#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 3.39 -0.31 1.61 0.15 -1.26 -4.99 113.70 112.29 2dao s SER 2 Ca 0.00 -0.80 0.14 0.00 0.70 0.00 0.00 55.95 56.00 2dao s SER 2 Cb 0.00 -1.49 0.47 0.00 -1.71 0.00 0.00 66.02 63.29 2dao s SER 2 CO 0.00 -0.04 1.11 -1.20 1.20 0.00 0.00 173.24 174.31 2dao n SER 3 N 4.58 3.12 -0.02 5.45 7.64 -1.26 -4.83 113.62 128.31 2dao n SER 3 Ca -0.20 -2.95 -0.21 0.00 1.01 0.00 0.00 58.87 56.52 2dao n SER 3 Cb 0.48 -0.44 -0.14 0.00 -1.01 0.00 0.00 64.21 63.11 2dao n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dao n GLY 4 N -0.53 -0.58 3.63 0.23 0.00 -1.26 -4.84 105.19 101.83 2dao n GLY 4 Ca 0.24 -0.23 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 2dao n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dao s SER 5 N -7.01 6.31 0.33 1.61 0.15 -1.26 -4.97 113.70 108.87 2dao s SER 5 Ca -0.24 1.63 0.04 0.00 0.70 0.00 0.00 55.95 58.09 2dao s SER 5 Cb 0.07 -2.53 -0.03 0.00 -1.71 0.00 0.00 66.02 61.81 2dao s SER 5 CO 0.74 -1.31 0.18 -0.94 1.20 0.00 0.00 173.24 173.11 2dao s SER 6 N 4.51 1.85 0.40 5.45 1.04 -1.26 -5.09 113.70 120.60 2dao s SER 6 Ca 0.73 -1.64 0.00 0.00 0.48 0.00 0.00 55.95 55.53 2dao s SER 6 Cb -0.25 0.46 0.00 0.00 0.10 0.00 0.00 66.02 66.33 2dao s SER 6 CO 0.30 -0.94 0.00 0.61 0.98 0.00 0.00 173.24 174.19 2dao n GLY 7 N -0.67 -1.18 0.34 7.32 0.00 -1.26 -4.92 105.19 104.83 2dao n GLY 7 Ca 0.01 0.21 0.30 0.00 0.00 0.00 0.00 46.02 46.53 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 -5.14 -1.18 -4.26 0.00 1.74 -1.26 -4.82 116.66 101.74 2dao n ARG 9 Ca 0.36 0.16 -0.28 0.00 -0.77 0.00 0.00 57.85 57.32 2dao n ARG 9 Cb 1.20 -4.31 -0.09 0.00 -1.02 0.00 0.00 32.46 28.23 2dao n ARG 9 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2dao s LEU 10 N -7.29 3.00 -0.01 0.55 1.43 -1.26 -4.53 118.68 110.57 2dao s LEU 10 Ca 0.46 -0.50 -0.00 0.00 -1.03 0.00 0.00 54.13 53.06 2dao s LEU 10 Cb -0.27 -1.73 -0.00 0.00 0.03 0.00 0.00 46.19 44.22 2dao s LEU 10 CO 1.00 0.13 -0.01 0.25 0.23 0.00 0.00 176.35 177.95 2dao h LEU 11 N 3.19 0.00 -0.71 1.79 5.85 -1.90 -2.77 115.31 120.75 2dao h LEU 11 Ca -0.48 0.00 0.28 0.00 0.84 0.00 0.00 57.88 58.52 2dao h LEU 11 Cb 1.19 0.00 -0.13 0.00 0.37 0.00 0.00 40.66 42.09 2dao h LEU 11 CO 0.53 0.07 0.32 -2.67 -0.34 0.00 0.00 178.44 176.35 2dao n TRP 12 N -2.41 0.76 -0.02 1.25 4.27 -1.26 0.21 117.44 120.24 2dao n TRP 12 Ca -0.00 0.84 -0.16 0.00 -3.89 0.00 0.00 57.50 54.29 2dao n TRP 12 Cb 0.01 -1.23 -0.11 0.00 -1.36 0.00 0.00 31.31 28.63 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 0.40 -1.11 -0.67 3.58 -2.01 -3.20 116.42 113.41 2dao h ASP 13 Ca 0.57 -0.73 0.32 0.00 0.42 0.00 0.00 57.03 57.62 2dao h ASP 13 Cb 1.47 -0.12 -0.04 0.00 1.72 0.00 0.00 39.33 42.36 2dao h ASP 13 CO -0.57 1.07 1.24 0.00 -2.88 0.00 0.00 179.24 178.10 2dao n TYR 14 N -4.37 0.00 0.14 0.28 9.36 0.55 -0.90 117.16 122.22 2dao n TYR 14 Ca -0.09 0.00 -0.06 0.00 3.32 0.00 0.00 57.90 61.07 2dao n TYR 14 Cb 0.56 -0.28 -0.03 0.00 -0.63 0.00 0.00 39.34 38.97 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 -0.85 2.97 2.07 -1.50 -3.11 116.25 115.82 2dao h VAL 15 Ca 0.53 0.00 0.10 0.00 0.82 0.00 0.00 66.70 68.14 2dao h VAL 15 Cb 3.00 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 32.65 2dao h VAL 15 CO -0.01 0.00 -0.52 0.22 0.02 0.00 0.00 177.57 177.29 2dao h TYR 16 N -0.37 -1.61 -1.30 1.57 3.20 -1.23 0.67 116.97 117.91 2dao h TYR 16 Ca -0.04 0.11 0.45 0.00 3.14 0.00 0.00 58.73 62.39 2dao h TYR 16 Cb 0.29 0.82 -0.13 0.00 1.54 0.00 0.00 36.73 39.25 2dao h TYR 16 CO 0.12 -0.40 0.84 1.04 -1.64 0.00 0.00 178.16 178.12 2dao n GLN 17 N -5.34 -0.03 -0.05 1.82 6.02 -1.22 -0.31 117.38 118.28 2dao n GLN 17 Ca 0.03 1.15 -0.04 0.00 -0.01 0.00 0.00 57.00 58.13 2dao n GLN 17 Cb 0.31 -2.28 -0.04 0.00 1.02 0.00 0.00 30.24 29.26 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 -0.02 -0.73 1.08 3.38 0.39 -3.32 115.31 116.10 2dao h LEU 18 Ca 0.81 -0.27 0.10 0.00 0.09 0.00 0.00 57.88 58.61 2dao h LEU 18 Cb 2.66 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 43.30 2dao h LEU 18 CO -0.41 0.62 -0.46 -0.07 0.09 0.00 0.00 178.44 178.20 2dao h LEU 19 N -1.00 -1.63 -0.90 1.67 -0.00 0.18 0.21 115.31 113.84 2dao h LEU 19 Ca -0.00 0.27 0.24 0.00 -0.00 0.00 0.00 57.88 58.39 2dao h LEU 19 Cb 0.29 0.75 -0.16 0.00 -0.00 0.00 0.00 40.66 41.54 2dao h LEU 19 CO 0.00 -0.31 0.08 0.28 -0.00 0.00 0.00 178.44 178.50 2dao h SER 20 N -0.15 -0.31 -3.52 -0.43 0.02 -1.31 -3.32 113.55 104.53 2dao h SER 20 Ca 0.20 0.24 -0.61 0.00 -0.84 0.00 0.00 61.79 60.79 2dao h SER 20 Cb 0.54 0.39 -0.11 0.00 0.14 0.00 0.00 62.40 63.36 2dao h SER 20 CO -0.79 -0.26 0.56 -1.81 -1.14 0.00 0.00 176.83 173.38 2dao s ASP 21 N -5.07 6.44 0.50 3.07 1.01 0.73 -4.90 116.67 118.45 2dao s ASP 21 Ca -0.13 -0.04 0.16 0.00 0.71 0.00 0.00 52.55 53.25 2dao s ASP 21 Cb 0.27 -2.44 1.21 0.00 1.01 0.00 0.00 42.92 42.96 2dao s ASP 21 CO 0.77 -1.09 2.11 0.28 0.21 0.00 0.00 175.17 177.45 2dao h SER 22 N 9.14 0.10 0.00 0.27 0.02 -1.76 -1.05 113.55 120.27 2dao h SER 22 Ca -0.25 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.70 2dao h SER 22 Cb 1.08 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.59 2dao h SER 22 CO 1.04 0.07 0.28 0.03 -1.14 0.00 0.00 176.83 177.10 2dao h ARG 23 N 0.11 0.00 -0.63 3.45 3.08 -1.90 0.44 114.38 118.93 2dao h ARG 23 Ca 0.07 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 59.78 2dao h ARG 23 Cb 0.15 0.00 -0.20 0.00 0.08 0.00 0.00 29.97 29.99 2dao h ARG 23 CO -0.01 0.00 0.20 0.66 -1.07 0.00 0.00 179.97 179.75 2dao n TYR 24 N -2.34 1.97 0.09 3.04 4.02 -0.40 -4.66 117.16 118.88 2dao n TYR 24 Ca -0.01 -1.80 -0.10 0.00 -0.01 0.00 0.00 57.90 55.97 2dao n TYR 24 Cb 0.31 -0.70 -0.07 0.00 -0.02 0.00 0.00 39.34 38.85 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 1.10 -0.29 -1.18 -0.72 5.08 -0.15 -1.18 114.58 117.24 2dao h GLU 25 Ca 0.40 0.02 0.41 0.00 -1.00 0.00 0.00 59.36 59.19 2dao h GLU 25 Cb 2.04 0.07 -0.15 0.00 0.50 0.00 0.00 28.75 31.21 2dao h GLU 25 CO 0.73 0.07 0.72 -0.91 -1.00 0.00 0.00 179.01 178.62 2dao h ASN 26 N -0.92 0.31 0.11 1.42 4.21 -1.83 0.29 115.58 119.17 2dao h ASN 26 Ca -0.03 0.18 -0.17 0.00 1.21 0.00 0.00 56.30 57.49 2dao h ASN 26 Cb 0.49 0.17 0.01 0.00 -1.12 0.00 0.00 38.32 37.87 2dao h ASN 26 CO 0.05 -0.25 -0.80 -0.26 -1.29 0.00 0.00 177.43 174.88 2dao h PHE 27 N 0.10 0.41 -2.34 1.19 0.04 -1.90 -3.38 116.94 111.06 2dao h PHE 27 Ca 0.82 -0.30 -0.07 0.00 2.80 0.00 0.00 57.97 61.22 2dao h PHE 27 Cb 2.34 -0.02 -0.23 0.00 2.20 0.00 0.00 35.95 40.25 2dao h PHE 27 CO -0.01 1.31 -0.06 -1.50 -0.60 0.00 0.00 178.31 177.45 2dao s ILE 28 N -2.40 -0.00 0.24 -0.55 2.07 0.10 -0.31 121.20 120.35 2dao s ILE 28 Ca -0.16 0.01 0.01 0.00 -1.41 0.00 0.00 60.65 59.10 2dao s ILE 28 Cb 0.01 -0.81 -0.04 0.00 0.13 0.00 0.00 42.46 41.76 2dao s ILE 28 CO 0.78 0.00 0.17 0.00 -1.91 0.00 0.00 174.94 173.99 2dao s ARG 29 N 0.58 1.37 -0.36 3.50 1.70 -1.23 -3.51 118.95 121.00 2dao s ARG 29 Ca -0.02 -1.75 -0.26 0.00 -0.47 0.00 0.00 55.73 53.22 2dao s ARG 29 Cb -0.05 0.23 0.02 0.00 -0.57 0.00 0.00 34.95 34.58 2dao s ARG 29 CO -0.03 -0.45 0.95 -1.58 -1.08 0.00 0.00 175.30 173.10 2dao s TRP 30 N -3.93 3.08 -0.02 5.89 0.52 -1.26 -3.19 118.94 120.03 2dao s TRP 30 Ca 0.39 0.82 -0.18 0.00 0.02 0.00 0.00 56.10 57.15 2dao s TRP 30 Cb 0.06 -3.67 -0.10 0.00 -1.15 0.00 0.00 33.47 28.61 2dao s TRP 30 CO 0.16 -0.83 0.77 0.93 0.02 0.00 0.00 176.95 178.00 2dao h GLU 31 N 8.45 -0.63 -2.65 4.98 4.39 -0.60 -3.42 114.58 125.10 2dao h GLU 31 Ca -0.23 0.04 -0.60 0.00 0.34 0.00 0.00 59.36 58.92 2dao h GLU 31 Cb 1.08 0.14 -0.39 0.00 -0.10 0.00 0.00 28.75 29.48 2dao h GLU 31 CO 0.99 -0.41 -0.84 -0.51 -1.16 0.00 0.00 179.01 177.09 2dao