#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 3.30 0.21 1.61 0.01 -1.26 -5.12 113.70 112.45 2dao s SER 2 Ca 0.00 -0.85 0.02 0.00 1.31 0.00 0.00 55.95 56.43 2dao s SER 2 Cb 0.00 -1.17 -0.05 0.00 0.21 0.00 0.00 66.02 65.01 2dao s SER 2 CO 0.00 -0.16 0.02 -0.55 0.41 0.00 0.00 173.24 172.96 2dao s SER 3 N 1.44 1.42 0.00 2.44 0.15 -1.26 -5.07 113.70 112.83 2dao s SER 3 Ca -0.01 -1.23 0.00 0.00 0.70 0.00 0.00 55.95 55.41 2dao s SER 3 Cb -0.16 0.09 0.00 0.00 -1.71 0.00 0.00 66.02 64.24 2dao s SER 3 CO -0.08 -0.58 0.00 0.61 1.20 0.00 0.00 173.24 174.38 2dao n GLY 4 N -0.35 0.08 0.42 9.45 0.00 -1.26 -4.93 105.19 108.60 2dao n GLY 4 Ca -0.05 -0.79 0.01 0.00 0.00 0.00 0.00 46.02 45.19 2dao n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2dao n SER 5 N 0.00 0.98 -3.79 1.61 3.41 -1.26 -4.76 113.62 109.81 2dao n SER 5 Ca 0.00 -2.05 -0.13 0.00 -0.26 0.00 0.00 58.87 56.43 2dao n SER 5 Cb 0.00 -0.32 -0.11 0.00 -0.26 0.00 0.00 64.21 63.52 2dao n SER 5 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2dao s SER 6 N -0.46 -0.22 0.00 4.04 1.04 -1.26 -5.12 113.70 111.71 2dao s SER 6 Ca 0.05 0.37 0.00 0.00 0.48 0.00 0.00 55.95 56.85 2dao s SER 6 Cb 0.03 0.46 0.00 0.00 0.10 0.00 0.00 66.02 66.61 2dao s SER 6 CO 0.02 -0.17 0.00 0.61 0.98 0.00 0.00 173.24 174.68 2dao n GLY 7 N 2.54 0.37 2.98 7.32 0.00 -1.26 -5.12 105.19 112.01 2dao n GLY 7 Ca -0.15 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.74 2dao n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dao n ARG 9 N 3.86 3.31 -4.08 0.00 5.12 -1.26 -5.01 116.66 118.59 2dao n ARG 9 Ca -0.22 -4.06 -0.11 0.00 -1.93 0.00 0.00 57.85 51.53 2dao n ARG 9 Cb 0.54 -2.27 -0.07 0.00 -1.16 0.00 0.00 32.46 29.50 2dao n ARG 9 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2dao s LEU 10 N -3.68 0.69 -0.15 0.55 1.43 -1.26 -4.39 118.68 111.87 2dao s LEU 10 Ca 0.52 -1.15 -0.14 0.00 -1.03 0.00 0.00 54.13 52.34 2dao s LEU 10 Cb 0.43 1.23 -0.05 0.00 0.03 0.00 0.00 46.19 47.83 2dao s LEU 10 CO -0.09 -1.04 -0.27 -0.11 0.23 0.00 0.00 176.35 175.06 2dao n LEU 11 N -0.36 1.64 -0.33 1.79 7.94 -1.26 -3.68 117.00 122.73 2dao n LEU 11 Ca 0.00 0.34 0.30 0.00 -1.11 0.00 0.00 56.01 55.55 2dao n LEU 11 Cb 0.63 -0.73 0.53 0.00 0.53 0.00 0.00 43.42 44.39 2dao n LEU 11 CO 0.27 -0.34 0.96 -2.67 -1.11 0.00 0.00 177.39 174.50 2dao n TRP 12 N -4.20 0.80 0.06 1.96 4.27 -1.26 0.23 117.44 119.30 2dao n TRP 12 Ca -0.11 0.80 -0.21 0.00 -3.89 0.00 0.00 57.50 54.10 2dao n TRP 12 Cb 0.40 -1.22 -0.12 0.00 -1.36 0.00 0.00 31.31 29.01 2dao n TRP 12 CO 0.00 0.00 0.00 -0.44 -2.29 0.00 0.00 177.69 174.96 2dao h ASP 13 N 0.00 0.83 -0.95 -0.67 3.32 -2.01 -3.22 116.42 113.71 2dao h ASP 13 Ca 0.73 -0.79 0.28 0.00 0.02 0.00 0.00 57.03 57.27 2dao h ASP 13 Cb 2.14 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 41.39 2dao h ASP 13 CO -0.53 1.52 0.94 0.22 -1.72 0.00 0.00 179.24 179.68 2dao h TYR 14 N 0.23 0.00 0.41 4.55 3.20 0.28 -1.30 116.97 124.34 2dao h TYR 14 Ca -0.15 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.70 2dao h TYR 14 Cb 1.74 0.00 0.00 0.00 1.54 0.00 0.00 36.73 40.01 2dao h TYR 14 CO 0.12 0.00 -0.22 0.28 -1.64 0.00 0.00 178.16 176.71 2dao h VAL 15 N 0.00 0.00 -0.82 1.81 2.07 -1.52 -3.18 116.25 114.61 2dao h VAL 15 Ca 0.45 0.00 0.09 0.00 0.82 0.00 0.00 66.70 68.06 2dao h VAL 15 Cb 2.34 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 31.99 2dao h VAL 15 CO -0.00 0.00 -0.54 0.22 0.02 0.00 0.00 177.57 177.26 2dao h TYR 16 N -0.57 -1.70 -1.20 1.57 3.20 -1.44 0.58 116.97 117.41 2dao h TYR 16 Ca -0.06 0.11 0.40 0.00 3.14 0.00 0.00 58.73 62.33 2dao h TYR 16 Cb 0.45 0.85 -0.11 0.00 1.54 0.00 0.00 36.73 39.46 2dao h TYR 16 CO 0.08 -0.41 0.79 1.04 -1.64 0.00 0.00 178.16 178.02 2dao n GLN 17 N -5.32 -0.02 -0.04 1.82 6.02 -1.21 -0.57 117.38 118.06 2dao n GLN 17 Ca 0.02 1.00 -0.00 0.00 -0.01 0.00 0.00 57.00 58.01 2dao n GLN 17 Cb 0.30 -2.02 -0.00 