#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 1.33 -0.22 1.61 0.01 -1.26 -5.13 113.70 110.05 2dao s SER 2 Ca 0.00 -0.06 -0.05 0.00 1.31 0.00 0.00 55.95 57.14 2dao s SER 2 Cb 0.00 -0.38 -0.02 0.00 0.21 0.00 0.00 66.02 65.83 2dao s SER 2 CO 0.00 -0.17 0.01 -0.55 0.41 0.00 0.00 173.24 172.94 2dao s SER 3 N 1.77 4.80 0.21 2.44 0.15 -1.26 -5.09 113.70 116.72 2dao s SER 3 Ca 0.02 -0.25 -0.00 0.00 0.70 0.00 0.00 55.95 56.42 2dao s SER 3 Cb -0.13 -1.84 -0.04 0.00 -1.71 0.00 0.00 66.02 62.30 2dao s SER 3 CO -0.04 0.01 0.10 -0.83 1.20 0.00 0.00 173.24 173.69 2dao s GLY 4 N 1.30 1.47 -0.30 9.45 0.00 -1.26 -5.07 107.32 112.91 2dao s GLY 4 Ca 0.04 -1.72 0.14 0.00 0.00 0.00 0.00 44.72 43.18 2dao s GLY 4 CO 0.01 -1.47 1.12 -1.26 0.00 0.00 0.00 173.10 171.51 2dao n SER 5 N -0.31 3.24 -4.14 1.64 2.88 -1.26 -4.99 113.62 110.68 2dao n SER 5 Ca -0.00 -2.98 -0.38 0.00 -1.33 0.00 0.00 58.87 54.18 2dao n SER 5 Cb 0.66 -0.43 -0.09 0.00 -0.75 0.00 0.00 64.21 63.60 2dao n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2dao s SER 6 N -3.62 5.50 0.00 -3.46 0.01 -1.26 -4.72 113.70 106.16 2dao s SER 6 Ca 0.39 -2.60 0.00 0.00 1.31 0.00 0.00 55.95 55.05 2dao s SER 6 Cb 0.38 -1.92 0.00 0.00 0.21 0.00 0.00 66.02 64.69 2dao s SER 6 CO -0.02 -0.46 0.00 0.61 0.41 0.00 0.00 173.24 173.78 2dao n GLY 7 N 3.88 0.00 1.88 3.44 0.00 -1.26 -5.02 105.19 108.11 2dao n GLY 7 Ca 0.05 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.94 2dao n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dao h ARG 9 N 1.72 0.01 -6.26 0.00 3.08 -2.00 -3.41 114.38 107.52 2dao h ARG 9 Ca 0.21 -0.00 -0.48 0.00 0.07 0.00 0.00 59.98 59.78 2dao h ARG 9 Cb 0.98 -0.00 0.25 0.00 0.08 0.00 0.00 29.97 31.28 2dao h ARG 9 CO 0.50 0.38 -2.09 1.28 -1.07 0.00 0.00 179.97 178.97 2dao n LEU 10 N -4.90 -2.79 -0.01 3.04 4.77 -1.26 -4.89 117.00 110.96 2dao n LEU 10 Ca -0.08 -0.05 -0.01 0.00 -0.03 0.00 0.00 56.01 55.85 2dao n LEU 10 Cb 0.20 -0.68 -0.00 0.00 -2.33 0.00 0.00 43.42 40.61 2dao n LEU 10 CO 0.34 -2.78 -0.06 -0.11 -1.33 0.00 0.00 177.39 173.45 2dao n LEU 11 N 1.49 0.22 -0.20 2.23 7.94 -1.26 -3.52 117.00 123.90 2dao n LEU 11 Ca -0.01 0.21 0.18 0.00 -1.11 0.00 0.00 56.01 55.28 2dao n LEU 11 Cb 0.70 -0.54 0.33 0.00 0.53 0.00 0.00 43.42 44.45 2dao n LEU 11 CO 0.47 -0.49 0.63 -2.67 -1.11 0.00 0.00 177.39 174.22 2dao n TRP 12 N -2.61 0.67 -0.03 1.96 4.27 -1.26 0.23 117.44 120.67 2dao n TRP 12 Ca -0.01 0.75 -0.13 0.00 -3.89 0.00 0.00 57.50 54.21 2dao n TRP 12 Cb 0.04 -1.14 -0.09 0.00 -1.36 0.00 0.00 31.31 28.76 2dao n TRP 12 CO 0.00 0.00 0.00 0.38 -2.29 0.00 0.00 177.69 175.78 2dao h ASP 13 N 0.00 0.15 -1.12 -0.67 3.04 -1.95 -3.10 116.42 112.77 2dao h ASP 13 Ca 0.50 -0.55 0.32 0.00 -3.24 0.00 0.00 57.03 54.07 2dao h ASP 13 Cb 1.29 -0.04 -0.04 0.00 -1.04 0.00 0.00 39.33 39.49 2dao h ASP 13 CO -0.51 0.67 1.21 0.00 -2.04 0.00 0.00 179.24 178.58 2dao n TYR 14 N -4.70 0.00 0.04 4.15 9.36 0.62 -1.06 117.16 125.57 2dao n TYR 14 Ca -0.08 0.00 -0.02 0.00 3.32 0.00 0.00 57.90 61.12 2dao n TYR 14 Cb 0.33 -0.28 -0.01 0.00 -0.63 0.00 0.00 39.34 38.75 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 -0.79 2.97 2.07 -1.44 -3.11 116.25 115.95 2dao h VAL 15 Ca 0.53 0.00 0.09 0.00 0.82 0.00 0.00 66.70 68.14 2dao h VAL 15 Cb 2.95 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 32.61 2dao h VAL 15 CO -0.01 0.00 -0.42 0.00 0.02 0.00 0.00 177.57 177.16 2dao n TYR 16 N -2.60 -0.25 -0.25 1.57 9.36 -0.23 0.11 117.16 124.88 2dao n TYR 16 Ca -0.02 0.98 0.17 0.00 3.32 0.00 0.00 57.90 62.36 2dao n TYR 16 Cb 0.06 -0.63 0.32 0.00 -0.63 0.00 0.00 39.34 38.46 2dao n TYR 16 CO 0.00 0.00 0.00 1.04 0.22 0.00 0.00 176.86 178.12 2dao n GLN 17 N -5.03 -0.05 0.14 2.98 1.13 -1.18 -0.00 117.38 115.36 2dao n GLN 17 Ca 0.03 1.09 -0.09 0.00 -1.94 0.00 0.00 57.00 56.09 2dao n GLN 17 Cb 0.24 -1.83 -0.05 0.00 