#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 6.43 0.24 1.61 1.04 -1.26 -4.98 113.70 116.78 2dao s SER 2 Ca 0.00 0.93 -0.13 0.00 0.48 0.00 0.00 55.95 57.24 2dao s SER 2 Cb 0.00 -2.24 0.31 0.00 0.10 0.00 0.00 66.02 64.19 2dao s SER 2 CO 0.00 -0.38 1.59 0.28 0.98 0.00 0.00 173.24 175.71 2dao h SER 3 N 1.10 -0.87 0.00 7.02 0.02 -1.85 -3.46 113.55 115.51 2dao h SER 3 Ca -0.47 0.25 0.00 0.00 -0.84 0.00 0.00 61.79 60.72 2dao h SER 3 Cb 1.19 0.54 0.00 0.00 0.14 0.00 0.00 62.40 64.27 2dao h SER 3 CO 0.64 -0.28 0.00 0.61 -1.14 0.00 0.00 176.83 176.66 2dao n GLY 4 N -1.51 3.04 0.51 -3.77 0.00 -1.26 -4.83 105.19 97.37 2dao n GLY 4 Ca 0.11 -0.71 -0.06 0.00 0.00 0.00 0.00 46.02 45.36 2dao n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dao n SER 5 N 0.00 1.63 -3.89 1.61 2.88 -1.26 -5.05 113.62 109.54 2dao n SER 5 Ca 0.00 0.04 -0.16 0.00 -1.33 0.00 0.00 58.87 57.41 2dao n SER 5 Cb 0.00 -0.15 -0.15 0.00 -0.75 0.00 0.00 64.21 63.16 2dao n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2dao s SER 6 N -5.19 0.48 0.00 -3.46 1.04 -1.26 -5.08 113.70 100.23 2dao s SER 6 Ca -0.08 -0.06 0.00 0.00 0.48 0.00 0.00 55.95 56.29 2dao s SER 6 Cb 0.03 -0.15 0.00 0.00 0.10 0.00 0.00 66.02 66.00 2dao s SER 6 CO 0.12 -0.02 0.00 0.61 0.98 0.00 0.00 173.24 174.93 2dao n GLY 7 N 3.52 -0.72 3.15 7.32 0.00 -1.26 -4.69 105.19 112.51 2dao n GLY 7 Ca -0.19 0.65 -0.13 0.00 0.00 0.00 0.00 46.02 46.35 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 0.40 1.22 0.33 0.00 3.52 -1.26 -5.12 118.95 118.03 2dao s ARG 9 Ca -0.02 -0.45 0.07 0.00 -0.13 0.00 0.00 55.73 55.20 2dao s ARG 9 Cb -0.04 -1.94 -0.03 0.00 -1.56 0.00 0.00 34.95 31.39 2dao s ARG 9 CO -0.02 -0.46 0.29 1.28 -0.81 0.00 0.00 175.30 175.59 2dao n LEU 10 N 4.93 0.00 -0.02 -0.88 4.77 -1.26 -4.46 117.00 120.07 2dao n LEU 10 Ca -0.11 -3.12 -0.01 0.00 -0.03 0.00 0.00 56.01 52.74 2dao n LEU 10 Cb 0.48 1.72 -0.00 0.00 -2.33 0.00 0.00 43.42 43.28 2dao n LEU 10 CO 0.15 -0.53 -0.11 -0.11 -1.33 0.00 0.00 177.39 175.46 2dao n LEU 11 N 0.00 0.54 -0.22 2.23 7.94 -1.26 -3.56 117.00 122.67 2dao n LEU 11 Ca 0.07 0.34 0.16 0.00 -1.11 0.00 0.00 56.01 55.47 2dao n LEU 11 Cb 0.60 -0.61 0.30 0.00 0.53 0.00 0.00 43.42 44.24 2dao n LEU 11 CO 0.31 -0.49 0.61 -2.67 -1.11 0.00 0.00 177.39 174.05 2dao n TRP 12 N -2.97 0.61 -0.01 1.96 4.27 -1.26 0.20 117.44 120.24 2dao n TRP 12 Ca -0.02 0.78 -0.13 0.00 -3.89 0.00 0.00 57.50 54.24 2dao n TRP 12 Cb 0.09 -1.11 -0.09 0.00 -1.36 0.00 0.00 31.31 28.84 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 0.03 -1.46 -0.67 3.58 -2.01 -2.96 116.42 112.93 2dao h ASP 13 Ca 0.48 -0.37 0.42 0.00 0.42 0.00 0.00 57.03 57.99 2dao h ASP 13 Cb 1.17 -0.01 -0.06 0.00 1.72 0.00 0.00 39.33 42.16 2dao h ASP 13 CO -0.56 0.39 1.24 0.00 -2.88 0.00 0.00 179.24 177.43 2dao n TYR 14 N -4.89 0.00 0.27 0.28 9.36 0.53 -0.26 117.16 122.45 2dao n TYR 14 Ca -0.08 0.00 -0.16 0.00 3.32 0.00 0.00 57.90 