0.00 1.02 0.00 0.00 30.24 29.55 2dao n GLN 17 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 2dao h LEU 18 N 0.00 0.00 -0.96 1.08 3.38 0.16 -3.34 115.31 115.64 2dao h LEU 18 Ca 0.73 0.00 0.21 0.00 0.09 0.00 0.00 57.88 58.90 2dao h LEU 18 Cb 2.43 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 43.00 2dao h LEU 18 CO -0.32 0.36 -0.18 0.18 0.09 0.00 0.00 178.44 178.56 2dao n LEU 19 N -3.96 -0.29 -0.31 1.67 7.99 0.26 0.13 117.00 122.49 2dao n LEU 19 Ca -0.00 1.65 0.15 0.00 -0.01 0.00 0.00 56.01 57.80 2dao n LEU 19 Cb 0.00 -0.52 0.34 0.00 -0.11 0.00 0.00 43.42 43.13 2dao n LEU 19 CO 0.00 -1.60 1.06 -1.28 -1.51 0.00 0.00 177.39 174.06 2dao h SER 20 N 0.00 0.37 -3.61 -1.43 0.87 -1.25 -3.36 113.55 105.14 2dao h SER 20 Ca 0.49 0.16 -0.62 0.00 -1.23 0.00 0.00 61.79 60.59 2dao h SER 20 Cb 0.81 0.13 -0.13 0.00 -0.44 0.00 0.00 62.40 62.78 2dao h SER 20 CO -0.97 -0.02 -0.11 -1.81 -0.53 0.00 0.00 176.83 173.39 2dao s ASP 21 N -5.14 6.38 0.36 6.23 1.11 0.35 -4.95 116.67 121.02 2dao s ASP 21 Ca -0.11 0.46 0.11 0.00 0.18 0.00 0.00 52.55 53.19 2dao s ASP 21 Cb 0.26 -2.25 0.69 0.00 1.07 0.00 0.00 42.92 42.69 2dao s ASP 21 CO 0.78 -0.22 1.82 0.28 1.18 0.00 0.00 175.17 179.01 2dao h SER 22 N 7.95 0.07 0.00 0.27 0.02 -1.77 -2.58 113.55 117.51 2dao h SER 22 Ca -0.31 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.62 2dao h SER 22 Cb 1.15 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.67 2dao h SER 22 CO 0.69 0.42 0.32 0.03 -1.14 0.00 0.00 176.83 177.15 2dao h ARG 23 N 0.06 0.00 -0.58 3.45 3.08 -1.92 0.47 114.38 118.94 2dao h ARG 23 Ca 0.01 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 59.72 2dao h ARG 23 Cb 0.64 0.00 -0.20 0.00 0.08 0.00 0.00 29.97 30.49 2dao h ARG 23 CO 0.05 0.00 0.05 0.66 -1.07 0.00 0.00 179.97 179.66 2dao n TYR 24 N -2.47 1.86 -0.05 3.04 4.02 -0.97 -4.65 117.16 117.94 2dao n TYR 24 Ca -0.01 -1.90 -0.14 0.00 -0.01 0.00 0.00 57.90 55.84 2dao n TYR 24 Cb 0.35 -0.66 -0.12 0.00 -0.02 0.00 0.00 39.34 38.89 2dao n TYR 24 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 176.86 176.78 2dao h GLU 25 N 1.26 -0.00 -1.33 -0.72 5.08 -0.14 -2.03 114.58 116.70 2dao h GLU 25 Ca 0.35 0.00 0.40 0.00 -1.00 0.00 0.00 59.36 59.12 2dao h GLU 25 Cb 1.74 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.89 2dao h GLU 25 CO 0.69 0.82 0.89 -0.91 -1.00 0.00 0.00 179.01 179.50 2dao h ASN 26 N -0.82 0.21 0.07 1.42 4.21 -1.83 0.77 115.58 119.62 2dao h ASN 26 Ca -0.00 0.08 -0.22 0.00 1.21 0.00 0.00 56.30 57.37 2dao h ASN 26 Cb 0.82 0.06 -0.01 0.00 -1.12 0.00 0.00 38.32 38.07 2dao h ASN 26 CO 0.00 -0.07 -1.15 -0.26 -1.29 0.00 0.00 177.43 174.66 2dao h PHE 27 N 0.13 0.25 -2.63 1.19 0.04 -1.91 -3.40 116.94 110.61 2dao h PHE 27 Ca 0.75 -0.18 -0.12 0.00 2.80 0.00 0.00 57.97 61.21 2dao h PHE 27 Cb 2.46 -0.01 -0.27 0.00 2.20 0.00 0.00 35.95 40.33 2dao h PHE 27 CO -0.00 1.45 -0.34 -1.50 -0.60 0.00 0.00 178.31 177.32 2dao s ILE 28 N -2.41 -0.24 0.39 -0.55 2.07 0.26 0.52 121.20 121.25 2dao s ILE 28 Ca -0.22 0.13 0.04 0.00 -1.41 0.00 0.00 60.65 59.19 2dao s ILE 28 Cb 0.04 -0.61 -0.05 0.00 0.13 0.00 0.00 42.46 41.96 2dao s ILE 28 CO 0.71 0.05 0.06 0.00 -1.91 0.00 0.00 174.94 173.85 2dao s ARG 29 N 1.82 1.85 -0.34 3.50 1.70 -1.21 -3.80 118.95 122.47 2dao s ARG 29 Ca -0.07 -2.08 -0.23 0.00 -0.47 0.00 0.00 55.73 52.88 2dao s ARG 29 Cb -0.10 -1.03 0.01 0.00 -0.57 0.00 0.00 34.95 33.25 2dao s ARG 29 CO -0.12 -0.26 0.78 -1.58 -1.08 0.00 0.00 175.30 173.04 2dao s TRP 30 N -3.12 3.14 -0.06 5.89 0.23 -1.26 -3.15 118.94 120.61 2dao s TRP 30 Ca 0.29 0.64 -0.18 0.00 -2.03 0.00 0.00 56.10 54.81 2dao s TRP 30 Cb 0.06 -3.33 -0.14 0.00 0.03 0.00 0.00 33.47 30.10 2dao s TRP 30 CO 0.14 -0.67 0.73 0.93 0.96 0.00 0.00 176.95 179.04 2dao h GLU 31 N 8.35 -0.21 -2.64 4.98 4.39 0.18 -3.42 114.58 126.21 2dao h GLU 31 Ca -0.25 0.01 -0.60 0.00 0.34 0.00 0.00 59.36 58.87 2dao h GLU 31 Cb 1.10 