#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dao s SER 2 N 0.00 -1.06 0.14 1.61 1.04 -1.26 -5.17 113.70 109.00 2dao s SER 2 Ca 0.00 1.29 -0.25 0.00 0.48 0.00 0.00 55.95 57.47 2dao s SER 2 Cb 0.00 2.14 0.07 0.00 0.10 0.00 0.00 66.02 68.34 2dao s SER 2 CO 0.00 -0.20 1.03 -0.94 0.98 0.00 0.00 173.24 174.10 2dao s SER 3 N 2.82 -0.11 -1.73 7.02 1.04 -1.26 -4.98 113.70 116.50 2dao s SER 3 Ca -0.01 -0.44 -0.16 0.00 0.48 0.00 0.00 55.95 55.82 2dao s SER 3 Cb -0.11 0.45 0.15 0.00 0.10 0.00 0.00 66.02 66.61 2dao s SER 3 CO -0.19 -0.85 0.54 0.61 0.98 0.00 0.00 173.24 174.33 2dao n GLY 4 N -0.54 -0.35 3.82 7.32 0.00 -1.26 -4.90 105.19 109.29 2dao n GLY 4 Ca -0.06 0.12 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 2dao n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dao s SER 5 N -3.57 7.03 -0.28 1.61 0.01 -1.26 -5.07 113.70 112.17 2dao s SER 5 Ca 0.59 1.30 -0.21 0.00 1.31 0.00 0.00 55.95 58.94 2dao s SER 5 Cb -0.33 -2.37 0.08 0.00 0.21 0.00 0.00 66.02 63.60 2dao s SER 5 CO 0.98 0.14 0.73 -0.55 0.41 0.00 0.00 173.24 174.95 2dao s SER 6 N -1.46 -0.81 0.00 2.44 0.15 -1.26 -5.09 113.70 107.67 2dao s SER 6 Ca 0.37 1.42 0.00 0.00 0.70 0.00 0.00 55.95 58.44 2dao s SER 6 Cb -0.18 1.39 0.00 0.00 -1.71 0.00 0.00 66.02 65.53 2dao s SER 6 CO 0.20 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 175.02 2dao n GLY 7 N 3.41 -1.83 3.01 9.45 0.00 -1.26 -5.16 105.19 112.80 2dao n GLY 7 Ca -0.17 0.87 -0.19 0.00 0.00 0.00 0.00 46.02 46.54 2dao n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dao s ARG 9 N -0.06 1.58 0.30 0.00 0.52 -1.26 -5.11 118.95 114.92 2dao s ARG 9 Ca 0.01 -1.56 0.10 0.00 -0.52 0.00 0.00 55.73 53.76 2dao s ARG 9 Cb -0.05 -1.85 -0.05 0.00 0.52 0.00 0.00 34.95 33.52 2dao s ARG 9 CO -0.00 0.39 -0.03 -0.51 0.02 0.00 0.00 175.30 175.17 2dao s LEU 10 N -2.85 3.01 -0.07 2.53 1.43 -1.26 -4.65 118.68 116.82 2dao s LEU 10 Ca 0.23 -0.85 -0.07 0.00 -1.03 0.00 0.00 54.13 52.41 2dao s LEU 10 Cb -0.07 -1.47 -0.02 0.00 0.03 0.00 0.00 46.19 44.66 2dao s LEU 10 CO 0.11 -0.10 -0.13 -0.11 0.23 0.00 0.00 176.35 176.35 2dao n LEU 11 N -0.88 0.82 -0.23 1.79 7.94 -1.26 -3.80 117.00 121.38 2dao n LEU 11 Ca -0.05 0.21 0.17 0.00 -1.11 0.00 0.00 56.01 55.23 2dao n LEU 11 Cb 0.61 -0.62 0.31 0.00 0.53 0.00 0.00 43.42 44.25 2dao n LEU 11 CO 0.41 -0.42 0.65 -2.67 -1.11 0.00 0.00 177.39 174.24 2dao n TRP 12 N -3.32 0.64 -0.01 1.96 4.27 -1.26 0.18 117.44 119.89 2dao n TRP 12 Ca -0.05 0.82 -0.13 0.00 -3.89 0.00 0.00 57.50 54.25 2dao n TRP 12 Cb 0.20 -1.14 -0.09 0.00 -1.36 0.00 0.00 31.31 28.91 2dao n TRP 12 CO 0.00 0.00 0.00 0.22 -2.29 0.00 0.00 177.69 175.62 2dao h ASP 13 N 0.00 0.01 -1.25 -0.67 3.58 -2.00 -3.02 116.42 113.07 2dao h ASP 13 Ca 0.51 -0.44 0.36 0.00 0.42 0.00 0.00 57.03 57.88 2dao h ASP 13 Cb 1.24 -0.00 -0.05 0.00 1.72 0.00 0.00 39.33 42.23 2dao h ASP 13 CO -0.58 0.45 1.20 0.00 -2.88 0.00 0.00 179.24 177.42 2dao n TYR 14 N -4.87 0.00 0.31 0.28 9.36 0.47 -0.39 117.16 122.32 2dao n TYR 14 Ca -0.08 0.00 -0.12 0.00 3.32 0.00 0.00 57.90 61.01 2dao n TYR 14 Cb 0.23 -0.31 -0.06 0.00 -0.63 0.00 0.00 39.34 38.57 2dao n TYR 14 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 2dao h VAL 15 N 0.00 0.00 -0.99 2.97 2.07 -1.38 -3.20 116.25 115.72 2dao h VAL 15 Ca 0.59 0.00 0.09 0.00 0.82 0.00 0.00 66.70 68.21 2dao h VAL 15 Cb 2.98 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 32.63 2dao h VAL 15 CO -0.01 0.00 -0.58 0.22 0.02 0.00 0.00 177.57 177.22 2dao h TYR 16 N -0.81 -1.87 -0.76 1.57 3.20 -0.90 0.42 116.97 117.82 2dao h TYR 16 Ca -0.08 0.13 0.25 0.00 3.14 0.00 0.00 58.73 62.17 2dao h TYR 16 Cb 0.62 0.95 -0.14 0.00 1.54 0.00 0.00 36.73 39.70 2dao h TYR 16 CO 0.07 -0.37 0.16 1.04 -1.64 0.00 0.00 178.16 177.42 2dao n GLN 17 N -5.26 -0.06 0.22 1.82 1.13 -1.22 -0.31 117.38 113.71 2dao n GLN 17 Ca 0.02 1.10 -0.09 0.00 -1.94 0.00 0.00 57.00 56.09 2dao n GLN 17 Cb 0.27 -1.83 -0.05 0.00 0.11 