60.98 2dao n TYR 14 Cb 0.20 -0.37 -0.09 0.00 -0.63 0.00 0.00 39.34 38.46 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 -0.55 2.97 2.07 -1.39 -2.93 116.25 116.42 2dao h VAL 15 Ca 0.70 0.00 0.09 0.00 0.82 0.00 0.00 66.70 68.30 2dao h VAL 15 Cb 3.16 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 32.83 2dao h VAL 15 CO -0.01 0.00 -0.42 0.22 0.02 0.00 0.00 177.57 177.39 2dao h TYR 16 N -0.91 -1.21 -1.62 1.57 3.20 -0.82 0.52 116.97 117.69 2dao h TYR 16 Ca -0.06 0.08 0.48 0.00 3.14 0.00 0.00 58.73 62.37 2dao h TYR 16 Cb 0.78 0.61 -0.08 0.00 1.54 0.00 0.00 36.73 39.58 2dao h TYR 16 CO -0.22 -0.42 1.15 1.96 -1.64 0.00 0.00 178.16 178.99 2dao h GLN 17 N -0.23 0.02 0.00 1.82 1.08 -1.58 -0.19 115.11 116.03 2dao h GLN 17 Ca 0.18 -0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.36 2dao h GLN 17 Cb 0.56 -0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 27.99 2dao h GLN 17 CO -0.67 0.02 -0.25 -0.07 -0.95 0.00 0.00 178.83 176.91 2dao h LEU 18 N 0.02 0.00 -0.92 1.46 3.38 0.16 -3.32 115.31 116.09 2dao h LEU 18 Ca 0.81 -0.19 0.16 0.00 0.09 0.00 0.00 57.88 58.75 2dao h LEU 18 Cb 3.10 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 43.69 2dao h LEU 18 CO -0.08 0.73 -0.30 -0.07 0.09 0.00 0.00 178.44 178.80 2dao h LEU 19 N -1.00 -1.12 -0.49 1.67 -0.00 0.33 0.27 115.31 114.96 2dao h LEU 19 Ca -0.03 0.29 0.10 0.00 -0.00 0.00 0.00 57.88 58.23 2dao h LEU 19 Cb 0.41 0.65 -0.10 0.00 -0.00 0.00 0.00 40.66 41.61 2dao h LEU 19 CO -0.02 -0.30 -0.15 -1.28 -0.00 0.00 0.00 178.44 176.69 2dao h SER 20 N -0.02 -0.53 -2.13 -0.43 0.87 -1.41 -3.34 113.55 106.56 2dao h SER 20 Ca 0.38 0.16 -0.51 0.00 -1.23 0.00 0.00 61.79 60.59 2dao h SER 20 Cb 0.63 0.33 -0.05 0.00 -0.44 0.00 0.00 62.40 62.88 2dao h SER 20 CO -0.94 -0.19 1.25 -1.81 -0.53 0.00 0.00 176.83 174.62 2dao s ASP 21 N -5.20 5.58 0.39 6.23 1.11 0.93 -4.84 116.67 120.86 2dao s ASP 21 Ca -0.14 0.10 0.13 0.00 0.18 0.00 0.00 52.55 52.82 2dao s ASP 21 Cb 0.16 -2.54 0.96 0.00 1.07 0.00 0.00 42.92 42.57 2dao s ASP 21 CO 0.72 -2.19 1.86 0.77 1.18 0.00 0.00 175.17 177.51 2dao h SER 22 N 13.29 0.53 0.00 0.27 4.64 -1.77 0.18 113.55 130.69 2dao h SER 22 Ca -0.27 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.10 2dao h SER 22 Cb 1.13 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 2dao h SER 22 CO 1.23 0.23 0.37 0.03 -0.87 0.00 0.00 176.83 177.83 2dao h ARG 23 N 0.54 0.00 -0.62 4.77 3.08 -1.90 0.66 114.38 120.91 2dao h ARG 23 Ca 0.46 0.00 -0.33 0.00 0.07 0.00 0.00 59.98 60.18 2dao h ARG 23 Cb 0.96 0.00 -0.20 0.00 0.08 0.00 0.00 29.97 30.81 2dao h ARG 23 CO -0.20 0.00 0.21 0.66 -1.07 0.00 0.00 179.97 179.56 2dao n TYR 24 N -2.42 1.94 0.03 3.04 4.02 0.63 -4.64 117.16 119.76 2dao n TYR 24 Ca -0.01 -1.77 -0.09 0.00 -0.01 0.00 0.00 57.90 56.02 2dao n TYR 24 Cb 0.40 -0.69 -0.07 0.00 -0.02 0.00 0.00 39.34 38.96 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 1.06 -0.16 -1.48 -0.72 5.08 0.27 -1.66 114.58 116.97 2dao h GLU 25 Ca 0.40 0.01 0.44 0.00 -1.00 0.00 0.00 59.36 59.20 2dao h GLU 25 Cb 2.09 0.04 -0.08 0.00 0.50 0.00 0.00 28.75 31.30 2dao h GLU 25 CO 0.71 0.27 1.05 -0.91 -1.00 0.00 0.00 179.01 179.13 2dao h ASN 26 N -0.92 0.07 0.30 1.42 2.35 -1.82 0.61 115.58 117.59 2dao h ASN 26 Ca -0.02 0.03 -0.33 0.00 -0.55 0.00 0.00 56.30 55.43 2dao h ASN 26 Cb 0.51 0.02 -0.02 0.00 0.05 0.00 0.00 38.32 38.88 2dao h ASN 26 CO 0.03 -0.02 -1.77 -0.26 -1.65 0.00 0.00 177.43 173.76 2dao h PHE 27 N 0.04 0.42 -1.93 1.19 0.04 -1.90 -3.41 116.94 111.40 2dao h PHE 27 Ca 0.74 -0.31 0.04 0.00 2.80 0.00 0.00 57.97 61.25 2dao h PHE 27 Cb 2.81 -0.02 -0.21 0.00 2.20 0.00 0.00 35.95 40.73 2dao h PHE 27 CO -0.00 1.51 0.03 -1.50 -0.60 0.00 0.00 178.31 177.74 2dao s ILE 28 N -2.59 -0.22 0.34 -0.55 2.07 0.21 -0.32 121.20 120.15 2dao s ILE 28 Ca -0.14 0.00 0.03 0.00 -1.41 0.00 0.00 60.65 59.13 2dao s ILE 28 Cb 0.07 -1.00 -0.05 0.00 0.13 0.00 0.00 42.46 41.61 2dao s ILE 28 CO 0.82 0.00 0.08 0.00 -1.91 0.00 0.00 174.94 173.93 2dao s ARG 29 N 1.89 1.71 -0.38 3.50 1.70 -1.21 -3.72 118.95 122.44 2dao s ARG 29 Ca -0.09 -1.98 -0.25 0.00 -0.47 0.00 0.00 55.73 52.94 2dao s ARG 29 Cb -0.06 -0.76 0.02 0.00 -0.57 0.00 0.00 34.95 33.58 2dao s ARG 29 CO -0.19 -0.28 0.91 -1.58 -1.08 0.00 0.00 175.30 173.08 2dao s TRP 30 N -3.31 3.05 -0.01 5.89 0.52 -1.26 -3.05 118.94 120.78 2dao s TRP 30 Ca 0.33 0.68 -0.21 0.00 0.02 0.00 0.00 56.10 56.91 2dao s TRP 30 Cb 0.07 -3.68 -0.12 0.00 -1.15 0.00 0.00 33.47 28.60 2dao s TRP 30 CO 0.15 -0.86 0.89 0.93 0.02 0.00 0.00 176.95 178.08 2dao h GLU 31 N 8.58 -0.73 -2.70 4.98 4.39 -0.17 -3.42 114.58 125.52 2dao h GLU 31 Ca -0.23 0.05 -0.60 0.00 0.34 0.00 0.00 59.36 58.92 2dao h GLU 31 Cb 1.08 0.17 -0.39 0.00 -0.10 0.00 0.00 28.75 29.50 2dao h GLU 31 CO 0.98 -0.49 -0.82 -0.51 -1.16 0.00 0.00 179.01 177.01 2dao s ASP 32 N -4.55 2.94 0.38 1.42 1.01 -0.72 -4.97 116.67 112.17 2dao s ASP 32 Ca -0.11 -2.70 0.17 0.00 0.71 0.00 0.00 52.55 50.62 2dao s ASP 32 Cb 0.01 -0.71 1.06 0.00 1.01 0.00 0.00 42.92 44.29 2dao s ASP 32 CO 0.33 -0.24 1.76 0.11 0.21 0.00 0.00 175.17 177.34 2dao h LYS 33 N 6.43 0.42 -0.90 8.23 1.79 -1.81 0.22 116.57 130.94 2dao h LYS 33 Ca 0.10 -0.03 0.17 0.00 -2.18 0.00 0.00 60.65 58.71 2dao h LYS 33 Cb 0.92 -0.09 -0.10 0.00 -1.58 0.00 0.00 32.23 31.38 2dao h LYS 33 CO 0.40 0.28 0.48 1.05 -1.08 0.00 0.00 179.45 180.57 2dao h GLU 34 N 0.43 0.61 -0.32 3.15 4.11 -1.95 -0.78 114.58 119.83 2dao h GLU 34 Ca 0.61 -0.04 -0.14 0.00 0.07 0.00 0.00 59.36 59.86 2dao h GLU 34 Cb 1.47 -0.14 -0.09 0.00 0.50 0.00 0.00 28.75 30.49 2dao h GLU 34 CO -0.34 0.41 -0.08 0.43 0.07 0.00 0.00 179.01 179.49 2dao n SER 35 N -4.87 2.62 -4.19 3.06 7.64 0.61 -4.97 113.62 113.53 2dao n SER 35 Ca 0.19 -3.66 -0.38 0.00 1.01 0.00 0.00 58.87 56.03 2dao n SER 35 Cb 0.50 -0.61 -0.04 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 -1.05 -0.59 -4.08 1.43 4.76 -0.24 -4.25 118.16 114.13 2dao n LYS 36 Ca 0.31 0.06 -0.34 0.00 -2.87 0.00 0.00 58.31 55.46 2dao n LYS 36 Cb 0.99 -2.95 -0.11 0.00 -1.84 0.00 0.00 35.03 31.12 2dao n LYS 36 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2dao s ILE 37 N -3.98 4.53 0.24 -0.18 1.01 -0.58 -1.43 121.20 120.82 2dao s ILE 37 Ca 0.23 -0.12 0.09 0.00 0.00 0.00 0.00 60.65 60.85 2dao s ILE 37 Cb -0.13 -3.04 -0.05 0.00 0.01 0.00 0.00 42.46 39.25 2dao s ILE 37 CO 0.97 0.46 -0.17 0.72 0.00 0.00 0.00 174.94 176.92 2dao s PHE 38 N 0.47 1.95 -0.09 3.97 -0.71 -0.60 0.59 117.98 123.57 2dao s PHE 38 Ca 0.02 -0.48 -0.05 0.00 -1.04 0.00 0.00 56.93 55.38 2dao s PHE 38 Cb -0.13 -0.88 0.04 0.00 -1.21 0.00 0.00 43.02 40.84 2dao s PHE 38 CO 0.01 0.51 0.21 0.50 -1.34 0.00 0.00 175.22 175.11 2dao s ARG 39 N -3.59 0.18 -0.81 1.99 3.52 -1.17 -2.17 118.95 116.90 2dao s ARG 39 Ca 0.26 0.43 -0.25 0.00 -0.13 0.00 0.00 55.73 56.04 2dao s ARG 39 Cb -0.02 -0.09 0.01 0.00 -1.56 0.00 0.00 34.95 33.28 2dao s ARG 39 CO 0.10 -0.14 1.59 0.42 -0.81 0.00 0.00 175.30 176.47 2dao s ILE 40 N 0.99 3.63 0.33 4.11 1.01 -1.23 -3.47 121.20 126.57 2dao s ILE 40 Ca -0.07 -0.08 0.12 0.00 0.00 0.00 0.00 60.65 60.62 2dao s ILE 40 Cb -0.09 -4.53 0.33 0.00 0.01 0.00 0.00 42.46 38.17 2dao s ILE 40 CO -0.06 -1.47 1.71 0.58 0.00 0.00 0.00 174.94 175.70 2dao h VAL 41 N 6.67 0.45 -1.97 2.92 2.07 -0.94 -3.37 116.25 122.09 2dao h VAL 41 Ca -0.09 -0.16 -0.19 0.00 0.82 0.00 0.00 66.70 67.08 2dao h VAL 41 Cb 1.06 -0.07 -0.31 0.00 -1.52 0.00 0.00 31.29 30.46 2dao h VAL 41 CO 1.29 0.09 -0.52 -1.81 0.02 0.00 0.00 177.57 176.64 2dao s ASP 42 N -5.09 0.51 0.16 0.57 1.01 -1.00 -5.01 116.67 107.81 2dao s ASP 42 Ca -0.10 0.02 -0.08 0.00 0.71 0.00 0.00 52.55 53.09 2dao s ASP 42 Cb 0.28 0.98 0.02 0.00 1.01 0.00 0.00 42.92 45.21 2dao s ASP 42 CO 0.80 -0.32 1.50 1.55 0.21 0.00 0.00 175.17 178.91 2dao h PRO 43 N 8.20 0.84 -0.15 8.23 0.13 -1.88 0.11 132.00 147.49 2dao h PRO 43 Ca -0.17 -0.44 -0.08 0.00 -0.87 0.00 0.00 66.00 64.43 2dao h PRO 43 Cb 1.14 0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 2dao h PRO 43 CO 0.28 1.08 -0.26 -0.97 -0.23 0.00 0.00 178.00 177.91 2dao h ASN 44 N 0.69 0.27 0.37 1.44 -0.73 -1.96 0.38 115.58 116.04 2dao h ASN 44 Ca 0.06 -0.08 -0.32 0.00 1.87 0.00 0.00 56.30 57.82 2dao h ASN 44 Cb 0.97 -0.07 -0.02 0.00 0.27 0.00 0.00 38.32 39.47 2dao h ASN 44 CO 0.09 0.54 -1.69 1.23 -0.37 0.00 0.00 177.43 177.23 2dao h GLY 45 N 0.99 0.24 0.38 1.57 0.00 -1.96 -3.36 103.07 100.93 2dao h GLY 45 Ca 0.04 -0.62 -0.00 0.00 0.00 0.00 0.00 47.33 46.75 2dao h GLY 45 CO 0.04 0.54 -0.04 -2.00 0.00 0.00 0.00 176.54 175.08 2dao h LEU 46 N 0.06 -0.11 -0.99 3.11 5.85 -0.71 -3.25 115.31 119.27 2dao h LEU 46 Ca -0.30 -0.47 0.34 0.00 0.84 0.00 0.00 57.88 58.29 2dao h LEU 46 Cb 2.02 0.03 -0.18 0.00 0.37 0.00 0.00 40.66 42.90 2dao h LEU 46 CO 0.13 0.47 0.33 0.00 -0.34 0.00 0.00 178.44 