0.11 0.00 0.00 30.24 28.71 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 -0.37 -0.82 1.08 3.38 0.78 -3.23 115.31 116.12 2dao h LEU 18 Ca 0.54 -0.11 0.15 0.00 0.09 0.00 0.00 57.88 58.55 2dao h LEU 18 Cb 1.27 0.10 -0.15 0.00 0.09 0.00 0.00 40.66 41.96 2dao h LEU 18 CO -0.65 0.09 -0.28 -0.07 0.09 0.00 0.00 178.44 177.62 2dao h LEU 19 N -1.04 -1.01 -0.92 1.67 -0.00 -0.03 0.49 115.31 114.48 2dao h LEU 19 Ca -0.04 0.26 0.22 0.00 -0.00 0.00 0.00 57.88 58.32 2dao h LEU 19 Cb 0.46 0.59 -0.12 0.00 -0.00 0.00 0.00 40.66 41.58 2dao h LEU 19 CO 0.07 -0.29 0.43 -1.28 -0.00 0.00 0.00 178.44 177.38 2dao h SER 20 N -0.04 0.40 -3.51 -0.43 0.87 -1.06 -3.36 113.55 106.43 2dao h SER 20 Ca 0.36 0.15 -0.62 0.00 -1.23 0.00 0.00 61.79 60.45 2dao h SER 20 Cb 0.60 0.11 -0.12 0.00 -0.44 0.00 0.00 62.40 62.55 2dao h SER 20 CO -0.86 0.02 0.27 -1.81 -0.53 0.00 0.00 176.83 173.93 2dao s ASP 21 N -5.19 6.54 0.45 6.23 1.11 0.17 -4.93 116.67 121.06 2dao s ASP 21 Ca -0.11 0.41 0.16 0.00 0.18 0.00 0.00 52.55 53.19 2dao s ASP 21 Cb 0.26 -2.37 1.04 0.00 1.07 0.00 0.00 42.92 42.92 2dao s ASP 21 CO 0.78 -0.60 1.98 0.77 1.18 0.00 0.00 175.17 179.28 2dao h SER 22 N 8.30 0.00 0.00 0.27 4.64 -1.77 -2.12 113.55 122.88 2dao h SER 22 Ca -0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 2dao h SER 22 Cb 1.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 2dao h SER 22 CO 0.86 0.20 0.22 0.03 -0.87 0.00 0.00 176.83 177.27 2dao h ARG 23 N 0.00 0.00 -0.72 4.77 -0.00 -1.91 0.15 114.38 116.66 2dao h ARG 23 Ca -0.00 0.00 -0.45 0.00 -0.50 0.00 0.00 59.98 59.02 2dao h ARG 23 Cb 0.37 0.00 -0.26 0.00 0.00 0.00 0.00 29.97 30.08 2dao h ARG 23 CO 0.03 0.00 0.15 0.66 0.00 0.00 0.00 179.97 180.81 2dao n TYR 24 N -2.73 2.36 0.01 3.04 4.02 -0.80 -4.67 117.16 118.39 2dao n TYR 24 Ca -0.02 -2.17 -0.06 0.00 -0.01 0.00 0.00 57.90 55.63 2dao n TYR 24 Cb 0.27 -0.81 -0.05 0.00 -0.02 0.00 0.00 39.34 38.73 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 1.52 -0.13 -1.08 -0.72 5.08 -0.76 -2.04 114.58 116.45 2dao h GLU 25 Ca 0.43 0.01 0.37 0.00 -1.00 0.00 0.00 59.36 59.17 2dao h GLU 25 Cb 1.62 0.03 -0.15 0.00 0.50 0.00 0.00 28.75 30.75 2dao h GLU 25 CO 0.92 0.19 0.63 -0.91 -1.00 0.00 0.00 179.01 178.85 2dao h ASN 26 N -0.99 0.40 0.54 1.42 2.35 -1.83 0.71 115.58 118.19 2dao h ASN 26 Ca -0.01 0.19 -0.29 0.00 -0.55 0.00 0.00 56.30 55.64 2dao h ASN 26 Cb 0.38 0.16 0.01 0.00 0.05 0.00 0.00 38.32 38.92 2dao h ASN 26 CO 0.02 -0.21 -1.30 -0.26 -1.65 0.00 0.00 177.43 174.03 2dao h PHE 27 N 0.19 0.62 -1.81 1.19 0.04 -1.90 -3.40 116.94 111.86 2dao h PHE 27 Ca 0.78 -0.45 0.07 0.00 2.80 0.00 0.00 57.97 61.16 2dao h PHE 27 Cb 2.02 -0.02 -0.23 0.00 2.20 0.00 0.00 35.95 39.92 2dao h PHE 27 CO -0.01 1.35 0.10 -1.50 -0.60 0.00 0.00 178.31 177.65 2dao s ILE 28 N -2.64 -0.22 0.29 -0.55 2.07 0.25 -1.02 121.20 119.38 2dao s ILE 28 Ca -0.05 0.00 0.03 0.00 -1.41 0.00 0.00 60.65 59.22 2dao s ILE 28 Cb 0.06 -1.00 -0.06 0.00 0.13 0.00 0.00 42.46 41.59 2dao s ILE 28 CO 0.90 0.00 0.06 0.00 -1.91 0.00 0.00 174.94 173.99 2dao s ARG 29 N 1.86 1.55 -0.33 3.50 1.70 -1.17 -3.61 118.95 122.44 2dao s ARG 29 Ca -0.08 -1.84 -0.28 0.00 -0.47 0.00 0.00 55.73 53.05 2dao s ARG 29 Cb -0.06 -0.66 0.02 0.00 -0.57 0.00 0.00 34.95 33.67 2dao s ARG 29 CO -0.18 -0.21 1.03 -1.58 -1.08 0.00 0.00 175.30 173.27 2dao s TRP 30 N -3.45 3.14 -0.08 5.89 0.52 -1.26 -3.21 118.94 120.49 2dao s TRP 30 Ca 0.36 1.09 -0.19 0.00 0.02 0.00 0.00 56.10 57.39 2dao s TRP 30 Cb 0.08 -3.65 -0.15 0.00 -1.15 0.00 0.00 33.47 28.60 2dao s TRP 30 CO 0.14 -0.76 0.68 0.93 0.02 0.00 0.00 176.95 177.96 2dao h GLU 31 N 8.16 -0.12 -2.86 4.98 4.39 0.12 -3.42 114.58 125.82 2dao h GLU 31 Ca -0.21 0.01 -0.60 0.00 0.34 0.00 0.00 59.36 58.89 2dao h GLU 31 Cb 1.07 0.03 -0.40 0.00 -0.10 0.00 0.00 28.75 29.35 2dao h GLU 31 CO 1.01 0.35 -0.77 0.34 -1.16 0.00 