0.00 0.00 30.24 28.74 2dao n GLN 17 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 2dao h LEU 18 N 0.00 -0.52 -0.85 1.08 3.38 -0.17 -3.30 115.31 114.93 2dao h LEU 18 Ca 0.53 0.02 0.15 0.00 0.09 0.00 0.00 57.88 58.66 2dao h LEU 18 Cb 1.22 0.14 -0.15 0.00 0.09 0.00 0.00 40.66 41.96 2dao h LEU 18 CO -0.67 -0.14 -0.27 0.18 0.09 0.00 0.00 178.44 177.63 2dao n LEU 19 N -4.96 -0.43 -0.28 1.67 7.99 0.58 -0.48 117.00 121.09 2dao n LEU 19 Ca -0.08 1.46 -0.09 0.00 -0.01 0.00 0.00 56.01 57.29 2dao n LEU 19 Cb 0.24 -0.39 -0.08 0.00 -0.11 0.00 0.00 43.42 43.09 2dao n LEU 19 CO 0.18 -1.36 0.49 -1.28 -1.51 0.00 0.00 177.39 173.91 2dao h SER 20 N 0.00 -1.67 -4.18 -1.43 0.87 -1.33 -3.40 113.55 102.41 2dao h SER 20 Ca 0.35 0.25 -0.54 0.00 -1.23 0.00 0.00 61.79 60.62 2dao h SER 20 Cb 0.56 0.73 0.16 0.00 -0.44 0.00 0.00 62.40 63.41 2dao h SER 20 CO -0.85 -0.22 0.38 -1.81 -0.53 0.00 0.00 176.83 173.80 2dao s ASP 21 N -4.89 4.06 -0.02 6.23 1.01 0.37 -4.96 116.67 118.47 2dao s ASP 21 Ca -0.10 2.37 0.19 0.00 0.71 0.00 0.00 52.55 55.71 2dao s ASP 21 Cb 0.08 -2.59 -0.28 0.00 1.01 0.00 0.00 42.92 41.14 2dao s ASP 21 CO 0.49 -2.35 0.45 -1.54 0.21 0.00 0.00 175.17 172.43 2dao n SER 22 N -2.84 0.71 0.00 0.27 3.41 -1.26 -4.25 113.62 109.66 2dao n SER 22 Ca 0.13 -0.09 0.07 0.00 -0.26 0.00 0.00 58.87 58.73 2dao n SER 22 Cb 0.50 1.78 0.34 0.00 -0.26 0.00 0.00 64.21 66.56 2dao n SER 22 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2dao n ARG 23 N -2.08 0.06 -0.00 4.33 1.74 -1.26 -1.91 116.66 117.54 2dao n ARG 23 Ca -0.03 0.22 0.09 0.00 -0.77 0.00 0.00 57.85 57.35 2dao n ARG 23 Cb 0.47 -1.50 -0.11 0.00 -1.02 0.00 0.00 32.46 30.30 2dao n ARG 23 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 2dao n TYR 24 N -1.44 0.00 -0.23 -1.55 4.02 -1.26 -4.58 117.16 112.12 2dao n TYR 24 Ca 0.05 0.00 0.07 0.00 -0.01 0.00 0.00 57.90 58.01 2dao n TYR 24 Cb 0.16 -0.14 0.15 0.00 -0.02 0.00 0.00 39.34 39.48 2dao n TYR 24 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 176.86 173.94 2dao n GLU 25 N -1.66 -0.06 -0.14 -0.72 0.00 -0.80 0.22 120.64 117.48 2dao n GLU 25 Ca 0.01 1.01 -0.03 0.00 0.00 0.00 0.00 57.16 58.15 2dao n GLU 25 Cb 0.34 -1.55 0.05 0.00 0.00 0.00 0.00 31.44 30.28 2dao n GLU 25 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.13 176.22 2dao h ASN 26 N 0.00 -0.10 -0.23 4.31 2.35 -1.81 -2.24 115.58 117.86 2dao h ASN 26 Ca 0.36 0.10 -0.16 0.00 -0.55 0.00 0.00 56.30 56.05 2dao h ASN 26 Cb 0.66 0.15 0.00 0.00 0.05 0.00 0.00 38.32 39.19 2dao h ASN 26 CO -0.65 -0.02 -0.49 -0.26 -1.65 0.00 0.00 177.43 174.37 2dao h PHE 27 N 0.17 0.94 -2.22 1.19 0.04 0.23 -3.41 116.94 113.87 2dao h PHE 27 Ca 0.23 -0.34 -0.03 0.00 2.80 0.00 0.00 57.97 60.62 2dao h PHE 27 Cb 0.32 -0.17 -0.23 0.00 2.20 0.00 0.00 35.95 38.08 2dao h PHE 27 CO -0.26 1.14 -0.06 -1.50 -0.60 0.00 0.00 178.31 177.03 2dao s ILE 28 N -4.06 -0.01 0.25 -0.55 2.07 0.57 -0.55 121.20 118.93 2dao s ILE 28 Ca -0.12 0.02 0.01 0.00 -1.41 0.00 0.00 60.65 59.16 2dao s ILE 28 Cb 0.08 -0.87 -0.05 0.00 0.13 0.00 0.00 42.46 41.75 2dao s ILE 28 CO 0.86 0.01 0.08 0.00 -1.91 0.00 0.00 174.94 173.98 2dao s ARG 29 N 1.26 1.38 -0.09 3.50 1.70 -1.19 -3.31 118.95 122.20 2dao s ARG 29 Ca -0.07 -1.74 -0.29 0.00 -0.47 0.00 0.00 55.73 53.16 2dao s ARG 29 Cb -0.06 -0.29 -0.02 0.00 -0.57 0.00 0.00 34.95 34.01 2dao s ARG 29 CO -0.13 -0.27 0.97 -1.58 -1.08 0.00 0.00 175.30 173.21 2dao s TRP 30 N -3.72 3.53 -0.15 5.89 0.52 -1.26 -3.29 118.94 120.47 2dao s TRP 30 Ca 0.36 1.56 -0.12 0.00 0.02 0.00 0.00 56.10 57.92 2dao s TRP 30 Cb 0.08 -3.14 -0.08 0.00 -1.15 0.00 0.00 33.47 29.17 2dao s TRP 30 CO 0.12 -0.17 0.05 0.93 0.02 0.00 0.00 176.95 177.91 2dao h GLU 31 N 7.05 0.00 -2.72 4.98 4.39 -0.15 -3.44 114.58 124.69 2dao h GLU 31 Ca -0.33 0.00 -0.60 0.00 0.34 0.00 0.00 59.36 58.77 2dao h GLU 31 Cb 1.16 0.00 -0.40 0.00 -0.10 0.00 0.00 28.75 29.41 2dao h GLU 31 CO 0.83 0.33 -0.79 0.34 -1.16 0.00 