s ASP 32 N -4.81 2.73 0.56 1.42 1.01 -0.65 -4.96 116.67 111.97 2dao s ASP 32 Ca -0.10 -2.97 0.36 0.00 0.71 0.00 0.00 52.55 50.55 2dao s ASP 32 Cb 0.01 -0.76 1.47 0.00 1.01 0.00 0.00 42.92 44.65 2dao s ASP 32 CO 0.30 -0.20 1.72 0.11 0.21 0.00 0.00 175.17 177.31 2dao h LYS 33 N 6.05 0.00 -0.85 8.23 1.79 -1.81 0.24 116.57 130.21 2dao h LYS 33 Ca 0.16 0.00 0.15 0.00 -2.18 0.00 0.00 60.65 58.77 2dao h LYS 33 Cb 0.90 0.00 -0.09 0.00 -1.58 0.00 0.00 32.23 31.45 2dao h LYS 33 CO 0.44 0.00 0.43 0.93 -1.08 0.00 0.00 179.45 180.17 2dao h GLU 34 N 0.00 0.60 -0.07 3.15 5.08 -1.95 -2.04 114.58 119.35 2dao h GLU 34 Ca 0.54 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.82 2dao h GLU 34 Cb 2.36 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 31.45 2dao h GLU 34 CO -0.01 0.39 -0.46 0.43 -1.00 0.00 0.00 179.01 178.37 2dao n SER 35 N -4.88 1.92 -4.27 1.42 7.64 0.77 -4.96 113.62 111.25 2dao n SER 35 Ca 0.17 -3.89 -0.34 0.00 1.01 0.00 0.00 58.87 55.82 2dao n SER 35 Cb 0.44 -0.54 -0.06 0.00 -1.01 0.00 0.00 64.21 63.04 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 -1.11 -1.96 -3.40 1.43 5.02 -0.77 -4.27 118.16 113.10 2dao n LYS 36 Ca 0.22 0.24 -0.38 0.00 -2.02 0.00 0.00 58.31 56.37 2dao n LYS 36 Cb 0.74 -4.44 -0.07 0.00 -0.02 0.00 0.00 35.03 31.24 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 -3.75 5.21 0.31 -0.18 1.01 -0.89 -2.75 121.20 120.17 2dao s ILE 37 Ca 0.39 0.71 0.09 0.00 0.00 0.00 0.00 60.65 61.83 2dao s ILE 37 Cb -0.22 -3.72 -0.06 0.00 0.01 0.00 0.00 42.46 38.47 2dao s ILE 37 CO 0.96 0.28 -0.10 0.72 0.00 0.00 0.00 174.94 176.80 2dao s PHE 38 N 1.14 2.23 -0.15 3.97 -0.71 -0.50 0.16 117.98 124.12 2dao s PHE 38 Ca 0.19 -0.55 -0.12 0.00 -1.04 0.00 0.00 56.93 55.42 2dao s PHE 38 Cb -0.15 -1.24 0.05 0.00 -1.21 0.00 0.00 43.02 40.47 2dao s PHE 38 CO 0.08 0.50 0.39 0.50 -1.34 0.00 0.00 175.22 175.34 2dao s ARG 39 N -3.64 0.42 -0.61 1.99 3.52 -1.19 -1.87 118.95 117.57 2dao s ARG 39 Ca 0.31 0.62 -0.27 0.00 -0.13 0.00 0.00 55.73 56.26 2dao s ARG 39 Cb 0.02 0.13 0.01 0.00 -1.56 0.00 0.00 34.95 33.55 2dao s ARG 39 CO 0.15 -0.09 1.43 0.42 -0.81 0.00 0.00 175.30 176.39 2dao s ILE 40 N 0.64 3.72 0.15 4.11 1.01 -1.17 -3.58 121.20 126.08 2dao s ILE 40 Ca -0.04 0.55 -0.18 0.00 0.00 0.00 0.00 60.65 60.98 2dao s ILE 40 Cb -0.05 -4.51 0.03 0.00 0.01 0.00 0.00 42.46 37.95 2dao s ILE 40 CO -0.04 -1.32 1.69 0.58 0.00 0.00 0.00 174.94 175.85 2dao h VAL 41 N 6.35 0.70 -3.11 2.92 2.07 -0.92 -3.39 116.25 120.88 2dao h VAL 41 Ca -0.27 -0.00 -0.51 0.00 0.82 0.00 0.00 66.70 66.74 2dao h VAL 41 Cb 1.09 0.70 -0.40 0.00 -1.52 0.00 0.00 31.29 31.16 2dao h VAL 41 CO 1.21 0.00 -0.76 -1.81 0.02 0.00 0.00 177.57 176.23 2dao s ASP 42 N -5.21 2.94 0.11 0.57 1.11 -1.02 -5.02 116.67 110.15 2dao s ASP 42 Ca -0.14 -0.91 -0.14 0.00 0.18 0.00 0.00 52.55 51.54 2dao s ASP 42 Cb 0.12 -0.46 -0.08 0.00 1.07 0.00 0.00 42.92 43.57 2dao s ASP 42 CO 0.70 -0.35 1.43 1.55 1.18 0.00 0.00 175.17 179.68 2dao h PRO 43 N 8.31 0.76 -1.00 8.23 0.13 -1.88 0.20 132.00 146.75 2dao h PRO 43 Ca -0.16 -0.40 0.12 0.00 -0.87 0.00 0.00 66.00 64.69 2dao h PRO 43 Cb 1.10 0.01 -0.09 0.00 0.13 0.00 0.00 31.00 32.16 2dao h PRO 43 CO 0.35 1.02 0.63 -0.97 -0.23 0.00 0.00 178.00 178.81 2dao h ASN 44 N 0.52 0.92 0.06 1.44 -0.73 -1.97 -0.76 115.58 115.05 2dao h ASN 44 Ca 0.05 0.05 -0.26 0.00 1.87 0.00 0.00 56.30 58.01 2dao h ASN 44 Cb 0.88 -0.13 -0.02 0.00 0.27 0.00 0.00 38.32 39.32 2dao h ASN 44 CO 0.08 0.48 -1.37 1.23 -0.37 0.00 0.00 177.43 177.47 2dao h GLY 45 N 0.98 0.14 0.02 1.57 0.00 -1.98 -3.33 103.07 100.46 2dao h GLY 45 Ca 0.50 -0.35 0.09 0.00 0.00 0.00 0.00 47.33 47.57 2dao h GLY 45 CO -0.27 0.30 -0.19 -2.00 0.00 0.00 0.00 176.54 174.39 2dao h LEU 46 N -0.60 -0.64 -0.59 3.11 7.12 -0.46 -1.16 115.31 122.09 2dao h LEU 46 Ca -0.33 0.15 0.11 0.00 0.13 0.00 0.00 57.88 57.94 