0.05 -0.39 0.00 -0.10 0.00 0.00 28.75 29.40 2dao h GLU 31 CO 0.90 0.18 -0.84 0.34 -1.16 0.00 0.00 179.01 178.42 2dao s ASP 32 N -5.46 2.69 0.52 1.42 -1.08 0.25 -4.95 116.67 110.06 2dao s ASP 32 Ca -0.11 -2.92 0.35 0.00 -0.52 0.00 0.00 52.55 49.35 2dao s ASP 32 Cb 0.00 -0.73 1.50 0.00 -1.46 0.00 0.00 42.92 42.24 2dao s ASP 32 CO 0.40 -0.20 1.80 0.11 0.52 0.00 0.00 175.17 177.80 2dao h LYS 33 N 6.10 0.05 -0.73 4.34 1.79 -1.82 0.39 116.57 126.68 2dao h LYS 33 Ca 0.15 -0.00 0.01 0.00 -2.18 0.00 0.00 60.65 58.63 2dao h LYS 33 Cb 0.90 -0.01 -0.04 0.00 -1.58 0.00 0.00 32.23 31.51 2dao h LYS 33 CO 0.42 0.03 0.48 0.93 -1.08 0.00 0.00 179.45 180.23 2dao h GLU 34 N 0.05 0.96 -0.31 3.15 5.08 -1.95 -2.82 114.58 118.74 2dao h GLU 34 Ca 0.57 -0.06 -0.16 0.00 -1.00 0.00 0.00 59.36 58.72 2dao h GLU 34 Cb 2.19 -0.22 -0.09 0.00 0.50 0.00 0.00 28.75 31.13 2dao h GLU 34 CO -0.05 0.64 -0.12 0.43 -1.00 0.00 0.00 179.01 178.92 2dao n SER 35 N -4.57 2.44 -4.33 1.42 7.64 0.11 -4.96 113.62 111.38 2dao n SER 35 Ca 0.07 -3.76 -0.32 0.00 1.01 0.00 0.00 58.87 55.86 2dao n SER 35 Cb 0.02 -0.62 -0.09 0.00 -1.01 0.00 0.00 64.21 62.51 2dao n SER 35 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2dao n LYS 36 N -1.10 -1.11 -3.51 1.43 5.02 0.23 -4.17 118.16 114.94 2dao n LYS 36 Ca 0.31 0.12 -0.38 0.00 -2.02 0.00 0.00 58.31 56.35 2dao n LYS 36 Cb 1.00 -3.84 -0.09 0.00 -0.02 0.00 0.00 35.03 32.08 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 -4.18 5.26 0.20 -0.18 1.01 -0.49 -0.76 121.20 122.07 2dao s ILE 37 Ca 0.13 0.40 0.09 0.00 0.00 0.00 0.00 60.65 61.27 2dao s ILE 37 Cb -0.08 -3.61 -0.05 0.00 0.01 0.00 0.00 42.46 38.74 2dao s ILE 37 CO 1.00 0.26 -0.17 0.72 0.00 0.00 0.00 174.94 176.74 2dao s PHE 38 N 1.52 1.85 -0.06 3.97 -0.71 -0.54 0.19 117.98 124.20 2dao s PHE 38 Ca 0.12 -0.49 -0.02 0.00 -1.04 0.00 0.00 56.93 55.50 2dao s PHE 38 Cb -0.15 -0.88 0.04 0.00 -1.21 0.00 0.00 43.02 40.83 2dao s PHE 38 CO 0.08 0.40 0.12 0.50 -1.34 0.00 0.00 175.22 174.98 2dao s ARG 39 N -3.26 0.03 -0.71 1.99 3.52 -1.19 -2.19 118.95 117.15 2dao s ARG 39 Ca 0.21 0.41 -0.26 0.00 -0.13 0.00 0.00 55.73 55.96 2dao s ARG 39 Cb -0.04 -0.27 -0.06 0.00 -1.56 0.00 0.00 34.95 33.02 2dao s ARG 39 CO 0.08 -0.24 2.12 0.42 -0.81 0.00 0.00 175.30 176.87 2dao s ILE 40 N 1.69 3.23 0.32 4.11 1.01 -1.19 -3.72 121.20 126.65 2dao s ILE 40 Ca -0.03 -0.05 0.07 0.00 0.00 0.00 0.00 60.65 60.64 2dao s ILE 40 Cb -0.12 -3.57 0.35 0.00 0.01 0.00 0.00 42.46 39.14 2dao s ILE 40 CO -0.05 -0.54 1.61 0.58 0.00 0.00 0.00 174.94 176.54 2dao h VAL 41 N 7.33 0.15 -2.51 2.92 2.07 -0.18 -3.37 116.25 122.67 2dao h VAL 41 Ca -0.10 -0.04 -0.19 0.00 0.82 0.00 0.00 66.70 67.19 2dao h VAL 41 Cb 1.11 0.03 -0.31 0.00 -1.52 0.00 0.00 31.29 30.59 2dao h VAL 41 CO 1.16 0.02 -0.50 -0.62 0.02 0.00 0.00 177.57 177.65 2dao s ASP 42 N -4.93 0.38 0.21 0.57 2.15 -1.04 -5.03 116.67 108.99 2dao s ASP 42 Ca -0.12 0.45 -0.03 0.00 0.43 0.00 0.00 52.55 53.29 2dao s ASP 42 Cb 0.29 0.87 0.18 0.00 -0.30 0.00 0.00 42.92 43.96 2dao s ASP 42 CO 0.78 -0.27 1.57 1.55 -0.17 0.00 0.00 175.17 178.63 2dao h PRO 43 N 8.24 0.60 -0.59 4.34 0.13 -1.89 -1.03 132.00 141.81 2dao h PRO 43 Ca -0.16 -0.32 -0.02 0.00 -0.87 0.00 0.00 66.00 64.63 2dao h PRO 43 Cb 1.13 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.24 2dao h PRO 43 CO 0.19 0.91 0.27 -0.97 -0.23 0.00 0.00 178.00 178.17 2dao h ASN 44 N 0.49 0.75 0.42 1.44 -1.24 -1.96 0.10 115.58 115.57 2dao h ASN 44 Ca 0.04 -0.08 -0.31 0.00 0.71 0.00 0.00 56.30 56.66 2dao h ASN 44 Cb 0.94 -0.19 -0.00 0.00 0.73 0.00 0.00 38.32 39.79 2dao h ASN 44 CO 0.08 0.65 -1.56 1.23 -1.29 0.00 0.00 177.43 176.54 2dao h GLY 45 N 0.93 0.31 0.65 1.57 0.00 -1.96 -3.27 103.07 101.29 2dao h GLY 45 Ca 0.20 -0.79 -0.02 0.00 0.00 0.00 0.00 47.33 46.72 2dao h GLY 45 CO -0.02 0.69 -0.22 -2.00 0.00 0.00 0.00 176.54 174.99 2dao h LEU 46 N 0.07 -0.52 -0.67 3.11 7.12 -1.01 -3.20 115.31 120.21 2dao h LEU 46 Ca -0.26 -0.09 0.13 0.00 0.13 0.00 0.00 57.88 57.80 2dao h LEU 46 Cb 2.03 0.13 -0.13 0.00 -0.53 0.00 0.00 40.66 42.17 2dao h LEU 46 CO 0.16 -0.14 -0.15 0.00 -0.13 0.00 0.00 178.44 178.18 2dao h ALA 47 N -0.69 0.46 -0.73 1.25 0.00 -1.16 -0.59 119.26 117.81 2dao h ALA 47 Ca -0.06 0.26 0.13 0.00 0.00 0.00 0.00 54.91 55.24 2dao h ALA 47 Cb 0.58 0.50 -0.13 0.00 0.00 0.00 0.00 17.79 18.73 2dao h ALA 47 CO 0.10 -0.42 -0.28 0.00 0.00 0.00 0.00 179.25 178.65 2dao h ARG 48 N 0.01 -0.07 -0.62 0.00 3.08 -1.61 0.61 114.38 115.78 2dao h ARG 48 Ca 0.32 0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.40 2dao h ARG 48 Cb 0.50 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.53 2dao h ARG 48 CO -0.68 -0.04 0.41 -0.07 -1.07 0.00 0.00 179.97 178.52 2dao h LEU 49 N -0.07 0.65 0.05 3.04 3.38 -1.11 0.30 115.31 121.56 2dao h LEU 49 Ca 0.31 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.27 2dao h LEU 49 Cb 0.56 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.16 2dao h LEU 49 CO -0.77 0.46 -0.03 -0.25 0.09 0.00 0.00 178.44 177.94 2dao h TRP 50 N 0.76 -0.07 0.00 1.13 2.91 0.50 -3.06 115.95 118.13 2dao h TRP 50 Ca 0.24 -0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.26 2dao h TRP 50 Cb 0.03 0.02 0.00 0.00 -0.51 0.00 0.00 29.16 28.71 2dao h TRP 50 CO -0.00 0.36 0.00 0.41 -1.03 0.00 0.00 178.44 178.18 2dao n GLY 51 N 0.08 -1.35 0.27 2.65 0.00 0.76 -2.42 105.19 105.19 2dao n GLY 51 Ca -0.08 0.02 -0.10 0.00 0.00 0.00 0.00 46.02 45.86 2dao n GLY 51 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 2dao h ASN 52 N 0.00 -0.56 -0.44 1.61 -1.24 -0.30 0.32 115.58 114.98 2dao h ASN 52 Ca 0.00 0.02 -0.14 0.00 0.71 0.00 0.00 56.30 56.89 2dao h ASN 52 Cb 0.45 0.14 -0.01 0.00 0.73 0.00 0.00 38.32 39.63 2dao h ASN 52 CO 0.00 -0.27 -0.26 1.12 -1.29 0.00 0.00 177.43 176.73 2dao h HIS 53 N -0.92 1.10 0.00 0.67 2.07 -1.63 -2.61 115.15 113.84 2dao h HIS 53 Ca -0.07 -0.29 0.00 0.00 -2.85 0.00 0.00 60.37 57.16 2dao h HIS 53 Cb 0.51 -0.25 0.00 0.00 2.57 0.00 0.00 27.41 30.24 2dao h HIS 53 CO 0.04 1.11 0.07 1.17 -3.07 0.00 0.00 177.93 177.25 2dao n LYS 54 N -4.13 0.11 -2.75 5.12 3.00 -1.01 -4.80 118.16 113.69 2dao n LYS 54 Ca -0.01 0.60 -0.09 0.00 -0.00 0.00 0.00 58.31 58.81 2dao n LYS 54 Cb 0.48 -1.93 0.02 0.00 0.00 0.00 0.00 35.03 33.60 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 -2.09 -3.46 -4.22 3.14 5.15 -0.98 -5.02 115.26 107.77 2dao n ASN 55 Ca -0.01 -0.16 -0.36 0.00 -0.60 0.00 0.00 54.58 53.45 2dao n ASN 55 Cb 0.10 -2.16 -0.14 0.00 -0.53 0.00 0.00 39.78 37.06 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 -5.27 2.66 0.11 1.20 3.00 0.11 -5.04 118.95 115.72 2dao s ARG 56 Ca 0.17 -1.12 -0.30 0.00 -1.00 0.00 0.00 55.73 53.48 2dao s ARG 56 Cb -0.08 -3.19 -0.07 0.00 0.00 0.00 0.00 34.95 31.61 2dao s ARG 56 CO 0.22 -0.54 1.19 0.99 0.00 0.00 0.00 175.30 177.15 2dao s THR 57 N 1.33 3.89 -1.03 4.11 2.01 -1.26 -3.55 115.64 121.13 2dao s THR 57 Ca -0.02 1.44 -0.01 0.00 0.31 0.00 0.00 61.69 63.41 2dao s THR 57 Cb -0.18 -3.92 -0.01 0.00 0.01 0.00 0.00 72.50 68.39 2dao s THR 57 CO -0.01 0.16 0.86 0.59 -0.69 0.00 0.00 174.62 175.54 2dao n ASN 58 N 3.36 -2.69 -4.68 3.53 4.13 -1.26 -4.94 115.26 112.71 2dao n ASN 58 Ca 0.07 -0.56 -0.43 0.00 1.68 0.00 0.00 54.58 55.35 2dao n ASN 58 Cb 0.46 -4.57 -0.02 0.00 -1.54 0.00 0.00 39.78 34.10 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 -5.04 4.31 0.17 3.52 -2.45 -1.23 -5.03 119.30 113.55 2dao s MET 59 Ca 0.06 1.65 0.01 0.00 -1.25 0.00 0.00 55.69 56.16 2dao s MET 59 Cb -0.01 -3.64 -0.04 0.00 1.25 0.00 0.00 34.83 32.40 2dao s MET 59 CO 0.64 -0.55 0.34 0.95 1.05 0.00 0.00 175.02 177.45 2dao s THR 60 N 2.72 5.26 0.19 10.11 -4.23 -1.26 -4.45 115.64 123.98 2dao s THR 60 Ca 0.55 -0.49 0.02 0.00 -1.18 0.00 0.00 61.69 60.59 2dao s THR 60 Cb -0.23 -3.73 -0.10 0.00 1.34 0.00 0.00 72.50 69.78 