0.00 179.01 178.56 2dao s ASP 32 N -6.00 3.02 0.64 1.42 -1.08 -0.52 -4.95 116.67 109.20 2dao s ASP 32 Ca -0.15 -3.26 0.24 0.00 -0.52 0.00 0.00 52.55 48.86 2dao s ASP 32 Cb 0.02 -0.95 1.22 0.00 -1.46 0.00 0.00 42.92 41.75 2dao s ASP 32 CO 0.30 -0.16 1.68 0.11 0.52 0.00 0.00 175.17 177.63 2dao h LYS 33 N 5.75 0.00 -0.57 4.34 1.79 -1.86 0.32 116.57 126.34 2dao h LYS 33 Ca 0.18 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.60 2dao h LYS 33 Cb 0.86 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.48 2dao h LYS 33 CO 0.51 0.00 0.19 0.93 -1.08 0.00 0.00 179.45 180.00 2dao h GLU 34 N 0.00 0.88 -0.15 3.15 4.39 -1.95 -3.11 114.58 117.79 2dao h GLU 34 Ca 0.12 -0.18 -0.05 0.00 0.34 0.00 0.00 59.36 59.59 2dao h GLU 34 Cb 1.31 -0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 29.80 2dao h GLU 34 CO -0.00 0.79 -0.13 0.45 -1.16 0.00 0.00 179.01 178.95 2dao n SER 35 N -4.44 2.58 -4.07 1.42 2.88 0.92 -4.96 113.62 107.95 2dao n SER 35 Ca 0.03 -3.45 -0.32 0.00 -1.33 0.00 0.00 58.87 53.80 2dao n SER 35 Cb 0.20 -0.53 -0.01 0.00 -0.75 0.00 0.00 64.21 63.11 2dao n SER 35 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2dao n LYS 36 N -1.08 -3.91 -3.01 -1.46 5.02 -0.08 -3.63 118.16 110.01 2dao n LYS 36 Ca 0.23 0.45 -0.41 0.00 -2.02 0.00 0.00 58.31 56.56 2dao n LYS 36 Cb 0.82 -5.10 -0.05 0.00 -0.02 0.00 0.00 35.03 30.68 2dao n LYS 36 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2dao s ILE 37 N -3.44 4.92 0.18 -0.18 1.01 -0.62 -2.29 121.20 120.78 2dao s ILE 37 Ca 0.55 1.34 0.11 0.00 0.00 0.00 0.00 60.65 62.64 2dao s ILE 37 Cb -0.29 -4.02 -0.04 0.00 0.01 0.00 0.00 42.46 38.12 2dao s ILE 37 CO 0.89 -0.01 -0.23 0.72 0.00 0.00 0.00 174.94 176.31 2dao s PHE 38 N 2.59 2.34 -0.02 3.97 -0.71 -0.90 0.63 117.98 125.86 2dao s PHE 38 Ca 0.30 -0.35 -0.00 0.00 -1.04 0.00 0.00 56.93 55.84 2dao s PHE 38 Cb -0.15 -1.18 0.03 0.00 -1.21 0.00 0.00 43.02 40.51 2dao s PHE 38 CO 0.08 0.47 0.03 0.50 -1.34 0.00 0.00 175.22 174.96 2dao s ARG 39 N -2.55 -0.04 -0.69 1.99 3.52 -1.21 -1.92 118.95 118.05 2dao s ARG 39 Ca 0.20 0.21 -0.26 0.00 -0.13 0.00 0.00 55.73 55.74 2dao s ARG 39 Cb -0.08 -0.27 -0.01 0.00 -1.56 0.00 0.00 34.95 33.03 2dao s ARG 39 CO 0.10 -0.18 1.76 0.42 -0.81 0.00 0.00 175.30 176.58 2dao s ILE 40 N 1.15 3.45 0.31 4.11 1.01 -1.17 -3.68 121.20 126.39 2dao s ILE 40 Ca -0.08 0.13 0.08 0.00 0.00 0.00 0.00 60.65 60.78 2dao s ILE 40 Cb -0.13 -4.16 0.31 0.00 0.01 0.00 0.00 42.46 38.49 2dao s ILE 40 CO -0.03 -1.12 1.70 0.58 0.00 0.00 0.00 174.94 176.07 2dao h VAL 41 N 6.78 0.46 -1.72 2.92 2.07 -1.07 -3.38 116.25 122.32 2dao h VAL 41 Ca -0.20 -0.16 -0.11 0.00 0.82 0.00 0.00 66.70 67.05 2dao h VAL 41 Cb 1.12 -0.04 -0.28 0.00 -1.52 0.00 0.00 31.29 30.57 2dao h VAL 41 CO 1.24 0.08 -0.45 -0.62 0.02 0.00 0.00 177.57 177.84 2dao s ASP 42 N -5.13 -0.04 0.34 0.57 2.15 -0.99 -5.02 116.67 108.55 2dao s ASP 42 Ca -0.11 0.28 0.13 0.00 0.43 0.00 0.00 52.55 53.28 2dao s ASP 42 Cb 0.27 1.30 0.60 0.00 -0.30 0.00 0.00 42.92 44.79 2dao s ASP 42 CO 0.79 -0.30 1.74 1.55 -0.17 0.00 0.00 175.17 178.78 2dao h PRO 43 N 8.15 0.00 -0.31 4.34 0.13 -1.88 -1.19 132.00 141.23 2dao h PRO 43 Ca -0.19 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.83 2dao h PRO 43 Cb 1.15 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.27 2dao h PRO 43 CO 0.27 0.46 -0.28 -0.97 -0.23 0.00 0.00 178.00 177.24 2dao h ASN 44 N 0.00 0.67 0.59 1.44 -0.73 -1.96 0.29 115.58 115.88 2dao h ASN 44 Ca -0.00 -0.25 0.00 0.00 1.87 0.00 0.00 56.30 57.91 2dao h ASN 44 Cb 0.84 -0.18 0.00 0.00 0.27 0.00 0.00 38.32 39.24 2dao h ASN 44 CO 0.06 0.92 -0.80 0.61 -0.37 0.00 0.00 177.43 177.85 2dao n GLY 45 N -0.20 -1.29 0.12 1.57 0.00 -1.15 -4.15 105.19 100.10 2dao n GLY 45 Ca -0.01 -0.34 -0.24 0.00 0.00 0.00 0.00 46.02 45.43 2dao n GLY 45 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2dao n LEU 46 N -1.94 2.14 -0.35 0.99 -0.00 -0.46 -4.31 117.00 113.08 