0.00 179.01 178.78 2dao s ASP 32 N -5.65 3.38 0.46 1.42 2.15 0.06 -4.95 116.67 113.54 2dao s ASP 32 Ca -0.12 -2.66 0.20 0.00 0.43 0.00 0.00 52.55 50.40 2dao s ASP 32 Cb -0.00 -0.90 1.17 0.00 -0.30 0.00 0.00 42.92 42.89 2dao s ASP 32 CO 0.43 -0.25 1.91 0.11 -0.17 0.00 0.00 175.17 177.20 2dao h LYS 33 N 6.60 0.28 -0.97 4.34 1.79 -1.82 0.21 116.57 126.99 2dao h LYS 33 Ca 0.04 -0.02 0.03 0.00 -2.18 0.00 0.00 60.65 58.52 2dao h LYS 33 Cb 0.92 -0.06 -0.05 0.00 -1.58 0.00 0.00 32.23 31.45 2dao h LYS 33 CO 0.45 0.19 0.64 1.05 -1.08 0.00 0.00 179.45 180.69 2dao h GLU 34 N 0.29 1.21 -0.38 3.15 4.11 -1.96 -2.74 114.58 118.27 2dao h GLU 34 Ca 0.38 -0.07 -0.25 0.00 0.07 0.00 0.00 59.36 59.48 2dao h GLU 34 Cb 1.06 -0.27 -0.17 0.00 0.50 0.00 0.00 28.75 29.86 2dao h GLU 34 CO -0.10 0.80 -0.41 0.43 0.07 0.00 0.00 179.01 179.81 2dao n SER 35 N -4.45 3.20 -3.99 3.06 7.64 0.03 -4.96 113.62 114.15 2dao n SER 35 Ca 0.13 -3.83 -0.26 0.00 1.01 0.00 0.00 58.87 55.92 2dao n SER 35 Cb 0.07 -0.53 -0.07 0.00 -1.01 0.00 0.00 64.21 62.67 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 -0.99 -0.91 -3.46 1.43 5.02 0.35 -4.27 118.16 115.33 2dao n LYS 36 Ca 0.33 0.06 -0.38 0.00 -2.02 0.00 0.00 58.31 56.30 2dao n LYS 36 Cb 0.87 -2.84 -0.09 0.00 -0.02 0.00 0.00 35.03 32.95 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 -4.11 5.23 0.25 -0.18 1.01 0.45 -2.81 121.20 121.04 2dao s ILE 37 Ca 0.03 0.52 0.11 0.00 0.00 0.00 0.00 60.65 61.31 2dao s ILE 37 Cb -0.02 -3.66 -0.05 0.00 0.01 0.00 0.00 42.46 38.75 2dao s ILE 37 CO 0.81 0.24 -0.20 0.72 0.00 0.00 0.00 174.94 176.51 2dao s PHE 38 N 1.56 2.18 -0.11 3.97 -0.71 -0.93 0.16 117.98 124.09 2dao s PHE 38 Ca 0.15 -0.38 -0.04 0.00 -1.04 0.00 0.00 56.93 55.61 2dao s PHE 38 Cb -0.15 -0.99 0.06 0.00 -1.21 0.00 0.00 43.02 40.73 2dao s PHE 38 CO 0.08 0.60 0.23 0.50 -1.34 0.00 0.00 175.22 175.30 2dao s ARG 39 N -3.32 0.13 -0.79 1.99 3.52 -1.20 -2.21 118.95 117.08 2dao s ARG 39 Ca 0.26 0.66 -0.25 0.00 -0.13 0.00 0.00 55.73 56.27 2dao s ARG 39 Cb -0.05 -0.11 -0.08 0.00 -1.56 0.00 0.00 34.95 33.16 2dao s ARG 39 CO 0.12 -0.26 2.15 0.42 -0.81 0.00 0.00 175.30 176.92 2dao s ILE 40 N 2.14 3.24 0.33 4.11 1.01 -1.18 -3.80 121.20 127.05 2dao s ILE 40 Ca -0.01 -0.14 0.08 0.00 0.00 0.00 0.00 60.65 60.59 2dao s ILE 40 Cb -0.12 -3.55 0.38 0.00 0.01 0.00 0.00 42.46 39.19 2dao s ILE 40 CO -0.08 -0.52 1.59 0.58 0.00 0.00 0.00 174.94 176.51 2dao h VAL 41 N 7.41 0.06 -2.52 2.92 2.07 -1.33 -3.36 116.25 121.50 2dao h VAL 41 Ca -0.01 -0.01 -0.21 0.00 0.82 0.00 0.00 66.70 67.28 2dao h VAL 41 Cb 1.05 0.01 -0.32 0.00 -1.52 0.00 0.00 31.29 30.51 2dao h VAL 41 CO 1.13 0.01 -0.52 -0.62 0.02 0.00 0.00 177.57 177.59 2dao s ASP 42 N -4.87 0.51 0.32 0.57 -1.08 -1.08 -5.02 116.67 106.03 2dao s ASP 42 Ca -0.12 0.36 0.11 0.00 -0.52 0.00 0.00 52.55 52.38 2dao s ASP 42 Cb 0.30 0.79 0.54 0.00 -1.46 0.00 0.00 42.92 43.10 2dao s ASP 42 CO 0.78 -0.27 1.72 1.55 0.52 0.00 0.00 175.17 179.47 2dao h PRO 43 N 8.26 0.01 -0.35 4.34 0.13 -1.88 0.65 132.00 143.16 2dao h PRO 43 Ca -0.16 -0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.86 2dao h PRO 43 Cb 1.13 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.25 2dao h PRO 43 CO 0.20 0.49 -0.21 -0.97 -0.23 0.00 0.00 178.00 177.28 2dao h ASN 44 N 0.01 0.68 0.23 1.44 -0.73 -1.96 -1.87 115.58 113.38 2dao h ASN 44 Ca -0.00 -0.23 -0.34 0.00 1.87 0.00 0.00 56.30 57.59 2dao h ASN 44 Cb 0.86 -0.19 -0.02 0.00 0.27 0.00 0.00 38.32 39.25 2dao h ASN 44 CO 0.06 0.89 -1.88 1.23 -0.37 0.00 0.00 177.43 177.36 2dao h GLY 45 N 0.99 0.25 0.87 1.57 0.00 -1.93 -3.32 103.07 101.49 2dao h GLY 45 Ca 0.09 -0.64 -0.02 0.00 0.00 0.00 0.00 47.33 46.75 2dao h GLY 45 CO 0.05 0.56 -0.23 -2.00 0.00 0.00 0.00 176.54 174.92 2dao h LEU 46 N 0.06 -0.56 -0.63 3.11 7.12 -0.90 -3.10 115.31 120.41 2dao h LEU 46 Ca -0.37 -0.04 0.13 