179.03 2dao h ALA 47 N 0.01 1.72 -0.95 1.25 0.00 -1.11 0.84 119.26 121.03 2dao h ALA 47 Ca -0.01 0.29 0.22 0.00 0.00 0.00 0.00 54.91 55.40 2dao h ALA 47 Cb 0.57 0.41 -0.12 0.00 0.00 0.00 0.00 17.79 18.65 2dao h ALA 47 CO 0.02 -0.75 0.50 0.00 0.00 0.00 0.00 179.25 179.02 2dao h ARG 48 N 0.04 0.52 -0.06 0.00 3.08 -1.70 0.16 114.38 116.43 2dao h ARG 48 Ca 0.73 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.74 2dao h ARG 48 Cb 1.75 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 31.68 2dao h ARG 48 CO -0.81 0.34 -0.01 -0.07 -1.07 0.00 0.00 179.97 178.36 2dao h LEU 49 N 0.53 0.11 -1.57 3.04 3.38 0.55 0.35 115.31 121.71 2dao h LEU 49 Ca 0.59 -0.35 0.02 0.00 0.09 0.00 0.00 57.88 58.23 2dao h LEU 49 Cb 1.08 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.77 2dao h LEU 49 CO -0.48 0.43 0.32 -0.25 0.09 0.00 0.00 178.44 178.55 2dao h TRP 50 N -0.21 0.55 0.00 1.13 2.91 -0.97 -2.24 115.95 117.11 2dao h TRP 50 Ca 0.02 0.01 -0.23 0.00 1.13 0.00 0.00 58.89 59.82 2dao h TRP 50 Cb 0.38 -0.18 -0.04 0.00 -0.51 0.00 0.00 29.16 28.81 2dao h TRP 50 CO 0.04 0.33 -1.26 0.78 -1.03 0.00 0.00 178.44 177.31 2dao h GLY 51 N 0.58 0.00 -0.06 2.65 0.00 -0.61 -3.23 103.07 102.39 2dao h GLY 51 Ca 0.19 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.52 2dao h GLY 51 CO -0.04 0.00 -0.10 -0.57 0.00 0.00 0.00 176.54 175.82 2dao h ASN 52 N 0.00 -0.34 -0.51 0.19 -1.24 0.35 0.24 115.58 114.28 2dao h ASN 52 Ca -0.12 0.04 -0.03 0.00 0.71 0.00 0.00 56.30 56.91 2dao h ASN 52 Cb 1.83 0.14 -0.03 0.00 0.73 0.00 0.00 38.32 40.99 2dao h ASN 52 CO 0.10 -0.08 0.23 1.12 -1.29 0.00 0.00 177.43 177.51 2dao h HIS 53 N -0.08 0.80 0.00 0.67 2.07 -1.74 -0.84 115.15 116.02 2dao h HIS 53 Ca 0.01 -0.04 0.00 0.00 -2.85 0.00 0.00 60.37 57.49 2dao h HIS 53 Cb 0.11 -0.25 0.00 0.00 2.57 0.00 0.00 27.41 29.85 2dao h HIS 53 CO -0.58 0.61 0.00 1.17 -3.07 0.00 0.00 177.93 176.07 2dao n LYS 54 N -4.34 0.30 -3.63 5.12 3.00 -0.72 -4.83 118.16 113.06 2dao n LYS 54 Ca 0.05 0.07 -0.24 0.00 -0.00 0.00 0.00 58.31 58.18 2dao n LYS 54 Cb 0.16 -1.50 0.07 0.00 0.00 0.00 0.00 35.03 33.76 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 -1.11 -5.59 -3.58 3.14 3.02 0.53 -4.95 115.26 106.71 2dao n ASN 55 Ca 0.08 -0.59 -0.27 0.00 -0.03 0.00 0.00 54.58 53.77 2dao n ASN 55 Cb 0.06 -4.87 -0.10 0.00 -0.61 0.00 0.00 39.78 34.27 2dao n ASN 55 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 2dao n ARG 56 N -4.86 1.74 -0.34 3.52 3.00 0.55 -4.93 116.66 115.34 2dao n ARG 56 Ca -0.03 -4.24 0.30 0.00 -0.00 0.00 0.00 57.85 53.88 2dao n ARG 56 Cb 0.57 -2.07 0.63 0.00 0.00 0.00 0.00 32.46 31.58 2dao n ARG 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2dao h THR 57 N 3.71 0.42 -0.71 5.15 1.03 -1.91 0.53 112.91 121.11 2dao h THR 57 Ca 0.17 -0.07 -0.45 0.00 -0.01 0.00 0.00 66.41 66.06 2dao h THR 57 Cb 0.75 0.21 -0.21 0.00 -1.07 0.00 0.00 68.15 67.83 2dao h THR 57 CO 0.69 0.04 0.58 0.59 -0.01 0.00 0.00 175.52 177.40 2dao n ASN 58 N -4.45 5.97 -4.61 0.00 3.02 -1.26 -4.92 115.26 109.01 2dao n ASN 58 Ca 0.27 -3.32 -0.43 0.00 -0.03 0.00 0.00 54.58 51.07 2dao n ASN 58 Cb 1.11 -0.94 -0.02 0.00 -0.61 0.00 0.00 39.78 39.32 2dao n ASN 58 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 2dao s MET 59 N -2.62 3.76 0.51 3.52 -2.45 0.18 -5.02 119.30 117.19 2dao s MET 59 Ca 0.45 0.76 0.08 0.00 -1.25 0.00 0.00 55.69 55.72 2dao s MET 59 Cb 0.36 -3.90 0.04 0.00 1.25 0.00 0.00 34.83 32.58 2dao s MET 59 CO 0.02 -1.32 0.56 -0.08 1.05 0.00 0.00 175.02 175.25 2dao s THR 60 N 4.50 2.24 0.03 10.11 -1.32 -1.26 -4.47 115.64 125.48 2dao s THR 60 Ca 0.50 -1.21 -0.17 0.00 -1.21 0.00 0.00 61.69 59.61 2dao s THR 60 Cb -0.10 -2.45 -0.30 0.00 -1.51 0.00 0.00 72.50 68.14 2dao s THR 60 CO 0.29 0.00 1.06 0.22 -2.21 0.00 0.00 174.62 173.97 2dao h TYR 61 N 0.58 0.90 -0.72 9.09 3.20 -1.95 -2.96 116.97 125.11 2dao h TYR 61 Ca -0.36 -0.58 0.16 0.00 3.14 0.00 0.00 58.73 61.10 2dao h TYR 61 Cb 1.29 -0.07 -0.12 0.00 1.54 0.00 0.00 36.73 39.37 2dao h TYR 61 CO 0.59 1.43 0.09 1.49 -1.64 0.00 0.00 178.16 180.12 2dao h GLU 62 N 0.11 0.18 0.00 1.82 4.57 -1.98 0.74 114.58 120.01 2dao h GLU 62 Ca -0.18 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.99 2dao h GLU 62 Cb 1.83 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 30.38 2dao h GLU 62 CO 0.22 0.12 0.00 0.36 -1.18 0.00 0.00 179.01 178.52 2dao n LYS 63 N -5.24 0.23 -0.04 1.92 2.85 -1.25 -3.63 118.16 113.01 2dao n LYS 63 Ca 0.13 0.21 -0.00 0.00 -1.05 0.00 0.00 58.31 57.59 2dao n LYS 63 Cb 0.45 -1.77 -0.00 0.00 -0.65 0.00 0.00 35.03 33.05 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 -0.42 -1.58 4.05 0.48 -3.33 114.93 114.14 2dao h MET 64 Ca 0.00 0.00 0.12 0.00 -0.28 0.00 0.00 59.70 59.54 2dao h MET 64 Cb 0.68 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.47 2dao h MET 64 CO 0.00 0.00 0.74 0.66 0.23 0.00 0.00 176.91 178.54 2dao h SER 65 N -0.67 0.00 -0.83 1.39 4.64 -0.74 -2.23 113.55 115.10 2dao h SER 65 Ca 0.00 0.00 0.08 0.00 -0.47 0.00 0.00 61.79 61.40 2dao h SER 65 Cb 0.05 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 62.04 2dao h SER 65 CO 0.00 0.00 -0.57 0.03 -0.87 0.00 0.00 176.83 175.42 2dao h ARG 66 N 0.00 -0.09 -0.07 4.77 2.47 -1.67 -1.98 114.38 117.82 2dao h ARG 66 Ca 0.20 0.01 0.01 0.00 -1.26 0.00 0.00 59.98 58.93 2dao h ARG 66 Cb 1.68 0.02 -0.02 0.00 -1.65 0.00 0.00 29.97 30.00 2dao h ARG 66 CO -0.00 -0.06 -0.17 0.00 0.56 0.00 0.00 179.97 180.29 2dao h ALA 67 N 0.33 -0.54 -0.72 0.04 0.00 -1.63 -1.25 119.26 115.49 2dao h ALA 67 Ca 0.13 -0.01 0.21 0.00 0.00 0.00 0.00 54.91 55.24 2dao h ALA 67 Cb 0.45 0.75 -0.13 0.00 0.00 0.00 0.00 17.79 18.85 2dao h ALA 67 CO -0.84 -0.61 0.05 1.28 0.00 0.00 0.00 179.25 179.13 2dao n LEU 68 N -3.49 -0.05 0.34 0.00 7.99 -0.83 0.08 117.00 121.03 2dao n LEU 68 Ca -0.02 1.22 -0.15 0.00 -0.01 0.00 0.00 56.01 57.06 2dao n LEU 