2dao s THR 60 CO 0.19 -0.12 1.45 0.22 -0.54 0.00 0.00 174.62 175.81 2dao h TYR 61 N 2.12 0.39 -0.87 3.99 3.20 -1.95 -2.96 116.97 120.89 2dao h TYR 61 Ca -0.48 -0.18 -0.01 0.00 3.14 0.00 0.00 58.73 61.20 2dao h TYR 61 Cb 1.19 -0.06 -0.04 0.00 1.54 0.00 0.00 36.73 39.36 2dao h TYR 61 CO 0.55 0.93 0.50 1.49 -1.64 0.00 0.00 178.16 179.98 2dao h GLU 62 N 0.19 1.20 0.00 1.82 4.57 -1.96 -0.15 114.58 120.24 2dao h GLU 62 Ca -0.03 -0.13 0.00 0.00 -1.18 0.00 0.00 59.36 58.02 2dao h GLU 62 Cb 1.32 -0.24 0.00 0.00 -0.16 0.00 0.00 28.75 29.66 2dao h GLU 62 CO 0.12 0.86 0.00 0.36 -1.18 0.00 0.00 179.01 179.17 2dao n LYS 63 N -4.38 0.13 -0.07 1.92 2.85 -1.21 -3.84 118.16 113.55 2dao n LYS 63 Ca 0.09 0.17 -0.07 0.00 -1.05 0.00 0.00 58.31 57.45 2dao n LYS 63 Cb 0.08 -1.67 -0.03 0.00 -0.65 0.00 0.00 35.03 32.76 2dao n LYS 63 CO 0.00 0.00 0.00 1.98 -0.05 0.00 0.00 177.40 179.33 2dao h MET 64 N 0.00 0.00 -1.53 -1.58 4.05 -1.06 -3.35 114.93 111.46 2dao h MET 64 Ca 0.00 0.00 0.44 0.00 -0.28 0.00 0.00 59.70 59.86 2dao h MET 64 Cb 0.54 0.00 -0.06 0.00 -0.80 0.00 0.00 31.60 31.28 2dao h MET 64 CO 0.00 0.19 1.33 0.66 0.23 0.00 0.00 176.91 179.32 2dao h SER 65 N -1.00 0.00 -0.96 1.39 4.64 -1.18 -0.62 113.55 115.81 2dao h SER 65 Ca -0.05 0.00 0.15 0.00 -0.47 0.00 0.00 61.79 61.42 2dao h SER 65 Cb 0.54 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 62.48 2dao h SER 65 CO -0.03 0.00 -0.38 0.54 -0.87 0.00 0.00 176.83 176.09 2dao n ARG 66 N -3.60 -0.23 0.02 4.77 5.12 -1.25 -1.58 116.66 119.91 2dao n ARG 66 Ca 0.34 1.48 -0.03 0.00 -1.93 0.00 0.00 57.85 57.72 2dao n ARG 66 Cb 1.79 -2.20 -0.02 0.00 -1.16 0.00 0.00 32.46 30.87 2dao n ARG 66 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2dao h ALA 67 N 1.31 -0.63 -0.85 7.54 0.00 -1.38 -1.42 119.26 123.84 2dao h ALA 67 Ca 0.33 -0.02 0.32 0.00 0.00 0.00 0.00 54.91 55.54 2dao h ALA 67 Cb 0.57 0.53 -0.12 0.00 0.00 0.00 0.00 17.79 18.78 2dao h ALA 67 CO -0.96 -0.65 0.50 1.28 0.00 0.00 0.00 179.25 179.43 2dao n LEU 68 N -2.98 0.20 0.36 0.00 7.99 -0.61 0.11 117.00 122.07 2dao n LEU 68 Ca -0.01 1.10 -0.17 0.00 -0.01 0.00 0.00 56.01 56.91 2dao n LEU 68 Cb 0.07 -0.54 -0.09 0.00 -0.11 0.00 0.00 43.42 42.76 2dao n LEU 68 CO 0.03 -1.21 0.58 -0.09 -1.51 0.00 0.00 177.39 175.18 2dao h ARG 69 N 0.00 -0.87 -1.06 3.23 1.12 -0.76 -1.84 114.38 114.20 2dao h ARG 69 Ca 0.62 0.06 0.32 0.00 -1.11 0.00 0.00 59.98 59.87 2dao h ARG 69 Cb 1.81 0.20 -0.13 0.00 -0.01 0.00 0.00 29.97 31.84 2dao h ARG 69 CO -0.45 -0.56 0.63 0.45 -3.11 0.00 0.00 179.97 176.94 2dao h HIS 70 N -1.00 0.84 -0.34 2.20 3.86 0.10 0.54 115.15 121.34 2dao h HIS 70 Ca -0.09 0.03 -0.16 0.00 -1.16 0.00 0.00 60.37 58.99 2dao h HIS 70 Cb 0.72 -0.23 -0.01 0.00 1.06 0.00 0.00 27.41 28.96 2dao h HIS 70 CO -0.01 -0.10 -0.41 1.88 0.86 0.00 0.00 177.93 180.15 2dao h TYR 71 N 0.34 1.01 -0.81 2.45 0.05 -1.23 -3.17 116.97 115.62 2dao h TYR 71 Ca 0.71 -0.31 0.20 0.00 0.05 0.00 0.00 58.73 59.38 2dao h TYR 71 Cb 1.70 -0.21 -0.14 0.00 1.01 0.00 0.00 36.73 39.10 2dao h TYR 71 CO -0.01 1.10 0.08 1.88 -1.05 0.00 0.00 178.16 180.17 2dao h TYR 72 N 0.68 0.08 0.00 4.88 0.05 0.94 1.03 116.97 124.62 2dao h TYR 72 Ca 0.05 0.05 -0.03 0.00 0.05 0.00 0.00 58.73 58.86 2dao h TYR 72 Cb 0.98 0.09 -0.00 0.00 1.01 0.00 0.00 36.73 38.81 2dao h TYR 72 CO 0.06 -0.24 -0.14 0.87 -1.05 0.00 0.00 178.16 177.66 2dao h LYS 73 N 0.14 0.00 0.00 4.88 6.56 -1.51 -1.11 116.57 125.53 2dao h LYS 73 Ca 0.47 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 60.06 2dao h LYS 73 Cb 0.87 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.53 2dao h LYS 73 CO -0.67 0.14 0.00 1.28 -2.06 0.00 0.00 179.45 178.14 2dao n LEU 74 N -3.91 0.00 -3.65 2.94 4.77 0.35 -4.86 117.00 112.65 2dao n LEU 74 Ca -0.02 0.00 -0.27 0.00 -0.03 0.00 0.00 56.01 55.69 2dao n LEU 74 Cb 0.24 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.36 2dao n LEU 74 CO 0.32 0.00 