0.00 0.13 0.00 0.00 57.88 57.72 2dao h LEU 46 Cb 2.04 0.14 -0.10 0.00 -0.53 0.00 0.00 40.66 42.20 2dao h LEU 46 CO 0.10 -0.29 0.03 0.00 -0.13 0.00 0.00 178.44 178.14 2dao h ALA 47 N -0.36 0.65 -0.98 1.25 0.00 -1.54 -1.34 119.26 116.94 2dao h ALA 47 Ca -0.07 0.19 0.19 0.00 0.00 0.00 0.00 54.91 55.22 2dao h ALA 47 Cb 0.57 0.31 -0.18 0.00 0.00 0.00 0.00 17.79 18.49 2dao h ALA 47 CO 0.11 -0.38 -0.27 0.54 0.00 0.00 0.00 179.25 179.25 2dao n ARG 48 N -5.26 -0.11 -0.19 0.00 1.74 -1.17 0.80 116.66 112.46 2dao n ARG 48 Ca 0.10 1.52 -0.08 0.00 -0.77 0.00 0.00 57.85 58.62 2dao n ARG 48 Cb 0.37 -2.27 0.02 0.00 -1.02 0.00 0.00 32.46 29.56 2dao n ARG 48 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 2dao h LEU 49 N 0.00 0.75 0.73 0.55 3.38 -1.29 0.61 115.31 120.04 2dao h LEU 49 Ca 0.45 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 58.22 2dao h LEU 49 Cb 0.69 -0.19 0.01 0.00 0.09 0.00 0.00 40.66 41.26 2dao h LEU 49 CO -1.00 0.70 -0.35 -0.25 0.09 0.00 0.00 178.44 177.63 2dao h TRP 50 N 0.74 -0.91 -0.31 1.13 2.91 0.60 -3.21 115.95 116.90 2dao h TRP 50 Ca 0.18 -0.02 -0.01 0.00 1.13 0.00 0.00 58.89 60.17 2dao h TRP 50 Cb 0.18 0.30 -0.01 0.00 -0.51 0.00 0.00 29.16 29.11 2dao h TRP 50 CO 0.00 -0.57 0.14 0.78 -1.03 0.00 0.00 178.44 177.77 2dao h GLY 51 N -1.11 0.49 -0.15 2.65 0.00 -0.26 -2.71 103.07 101.98 2dao h GLY 51 Ca -0.10 -0.25 0.01 0.00 0.00 0.00 0.00 47.33 46.99 2dao h GLY 51 CO 0.16 0.24 -0.09 -2.01 0.00 0.00 0.00 176.54 174.84 2dao n ASN 52 N -4.76 -0.16 0.24 0.19 5.15 0.21 0.18 115.26 116.32 2dao n ASN 52 Ca -0.02 0.83 0.07 0.00 -0.60 0.00 0.00 54.58 54.86 2dao n ASN 52 Cb 0.11 -0.31 0.58 0.00 -0.53 0.00 0.00 39.78 39.63 2dao n ASN 52 CO 0.00 0.00 0.00 1.12 1.40 0.00 0.00 177.26 179.78 2dao h HIS 53 N 0.00 0.00 0.00 1.20 2.07 -1.60 -1.12 115.15 115.71 2dao h HIS 53 Ca 0.02 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.54 2dao h HIS 53 Cb 0.06 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.04 2dao h HIS 53 CO -0.68 0.13 0.00 1.17 -3.07 0.00 0.00 177.93 175.47 2dao n LYS 54 N -4.27 0.12 -3.54 5.12 3.00 0.48 -4.83 118.16 114.24 2dao n LYS 54 Ca -0.03 0.19 -0.21 0.00 -0.00 0.00 0.00 58.31 58.26 2dao n LYS 54 Cb 0.20 -1.50 0.08 0.00 0.00 0.00 0.00 35.03 33.81 2dao n LYS 54 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 2dao n ASN 55 N -1.26 -4.42 -2.90 3.14 3.02 -0.42 -5.01 115.26 107.42 2dao n ASN 55 Ca 0.04 -0.59 -0.06 0.00 -0.03 0.00 0.00 54.58 53.94 2dao n ASN 55 Cb 0.06 -5.02 0.02 0.00 -0.61 0.00 0.00 39.78 34.23 2dao n ASN 55 CO 0.00 0.00 0.00 -2.11 -2.62 0.00 0.00 177.26 172.53 2dao n ARG 56 N -4.62 0.83 -3.77 3.52 -4.01 -1.19 -5.08 116.66 102.35 2dao n ARG 56 Ca -0.12 -0.95 -0.30 0.00 -1.04 0.00 0.00 57.85 55.44 2dao n ARG 56 Cb 0.61 -0.09 -0.14 0.00 -3.04 0.00 0.00 32.46 29.81 2dao n ARG 56 CO 0.00 0.00 0.00 0.99 -3.04 0.00 0.00 177.63 175.58 2dao s THR 57 N -0.17 1.57 -0.32 8.89 2.01 -1.26 -4.82 115.64 121.53 2dao s THR 57 Ca 0.19 -2.51 -0.00 0.00 0.31 0.00 0.00 61.69 59.68 2dao s THR 57 Cb -0.01 -2.11 -0.00 0.00 0.01 0.00 0.00 72.50 70.38 2dao s THR 57 CO 0.12 -0.83 0.27 -3.20 -0.69 0.00 0.00 174.62 170.29 2dao n ASN 58 N 3.70 -2.22 -3.62 3.53 5.15 -1.26 -4.92 115.26 115.62 2dao n ASN 58 Ca 0.06 -0.17 -0.43 0.00 -0.60 0.00 0.00 54.58 53.44 2dao n ASN 58 Cb 0.35 -1.78 -0.04 0.00 -0.53 0.00 0.00 39.78 37.79 2dao n ASN 58 CO 0.00 0.00 0.00 0.80 1.40 0.00 0.00 177.26 179.46 2dao n MET 59 N -1.88 0.00 -5.19 1.20 0.00 -1.26 -4.94 117.12 105.04 2dao n MET 59 Ca -0.07 0.00 -0.31 0.00 -0.00 0.00 0.00 57.70 57.32 2dao n MET 59 Cb 0.54 -0.97 -0.17 0.00 0.00 0.00 0.00 33.22 32.62 2dao n MET 59 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 175.97 175.89 2dao s THR 60 N -0.50 1.99 0.40 1.12 -1.32 -1.26 -4.85 115.64 111.22 2dao s THR 60 Ca 0.61 -1.00 0.19 0.00 -1.21 0.00 0.00 61.69 