2dao n LEU 46 Ca 0.03 0.30 0.22 0.00 -0.00 0.00 0.00 56.01 56.56 2dao n LEU 46 Cb 0.42 -0.94 0.46 0.00 -0.00 0.00 0.00 43.42 43.37 2dao n LEU 46 CO 0.38 0.54 1.16 0.00 -0.00 0.00 0.00 177.39 179.47 2dao h ALA 47 N -0.52 2.00 -0.12 1.96 0.00 -0.60 0.79 119.26 122.77 2dao h ALA 47 Ca -0.51 0.14 0.03 0.00 0.00 0.00 0.00 54.91 54.57 2dao h ALA 47 Cb 1.59 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 19.44 2dao h ALA 47 CO -0.22 -0.54 -0.07 0.07 0.00 0.00 0.00 179.25 178.49 2dao h ARG 48 N 0.41 -0.06 -0.35 0.00 0.11 -1.75 0.14 114.38 112.88 2dao h ARG 48 Ca 0.69 0.00 0.09 0.00 0.10 0.00 0.00 59.98 60.87 2dao h ARG 48 Cb 1.56 0.01 -0.01 0.00 1.11 0.00 0.00 29.97 32.64 2dao h ARG 48 CO -0.49 -0.04 0.25 -0.07 0.10 0.00 0.00 179.97 179.71 2dao h LEU 49 N -0.07 0.03 0.20 0.08 3.38 -1.03 0.42 115.31 118.32 2dao h LEU 49 Ca 0.07 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.72 2dao h LEU 49 Cb 0.17 -0.00 0.03 0.00 0.09 0.00 0.00 40.66 40.95 2dao h LEU 49 CO -0.17 0.02 -1.39 -0.25 0.09 0.00 0.00 178.44 176.74 2dao h TRP 50 N 0.03 0.96 0.00 1.13 2.91 -0.91 -3.32 115.95 116.75 2dao h TRP 50 Ca 0.16 -0.67 -0.15 0.00 1.13 0.00 0.00 58.89 59.37 2dao h TRP 50 Cb 0.62 -0.05 -0.02 0.00 -0.51 0.00 0.00 29.16 29.20 2dao h TRP 50 CO -0.00 1.51 -0.71 0.78 -1.03 0.00 0.00 178.44 179.00 2dao h GLY 51 N 0.33 0.00 0.03 2.65 0.00 0.36 -3.01 103.07 103.43 2dao h GLY 51 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.10 2dao h GLY 51 CO 0.26 0.00 -0.10 -0.57 0.00 0.00 0.00 176.54 176.13 2dao h ASN 52 N 0.00 -0.30 -0.97 0.19 -1.24 -0.31 0.21 115.58 113.16 2dao h ASN 52 Ca -0.01 0.03 0.01 0.00 0.71 0.00 0.00 56.30 57.04 2dao h ASN 52 Cb 1.33 0.11 -0.05 0.00 0.73 0.00 0.00 38.32 40.44 2dao h ASN 52 CO 0.09 -0.11 0.64 1.12 -1.29 0.00 0.00 177.43 177.89 2dao h HIS 53 N -0.15 1.22 0.00 0.67 2.07 -1.70 -0.31 115.15 116.95 2dao h HIS 53 Ca -0.00 0.03 0.00 0.00 -2.85 0.00 0.00 60.37 57.55 2dao h HIS 53 Cb 0.15 -0.41 0.00 0.00 2.57 0.00 0.00 27.41 29.72 2dao h HIS 53 CO -0.30 0.76 0.00 1.17 -3.07 0.00 0.00 177.93 176.50 2dao n LYS 54 N -4.41 0.01 -3.00 5.12 3.00 -1.05 -4.82 118.16 113.01 2dao n LYS 54 Ca 0.11 0.40 -0.12 0.00 -0.00 0.00 0.00 58.31 58.70 2dao n LYS 54 Cb 0.02 -1.50 0.06 0.00 0.00 0.00 0.00 35.03 33.61 2dao n LYS 54 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 2dao n ASN 55 N -1.43 -2.12 -3.63 3.14 5.15 -0.13 -5.02 115.26 111.24 2dao n ASN 55 Ca 0.01 -0.43 -0.29 0.00 -0.60 0.00 0.00 54.58 53.27 2dao n ASN 55 Cb 0.02 -3.70 -0.13 0.00 -0.53 0.00 0.00 39.78 35.44 2dao n ASN 55 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 2dao s ARG 56 N -4.97 0.85 0.11 1.20 6.06 0.57 -4.96 118.95 117.80 2dao s ARG 56 Ca 0.01 -1.48 0.07 0.00 -2.50 0.00 0.00 55.73 51.84 2dao s ARG 56 Cb -0.01 -1.85 0.40 0.00 0.06 0.00 0.00 34.95 33.55 2dao s ARG 56 CO 0.51 -1.13 1.22 -2.37 -2.50 0.00 0.00 175.30 171.03 2dao n THR 57 N 4.12 1.66 -3.01 4.11 5.66 -1.26 -2.50 114.28 123.06 2dao n THR 57 Ca 0.06 0.58 -0.25 0.00 -3.05 0.00 0.00 64.05 61.40 2dao n THR 57 Cb 0.37 -1.58 -0.04 0.00 -1.55 0.00 0.00 70.33 67.53 2dao n THR 57 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 2dao n ASN 58 N -1.75 3.57 -4.54 1.09 4.13 -1.26 -5.05 115.26 111.45 2dao n ASN 58 Ca -0.00 -3.51 -0.41 0.00 1.68 0.00 0.00 54.58 52.33 2dao n ASN 58 Cb 0.02 -0.58 -0.09 0.00 -1.54 0.00 0.00 39.78 37.59 2dao n ASN 58 CO 0.00 0.00 0.00 -0.32 0.28 0.00 0.00 177.26 177.22 2dao s MET 59 N -3.19 3.49 -0.05 3.52 1.75 -1.04 -5.06 119.30 118.72 2dao s MET 59 Ca 0.47 -0.39 0.01 0.00 -1.25 0.00 0.00 55.69 54.53 2dao s MET 59 Cb 0.29 -3.84 -0.03 0.00 2.84 0.00 0.00 34.83 34.09 2dao s MET 59 CO -0.12 -0.64 -0.05 -0.08 -0.65 0.00 0.00 175.02 173.48 2dao s THR 60 N 2.19 3.83 0.33 10.11 -1.32 -1.26 -4.56 115.64 124.95 2dao s THR 60 Ca 0.14 -0.50 0.11 0.00 -1.21 0.00 0.00 61.69 60.23 2dao s THR 60 Cb -0.16 -2.60 0.32 0.00 -1.51 0.00 0.00 72.50 68.55 2dao