0.12 0.59 -1.33 0.00 0.00 177.39 177.09 2dao n ASN 75 N -0.55 -5.35 -0.09 -1.43 4.13 -0.42 -4.88 115.26 106.67 2dao n ASN 75 Ca 0.02 -0.61 -0.18 0.00 1.68 0.00 0.00 54.58 55.50 2dao n ASN 75 Cb 0.01 -4.26 -0.07 0.00 -1.54 0.00 0.00 39.78 33.92 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 -4.68 1.00 -4.27 2.41 5.41 -1.20 -4.84 119.36 113.19 2dao n ILE 76 Ca 0.01 -0.29 -0.20 0.00 1.00 0.00 0.00 62.75 63.27 2dao n ILE 76 Cb 0.55 -1.58 -0.11 0.00 -0.71 0.00 0.00 39.64 37.78 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 -2.34 1.52 0.03 1.39 1.01 -1.26 -3.62 121.20 117.94 2dao s ILE 77 Ca -0.25 -1.70 0.05 0.00 0.00 0.00 0.00 60.65 58.75 2dao s ILE 77 Cb 0.09 -1.58 -0.02 0.00 0.01 0.00 0.00 42.46 40.96 2dao s ILE 77 CO 0.34 -0.30 -0.15 -0.13 0.00 0.00 0.00 174.94 174.70 2dao s ARG 78 N -2.47 1.03 -0.38 2.79 1.81 -1.19 -4.04 118.95 116.50 2dao s ARG 78 Ca 0.09 -0.76 -0.01 0.00 -1.72 0.00 0.00 55.73 53.33 2dao s ARG 78 Cb -0.07 -1.05 0.11 0.00 -0.45 0.00 0.00 34.95 33.49 2dao s ARG 78 CO 0.04 0.27 0.15 0.21 -0.68 0.00 0.00 175.30 175.29 2dao s LYS 79 N -1.06 1.85 0.25 3.54 2.20 -1.26 -1.70 119.74 123.56 2dao s LYS 79 Ca 0.03 -1.82 -0.28 0.00 -0.36 0.00 0.00 55.97 53.53 2dao s LYS 79 Cb -0.08 -3.46 -0.15 0.00 -1.51 0.00 0.00 37.83 32.63 2dao s LYS 79 CO 0.01 -1.02 0.82 0.39 -0.36 0.00 0.00 175.35 175.19 2dao n GLU 80 N 4.49 0.80 0.02 4.03 -0.58 -1.06 -4.91 120.64 123.42 2dao n GLU 80 Ca -0.01 0.28 -0.13 0.00 -0.42 0.00 0.00 57.16 56.89 2dao n GLU 80 Cb 0.42 -1.51 -0.09 0.00 -0.57 0.00 0.00 31.44 29.69 2dao n GLU 80 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 2dao h PRO 81 N 1.63 -0.08 0.00 3.49 0.13 -1.98 -3.39 132.00 131.80 2dao h PRO 81 Ca -0.35 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 2dao h PRO 81 Cb 1.38 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.53 2dao h PRO 81 CO 0.59 0.37 0.00 0.41 -0.23 0.00 0.00 178.00 179.15 2dao n GLY 82 N 0.20 -1.53 3.65 1.56 0.00 -1.26 -4.70 105.19 103.12 2dao n GLY 82 Ca -0.08 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.44 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 -1.77 1.95 -1.45 1.61 3.00 -1.26 -4.93 117.38 114.53 2dao n GLN 83 Ca 0.00 0.69 -0.32 0.00 -0.01 0.00 0.00 57.00 57.36 2dao n GLN 83 Cb 0.00 -2.62 0.08 0.00 0.00 0.00 0.00 30.24 27.69 2dao n GLN 83 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.06 177.56 2dao s ARG 84 N 4.48 2.44 -1.25 -1.09 6.06 -1.26 -3.36 118.95 124.97 2dao s ARG 84 Ca 0.96 1.28 -0.13 0.00 -2.50 0.00 0.00 55.73 55.33 2dao s ARG 84 Cb -0.72 -1.91 0.13 0.00 0.06 0.00 0.00 34.95 32.51 2dao s ARG 84 CO 0.51 -1.51 0.33 1.28 -2.50 0.00 0.00 175.30 173.41 2dao n LEU 85 N -3.08 -0.59 -4.50 -0.88 4.32 -1.26 -4.86 117.00 106.15 2dao n LEU 85 Ca 0.10 -0.87 -0.34 0.00 -0.02 0.00 0.00 56.01 54.88 2dao n LEU 85 Cb 0.53 -1.10 -0.12 0.00 -1.62 0.00 0.00 43.42 41.10 2dao n LEU 85 CO 0.51 0.12 -0.35 -0.22 -1.22 0.00 0.00 177.39 176.23 2dao s LEU 86 N -5.46 3.26 -0.01 2.23 1.98 -1.21 -3.18 118.68 116.30 2dao s LEU 86 Ca 0.46 -0.13 0.02 0.00 -2.89 0.00 0.00 54.13 51.59 2dao s LEU 86 Cb -0.27 -1.79 -0.00 0.00 0.66 0.00 0.00 46.19 44.79 2dao s LEU 86 CO 0.70 0.16 -0.06 -0.36 -1.89 0.00 0.00 176.35 174.91 2dao s PHE 87 N 0.41 0.55 -0.20 5.38 0.08 -0.93 -2.58 117.98 120.69 2dao s PHE 87 Ca -0.04 -0.10 0.01 0.00 0.12 0.00 0.00 56.93 56.92 2dao s PHE 87 Cb -0.14 -0.36 0.02 0.00 -0.57 0.00 0.00 43.02 41.97 2dao s PHE 87 CO 0.03 -0.02 -0.17 -0.98 -0.10 0.00 0.00 175.22 173.98 2dao s ARG 88 N -0.09 2.94 -0.93 0.44 1.70 -0.69 -1.46 118.95 120.87 2dao s ARG 88 Ca 0.02 -0.87 -0.21 0.00 -0.47 0.00 0.00 55.73 54.20 2dao s ARG 88 Cb -0.03 -2.68 -0.12 0.00 -0.57 0.00 0.00 34.95 31.56 2dao s ARG 88 CO -0.00 -0.26 1.96 1.19 -1.08 0.00 0.00 175.30 177.11 2dao n PHE 89 N 4.62 2.29 0.00 5.89 3.72 0.06 -3.18 117.46 130.87 2dao n PHE 89 Ca -0.20 -1.95 0.00 0.00 -0.05 0.00 