60.27 2dao s THR 60 Cb -0.87 -1.70 0.39 0.00 -1.51 0.00 0.00 72.50 68.81 2dao s THR 60 CO 0.46 0.55 1.78 0.22 -2.21 0.00 0.00 174.62 175.42 2dao h TYR 61 N 6.45 0.63 -0.81 9.09 3.20 -1.92 0.19 116.97 133.81 2dao h TYR 61 Ca -0.25 0.02 0.08 0.00 3.14 0.00 0.00 58.73 61.72 2dao h TYR 61 Cb 1.21 -0.19 -0.07 0.00 1.54 0.00 0.00 36.73 39.23 2dao h TYR 61 CO 0.45 0.07 0.47 1.49 -1.64 0.00 0.00 178.16 179.00 2dao h GLU 62 N 0.39 0.79 -0.00 1.82 4.81 -1.99 0.20 114.58 120.60 2dao h GLU 62 Ca 0.58 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.76 2dao h GLU 62 Cb 1.48 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.68 2dao h GLU 62 CO -0.28 0.53 -0.10 1.63 -0.73 0.00 0.00 179.01 180.06 2dao n LYS 63 N -4.72 0.06 -0.07 1.92 5.02 0.61 -3.32 118.16 117.66 2dao n LYS 63 Ca 0.12 -0.01 -0.05 0.00 -2.02 0.00 0.00 58.31 56.35 2dao n LYS 63 Cb 0.23 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 33.72 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 0.03 0.00 -0.84 1.97 4.05 -0.04 -3.38 114.93 116.72 2dao h MET 64 Ca 0.00 0.00 0.18 0.00 -0.28 0.00 0.00 59.70 59.60 2dao h MET 64 Cb 0.48 0.00 -0.06 0.00 -0.80 0.00 0.00 31.60 31.22 2dao h MET 64 CO 0.00 0.07 0.56 1.03 0.23 0.00 0.00 176.91 178.80 2dao h SER 65 N -1.00 0.42 -1.50 1.39 0.87 -0.87 -1.61 113.55 111.24 2dao h SER 65 Ca -0.02 0.03 0.46 0.00 -1.23 0.00 0.00 61.79 61.04 2dao h SER 65 Cb 0.49 -0.05 -0.09 0.00 -0.44 0.00 0.00 62.40 62.32 2dao h SER 65 CO -0.01 0.19 1.04 0.54 -0.53 0.00 0.00 176.83 178.06 2dao n ARG 66 N -4.50 -0.01 0.01 2.24 5.12 -1.21 -1.02 116.66 117.28 2dao n ARG 66 Ca 0.17 1.01 -0.00 0.00 -1.93 0.00 0.00 57.85 57.09 2dao n ARG 66 Cb 0.61 -2.17 -0.00 0.00 -1.16 0.00 0.00 32.46 29.74 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 1.09 -0.25 -0.71 7.54 0.00 -1.54 -3.22 119.26 122.17 2dao h ALA 67 Ca 0.80 -0.00 0.23 0.00 0.00 0.00 0.00 54.91 55.93 2dao h ALA 67 Cb 2.94 0.01 -0.13 0.00 0.00 0.00 0.00 17.79 20.61 2dao h ALA 67 CO -0.18 -0.25 0.14 1.28 0.00 0.00 0.00 179.25 180.24 2dao n LEU 68 N -2.18 0.03 0.27 0.00 7.99 -0.19 0.48 117.00 123.40 2dao n LEU 68 Ca -0.00 1.20 -0.18 0.00 -0.01 0.00 0.00 56.01 57.02 2dao n LEU 68 Cb 0.01 -0.49 -0.10 0.00 -0.11 0.00 0.00 43.42 42.73 2dao n LEU 68 CO 0.01 -1.26 0.52 0.03 -1.51 0.00 0.00 177.39 175.18 2dao h ARG 69 N 0.00 -0.93 -1.01 3.23 -0.00 -1.49 -1.84 114.38 112.33 2dao h ARG 69 Ca 0.49 0.06 0.34 0.00 -0.50 0.00 0.00 59.98 60.37 2dao h ARG 69 Cb 1.13 0.21 -0.15 0.00 0.00 0.00 0.00 29.97 31.16 2dao h ARG 69 CO -0.63 -0.62 0.58 0.45 0.00 0.00 0.00 179.97 179.75 2dao h HIS 70 N -0.97 0.91 -0.20 3.04 3.86 0.03 1.20 115.15 123.02 2dao h HIS 70 Ca -0.06 0.04 -0.08 0.00 -1.16 0.00 0.00 60.37 59.11 2dao h HIS 70 Cb 0.85 -0.24 -0.01 0.00 1.06 0.00 0.00 27.41 29.07 2dao h HIS 70 CO -0.27 -0.21 -0.22 1.88 0.86 0.00 0.00 177.93 179.97 2dao h TYR 71 N 0.28 0.39 -0.09 2.45 0.05 -1.04 -3.14 116.97 115.88 2dao h TYR 71 Ca 0.75 -0.07 0.04 0.00 0.05 0.00 0.00 58.73 59.50 2dao h TYR 71 Cb 1.77 -0.10 -0.06 0.00 1.01 0.00 0.00 36.73 39.35 2dao h TYR 71 CO -0.01 0.56 -0.36 1.88 -1.05 0.00 0.00 178.16 179.19 2dao h TYR 72 N 0.33 -0.99 -0.64 4.88 0.05 0.22 0.12 116.97 120.93 2dao h TYR 72 Ca 0.05 0.04 0.15 0.00 0.05 0.00 0.00 58.73 59.02 2dao h TYR 72 Cb 0.57 0.45 -0.03 0.00 1.01 0.00 0.00 36.73 38.73 2dao h TYR 72 CO 0.01 -0.43 0.44 0.87 -1.05 0.00 0.00 178.16 178.00 2dao h LYS 73 N -0.46 0.20 0.00 4.88 6.56 -1.50 0.51 116.57 126.75 2dao h LYS 73 Ca 0.08 -0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.66 2dao h LYS 73 Cb 0.58 -0.04 0.00 0.00 -0.57 0.00 0.00 32.23 32.20 2dao h LYS 73 CO -0.34 0.13 0.00 1.28 -2.06 0.00 0.00 179.45 178.46 2dao n LEU 74 N -4.42 0.00 -3.45 2.94 4.77 0.01 -4.85 117.00 112.00 2dao n LEU 74 Ca 0.12 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 55.91 2dao n LEU 74 Cb 