s THR 60 CO 0.13 0.55 1.72 0.22 -2.21 0.00 0.00 174.62 175.02 2dao h TYR 61 N 5.04 0.99 -1.02 9.09 3.20 -1.93 0.37 116.97 132.71 2dao h TYR 61 Ca -0.49 0.04 0.25 0.00 3.14 0.00 0.00 58.73 61.67 2dao h TYR 61 Cb 1.18 -0.28 -0.09 0.00 1.54 0.00 0.00 36.73 39.08 2dao h TYR 61 CO 0.58 0.02 0.66 1.49 -1.64 0.00 0.00 178.16 179.27 2dao h GLU 62 N 0.53 0.38 -0.00 1.82 4.57 -1.98 0.92 114.58 120.82 2dao h GLU 62 Ca 0.66 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.82 2dao h GLU 62 Cb 1.32 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 29.83 2dao h GLU 62 CO -0.49 0.25 -0.54 1.63 -1.18 0.00 0.00 179.01 178.68 2dao n LYS 63 N -4.58 0.09 -0.04 1.92 5.02 0.12 -4.05 118.16 116.64 2dao n LYS 63 Ca 0.24 -0.06 -0.03 0.00 -2.02 0.00 0.00 58.31 56.45 2dao n LYS 63 Cb 0.84 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 34.35 2dao n LYS 63 CO 0.00 0.00 0.00 1.98 -0.52 0.00 0.00 177.40 178.86 2dao h MET 64 N 0.14 0.00 0.00 1.97 4.05 0.13 -3.36 114.93 117.86 2dao h MET 64 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 2dao h MET 64 Cb 0.50 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.30 2dao h MET 64 CO 0.00 0.00 0.58 0.66 0.23 0.00 0.00 176.91 178.38 2dao h SER 65 N -0.66 0.00 -0.69 1.39 4.64 -1.00 -0.98 113.55 116.25 2dao h SER 65 Ca 0.00 0.00 0.15 0.00 -0.47 0.00 0.00 61.79 61.47 2dao h SER 65 Cb 0.28 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 62.26 2dao h SER 65 CO 0.00 0.00 0.07 0.03 -0.87 0.00 0.00 176.83 176.06 2dao h ARG 66 N 0.00 0.17 0.22 4.77 2.47 -1.71 -2.56 114.38 117.74 2dao h ARG 66 Ca 0.00 -0.01 -0.01 0.00 -1.26 0.00 0.00 59.98 58.70 2dao h ARG 66 Cb 1.16 -0.04 0.00 0.00 -1.65 0.00 0.00 29.97 29.44 2dao h ARG 66 CO 0.00 0.11 -0.11 0.00 0.56 0.00 0.00 179.97 180.53 2dao h ALA 67 N 1.61 -1.06 -1.13 0.04 0.00 -1.42 -2.65 119.26 114.65 2dao h ALA 67 Ca 0.37 -0.06 0.36 0.00 0.00 0.00 0.00 54.91 55.58 2dao h ALA 67 Cb 0.63 0.15 -0.08 0.00 0.00 0.00 0.00 17.79 18.48 2dao h ALA 67 CO -0.54 -1.04 0.77 1.28 0.00 0.00 0.00 179.25 179.72 2dao n LEU 68 N -2.85 0.09 -0.00 0.00 7.99 -1.07 0.23 117.00 121.40 2dao n LEU 68 Ca -0.04 0.88 -0.13 0.00 -0.01 0.00 0.00 56.01 56.71 2dao n LEU 68 Cb 0.12 -0.43 -0.09 0.00 -0.11 0.00 0.00 43.42 42.91 2dao n LEU 68 CO 0.09 -0.93 0.72 -0.09 -1.51 0.00 0.00 177.39 175.67 2dao h ARG 69 N 0.00 0.03 -0.94 3.23 9.65 -1.10 -2.51 114.38 122.74 2dao h ARG 69 Ca 0.64 -0.01 0.19 0.00 -1.10 0.00 0.00 59.98 59.69 2dao h ARG 69 Cb 2.25 -0.00 -0.08 0.00 -1.39 0.00 0.00 29.97 30.75 2dao h ARG 69 CO -0.21 0.34 0.60 0.45 2.80 0.00 0.00 179.97 183.95 2dao h HIS 70 N -0.28 0.79 -0.30 2.20 3.86 0.30 0.68 115.15 122.40 2dao h HIS 70 Ca 0.00 0.02 -0.14 0.00 -1.16 0.00 0.00 60.37 59.10 2dao h HIS 70 Cb 0.32 -0.24 -0.01 0.00 1.06 0.00 0.00 27.41 28.54 2dao h HIS 70 CO 0.03 0.22 -0.39 1.88 0.86 0.00 0.00 177.93 180.53 2dao h TYR 71 N 0.60 0.83 -0.73 2.45 -1.99 -1.34 -3.21 116.97 113.59 2dao h TYR 71 Ca 0.51 -0.24 0.14 0.00 2.00 0.00 0.00 58.73 61.13 2dao h TYR 71 Cb 0.98 -0.18 -0.14 0.00 2.00 0.00 0.00 36.73 39.40 2dao h TYR 71 CO -0.00 0.98 -0.27 1.88 -0.00 0.00 0.00 178.16 180.75 2dao h TYR 72 N 0.58 -0.68 -0.04 4.88 0.05 -0.40 0.76 116.97 122.11 2dao h TYR 72 Ca 0.05 0.07 -0.02 0.00 0.05 0.00 0.00 58.73 58.88 2dao h TYR 72 Cb 0.92 0.41 -0.01 0.00 1.01 0.00 0.00 36.73 39.06 2dao h TYR 72 CO 0.05 -0.36 -0.09 0.87 -1.05 0.00 0.00 178.16 177.57 2dao h LYS 73 N -0.06 0.06 0.00 4.88 6.56 -1.56 -0.58 116.57 125.87 2dao h LYS 73 Ca 0.32 -0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.90 2dao h LYS 73 Cb 0.56 -0.01 0.00 0.00 -0.57 0.00 0.00 32.23 32.21 2dao h LYS 73 CO -0.77 0.16 0.00 1.28 -2.06 0.00 0.00 179.45 178.05 2dao n LEU 74 N -4.40 0.00 -3.61 2.94 4.77 0.26 -4.84 117.00 112.12 2dao n LEU 74 Ca -0.02 0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 55.72 2dao n LEU 74 Cb 0.19 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.35 