2dao h LEU 46 Cb 1.55 0.35 -0.08 0.00 -0.53 0.00 0.00 40.66 41.96 2dao h LEU 46 CO -0.07 -0.22 0.13 0.00 -0.13 0.00 0.00 178.44 178.15 2dao h ALA 47 N 1.19 0.69 -0.89 1.25 0.00 -1.33 -2.09 119.26 118.09 2dao h ALA 47 Ca 0.20 0.13 0.15 0.00 0.00 0.00 0.00 54.91 55.38 2dao h ALA 47 Cb 0.42 0.17 -0.15 0.00 0.00 0.00 0.00 17.79 18.22 2dao h ALA 47 CO -0.48 -0.30 -0.35 0.00 0.00 0.00 0.00 179.25 178.12 2dao h ARG 48 N 0.26 -0.04 -0.90 0.00 2.47 -1.32 0.68 114.38 115.53 2dao h ARG 48 Ca 0.31 0.00 0.07 0.00 -1.26 0.00 0.00 59.98 59.10 2dao h ARG 48 Cb 0.45 0.01 -0.07 0.00 -1.65 0.00 0.00 29.97 28.71 2dao h ARG 48 CO -0.39 -0.03 0.56 -0.07 0.56 0.00 0.00 179.97 180.60 2dao h LEU 49 N -0.04 0.87 -0.61 3.04 3.38 -1.33 1.16 115.31 121.78 2dao h LEU 49 Ca 0.34 0.02 -0.10 0.00 0.09 0.00 0.00 57.88 58.23 2dao h LEU 49 Cb 0.60 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 2dao h LEU 49 CO -0.91 0.54 -0.02 -0.25 0.09 0.00 0.00 178.44 177.89 2dao h TRP 50 N 0.99 1.17 0.00 1.13 2.91 0.28 -2.60 115.95 119.83 2dao h TRP 50 Ca 0.40 -0.21 0.00 0.00 1.13 0.00 0.00 58.89 60.21 2dao h TRP 50 Cb 0.22 -0.30 0.00 0.00 -0.51 0.00 0.00 29.16 28.57 2dao h TRP 50 CO -0.03 1.04 -0.35 0.78 -1.03 0.00 0.00 178.44 178.86 2dao h GLY 51 N 0.98 0.00 0.37 2.65 0.00 0.47 -3.09 103.07 104.44 2dao h GLY 51 Ca 0.17 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.48 2dao h GLY 51 CO 0.04 0.00 -0.17 -0.57 0.00 0.00 0.00 176.54 175.83 2dao h ASN 52 N 0.00 -0.41 0.60 0.19 -0.73 0.16 0.21 115.58 115.59 2dao h ASN 52 Ca 0.00 -0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 2dao h ASN 52 Cb 0.92 0.11 0.00 0.00 0.27 0.00 0.00 38.32 39.61 2dao h ASN 52 CO 0.00 0.04 0.00 1.12 -0.37 0.00 0.00 177.43 178.22 2dao h HIS 53 N -1.12 0.00 -0.29 0.67 2.07 -1.63 -1.38 115.15 113.47 2dao h HIS 53 Ca -0.05 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.47 2dao h HIS 53 Cb 0.39 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.37 2dao h HIS 53 CO 0.00 0.00 0.00 1.63 -3.07 0.00 0.00 177.93 176.49 2dao n LYS 54 N -2.81 1.71 -2.53 5.12 4.76 -1.17 -4.89 118.16 118.35 2dao n LYS 54 Ca -0.00 -1.11 -0.11 0.00 -2.87 0.00 0.00 58.31 54.22 2dao n LYS 54 Cb 0.20 -1.26 -0.00 0.00 -1.84 0.00 0.00 35.03 32.12 2dao n LYS 54 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 2dao n ASN 55 N 0.39 -3.39 -4.07 4.39 5.15 -0.52 -4.93 115.26 112.28 2dao n ASN 55 Ca 0.11 0.20 -0.21 0.00 -0.60 0.00 0.00 54.58 54.08 2dao n ASN 55 Cb 0.27 -2.90 0.12 0.00 -0.53 0.00 0.00 39.78 36.74 2dao n ASN 55 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 2dao n ARG 56 N -2.83 -0.22 -4.41 1.20 5.12 0.05 -5.05 116.66 110.52 2dao n ARG 56 Ca -0.11 -2.22 -0.21 0.00 -1.93 0.00 0.00 57.85 53.39 2dao n ARG 56 Cb 0.59 -0.68 -0.15 0.00 -1.16 0.00 0.00 32.46 31.05 2dao n ARG 56 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 2dao s THR 57 N -2.78 0.82 -1.57 0.55 2.01 -1.26 -4.78 115.64 108.62 2dao s THR 57 Ca 0.58 -0.38 -0.08 0.00 0.31 0.00 0.00 61.69 62.12 2dao s THR 57 Cb -0.03 -0.72 0.07 0.00 0.01 0.00 0.00 72.50 71.83 2dao s THR 57 CO 0.39 0.25 0.49 0.59 -0.69 0.00 0.00 174.62 175.65 2dao n ASN 58 N 3.28 -1.27 -4.60 3.53 4.13 -1.26 -4.77 115.26 114.29 2dao n ASN 58 Ca -0.18 -1.07 -0.43 0.00 1.68 0.00 0.00 54.58 54.58 2dao n ASN 58 Cb 0.54 -2.60 -0.03 0.00 -1.54 0.00 0.00 39.78 36.16 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 -6.88 3.13 0.17 3.52 -2.45 -1.26 -4.96 119.30 110.57 2dao s MET 59 Ca 0.32 2.03 0.01 0.00 -1.25 0.00 0.00 55.69 56.81 2dao s MET 59 Cb -0.18 -4.37 -0.04 0.00 1.25 0.00 0.00 34.83 31.49 2dao s MET 59 CO 0.93 -2.10 0.33 -0.08 1.05 0.00 0.00 175.02 175.15 2dao s THR 60 N 8.29 5.27 0.39 10.11 -1.32 -1.26 -4.47 115.64 132.65 2dao s THR 60 Ca 1.00 -0.53 0.08 0.00 -1.21 0.00 0.00 61.69 61.03 2dao s THR 60 Cb -0.33 -3.74 0.21 0.00 -1.51 0.00 0.00 72.50 