0.57 0.00 0.09 0.00 -2.33 0.00 0.00 43.42 41.75 2dao n LEU 74 CO 0.35 0.00 0.15 0.59 -1.33 0.00 0.00 177.39 177.15 2dao n ASN 75 N -0.81 -3.42 -0.04 -1.43 4.13 0.18 -4.93 115.26 108.94 2dao n ASN 75 Ca 0.10 -0.59 -0.07 0.00 1.68 0.00 0.00 54.58 55.71 2dao n ASN 75 Cb 0.05 -5.04 -0.03 0.00 -1.54 0.00 0.00 39.78 33.22 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 -4.37 0.45 -4.52 2.41 5.41 -1.13 -4.82 119.36 112.78 2dao n ILE 76 Ca -0.19 -0.14 -0.26 0.00 1.00 0.00 0.00 62.75 63.16 2dao n ILE 76 Cb 0.63 -1.15 -0.13 0.00 -0.71 0.00 0.00 39.64 38.28 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 -2.15 1.79 -0.18 1.39 1.01 -1.26 -2.05 121.20 119.76 2dao s ILE 77 Ca -0.11 -1.40 0.01 0.00 0.00 0.00 0.00 60.65 59.15 2dao s ILE 77 Cb 0.03 -1.58 0.03 0.00 0.01 0.00 0.00 42.46 40.95 2dao s ILE 77 CO 0.16 0.12 -0.13 -0.60 0.00 0.00 0.00 174.94 174.50 2dao s ARG 78 N -1.53 2.22 -0.26 2.79 3.52 0.44 -4.33 118.95 121.79 2dao s ARG 78 Ca 0.08 -0.75 -0.25 0.00 -0.13 0.00 0.00 55.73 54.68 2dao s ARG 78 Cb -0.09 -2.33 0.00 0.00 -1.56 0.00 0.00 34.95 30.97 2dao s ARG 78 CO 0.03 -0.34 0.88 0.21 -0.81 0.00 0.00 175.30 175.27 2dao s LYS 79 N 1.41 4.13 0.13 5.12 2.20 -1.26 -0.56 119.74 130.91 2dao s LYS 79 Ca 0.01 0.94 -0.30 0.00 -0.36 0.00 0.00 55.97 56.26 2dao s LYS 79 Cb -0.15 -3.67 -0.07 0.00 -1.51 0.00 0.00 37.83 32.43 2dao s LYS 79 CO -0.09 -0.61 1.13 -1.21 -0.36 0.00 0.00 175.35 174.20 2dao s GLU 80 N 3.01 4.54 -0.02 4.03 0.41 -1.20 -4.97 118.70 124.49 2dao s GLU 80 Ca 0.37 1.72 -0.25 0.00 -0.41 0.00 0.00 54.97 56.40 2dao s GLU 80 Cb -0.15 -3.31 -0.19 0.00 -1.78 0.00 0.00 34.13 28.70 2dao s GLU 80 CO 0.09 -0.04 1.22 -1.00 -0.49 0.00 0.00 175.26 175.04 2dao h PRO 81 N 5.75 -0.06 -1.37 0.39 0.13 -1.95 -3.20 132.00 131.68 2dao h PRO 81 Ca -0.43 0.00 0.48 0.00 -0.87 0.00 0.00 66.00 65.18 2dao h PRO 81 Cb 1.21 0.01 -0.14 0.00 0.13 0.00 0.00 31.00 32.22 2dao h PRO 81 CO 0.75 0.40 0.87 0.41 -0.23 0.00 0.00 178.00 180.21 2dao n GLY 82 N 0.21 -0.84 3.24 1.56 0.00 -1.26 -4.46 105.19 103.64 2dao n GLY 82 Ca -0.08 0.77 -0.21 0.00 0.00 0.00 0.00 46.02 46.49 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 -4.76 0.78 0.00 1.61 1.13 -1.21 -5.11 117.38 109.82 2dao n GLN 83 Ca 0.40 -2.87 0.00 0.00 -1.94 0.00 0.00 57.00 52.60 2dao n GLN 83 Cb 1.56 0.22 0.00 0.00 0.11 0.00 0.00 30.24 32.14 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 -1.67 0.00 -1.64 -1.09 5.12 -1.26 -4.73 116.66 111.38 2dao n ARG 84 Ca 0.01 0.00 -0.31 0.00 -1.93 0.00 0.00 57.85 55.62 2dao n ARG 84 Cb 0.53 -0.22 -0.04 0.00 -1.16 0.00 0.00 32.46 31.56 2dao n ARG 84 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 2dao n LEU 85 N -2.01 7.03 -4.56 0.55 4.32 -1.26 -4.90 117.00 116.17 2dao n LEU 85 Ca 0.00 -4.33 -0.34 0.00 -0.02 0.00 0.00 56.01 51.32 2dao n LEU 85 Cb 0.00 -1.30 -0.11 0.00 -1.62 0.00 0.00 43.42 40.39 2dao n LEU 85 CO 0.00 1.86 -0.32 -0.22 -1.22 0.00 0.00 177.39 177.49 2dao s LEU 86 N -1.99 3.44 -0.06 2.23 1.98 -1.26 -3.07 118.68 119.95 2dao s LEU 86 Ca 0.58 -0.04 0.02 0.00 -2.89 0.00 0.00 54.13 51.80 2dao s LEU 86 Cb 0.30 -1.83 0.01 0.00 0.66 0.00 0.00 46.19 45.33 2dao s LEU 86 CO -0.16 0.20 -0.11 -0.36 -1.89 0.00 0.00 176.35 174.02 2dao s PHE 87 N 0.20 1.36 -0.28 5.38 0.08 -0.94 -3.27 117.98 120.51 2dao s PHE 87 Ca -0.00 -0.48 -0.03 0.00 0.12 0.00 0.00 56.93 56.54 2dao s PHE 87 Cb -0.13 -1.00 0.03 0.00 -0.57 0.00 0.00 43.02 41.34 2dao s PHE 87 CO 0.02 -0.25 0.00 0.50 -0.10 0.00 0.00 175.22 175.39 2dao s ARG 88 N 0.62 2.78 -1.22 0.44 3.52 0.27 -2.19 118.95 123.17 2dao s ARG 88 Ca -0.13 -1.04 -0.21 0.00 -0.13 0.00 0.00 55.73 54.22 2dao s ARG 88 Cb -0.15 -3.17 -0.03 0.00 -1.56 0.00 0.00 34.95 30.05 2dao s ARG 88 CO 0.03 -0.49 1.85 -0.06 -0.81 0.00 0.00 175.30 175.83 2dao s PHE 89 N 1.36 2.27 0.00 5.12 0.08 -1.12 -0.42 117.98 125.25 2dao s