0.00 57.45 55.26 2dao n PHE 89 Cb 0.49 -1.97 0.00 0.00 -0.94 0.00 0.00 39.48 37.06 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 7.10 0.00 -3.89 -1.08 2.81 -1.24 -4.54 117.12 116.28 2dao n MET 90 Ca 0.49 0.54 -0.21 0.00 -1.81 0.00 0.00 57.70 56.71 2dao n MET 90 Cb 0.41 -0.90 -0.02 0.00 -0.71 0.00 0.00 33.22 32.00 2dao n MET 90 CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 2dao s LYS 91 N -2.00 3.21 0.34 0.03 2.20 -1.25 -4.99 119.74 117.27 2dao s LYS 91 Ca 0.00 -0.92 -0.28 0.00 -0.36 0.00 0.00 55.97 54.41 2dao s LYS 91 Cb 0.00 -2.77 -0.10 0.00 -1.51 0.00 0.00 37.83 33.45 2dao s LYS 91 CO 0.00 0.33 1.24 -0.08 -0.36 0.00 0.00 175.35 176.48 2dao s THR 92 N -2.08 2.93 0.29 3.43 -1.32 -1.26 -4.94 115.64 112.70 2dao s THR 92 Ca 0.36 0.90 0.08 0.00 -1.21 0.00 0.00 61.69 61.83 2dao s THR 92 Cb -0.09 -3.56 0.02 0.00 -1.51 0.00 0.00 72.50 67.37 2dao s THR 92 CO 0.28 0.19 1.68 1.55 -2.21 0.00 0.00 174.62 176.11 2dao h PRO 93 N 3.27 0.16 0.00 7.08 0.13 -1.97 -2.88 132.00 137.78 2dao h PRO 93 Ca -0.49 -0.08 -0.01 0.00 -0.87 0.00 0.00 66.00 64.55 2dao h PRO 93 Cb 1.23 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.36 2dao h PRO 93 CO 0.65 0.60 -0.06 0.22 -0.23 0.00 0.00 178.00 179.18 2dao h ASP 94 N 0.13 0.00 0.13 1.44 1.82 -2.01 -2.73 116.42 115.20 2dao h ASP 94 Ca 0.01 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.64 2dao h ASP 94 Cb 0.89 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.90 2dao h ASP 94 CO 0.07 0.06 -0.06 -0.33 -1.61 0.00 0.00 179.24 177.36 2dao h GLU 95 N 0.00 -0.17 -0.93 0.28 4.39 -1.90 -3.32 114.58 112.93 2dao h GLU 95 Ca -0.00 0.01 0.26 0.00 0.34 0.00 0.00 59.36 59.97 2dao h GLU 95 Cb 0.14 0.04 -0.17 0.00 -0.10 0.00 0.00 28.75 28.66 2dao h GLU 95 CO 0.01 -0.11 0.12 0.82 -1.16 0.00 0.00 179.01 178.68 2dao h ILE 96 N -0.37 0.14 -0.76 3.13 5.03 -1.61 0.22 117.51 123.29 2dao h ILE 96 Ca -0.02 -0.03 0.31 0.00 -0.12 0.00 0.00 64.86 65.01 2dao h ILE 96 Cb 0.13 0.06 -0.13 0.00 -3.03 0.00 0.00 36.82 33.85 2dao h ILE 96 CO 0.03 0.01 0.41 0.23 -0.68 0.00 0.00 178.15 178.15 2dao n MET 97 N -5.38 -0.04 -2.60 2.37 2.81 -1.03 -3.81 117.12 109.43 2dao n MET 97 Ca 0.22 1.03 -0.43 0.00 -1.81 0.00 0.00 57.70 56.71 2dao n MET 97 Cb 0.74 -1.85 -0.02 0.00 -0.71 0.00 0.00 33.22 31.38 2dao n MET 97 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 2dao s SER 98 N -4.63 6.71 0.00 7.83 0.15 0.77 -4.84 113.70 119.68 2dao s SER 98 Ca -0.07 0.67 0.00 0.00 0.70 0.00 0.00 55.95 57.25 2dao s SER 98 Cb 0.25 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 62.02 2dao s SER 98 CO 0.58 -1.15 0.00 0.61 1.20 0.00 0.00 173.24 174.48 2dao n GLY 99 N 4.56 2.60 2.63 9.45 0.00 -1.25 -5.05 105.19 118.14 2dao n GLY 99 Ca 0.12 0.01 -0.27 0.00 0.00 0.00 0.00 46.02 45.88 2dao n GLY 99 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dao n ARG 100 N 0.00 1.24 -2.54 1.61 1.74 -1.26 -4.88 116.66 112.56 2dao n ARG 100 Ca 0.00 -3.96 -0.08 0.00 -0.77 0.00 0.00 57.85 53.04 2dao n ARG 100 Cb 0.00 -2.00 -0.02 0.00 -1.02 0.00 0.00 32.46 29.43 2dao n ARG 100 CO 0.00 0.00 0.00 -2.37 -1.52 0.00 0.00 177.63 173.74 2dao n THR 101 N 2.13 0.00 -3.24 0.55 5.66 -1.26 -4.75 114.28 113.36 2dao n THR 101 Ca 0.25 0.00 0.04 0.00 -3.05 0.00 0.00 64.05 61.28 2dao n THR 101 Cb 0.41 -0.10 -0.03 0.00 -1.55 0.00 0.00 70.33 69.07 2dao n THR 101 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2dao s ASP 102 N -1.89 -0.38 -0.21 1.09 2.15 -1.26 -5.12 116.67 111.05 2dao s ASP 102 Ca 0.16 0.40 -0.04 0.00 0.43 0.00 0.00 52.55 53.50 2dao s ASP 102 Cb -0.09 1.38 0.10 0.00 -0.30 0.00 0.00 42.92 44.01 2dao s ASP 102 CO 0.20 -0.07 0.27 -0.13 -0.17 0.00 0.00 175.17 175.27 2dao s ARG 103 N 2.53 0.23 -1.29 4.34 1.81 -1.26 -4.85 118.95 120.46 2dao s ARG 103 Ca -0.01 0.35 -0.16 0.00 -1.72 0.00 0.00 55.73 54.18 2dao s ARG 103 Cb -0.06 -0.90 0.16 0.00 -0.45 0.00 0.00 34.95 33.71 2dao s ARG 103 