2dao n LEU 74 CO 0.36 0.00 0.23 0.59 -1.33 0.00 0.00 177.39 177.24 2dao n ASN 75 N -0.76 -6.10 -0.08 -1.43 4.13 -0.22 -4.91 115.26 105.89 2dao n ASN 75 Ca 0.09 -0.56 -0.14 0.00 1.68 0.00 0.00 54.58 55.66 2dao n ASN 75 Cb 0.04 -4.98 -0.07 0.00 -1.54 0.00 0.00 39.78 33.23 2dao n ASN 75 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 2dao n ILE 76 N -4.96 0.93 -4.49 2.41 5.41 -1.14 -4.78 119.36 112.75 2dao n ILE 76 Ca -0.00 -0.32 -0.23 0.00 1.00 0.00 0.00 62.75 63.20 2dao n ILE 76 Cb 0.56 -1.29 -0.14 0.00 -0.71 0.00 0.00 39.64 38.07 2dao n ILE 76 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 2dao s ILE 77 N -2.32 1.46 -0.22 1.39 1.01 -1.26 -3.69 121.20 117.58 2dao s ILE 77 Ca -0.22 -1.17 0.00 0.00 0.00 0.00 0.00 60.65 59.26 2dao s ILE 77 Cb 0.07 -1.30 0.05 0.00 0.01 0.00 0.00 42.46 41.29 2dao s ILE 77 CO 0.35 0.09 -0.06 -0.60 0.00 0.00 0.00 174.94 174.72 2dao s ARG 78 N -1.26 1.66 -0.43 2.79 6.06 -0.06 -4.22 118.95 123.49 2dao s ARG 78 Ca 0.05 -0.87 -0.28 0.00 -2.50 0.00 0.00 55.73 52.13 2dao s ARG 78 Cb -0.09 -2.46 -0.01 0.00 0.06 0.00 0.00 34.95 32.46 2dao s ARG 78 CO 0.02 -0.54 1.68 0.21 -2.50 0.00 0.00 175.30 174.17 2dao s LYS 79 N 1.44 3.23 0.28 5.12 2.20 -1.26 -0.92 119.74 129.83 2dao s LYS 79 Ca -0.04 1.03 -0.29 0.00 -0.36 0.00 0.00 55.97 56.31 2dao s LYS 79 Cb -0.18 -4.19 -0.13 0.00 -1.51 0.00 0.00 37.83 31.82 2dao s LYS 79 CO -0.07 -1.99 1.20 0.39 -0.36 0.00 0.00 175.35 174.52 2dao n GLU 80 N 8.54 1.73 -1.26 4.03 -0.58 -0.94 -4.95 120.64 127.21 2dao n GLU 80 Ca 0.20 0.61 -0.31 0.00 -0.42 0.00 0.00 57.16 57.24 2dao n GLU 80 Cb 0.48 -2.12 0.09 0.00 -0.57 0.00 0.00 31.44 29.32 2dao n GLU 80 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 2dao s PRO 81 N -1.28 2.22 0.00 3.49 0.04 -1.26 -4.14 135.00 134.08 2dao s PRO 81 Ca 0.61 1.16 0.00 0.00 0.04 0.00 0.00 61.00 62.81 2dao s PRO 81 Cb -0.66 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 31.98 2dao s PRO 81 CO 0.58 -1.67 0.00 0.41 0.04 0.00 0.00 177.00 176.36 2dao n GLY 82 N -1.20 2.20 3.14 0.56 0.00 -1.26 -4.93 105.19 103.69 2dao n GLY 82 Ca 0.09 -0.08 -0.25 0.00 0.00 0.00 0.00 46.02 45.79 2dao n GLY 82 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2dao n GLN 83 N 0.00 -2.57 -0.05 1.61 1.13 -1.26 -5.01 117.38 111.23 2dao n GLN 83 Ca 0.00 -0.75 -0.09 0.00 -1.94 0.00 0.00 57.00 54.22 2dao n GLN 83 Cb 0.00 -1.64 -0.03 0.00 0.11 0.00 0.00 30.24 28.68 2dao n GLN 83 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 2dao n ARG 84 N -2.71 0.34 -2.74 -1.09 1.74 -1.26 -4.78 116.66 106.15 2dao n ARG 84 Ca 0.05 0.14 -0.34 0.00 -0.77 0.00 0.00 57.85 56.93 2dao n ARG 84 Cb 0.48 -1.08 -0.01 0.00 -1.02 0.00 0.00 32.46 30.83 2dao n ARG 84 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2dao n LEU 85 N -4.02 6.02 -4.22 0.55 4.32 -1.26 -4.99 117.00 113.40 2dao n LEU 85 Ca -0.15 -5.50 -0.33 0.00 -0.02 0.00 0.00 56.01 50.02 2dao n LEU 85 Cb 0.42 -0.87 -0.16 0.00 -1.62 0.00 0.00 43.42 41.19 2dao n LEU 85 CO 0.10 2.18 -0.52 -0.22 -1.22 0.00 0.00 177.39 177.72 2dao s LEU 86 N -3.92 2.27 0.13 2.23 1.98 -1.26 -3.02 118.68 117.09 2dao s LEU 86 Ca 0.44 -0.54 0.08 0.00 -2.89 0.00 0.00 54.13 51.22 2dao s LEU 86 Cb 0.25 -1.50 -0.04 0.00 0.66 0.00 0.00 46.19 45.56 2dao s LEU 86 CO -0.15 0.09 -0.19 -0.36 -1.89 0.00 0.00 176.35 173.85 2dao s PHE 87 N 0.79 1.75 -0.15 5.38 0.08 -0.81 -2.22 117.98 122.80 2dao s PHE 87 Ca -0.07 -0.45 0.00 0.00 0.12 0.00 0.00 56.93 56.53 2dao s PHE 87 Cb -0.16 -0.92 0.03 0.00 -0.57 0.00 0.00 43.02 41.41 2dao s PHE 87 CO -0.01 0.25 -0.09 0.50 -0.10 0.00 0.00 175.22 175.77 2dao s ARG 88 N -2.33 1.83 -1.35 0.44 3.52 -0.10 -2.13 118.95 118.83 2dao s ARG 88 Ca 0.10 -0.51 -0.08 0.00 -0.13 0.00 0.00 55.73 55.10 2dao s ARG 88 Cb -0.08 -1.99 0.11 0.00 -1.56 0.00 0.00 34.95 31.43 2dao s ARG 88 CO 0.05 -0.33 2.23 1.19 -0.81 0.00 0.00 175.30 177.63 2dao n PHE 89 N 4.83 2.79 0.00 5.12 3.72 -0.97 -0.88 117.46 