PHE 89 Ca -0.01 -0.33 0.00 0.00 0.12 0.00 0.00 56.93 56.71 2dao s PHE 89 Cb -0.18 -4.29 0.00 0.00 -0.57 0.00 0.00 43.02 37.98 2dao s PHE 89 CO -0.01 -1.45 0.67 -1.33 -0.10 0.00 0.00 175.22 173.00 2dao n MET 90 N 8.34 0.00 -3.40 0.44 2.81 -0.87 -4.61 117.12 119.84 2dao n MET 90 Ca 0.46 0.67 -0.23 0.00 -1.81 0.00 0.00 57.70 56.79 2dao n MET 90 Cb 0.46 -1.02 0.04 0.00 -0.71 0.00 0.00 33.22 31.99 2dao n MET 90 CO 0.00 0.00 0.00 0.36 1.51 0.00 0.00 175.97 177.84 2dao n LYS 91 N -2.51 0.62 -2.26 0.03 2.85 -1.25 -5.02 118.16 110.62 2dao n LYS 91 Ca 0.00 -3.34 -0.42 0.00 -1.05 0.00 0.00 58.31 53.50 2dao n LYS 91 Cb 0.00 0.03 -0.03 0.00 -0.65 0.00 0.00 35.03 34.38 2dao n LYS 91 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 2dao s THR 92 N -2.74 3.63 0.12 0.58 2.01 -1.26 -4.94 115.64 113.04 2dao s THR 92 Ca 0.49 1.14 -0.13 0.00 0.31 0.00 0.00 61.69 63.50 2dao s THR 92 Cb -0.04 -3.73 -0.06 0.00 0.01 0.00 0.00 72.50 68.68 2dao s THR 92 CO 0.31 0.07 1.45 1.55 -0.69 0.00 0.00 174.62 177.31 2dao h PRO 93 N 7.03 0.82 0.00 4.92 0.13 -1.97 -2.82 132.00 140.12 2dao h PRO 93 Ca -0.41 -0.43 0.00 0.00 -0.87 0.00 0.00 66.00 64.29 2dao h PRO 93 Cb 1.20 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2dao h PRO 93 CO 0.86 1.07 0.00 -0.44 -0.23 0.00 0.00 178.00 179.25 2dao h ASP 94 N 0.60 0.00 0.00 1.44 5.19 -1.98 -2.91 116.42 118.76 2dao h ASP 94 Ca 0.05 0.00 -0.11 0.00 -0.62 0.00 0.00 57.03 56.36 2dao h ASP 94 Cb 0.91 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.41 2dao h ASP 94 CO 0.08 0.00 -0.63 -0.08 -3.12 0.00 0.00 179.24 175.49 2dao h GLU 95 N 0.00 0.00 -0.94 3.56 4.57 -1.91 -3.35 114.58 116.52 2dao h GLU 95 Ca 0.00 0.00 0.20 0.00 -1.18 0.00 0.00 59.36 58.38 2dao h GLU 95 Cb 0.20 0.00 -0.08 0.00 -0.16 0.00 0.00 28.75 28.71 2dao h GLU 95 CO 0.00 0.83 0.61 0.82 -1.18 0.00 0.00 179.01 180.09 2dao h ILE 96 N -1.00 0.70 0.00 2.32 2.04 -1.33 -3.41 117.51 116.83 2dao h ILE 96 Ca -0.16 -0.18 -0.32 0.00 1.00 0.00 0.00 64.86 65.20 2dao h ILE 96 Cb 1.02 0.12 -0.08 0.00 -0.74 0.00 0.00 36.82 37.14 2dao h ILE 96 CO -0.10 0.10 1.37 0.23 0.00 0.00 0.00 178.15 179.75 2dao n MET 97 N -4.58 0.00 -3.64 2.37 2.81 -1.11 -4.79 117.12 108.17 2dao n MET 97 Ca 0.20 0.00 -0.09 0.00 -1.81 0.00 0.00 57.70 56.00 2dao n MET 97 Cb 0.65 -0.92 -0.07 0.00 -0.71 0.00 0.00 33.22 32.17 2dao n MET 97 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 2dao s SER 98 N 3.55 -0.65 -0.40 7.83 1.04 -1.26 -5.09 113.70 118.71 2dao s SER 98 Ca 0.97 1.18 0.09 0.00 0.48 0.00 0.00 55.95 58.67 2dao s SER 98 Cb -0.78 1.22 0.28 0.00 0.10 0.00 0.00 66.02 66.85 2dao s SER 98 CO 0.38 -0.20 0.67 0.61 0.98 0.00 0.00 173.24 175.69 2dao n GLY 99 N 2.98 2.55 0.08 7.32 0.00 -1.26 -4.48 105.19 112.38 2dao n GLY 99 Ca -0.15 -1.27 -0.10 0.00 0.00 0.00 0.00 46.02 44.49 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 1.04 0.39 0.05 1.61 5.12 -1.26 -4.69 116.66 118.92 2dao n ARG 100 Ca 0.20 0.09 0.00 0.00 -1.93 0.00 0.00 57.85 56.20 2dao n ARG 100 Cb 0.59 -1.30 0.00 0.00 -1.16 0.00 0.00 32.46 30.59 2dao n ARG 100 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 2dao n THR 101 N -2.94 0.89 -0.01 0.55 -1.04 -1.26 -4.75 114.28 105.72 2dao n THR 101 Ca -0.27 0.29 0.21 0.00 -2.04 0.00 0.00 64.05 62.25 2dao n THR 101 Cb 0.79 -1.36 0.71 0.00 -1.82 0.00 0.00 70.33 68.64 2dao n THR 101 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 2dao h ASP 102 N 0.00 0.00 -6.70 8.00 3.32 -1.92 -3.45 116.42 115.67 2dao h ASP 102 Ca 0.00 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.51 2dao h ASP 102 Cb 0.00 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 39.44 2dao h ASP 102 CO 0.00 0.00 -0.91 0.54 -1.72 0.00 0.00 179.24 177.15 2dao n ARG 103 N -4.25 -2.50 -0.18 3.56 1.74 -1.26 -4.79 116.66 108.97 2dao n ARG 103 Ca 0.10 0.30 0.21 0.00 -0.77 0.00 0.00 57.85 57.69 2dao