CO -0.15 -0.61 0.41 1.47 -0.68 0.00 0.00 175.30 175.74 2dao n LEU 104 N 5.33 -0.57 -0.06 2.53 -0.00 -1.26 -4.74 117.00 118.23 2dao n LEU 104 Ca -0.05 -0.83 -0.22 0.00 -0.00 0.00 0.00 56.01 54.91 2dao n LEU 104 Cb 0.50 -1.13 -0.12 0.00 -0.00 0.00 0.00 43.42 42.66 2dao n LEU 104 CO 0.07 0.07 -0.82 1.21 -0.00 0.00 0.00 177.39 177.92 2dao n GLU 105 N -3.00 0.66 0.12 1.47 2.13 -1.26 -4.03 120.64 116.72 2dao n GLU 105 Ca 0.08 0.38 0.07 0.00 0.66 0.00 0.00 57.16 58.34 2dao n GLU 105 Cb 0.33 -1.68 0.35 0.00 0.27 0.00 0.00 31.44 30.70 2dao n GLU 105 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 2dao n HIS 106 N -3.91 0.43 -0.32 4.31 8.25 -1.26 0.32 115.22 123.04 2dao n HIS 106 Ca -0.36 0.23 0.07 0.00 -0.26 0.00 0.00 57.72 57.40 2dao n HIS 106 Cb 0.88 -0.76 0.31 0.00 1.12 0.00 0.00 29.99 31.54 2dao n HIS 106 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2dao n LEU 107 N -1.96 4.28 -0.09 2.41 4.32 -1.26 -4.31 117.00 120.41 2dao n LEU 107 Ca -0.01 -2.17 -0.14 0.00 -0.02 0.00 0.00 56.01 53.68 2dao n LEU 107 Cb 0.16 -0.57 -0.05 0.00 -1.62 0.00 0.00 43.42 41.35 2dao n LEU 107 CO 0.06 0.63 0.53 1.05 -1.22 0.00 0.00 177.39 178.44 2dao h GLU 108 N 3.29 0.72 -1.35 3.23 -0.00 -0.34 -3.36 114.58 116.78 2dao h GLU 108 Ca 0.00 -0.41 -0.45 0.00 -0.00 0.00 0.00 59.36 58.50 2dao h GLU 108 Cb 1.40 0.03 -0.41 0.00 -0.00 0.00 0.00 28.75 29.77 2dao h GLU 108 CO 0.27 1.03 -1.03 0.45 -0.00 0.00 0.00 179.01 179.72 2dao n SER 109 N -4.22 2.47 -0.08 3.06 2.88 -1.26 -4.80 113.62 111.67 2dao n SER 109 Ca -0.04 -3.09 -0.14 0.00 -1.33 0.00 0.00 58.87 54.27 2dao n SER 109 Cb 0.51 -0.52 -0.07 0.00 -0.75 0.00 0.00 64.21 63.38 2dao n SER 109 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 2dao n GLN 110 N -0.15 0.37 0.08 -1.46 -0.06 -1.26 -4.64 117.38 110.26 2dao n GLN 110 Ca 0.21 0.12 -0.19 0.00 -2.00 0.00 0.00 57.00 55.13 2dao n GLN 110 Cb 0.73 -1.21 -0.15 0.00 -4.06 0.00 0.00 30.24 25.55 2dao n GLN 110 CO 0.00 0.00 0.00 0.93 -0.20 0.00 0.00 177.06 177.79 2dao h GLU 111 N -0.25 0.32 -0.82 3.69 4.39 -1.88 -3.36 114.58 116.67 2dao h GLU 111 Ca -0.37 -0.55 0.15 0.00 0.34 0.00 0.00 59.36 58.92 2dao h GLU 111 Cb 1.46 0.21 -0.15 0.00 -0.10 0.00 0.00 28.75 30.17 2dao h GLU 111 CO -0.14 1.22 -0.31 -0.07 -1.16 0.00 0.00 179.01 178.55 2dao h LEU 112 N 0.09 -1.11 -7.00 1.33 3.38 -1.84 -3.42 115.31 106.74 2dao h LEU 112 Ca -0.25 0.27 0.07 0.00 0.09 0.00 0.00 57.88 58.06 2dao h LEU 112 Cb 2.05 0.62 -0.25 0.00 0.09 0.00 0.00 40.66 43.17 2dao h LEU 112 CO 0.19 -0.29 0.30 -0.55 0.09 0.00 0.00 178.44 178.18 2dao s SER 113 N -5.26 -0.61 0.03 -0.43 0.15 -1.26 -5.10 113.70 101.23 2dao s SER 113 Ca -0.14 1.02 -0.19 0.00 0.70 0.00 0.00 55.95 57.34 2dao s SER 113 Cb 0.20 1.19 -0.06 0.00 -1.71 0.00 0.00 66.02 65.65 2dao s SER 113 CO 0.73 -0.17 0.55 -0.83 1.20 0.00 0.00 173.24 174.72 2dao s GLY 114 N 1.11 2.62 1.16 9.45 0.00 -1.26 -4.71 107.32 115.68 2dao s GLY 114 Ca -0.06 -0.01 -0.18 0.00 0.00 0.00 0.00 44.72 44.48 2dao s GLY 114 CO -0.13 0.53 1.11 2.56 0.00 0.00 0.00 173.10 177.16 2dao s PRO 115 N -0.75 -0.87 0.00 2.90 0.04 -1.26 -5.03 135.00 130.03 2dao s PRO 115 Ca 0.29 0.06 0.00 0.00 0.04 0.00 0.00 61.00 61.39 2dao s PRO 115 Cb -0.19 -1.63 0.00 0.00 0.04 0.00 0.00 34.50 32.73 2dao s PRO 115 CO 0.17 -3.50 0.00 -1.13 0.04 0.00 0.00 177.00 172.58 2dao n SER 116 N -4.63 0.81 -4.56 6.66 3.41 -1.26 -4.97 113.62 109.08 2dao n SER 116 Ca 0.11 0.00 -0.16 0.00 -0.26 0.00 0.00 58.87 58.56 2dao n SER 116 Cb 0.59 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.47 2dao n SER 116 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2dao s SER 117 N -4.34 4.06 0.00 4.04 0.01 -1.26 -5.39 113.70 110.82 2dao s SER 117 Ca 0.00 -0.33 0.00 0.00 1.31 0.00 0.00 55.95 56.93 2dao s SER 117 Cb 0.00 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.67 2dao s SER 117 CO 0.00 -3.82 0.35 0.61 0.41 0.00 0.00 173.24 170.79