67.13 2dao s THR 60 CO 0.35 -0.13 1.98 0.22 -2.21 0.00 0.00 174.62 174.83 2dao h TYR 61 N 2.09 0.40 0.31 9.09 3.20 -1.93 -2.73 116.97 127.39 2dao h TYR 61 Ca -0.48 -0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.37 2dao h TYR 61 Cb 1.19 -0.12 -0.03 0.00 1.54 0.00 0.00 36.73 39.31 2dao h TYR 61 CO 0.54 0.37 -0.51 0.93 -1.64 0.00 0.00 178.16 177.85 2dao h GLU 62 N 0.39 -0.83 0.00 1.82 5.08 -1.99 0.77 114.58 119.82 2dao h GLU 62 Ca 0.09 0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 2dao h GLU 62 Cb 0.18 0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.62 2dao h GLU 62 CO -0.00 -0.56 0.00 1.63 -1.00 0.00 0.00 179.01 179.08 2dao n LYS 63 N -5.42 0.02 -0.03 2.33 5.02 -1.16 -3.16 118.16 115.76 2dao n LYS 63 Ca -0.10 0.36 -0.00 0.00 -2.02 0.00 0.00 58.31 56.54 2dao n LYS 63 Cb 0.43 -1.55 -0.00 0.00 -0.02 0.00 0.00 35.03 33.89 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 0.00 0.00 0.00 1.97 4.05 -0.66 -3.32 114.93 116.97 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 0.17 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.97 2dao h MET 64 CO 0.00 0.00 0.51 0.66 0.23 0.00 0.00 176.91 178.31 2dao h SER 65 N -0.62 0.00 -0.39 1.39 4.64 -0.92 -0.79 113.55 116.86 2dao h SER 65 Ca 0.00 0.00 0.11 0.00 -0.47 0.00 0.00 61.79 61.43 2dao h SER 65 Cb 0.05 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.12 2dao h SER 65 CO 0.00 0.00 0.69 0.03 -0.87 0.00 0.00 176.83 176.68 2dao h ARG 66 N 0.00 0.00 0.00 4.77 2.47 -1.65 -2.34 114.38 117.63 2dao h ARG 66 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2dao h ARG 66 Cb 1.01 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.33 2dao h ARG 66 CO 0.00 0.00 -0.02 0.00 0.56 0.00 0.00 179.97 180.51 2dao h ALA 67 N 0.99 0.00 -1.15 0.04 0.00 -1.39 -3.32 119.26 114.43 2dao h ALA 67 Ca 0.18 -0.14 0.37 0.00 0.00 0.00 0.00 54.91 55.32 2dao h ALA 67 Cb 1.56 0.02 -0.09 0.00 0.00 0.00 0.00 17.79 19.29 2dao h ALA 67 CO -0.00 0.02 0.78 1.28 0.00 0.00 0.00 179.25 181.33 2dao n LEU 68 N -2.37 0.10 0.18 0.00 7.99 -0.95 0.16 117.00 122.11 2dao n LEU 68 Ca -0.00 0.90 -0.14 0.00 -0.01 0.00 0.00 56.01 56.75 2dao n LEU 68 Cb 0.01 -0.44 -0.08 0.00 -0.11 0.00 0.00 43.42 42.80 2dao n LEU 68 CO 0.01 -0.96 0.64 0.03 -1.51 0.00 0.00 177.39 175.60 2dao h ARG 69 N 0.00 -0.43 -0.94 3.23 2.47 -1.59 -2.28 114.38 114.83 2dao h ARG 69 Ca 0.65 0.03 0.25 0.00 -1.26 0.00 0.00 59.98 59.65 2dao h ARG 69 Cb 2.29 0.10 -0.13 0.00 -1.65 0.00 0.00 29.97 30.57 2dao h ARG 69 CO -0.22 -0.17 0.46 0.45 0.56 0.00 0.00 179.97 181.05 2dao h HIS 70 N -0.64 0.76 -0.52 3.04 3.86 0.14 0.26 115.15 122.05 2dao h HIS 70 Ca -0.05 0.04 -0.09 0.00 -1.16 0.00 0.00 60.37 59.11 2dao h HIS 70 Cb 0.46 -0.18 -0.02 0.00 1.06 0.00 0.00 27.41 28.73 2dao h HIS 70 CO -0.01 -0.08 -0.02 1.88 0.86 0.00 0.00 177.93 180.56 2dao h TYR 71 N 0.39 1.03 -1.41 2.45 -1.99 -1.37 -2.88 116.97 113.19 2dao h TYR 71 Ca 0.62 -0.19 0.43 0.00 2.00 0.00 0.00 58.73 61.60 2dao h TYR 71 Cb 1.26 -0.27 -0.10 0.00 2.00 0.00 0.00 36.73 39.62 2dao h TYR 71 CO -0.09 0.95 0.96 1.88 -0.00 0.00 0.00 178.16 181.86 2dao h TYR 72 N 0.81 0.35 -0.14 4.88 0.05 0.12 1.28 116.97 124.31 2dao h TYR 72 Ca 0.15 0.01 -0.19 0.00 0.05 0.00 0.00 58.73 58.75 2dao h TYR 72 Cb 0.56 -0.09 0.00 0.00 1.01 0.00 0.00 36.73 38.21 2dao h TYR 72 CO 0.04 -0.10 -0.69 0.87 -1.05 0.00 0.00 178.16 177.23 2dao h LYS 73 N 0.09 0.60 0.00 4.88 1.79 -1.47 -2.85 116.57 119.61 2dao h LYS 73 Ca 0.78 -0.46 0.00 0.00 -2.18 0.00 0.00 60.65 58.79 2dao h LYS 73 Cb 2.67 0.08 0.00 0.00 -1.58 0.00 0.00 32.23 33.41 2dao h LYS 73 CO -0.26 1.08 0.00 1.28 -1.08 0.00 0.00 179.45 180.47 2dao n LEU 74 N -3.91 0.00 -2.55 2.94 4.77 0.43 -4.86 117.00 113.83 2dao n LEU 74 Ca -0.05 0.22 -0.12 0.00 -0.03 0.00 0.00 56.01 56.03 2dao n LEU 74 Cb 0.69 -0.22 0.06 0.00 -2.33 0.00 0.00 43.42 41.62 2dao n LEU 74 