n ARG 103 Cb 0.65 -4.22 0.58 0.00 -1.02 0.00 0.00 32.46 28.45 2dao n ARG 103 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 2dao h LEU 104 N -1.81 0.26 -0.92 0.55 6.46 -1.88 -1.06 115.31 116.91 2dao h LEU 104 Ca -0.64 0.02 0.26 0.00 -0.12 0.00 0.00 57.88 57.41 2dao h LEU 104 Cb 1.38 -0.03 -0.14 0.00 -0.73 0.00 0.00 40.66 41.14 2dao h LEU 104 CO 0.66 0.11 0.35 -0.33 -0.62 0.00 0.00 178.44 178.60 2dao h GLU 105 N 0.27 0.24 -1.65 1.25 4.39 -1.88 0.31 114.58 117.51 2dao h GLU 105 Ca 0.41 -0.01 0.52 0.00 0.34 0.00 0.00 59.36 60.62 2dao h GLU 105 Cb 1.21 -0.05 -0.11 0.00 -0.10 0.00 0.00 28.75 29.70 2dao h GLU 105 CO -0.11 0.16 1.13 1.25 -1.16 0.00 0.00 179.01 180.28 2dao h HIS 106 N 0.25 0.28 -0.23 4.33 2.76 -1.54 1.45 115.15 122.45 2dao h HIS 106 Ca 0.61 0.01 -0.13 0.00 -2.20 0.00 0.00 60.37 58.67 2dao h HIS 106 Cb 1.30 -0.06 -0.07 0.00 1.55 0.00 0.00 27.41 30.12 2dao h HIS 106 CO -0.18 -0.15 0.17 1.28 -1.30 0.00 0.00 177.93 177.74 2dao n LEU 107 N -4.37 4.35 0.02 0.26 4.77 0.11 -3.96 117.00 118.18 2dao n LEU 107 Ca 0.42 -2.19 -0.21 0.00 -0.03 0.00 0.00 56.01 54.00 2dao n LEU 107 Cb 1.76 -0.70 -0.14 0.00 -2.33 0.00 0.00 43.42 42.01 2dao n LEU 107 CO 0.31 0.74 -0.72 1.05 -1.33 0.00 0.00 177.39 177.43 2dao h GLU 108 N 0.46 0.29 -0.55 3.23 4.11 0.18 -3.40 114.58 118.90 2dao h GLU 108 Ca 0.15 -0.49 -0.37 0.00 0.07 0.00 0.00 59.36 58.71 2dao h GLU 108 Cb 1.33 0.18 -0.40 0.00 0.50 0.00 0.00 28.75 30.36 2dao h GLU 108 CO 0.29 1.22 -0.97 0.43 0.07 0.00 0.00 179.01 180.04 2dao n SER 109 N -3.49 3.03 -0.11 3.06 7.64 -1.25 -4.76 113.62 117.74 2dao n SER 109 Ca -0.29 -2.82 -0.23 0.00 1.01 0.00 0.00 58.87 56.54 2dao n SER 109 Cb 1.06 -0.42 -0.08 0.00 -1.01 0.00 0.00 64.21 63.76 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 -0.63 0.46 -0.00 1.43 7.27 -1.26 -4.49 117.38 120.15 2dao n GLN 110 Ca 0.23 0.20 -0.18 0.00 0.07 0.00 0.00 57.00 57.33 2dao n GLN 110 Cb 0.88 -1.27 -0.09 0.00 2.41 0.00 0.00 30.24 32.17 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 -0.75 0.62 -1.09 3.69 -0.00 -1.87 -3.18 114.58 111.99 2dao h GLU 111 Ca -0.55 -0.57 0.30 0.00 -0.00 0.00 0.00 59.36 58.55 2dao h GLU 111 Cb 1.49 0.14 -0.06 0.00 -0.00 0.00 0.00 28.75 30.31 2dao h GLU 111 CO -0.32 1.18 0.75 -0.07 -0.00 0.00 0.00 179.01 180.55 2dao h LEU 112 N 0.25 0.18 -1.17 3.06 3.38 -1.83 -3.45 115.31 115.73 2dao h LEU 112 Ca -0.07 0.03 -0.27 0.00 0.09 0.00 0.00 57.88 57.66 2dao h LEU 112 Cb 1.38 0.01 0.11 0.00 0.09 0.00 0.00 40.66 42.24 2dao h LEU 112 CO 0.15 0.03 -0.51 -0.24 0.09 0.00 0.00 178.44 177.96 2dao n SER 113 N -4.37 -4.17 -3.44 -0.43 2.88 -1.20 -4.98 113.62 97.90 2dao n SER 113 Ca 0.24 -0.41 -0.26 0.00 -1.33 0.00 0.00 58.87 57.11 2dao n SER 113 Cb 1.06 -3.79 -0.09 0.00 -0.75 0.00 0.00 64.21 60.65 2dao n SER 113 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dao n GLY 114 N -1.43 3.93 3.57 0.46 0.00 -1.26 -5.06 105.19 105.39 2dao n GLY 114 Ca -0.06 -2.30 -0.40 0.00 0.00 0.00 0.00 46.02 43.26 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 -1.74 2.89 -0.23 1.61 0.04 -1.26 -4.94 135.00 131.36 2dao s PRO 115 Ca 0.35 0.84 -0.21 0.00 0.04 0.00 0.00 61.00 62.03 2dao s PRO 115 Cb 0.11 -4.31 0.06 0.00 0.04 0.00 0.00 34.50 30.41 2dao s PRO 115 CO -0.08 -2.41 0.62 -1.54 0.04 0.00 0.00 177.00 173.63 2dao s SER 116 N 7.22 -0.67 -0.00 6.66 1.04 -1.26 -5.15 113.70 121.53 2dao s SER 116 Ca 0.70 1.26 -0.22 0.00 0.48 0.00 0.00 55.95 58.17 2dao s SER 116 Cb -0.15 1.26 -0.05 0.00 0.10 0.00 0.00 66.02 67.18 2dao s SER 116 CO 0.25 -0.22 0.64 -0.94 0.98 0.00 0.00 173.24 173.95 2dao s SER 117 N 0.50 7.02 0.00 7.02 1.04 -1.26 -5.22 113.70 122.79 2dao s SER 117 Ca -0.01 1.21 0.15 0.00 0.48 0.00 0.00 55.95 57.78 2dao s SER 117 Cb -0.05 -2.39 0.89 0.00 0.10 0.00 0.00 66.02 64.58 2dao s SER 117 CO -0.02 0.06 1.31 0.61 0.98 0.00 0.00 173.24 176.18