132.07 2dao n PHE 89 Ca -0.14 -2.85 0.00 0.00 -0.05 0.00 0.00 57.45 54.41 2dao n PHE 89 Cb 0.49 -2.02 0.00 0.00 -0.94 0.00 0.00 39.48 37.01 2dao n PHE 89 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 176.76 175.38 2dao n MET 90 N 3.17 0.00 -2.85 -1.08 2.81 -1.24 -4.43 117.12 113.50 2dao n MET 90 Ca 0.54 0.78 -0.37 0.00 -1.81 0.00 0.00 57.70 56.83 2dao n MET 90 Cb 0.30 -1.29 -0.06 0.00 -0.71 0.00 0.00 33.22 31.46 2dao n MET 90 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 2dao s LYS 91 N -2.16 4.56 0.28 0.03 1.02 -1.26 -4.94 119.74 117.28 2dao s LYS 91 Ca 0.00 1.25 -0.29 0.00 0.02 0.00 0.00 55.97 56.95 2dao s LYS 91 Cb 0.00 -2.92 -0.13 0.00 -0.52 0.00 0.00 37.83 34.26 2dao s LYS 91 CO 0.00 0.36 1.25 2.41 -0.92 0.00 0.00 175.35 178.44 2dao n THR 92 N 0.80 1.58 0.32 2.17 -1.04 -1.26 -4.87 114.28 111.99 2dao n THR 92 Ca 0.00 -0.40 0.16 0.00 -2.04 0.00 0.00 64.05 61.77 2dao n THR 92 Cb 0.50 -1.34 0.64 0.00 -1.82 0.00 0.00 70.33 68.31 2dao n THR 92 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 2dao h PRO 93 N 2.99 0.00 -0.01 -2.82 0.13 -1.94 -2.37 132.00 127.98 2dao h PRO 93 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2dao h PRO 93 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 2dao h PRO 93 CO 0.67 0.00 -0.55 -0.25 -0.23 0.00 0.00 178.00 177.64 2dao n ASP 94 N -2.82 1.25 0.14 1.44 9.92 -1.26 -4.10 116.55 121.11 2dao n ASP 94 Ca 0.01 -1.00 -0.01 0.00 -0.53 0.00 0.00 54.79 53.25 2dao n ASP 94 Cb 0.27 0.47 0.16 0.00 -0.64 0.00 0.00 41.12 41.39 2dao n ASP 94 CO 0.00 0.00 0.00 -0.08 0.13 0.00 0.00 177.20 177.25 2dao h GLU 95 N 1.10 0.00 0.13 -1.24 4.57 -1.79 -3.26 114.58 114.09 2dao h GLU 95 Ca 0.00 0.00 -0.19 0.00 -1.18 0.00 0.00 59.36 57.99 2dao h GLU 95 Cb 0.58 0.00 0.02 0.00 -0.16 0.00 0.00 28.75 29.19 2dao h GLU 95 CO 0.00 0.63 -0.87 0.82 -1.18 0.00 0.00 179.01 178.40 2dao h ILE 96 N 0.00 1.44 -0.71 2.32 2.04 -1.71 -3.34 117.51 117.55 2dao h ILE 96 Ca -0.01 -2.50 0.16 0.00 1.00 0.00 0.00 64.86 63.51 2dao h ILE 96 Cb 1.11 3.12 -0.13 0.00 -0.74 0.00 0.00 36.82 40.18 2dao h ILE 96 CO 0.08 0.70 -0.12 0.23 0.00 0.00 0.00 178.15 179.05 2dao n MET 97 N -4.12 -0.06 -1.54 2.37 2.81 -1.23 -4.43 117.12 110.92 2dao n MET 97 Ca -0.16 1.09 -0.48 0.00 -1.81 0.00 0.00 57.70 56.35 2dao n MET 97 Cb 0.82 -1.67 -0.03 0.00 -0.71 0.00 0.00 33.22 31.63 2dao n MET 97 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 2dao n SER 98 N -5.10 0.75 -3.89 7.83 2.88 -1.25 -4.64 113.62 110.20 2dao n SER 98 Ca 0.13 1.15 -0.55 0.00 -1.33 0.00 0.00 58.87 58.27 2dao n SER 98 Cb 0.42 -1.17 -0.09 0.00 -0.75 0.00 0.00 64.21 62.62 2dao n SER 98 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dao n GLY 99 N 1.75 0.06 3.44 0.46 0.00 -1.26 -4.91 105.19 104.73 2dao n GLY 99 Ca 0.14 0.89 -0.22 0.00 0.00 0.00 0.00 46.02 46.83 2dao n GLY 99 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2dao s ARG 100 N 3.42 1.75 0.06 1.61 3.52 -1.26 -5.08 118.95 122.97 2dao s ARG 100 Ca 0.94 -2.03 -0.35 0.00 -0.13 0.00 0.00 55.73 54.15 2dao s ARG 100 Cb -1.27 -0.50 -0.20 0.00 -1.56 0.00 0.00 34.95 31.41 2dao s ARG 100 CO 0.65 -0.40 1.57 1.15 -0.81 0.00 0.00 175.30 177.46 2dao h THR 101 N 2.00 0.13 -3.36 4.11 2.02 -1.97 -3.41 112.91 112.43 2dao h THR 101 Ca -0.36 -0.02 -0.58 0.00 0.77 0.00 0.00 66.41 66.22 2dao h THR 101 Cb 1.26 0.14 -0.09 0.00 -1.74 0.00 0.00 68.15 67.72 2dao h THR 101 CO 0.58 0.00 -0.14 -1.81 0.37 0.00 0.00 175.52 174.52 2dao s ASP 102 N -4.17 6.62 -0.38 4.18 1.01 -1.26 -5.04 116.67 117.62 2dao s ASP 102 Ca -0.19 0.74 -0.23 0.00 0.71 0.00 0.00 52.55 53.58 2dao s ASP 102 Cb 0.02 -2.27 0.01 0.00 1.01 0.00 0.00 42.92 41.69 2dao s ASP 102 CO 0.60 -0.03 0.76 -0.60 0.21 0.00 0.00 175.17 176.11 2dao s ARG 103 N 0.85 3.66 0.44 8.23 3.52 -1.26 -4.92 118.95 129.46 2dao s ARG 103 Ca 0.24 0.17 0.11 0.00 -0.13 0.00 0.00 55.73 56.13 2dao s ARG 103 Cb -0.15 -3.84 1.00 0.00 -1.56 0.00 0.00 34.95 30.40 