -2.57 -0.04 0.00 0.41 0.00 0.00 41.25 39.05 1qfo s ASN 104 CO 0.00 -1.71 -0.05 -0.13 -1.51 0.00 0.00 177.10 173.69 1qfo s ARG 105 N 5.29 1.00 -0.21 -0.60 3.00 -1.26 -4.59 118.95 121.58 1qfo s ARG 105 Ca 0.50 -1.44 -0.14 0.00 0.00 0.00 0.00 55.73 54.65 1qfo s ARG 105 Cb -0.01 -0.36 0.06 0.00 0.00 0.00 0.00 34.95 34.65 1qfo s ARG 105 CO -0.08 -0.03 0.53 -0.46 0.00 0.00 0.00 175.30 175.27 1qfo s TRP 106 N -3.54 -0.74 -0.10 -0.53 -0.11 -0.24 -5.01 118.94 108.66 1qfo s TRP 106 Ca 0.17 1.60 0.03 0.00 1.22 0.00 0.00 56.10 59.12 1qfo s TRP 106 Cb 0.05 0.36 -0.00 0.00 -1.50 0.00 0.00 33.47 32.38 1qfo s TRP 106 CO -0.00 -0.38 -0.22 -1.17 -4.62 0.00 0.00 176.95 170.55 1qfo s LEU 107 N 1.15 2.20 -0.29 5.86 2.96 -1.26 -1.11 118.68 128.20 1qfo s LEU 107 Ca -0.07 -0.52 -0.26 0.00 -0.22 0.00 0.00 54.13 53.06 1qfo s LEU 107 Cb -0.06 -1.44 0.01 0.00 0.50 0.00 0.00 46.19 45.19 1qfo s LEU 107 CO -0.11 0.17 0.92 -0.62 -1.32 0.00 0.00 176.35 175.38 1qfo s ASP 108 N 0.31 6.83 0.17 3.68 2.15 0.05 -4.90 116.67 124.97 1qfo s ASP 108 Ca -0.17 0.94 0.25 0.00 0.43 0.00 0.00 52.55 54.01 1qfo s ASP 108 Cb -0.17 -2.47 0.65 0.00 -0.30 0.00 0.00 42.92 40.63 1qfo s ASP 108 CO 0.08 -0.69 1.61 1.33 -0.17 0.00 0.00 175.17 177.33 1qfo n VAL 109 N 5.56 0.48 0.05 1.11 0.24 -1.26 -4.18 118.33 120.34 1qfo n VAL 109 Ca 0.08 -0.27 -0.03 0.00 -2.04 0.00 0.00 64.34 62.08 1qfo n VAL 109 Cb 0.47 -0.40 -0.02 0.00 -1.47 0.00 0.00 33.84 32.43 1qfo n VAL 109 CO 0.00 0.00 0.00 0.11 -2.14 0.00 0.00 176.83 174.80 1qfo h LYS 110 N 0.00 -0.20 -0.88 7.34 6.56 -1.96 -3.50 116.57 123.92 1qfo h LYS 110 Ca 0.00 0.01 0.11 0.00 -1.06 0.00 0.00 60.65 59.71 1qfo h LYS 110 Cb 0.73 0.05 -0.03 0.00 -0.57 0.00 0.00 32.23 32.41 1qfo h LYS 110 CO 0.00 -0.13 -0.15 0.41 -2.06 0.00 0.00 179.45 177.51 1qfo n GLY 111 N 1.16 -1.51 3.12 3.86 0.00 -1.26 -4.90 105.19 105.67 1qfo n GLY 111 Ca -0.03 -1.43 -0.29 0.00 0.00 0.00 0.00 46.02 44.27 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 -1.43 1.69 -0.18 2.61 2.01 0.16 -4.59 115.64 115.90 1qfo s THR 112 Ca 0.00 -0.78 -0.15 0.00 0.31 0.00 0.00 61.69 61.07 1qfo s THR 112 Cb 0.00 -1.50 -0.04 0.00 0.01 0.00 0.00 72.50 70.97 1qfo s THR 112 CO 0.00 0.48 0.37 -0.89 -0.69 0.00 0.00 174.62 173.88 1qfo s THR 113 N 0.72 5.24 -0.11 -0.82 2.01 -0.14 -0.51 115.64 122.02 1qfo s THR 113 Ca -0.12 0.67 -0.03 0.00 0.31 0.00 0.00 61.69 62.53 1qfo s THR 113 Cb -0.16 -3.70 -0.03 0.00 0.01 0.00 0.00 72.50 68.62 1qfo s THR 113 CO 0.02 0.31 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.56 1qfo s VAL 114 N 0.95 4.18 -0.14 3.82 1.01 0.79 -1.51 120.40 129.50 1qfo s VAL 114 Ca 0.19 -0.28 0.00 0.00 0.00 0.00 0.00 61.98 61.89 1qfo s VAL 114 Cb -0.14 -2.78 0.02 0.00 0.00 0.00 0.00 36.38 33.48 1qfo s VAL 114 CO 0.07 0.56 -0.13 -0.89 0.00 0.00 0.00 175.10 174.70 1qfo s THR 115 N -0.39 1.48 -0.24 3.92 2.01 -0.86 -1.21 115.64 120.36 1qfo s THR 115 Ca 0.07 -0.58 -0.08 0.00 0.31 0.00 0.00 61.69 61.41 1qfo s THR 115 Cb -0.12 -1.40 -0.04 0.00 0.01 0.00 0.00 72.50 70.95 1qfo s THR 115 CO 0.02 0.44 0.09 -0.69 -0.69 0.00 0.00 174.62 173.79 1qfo s VAL 116 N 1.50 4.60 0.36 3.82 1.01 -1.26 -1.85 120.40 128.58 1qfo s VAL 116 Ca 0.05 -0.08 0.08 0.00 0.00 0.00 0.00 61.98 62.02 1qfo s VAL 116 Cb -0.13 -3.14 -0.02 0.00 0.00 0.00 0.00 36.38 33.09 1qfo s VAL 116 CO -0.10 0.35 0.32 0.28 0.00 0.00 0.00 175.10 175.95 1qfo s THR 117 N 1.35 3.27 0.28 3.92 -1.32 -0.69 -4.68 115.64 117.76 1qfo s THR 117 Ca 0.05 -1.36 -0.10 0.00 -1.21 0.00 0.00 61.69 59.07 1qfo s THR 117 Cb -0.15 -3.13 -0.00 0.00 -1.51 0.00 0.00 72.50 67.72 1qfo s THR 117 CO 0.04 -0.12 0.49 0.28 -2.21 0.00 0.00 174.62 173.10 1qfo s THR 118 N -2.36 0.00 -2.00 5.08 -1.32 -1.26 -1.19 115.64 112.60 1qfo s THR 118 Ca 0.43 -1.44 0.19 0.00 -1.21 0.00 0.00 61.69 59.66 1qfo s THR 118 Cb -0.05 -2.35 0.55 0.00 -1.51 0.00 0.00 72.50 69.14 1qfo s THR 118 CO 0.27 0.00 1.55 0.47 -2.21 0.00 0.00 174.62 174.70