CO 0.50 -0.10 0.10 -3.20 -1.33 0.00 0.00 177.39 173.35 2dao n ASN 75 N -1.22 -2.93 -0.05 -1.43 2.85 -0.93 -4.96 115.26 106.59 2dao n ASN 75 Ca 0.09 -0.38 -0.08 0.00 -0.11 0.00 0.00 54.58 54.09 2dao n ASN 75 Cb 0.11 -3.47 -0.05 0.00 1.24 0.00 0.00 39.78 37.62 2dao n ASN 75 CO 0.00 0.00 0.00 -0.38 -2.11 0.00 0.00 177.26 174.77 2dao n ILE 76 N -3.37 0.61 -4.47 -1.44 5.41 -1.23 -4.61 119.36 110.26 2dao n ILE 76 Ca -0.12 -0.22 -0.25 0.00 1.00 0.00 0.00 62.75 63.16 2dao n ILE 76 Cb 0.59 -1.05 -0.13 0.00 -0.71 0.00 0.00 39.64 38.34 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 -2.21 1.67 -0.10 1.39 1.01 -1.26 -1.88 121.20 119.82 2dao s ILE 77 Ca -0.15 -1.35 0.03 0.00 0.00 0.00 0.00 60.65 59.19 2dao s ILE 77 Cb 0.04 -1.48 0.01 0.00 0.01 0.00 0.00 42.46 41.04 2dao s ILE 77 CO 0.23 0.08 -0.19 -0.60 0.00 0.00 0.00 174.94 174.46 2dao s ARG 78 N -1.51 2.57 -0.46 2.79 3.52 -0.34 -4.30 118.95 121.22 2dao s ARG 78 Ca 0.07 -0.71 -0.17 0.00 -0.13 0.00 0.00 55.73 54.79 2dao s ARG 78 Cb -0.09 -2.02 0.05 0.00 -1.56 0.00 0.00 34.95 31.32 2dao s ARG 78 CO 0.03 0.08 0.46 0.21 -0.81 0.00 0.00 175.30 175.26 2dao s LYS 79 N 0.58 3.05 0.26 5.12 2.20 -1.26 -1.05 119.74 128.64 2dao s LYS 79 Ca -0.14 -1.02 -0.29 0.00 -0.36 0.00 0.00 55.97 54.15 2dao s LYS 79 Cb -0.17 -4.06 -0.14 0.00 -1.51 0.00 0.00 37.83 31.95 2dao s LYS 79 CO 0.05 -1.00 1.09 0.39 -0.36 0.00 0.00 175.35 175.52 2dao n GLU 80 N 5.56 1.39 0.00 4.03 -0.58 -1.22 -4.92 120.64 124.91 2dao n GLU 80 Ca -0.09 0.49 -0.13 0.00 -0.42 0.00 0.00 57.16 57.01 2dao n GLU 80 Cb 0.46 -1.92 -0.10 0.00 -0.57 0.00 0.00 31.44 29.31 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 2.51 -0.04 0.00 3.49 0.13 -1.96 -3.37 132.00 132.76 2dao h PRO 81 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 2dao h PRO 81 Cb 1.33 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.47 2dao h PRO 81 CO 0.64 0.44 0.00 0.41 -0.23 0.00 0.00 178.00 179.26 2dao n GLY 82 N 0.22 -2.62 2.47 1.56 0.00 -1.26 -4.75 105.19 100.81 2dao n GLY 82 Ca -0.08 0.13 -0.13 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.14 -1.39 -0.02 1.61 1.13 -1.26 -5.01 117.38 110.31 2dao n GLN 83 Ca 0.00 -0.64 -0.04 0.00 -1.94 0.00 0.00 57.00 54.38 2dao n GLN 83 Cb 0.00 -1.22 -0.01 0.00 0.11 0.00 0.00 30.24 29.11 2dao n GLN 83 CO 0.00 0.00 0.00 2.89 -1.44 0.00 0.00 177.06 178.51 2dao n ARG 84 N -1.56 0.09 -2.26 -1.09 1.85 -1.26 -4.81 116.66 107.62 2dao n ARG 84 Ca 0.06 0.04 -0.30 0.00 -1.00 0.00 0.00 57.85 56.65 2dao n ARG 84 Cb 0.26 -0.66 0.01 0.00 -1.05 0.00 0.00 32.46 31.03 2dao n ARG 84 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 2dao n LEU 85 N -3.27 5.51 -4.64 2.89 4.32 -1.26 -5.01 117.00 115.54 2dao n LEU 85 Ca -0.08 -5.05 -0.35 0.00 -0.02 0.00 0.00 56.01 50.52 2dao n LEU 85 Cb 0.49 -0.61 -0.10 0.00 -1.62 0.00 0.00 43.42 41.58 2dao n LEU 85 CO 0.01 2.08 -0.28 -0.22 -1.22 0.00 0.00 177.39 177.77 2dao s LEU 86 N -3.68 3.69 -0.05 2.23 1.98 -1.26 -3.06 118.68 118.52 2dao s LEU 86 Ca 0.50 0.09 0.01 0.00 -2.89 0.00 0.00 54.13 51.84 2dao s LEU 86 Cb 0.41 -1.90 0.02 0.00 0.66 0.00 0.00 46.19 45.38 2dao s LEU 86 CO -0.21 0.24 -0.07 -0.36 -1.89 0.00 0.00 176.35 174.06 2dao s PHE 87 N -0.05 0.98 -0.19 5.38 0.08 -0.78 -3.39 117.98 120.01 2dao s PHE 87 Ca 0.05 -0.32 -0.01 0.00 0.12 0.00 0.00 56.93 56.77 2dao s PHE 87 Cb -0.12 -0.80 0.00 0.00 -0.57 0.00 0.00 43.02 41.53 2dao s PHE 87 CO 0.01 -0.22 -0.12 0.50 -0.10 0.00 0.00 175.22 175.29 2dao s ARG 88 N 0.85 3.23 -1.02 0.44 3.52 -0.21 -1.41 118.95 124.34 2dao s ARG 88 Ca -0.12 -0.72 -0.23 0.00 -0.13 0.00 0.00 55.73 54.54 2dao s ARG 88 Cb -0.15 -2.78 0.05 0.00 -1.56 0.00 0.00 34.95 30.52 2dao s ARG 88 CO 0.01 -0.14 1.45 -0.06 -0.81 0.00 0.00 175.30 175.75 2dao s PHE 89 N 1.23 2.55 0.02 5.12 0.08 -1.11 -1.19 117.98 124.68 2dao s PHE 89 Ca 0.03 -0.87 -0.12 0.00 0.12 0.00 0.00 