2dao s ARG 103 CO 0.09 -0.90 2.05 1.25 -0.81 0.00 0.00 175.30 176.98 2dao h LEU 104 N 9.79 0.34 -1.70 -0.88 7.12 -1.96 -1.80 115.31 126.22 2dao h LEU 104 Ca -0.25 -0.00 0.31 0.00 0.13 0.00 0.00 57.88 58.07 2dao h LEU 104 Cb 1.09 -0.08 -0.04 0.00 -0.53 0.00 0.00 40.66 41.10 2dao h LEU 104 CO 0.91 0.24 0.97 -0.33 -0.13 0.00 0.00 178.44 180.10 2dao h GLU 105 N 0.40 0.00 -0.97 1.25 5.08 -2.00 0.53 114.58 118.87 2dao h GLU 105 Ca 0.16 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.61 2dao h GLU 105 Cb 0.16 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.34 2dao h GLU 105 CO -0.04 0.00 0.62 1.25 -1.00 0.00 0.00 179.01 179.84 2dao h HIS 106 N 0.00 1.11 -0.19 4.33 2.76 -1.74 -0.65 115.15 120.77 2dao h HIS 106 Ca 0.52 0.03 -0.11 0.00 -2.20 0.00 0.00 60.37 58.61 2dao h HIS 106 Cb 2.45 -0.36 -0.06 0.00 1.55 0.00 0.00 27.41 30.99 2dao h HIS 106 CO 0.00 0.53 0.13 1.28 -1.30 0.00 0.00 177.93 178.58 2dao n LEU 107 N -4.53 4.23 -0.01 0.26 7.99 0.19 -4.14 117.00 120.99 2dao n LEU 107 Ca 0.16 -2.11 -0.17 0.00 -0.01 0.00 0.00 56.01 53.88 2dao n LEU 107 Cb 0.25 -0.70 -0.13 0.00 -0.11 0.00 0.00 43.42 42.74 2dao n LEU 107 CO 0.31 0.73 0.26 1.05 -1.51 0.00 0.00 177.39 178.23 2dao h GLU 108 N 0.44 0.22 -1.00 3.23 -0.00 -1.25 -3.40 114.58 112.82 2dao h GLU 108 Ca 0.12 -0.29 -0.40 0.00 -0.00 0.00 0.00 59.36 58.79 2dao h GLU 108 Cb 1.26 0.10 -0.41 0.00 -0.00 0.00 0.00 28.75 29.70 2dao h GLU 108 CO 0.23 1.07 -1.07 0.43 -0.00 0.00 0.00 179.01 179.67 2dao n SER 109 N -4.36 2.30 -0.05 3.06 7.64 -1.26 -4.79 113.62 116.16 2dao n SER 109 Ca -0.11 -2.86 -0.05 0.00 1.01 0.00 0.00 58.87 56.86 2dao n SER 109 Cb 0.63 -0.50 -0.02 0.00 -1.01 0.00 0.00 64.21 63.31 2dao n SER 109 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 2dao n GLN 110 N -0.26 0.31 -0.11 1.43 7.27 -1.26 -4.11 117.38 120.65 2dao n GLN 110 Ca 0.17 0.24 -0.11 0.00 0.07 0.00 0.00 57.00 57.36 2dao n GLN 110 Cb 0.79 -1.18 -0.03 0.00 2.41 0.00 0.00 30.24 32.24 2dao n GLN 110 CO 0.00 0.00 0.00 1.05 0.07 0.00 0.00 177.06 178.18 2dao h GLU 111 N -0.63 0.57 -0.38 3.69 -0.00 -1.91 -3.18 114.58 112.75 2dao h GLU 111 Ca 0.00 -0.20 0.08 0.00 -0.00 0.00 0.00 59.36 59.24 2dao h GLU 111 Cb 0.51 -0.04 -0.08 0.00 -0.00 0.00 0.00 28.75 29.14 2dao h GLU 111 CO 0.00 0.73 -0.20 -0.07 -0.00 0.00 0.00 179.01 179.47 2dao h LEU 112 N 0.36 -0.68 -7.00 3.06 3.38 -1.84 -3.46 115.31 109.13 2dao h LEU 112 Ca 0.09 0.15 0.19 0.00 0.09 0.00 0.00 57.88 58.40 2dao h LEU 112 Cb 0.49 0.36 -0.19 0.00 0.09 0.00 0.00 40.66 41.41 2dao h LEU 112 CO 0.02 -0.23 0.70 -0.94 0.09 0.00 0.00 178.44 178.08 2dao s SER 113 N -5.13 -0.22 0.00 -0.43 1.04 -1.20 -5.13 113.70 102.63 2dao s SER 113 Ca -0.14 0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.33 2dao s SER 113 Cb 0.14 0.22 0.00 0.00 0.10 0.00 0.00 66.02 66.49 2dao s SER 113 CO 0.70 -0.35 0.00 0.61 0.98 0.00 0.00 173.24 175.18 2dao n GLY 114 N -0.02 1.62 3.60 7.32 0.00 -1.26 -4.01 105.19 112.45 2dao n GLY 114 Ca -0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.56 2dao n GLY 114 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dao s PRO 115 N 0.00 3.43 -0.14 1.61 0.04 -1.26 -4.92 135.00 133.76 2dao s PRO 115 Ca 0.00 1.33 -0.13 0.00 0.04 0.00 0.00 61.00 62.25 2dao s PRO 115 Cb 0.00 -4.14 -0.05 0.00 0.04 0.00 0.00 34.50 30.35 2dao s PRO 115 CO 0.00 -1.74 0.27 0.45 0.04 0.00 0.00 177.00 176.02 2dao s SER 116 N 5.42 6.45 0.03 6.66 0.15 -1.26 -5.09 113.70 126.06 2dao s SER 116 Ca 0.75 0.52 -0.01 0.00 0.70 0.00 0.00 55.95 57.91 2dao s SER 116 Cb -0.21 -2.16 -0.03 0.00 -1.71 0.00 0.00 66.02 61.91 2dao s SER 116 CO 0.33 0.18 -0.01 -0.44 1.20 0.00 0.00 173.24 174.50 2dao s SER 117 N 0.06 0.32 0.00 5.45 0.01 -1.26 -5.26 113.70 113.02 2dao s SER 117 Ca 0.16 -0.69 0.00 0.00 1.31 0.00 0.00 55.95 56.73 2dao s SER 117 Cb -0.13 0.15 0.00 0.00 0.21 0.00 0.00 66.02 66.25 2dao s SER 117 CO 0.04 -0.44 0.00 0.61 0.41 0.00 0.00 173.24 173.87