68 Cb 0.12 -0.46 -0.08 0.00 -0.11 0.00 0.00 43.42 42.89 2dao n LEU 68 CO 0.02 -1.25 0.53 -0.09 -1.51 0.00 0.00 177.39 175.08 2dao h ARG 69 N 0.00 -0.90 -1.27 3.23 1.12 -0.54 -0.43 114.38 115.59 2dao h ARG 69 Ca 0.46 0.06 0.40 0.00 -1.11 0.00 0.00 59.98 59.78 2dao h ARG 69 Cb 0.97 0.20 -0.11 0.00 -0.01 0.00 0.00 29.97 31.02 2dao h ARG 69 CO -0.67 -0.60 0.83 1.25 -3.11 0.00 0.00 179.97 177.67 2dao h HIS 70 N -0.93 0.51 -0.10 2.20 2.76 0.13 0.89 115.15 120.61 2dao h HIS 70 Ca -0.08 0.02 -0.22 0.00 -2.20 0.00 0.00 60.37 57.89 2dao h HIS 70 Cb 0.74 -0.13 0.01 0.00 1.55 0.00 0.00 27.41 29.58 2dao h HIS 70 CO -0.04 -0.13 -0.81 1.88 -1.30 0.00 0.00 177.93 177.54 2dao h TYR 71 N 0.15 0.88 -0.96 5.26 0.05 -0.85 -3.24 116.97 118.26 2dao h TYR 71 Ca 0.76 -0.40 0.31 0.00 0.05 0.00 0.00 58.73 59.44 2dao h TYR 71 Cb 2.35 -0.13 -0.16 0.00 1.01 0.00 0.00 36.73 39.80 2dao h TYR 71 CO -0.00 1.21 0.37 1.88 -1.05 0.00 0.00 178.16 180.57 2dao h TYR 72 N 0.42 0.57 -0.12 4.88 0.05 0.25 1.37 116.97 124.40 2dao h TYR 72 Ca -0.06 0.05 -0.08 0.00 0.05 0.00 0.00 58.73 58.69 2dao h TYR 72 Cb 1.42 -0.09 -0.01 0.00 1.01 0.00 0.00 36.73 39.06 2dao h TYR 72 CO 0.07 -0.29 -0.29 0.87 -1.05 0.00 0.00 178.16 177.47 2dao h LYS 73 N 0.17 0.22 0.00 4.88 1.57 -1.57 -1.94 116.57 119.90 2dao h LYS 73 Ca 0.68 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 59.38 2dao h LYS 73 Cb 1.54 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.83 2dao h LYS 73 CO -0.70 0.50 0.00 1.28 -0.57 0.00 0.00 179.45 179.96 2dao n LEU 74 N -4.13 0.00 -3.02 2.94 4.77 0.47 -4.85 117.00 113.17 2dao n LEU 74 Ca -0.01 0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 55.79 2dao n LEU 74 Cb 0.39 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.55 2dao n LEU 74 CO 0.40 0.00 0.17 0.59 -1.33 0.00 0.00 177.39 177.22 2dao n ASN 75 N -0.89 -4.47 -0.08 -1.43 5.03 -0.73 -4.94 115.26 107.75 2dao n ASN 75 Ca 0.13 -0.46 -0.15 0.00 0.87 0.00 0.00 54.58 54.97 2dao n ASN 75 Cb 0.06 -4.24 -0.06 0.00 -1.02 0.00 0.00 39.78 34.52 2dao n ASN 75 CO 0.00 0.00 0.00 -0.38 -1.83 0.00 0.00 177.26 175.05 2dao n ILE 76 N -4.25 0.87 -4.25 2.41 5.41 -1.21 -4.70 119.36 113.65 2dao n ILE 76 Ca -0.07 -0.26 -0.17 0.00 1.00 0.00 0.00 62.75 63.25 2dao n ILE 76 Cb 0.58 -1.49 -0.14 0.00 -0.71 0.00 0.00 39.64 37.88 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 -2.30 0.60 -0.10 1.39 1.01 -1.26 -3.72 121.20 116.82 2dao s ILE 77 Ca -0.22 -0.44 0.04 0.00 0.00 0.00 0.00 60.65 60.03 2dao s ILE 77 Cb 0.07 -0.53 0.00 0.00 0.01 0.00 0.00 42.46 42.02 2dao s ILE 77 CO 0.30 0.09 -0.24 0.00 0.00 0.00 0.00 174.94 175.10 2dao s ARG 78 N -0.40 3.01 -0.40 2.79 1.70 -1.19 -3.95 118.95 120.52 2dao s ARG 78 Ca 0.01 -0.87 -0.22 0.00 -0.47 0.00 0.00 55.73 54.19 2dao s ARG 78 Cb -0.04 -2.29 0.01 0.00 -0.57 0.00 0.00 34.95 32.07 2dao s ARG 78 CO -0.00 0.16 0.73 0.21 -1.08 0.00 0.00 175.30 175.32 2dao s LYS 79 N 0.39 3.57 0.29 