56.93 56.09 2dao s PHE 89 Cb -0.14 -4.69 -0.06 0.00 -0.57 0.00 0.00 43.02 37.56 2dao s PHE 89 CO -0.05 -1.92 1.18 0.52 -0.10 0.00 0.00 175.22 174.84 2dao h MET 90 N 9.72 -0.38 -6.28 0.44 2.86 -1.69 -3.44 114.93 116.16 2dao h MET 90 Ca 0.20 0.03 -0.54 0.00 -2.06 0.00 0.00 59.70 57.33 2dao h MET 90 Cb 1.01 0.09 -0.02 0.00 0.06 0.00 0.00 31.60 32.73 2dao h MET 90 CO 1.42 -0.25 -0.29 0.21 1.06 0.00 0.00 176.91 179.06 2dao s LYS 91 N -3.92 3.56 0.32 1.72 2.47 -1.17 -5.05 119.74 117.67 2dao s LYS 91 Ca -0.06 -0.23 -0.29 0.00 -1.56 0.00 0.00 55.97 53.83 2dao s LYS 91 Cb 0.01 -2.79 -0.11 0.00 -1.46 0.00 0.00 37.83 33.48 2dao s LYS 91 CO 0.19 0.36 1.49 0.99 0.16 0.00 0.00 175.35 178.54 2dao s THR 92 N -1.90 2.27 0.10 3.43 2.01 -1.26 -4.93 115.64 115.36 2dao s THR 92 Ca 0.40 0.24 -0.15 0.00 0.31 0.00 0.00 61.69 62.50 2dao s THR 92 Cb -0.11 -3.16 -0.08 0.00 0.01 0.00 0.00 72.50 69.16 2dao s THR 92 CO 0.29 0.05 1.42 1.55 -0.69 0.00 0.00 174.62 177.24 2dao h PRO 93 N 4.02 0.71 0.00 4.92 0.13 -1.96 -2.86 132.00 136.96 2dao h PRO 93 Ca -0.48 -0.37 0.00 0.00 -0.87 0.00 0.00 66.00 64.27 2dao h PRO 93 Cb 1.23 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2dao h PRO 93 CO 0.72 0.99 0.00 -0.25 -0.23 0.00 0.00 178.00 179.22 2dao n ASP 94 N -4.26 0.36 0.12 1.44 9.92 -1.26 -1.79 116.55 121.08 2dao n ASP 94 Ca -0.04 0.63 -0.02 0.00 -0.53 0.00 0.00 54.79 54.84 2dao n ASP 94 Cb 0.47 -0.69 0.21 0.00 -0.64 0.00 0.00 41.12 40.47 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 0.00 0.11 -0.22 -1.24 4.22 -1.89 -3.10 114.58 112.46 2dao h GLU 95 Ca 0.00 -0.06 -0.10 0.00 0.08 0.00 0.00 59.36 59.27 2dao h GLU 95 Cb 0.14 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.34 2dao h GLU 95 CO 0.00 0.60 -0.18 -0.89 -2.18 0.00 0.00 179.01 176.37 2dao n ILE 96 N -3.93 2.39 -2.97 2.32 -0.00 -0.74 -4.94 119.36 111.49 2dao n ILE 96 Ca -0.02 -2.77 -0.44 0.00 -0.00 0.00 0.00 62.75 59.53 2dao n ILE 96 Cb 0.54 -0.29 -0.03 0.00 -0.00 0.00 0.00 39.64 39.86 2dao n ILE 96 CO 0.00 0.00 0.00 -0.04 -0.00 0.00 0.00 176.55 176.51 2dao s MET 97 N -3.18 3.38 0.28 0.38 -1.94 -1.16 -4.94 119.30 112.11 2dao s MET 97 Ca 0.42 -1.50 -0.20 0.00 -1.71 0.00 0.00 55.69 52.70 2dao s MET 97 Cb 0.38 -4.60 0.02 0.00 2.01 0.00 0.00 34.83 32.64 2dao s MET 97 CO -0.01 -1.71 0.69 -1.12 -0.01 0.00 0.00 175.02 172.86 2dao s SER 98 N 3.54 -0.22 -0.29 3.03 0.01 -1.26 -5.05 113.70 113.46 2dao s SER 98 Ca 0.25 -0.67 0.04 0.00 1.31 0.00 0.00 55.95 56.88 2dao s SER 98 Cb -0.11 0.71 0.19 0.00 0.21 0.00 0.00 66.02 67.02 2dao s SER 98 CO -0.02 -1.33 0.55 -0.83 0.41 0.00 0.00 173.24 172.02 2dao s GLY 99 N -2.94 -1.07 0.11 3.44 0.00 -1.26 -4.62 107.32 100.99 2dao s GLY 99 Ca 0.13 1.08 0.00 0.00 0.00 0.00 0.00 44.72 45.93 2dao s GLY 99 CO 0.07 3.48 0.00 -2.13 0.00 0.00 0.00 173.10 174.53 2dao n ARG 100 N 5.41 0.00 -3.69 2.90 0.63 -1.26 -5.08 116.66 115.57 2dao n ARG 100 Ca 0.03 0.00 -0.10 0.00 -0.92 0.00 0.00 57.85 56.85 2dao n ARG 100 Cb 0.52 -0.18 -0.10 0.00 0.45 0.00 0.00 32.46 33.15 2dao n ARG 100 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 2dao s THR 101 N -1.62 -0.02 -1.39 5.15 2.01 -1.26 -4.90 115.64 113.61 2dao s THR 101 Ca 0.00 0.07 -0.13 0.00 0.31 0.00 0.00 61.69 61.94 2dao s THR 101 Cb 0.00 -0.67 0.11 0.00 0.01 0.00 0.00 72.50 71.95 2dao s THR 101 CO 0.00 0.03 0.58 -0.67 -0.69 0.00 0.00 174.62 173.87 2dao n ASP 102 N 4.11 -3.41 -4.93 3.53 2.03 -1.26 -4.93 116.55 111.69 2dao n ASP 102 Ca -0.22 -0.60 -0.25 0.00 0.52 0.00 0.00 54.79 54.25 2dao n ASP 102 Cb 0.56 -2.82 0.02 0.00 -0.72 0.00 0.00 41.12 38.16 2dao n ASP 102 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 2dao s ARG 103 N -6.33 3.04 0.29 -0.67 1.81 -1.26 -4.92 118.95 110.90 2dao s ARG 103 Ca 0.52 -0.21 0.09 0.00 -1.72 0.00 0.00 55.73 54.41 2dao s ARG 103 Cb -0.28 -2.41 0.89 0.00 -0.45 0.00 0.00 34.95 32.70 2dao s ARG 103 CO 0.64 -0.46 1.37 -0.11 -0.68 0.00 0.00 175.30 176.06 2dao n LEU 104 N -2.33 0.08 -0.38 2.53 -0.00 -1.26 0.05 117.00 115.69 2dao n LEU 104 Ca 0.03 1.46 -0.02 0.00 -0.00 0.00 0.00 56.01 57.49 2dao n LEU 104 Cb 0.57 -0.61 0.03 0.00 -0.00 0.00 0.00 43.42 43.41 2dao n LEU 104 CO 0.50 -1.55 0.57 -0.62 -0.00 0.00 0.00 177.39 176.29 2dao n GLU 105 N -5.13 -0.24 -0.26 1.96 -0.58 -1.26 0.66 120.64 115.78 2dao n GLU 105 Ca 0.26 1.52 0.25 0.00 -0.42 0.00 0.00 57.16 58.77 2dao n GLU 105 Cb 0.87 -2.25 0.46 0.00 -0.57 0.00 0.00 31.44 29.95 2dao n GLU 105 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 2dao n HIS 106 N -5.44 0.92 -0.13 -0.32 8.25 0.11 0.23 115.22 118.83 2dao n HIS 106 Ca 0.10 0.96 -0.04 0.00 -0.26 0.00 0.00 57.72 58.48 2dao n HIS 106 Cb 0.39 -1.36 0.02 0.00 1.12 0.00 0.00 29.99 30.16 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 -4.87 4.89 -0.04 2.41 4.77 0.21 -3.89 117.00 120.48 2dao n LEU 107 Ca 0.30 -2.35 -0.16 0.00 -0.03 0.00 0.00 56.01 53.76 2dao n LEU 107 Cb 1.02 -0.90 -0.14 0.00 -2.33 0.00 0.00 43.42 41.07 2dao n LEU 107 CO 0.00 0.89 -0.86 -1.84 -1.33 0.00 0.00 177.39 174.25 2dao n GLU 108 N 0.82 0.70 -1.38 3.23 -0.00 0.62 -4.48 120.64 120.14 2dao n GLU 108 Ca 0.09 0.22 0.00 0.00 -0.00 0.00 0.00 57.16 57.47 2dao n GLU 108 Cb 0.58 -1.68 0.10 0.00 -0.00 0.00 0.00 31.44 30.44 2dao n GLU 108 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 2dao n SER 109 N -3.25 1.95 -0.04 -1.84 3.41 -1.25 -4.71 113.62 107.89 2dao n SER 109 Ca -0.30 -3.03 -0.05 0.00 -0.26 0.00 0.00 58.87 55.23 2dao n SER 109 Cb 1.05 -0.42 -0.02 0.00 -0.26 0.00 0.00 64.21 64.57 2dao n SER 109 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 2dao n GLN 110 N -0.47 0.27 -0.74 4.33 7.27 -1.26 -4.61 117.38 122.17 2dao n GLN 110 Ca 0.17 0.11 -0.08 0.00 0.07 0.00 0.00 57.00 57.27 2dao n GLN 110 Cb 0.90 -0.94 -0.11 0.00 2.41 0.00 0.00 30.24 32.50 2dao n GLN 110 CO 0.00 0.00 0.00 -0.85 0.07 0.00 0.00 177.06 176.28 2dao n GLU 111 N -3.61 1.47 0.00 3.69 -0.00 -1.26 -3.43 120.64 117.51 2dao n GLU 111 Ca -0.07 -0.66 0.00 0.00 -0.00 0.00 0.00 57.16 56.43 2dao n GLU 111 Cb 0.26 -1.76 0.00 0.00 -0.00 0.00 0.00 31.44 29.95 2dao n GLU 111 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 2dao n LEU 112 N 2.41 0.87 -3.62 -1.84 4.77 -1.26 -4.80 117.00 113.52 2dao n LEU 112 Ca 0.28 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 56.21 2dao n LEU 112 Cb 0.68 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.72 2dao n LEU 112 CO 0.12 0.05 1.00 -0.44 -1.33 0.00 0.00 177.39 176.79 2dao s SER 113 N -4.44 -0.19 0.00 -1.43 0.01 -1.22 -5.09 113.70 101.34 2dao s SER 113 Ca 0.00 0.25 0.00 0.00 1.31 0.00 0.00 55.95 57.51 2dao s SER 113 Cb 0.00 0.22 0.00 0.00 0.21 0.00 0.00 66.02 66.45 2dao s SER 113 CO 0.00 -0.14 0.00 0.61 0.41 0.00 0.00 173.24 174.12 2dao n GLY 114 N 0.97 2.94 3.68 3.44 0.00 -1.26 -4.89 105.19 110.07 2dao n GLY 114 Ca -0.06 -1.59 -0.29 0.00 0.00 0.00 0.00 46.02 44.08 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 -4.79 0.41 0.02 1.61 0.04 -1.26 -4.98 135.00 126.04 2dao s PRO 115 Ca 0.00 0.51 0.23 0.00 0.04 0.00 0.00 61.00 61.78 2dao s PRO 115 Cb 0.00 -1.73 0.05 0.00 0.04 0.00 0.00 34.50 32.86 2dao s PRO 115 CO 0.00 -2.75 1.06 -1.13 0.04 0.00 0.00 177.00 174.22 2dao n SER 116 N -4.19 0.69 -4.30 6.66 3.41 -1.26 -4.96 113.62 109.66 2dao n SER 116 Ca 0.05 -0.47 -0.36 0.00 -0.26 0.00 0.00 58.87 57.83 2dao n SER 116 Cb 0.57 0.78 -0.08 0.00 -0.26 0.00 0.00 64.21 65.22 2dao n SER 116 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2dao n SER 117 N -1.71 -0.56 -0.63 4.04 7.64 -1.26 -5.32 113.62 115.81 2dao n SER 117 Ca 0.03 -1.19 0.13 0.00 1.01 0.00 0.00 58.87 58.86 2dao n SER 117 Cb 0.38 -1.50 0.39 0.00 -1.01 0.00 0.00 64.21 62.47 2dao n SER 117 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64