3.89 2.20 -1.26 -2.50 119.74 126.31 2dao s LYS 79 Ca -0.18 0.03 -0.30 0.00 -0.36 0.00 0.00 55.97 55.16 2dao s LYS 79 Cb -0.18 -3.87 -0.12 0.00 -1.51 0.00 0.00 37.83 32.16 2dao s LYS 79 CO 0.08 -0.92 1.62 0.39 -0.36 0.00 0.00 175.35 176.15 2dao n GLU 80 N 6.40 2.75 0.01 4.03 -0.58 -1.21 -4.94 120.64 127.11 2dao n GLU 80 Ca 0.01 0.98 -0.13 0.00 -0.42 0.00 0.00 57.16 57.60 2dao n GLU 80 Cb 0.48 -2.77 -0.09 0.00 -0.57 0.00 0.00 31.44 28.48 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 4.96 -0.07 -0.47 3.49 0.13 -1.95 -3.32 132.00 134.77 2dao h PRO 81 Ca -0.47 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 64.73 2dao h PRO 81 Cb 1.22 0.01 -0.09 0.00 0.13 0.00 0.00 31.00 32.27 2dao h PRO 81 CO 0.81 0.40 -0.50 0.78 -0.23 0.00 0.00 178.00 179.25 2dao h GLY 82 N -0.56 -0.76 -0.95 1.56 0.00 -2.02 -3.41 103.07 96.93 2dao h GLY 82 Ca -0.01 0.64 -0.46 0.00 0.00 0.00 0.00 47.33 47.51 2dao h GLY 82 CO 0.01 -0.14 0.30 1.20 0.00 0.00 0.00 176.54 177.91 2dao s GLN 83 N -5.74 1.93 0.00 4.80 -1.52 -1.25 -5.07 119.66 112.81 2dao s GLN 83 Ca -0.14 -0.21 0.00 0.00 -1.95 0.00 0.00 55.36 53.06 2dao s GLN 83 Cb 0.10 -2.08 0.00 0.00 -0.22 0.00 0.00 33.01 30.82 2dao s GLN 83 CO 0.64 -1.49 0.00 0.54 -0.25 0.00 0.00 175.29 174.73 2dao n ARG 84 N -3.13 0.00 -2.47 2.91 1.74 -1.26 -4.70 116.66 109.75 2dao n ARG 84 Ca 0.09 0.09 -0.42 0.00 -0.77 0.00 0.00 57.85 56.84 2dao n ARG 84 Cb 0.61 -0.51 0.01 0.00 -1.02 0.00 0.00 32.46 31.55 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 -2.13 6.99 -4.20 0.55 4.32 -1.26 -4.89 117.00 116.38 2dao n LEU 85 Ca 0.00 -4.94 -0.30 0.00 -0.02 0.00 0.00 56.01 50.75 2dao n LEU 85 Cb 0.00 -1.36 -0.17 0.00 -1.62 0.00 0.00 43.42 40.27 2dao n LEU 85 CO 0.00 1.69 -0.54 -0.22 -1.22 0.00 0.00 177.39 177.10 2dao s LEU 86 N -1.78 2.00 -0.06 2.23 1.98 -1.26 -3.50 118.68 118.29 2dao s LEU 86 Ca 0.40 -0.47 0.02 0.00 -2.89 0.00 0.00 54.13 51.18 2dao s LEU 86 Cb 0.11 -1.25 0.02 0.00 0.66 0.00 0.00 46.19 45.73 2dao s LEU 86 CO -0.00 0.18 -0.08 -0.36 -1.89 0.00 0.00 176.35 174.19 2dao s PHE 87 N 0.13 1.10 -0.27 5.38 0.08 -0.92 -3.29 117.98 120.19 2dao s PHE 87 Ca -0.10 -0.38 -0.03 0.00 0.12 0.00 0.00 56.93 56.54 2dao s PHE 87 Cb -0.15 -0.88 0.03 0.00 -0.57 0.00 0.00 43.02 41.46 2dao s PHE 87 CO 0.05 -0.24 -0.02 0.50 -0.10 0.00 0.00 175.22 175.41 2dao s ARG 88 N 0.84 2.75 -1.21 0.44 3.52 -1.04 -1.56 118.95 122.70 2dao s ARG 88 Ca -0.12 -1.05 -0.20 0.00 -0.13 0.00 0.00 55.73 54.23 2dao s ARG 88 Cb -0.15 -3.12 0.01 0.00 -1.56 0.00 0.00 34.95 30.14 2dao s ARG 88 CO 0.01 -0.48 1.78 -0.06 -0.81 0.00 0.00 175.30 175.74 2dao s PHE 89 N 1.33 2.45 0.03 5.12 0.08 -0.51 -3.18 117.98 123.31 2dao s PHE 89 Ca -0.01 -0.79 -0.16 0.00 0.12 0.00 0.00 56.93 56.09 2dao s PHE 89 Cb -0.18 -4.49 -0.08 0.00 -0.57 0.00 0.00 43.02 37.71 2dao s PHE 89 CO -0.02 -1.64 1.24 0.52 -0.10 0.00 0.00 175.22 175.22 2dao h MET 90 N 8.66 -0.49 -7.32 0.44 2.86 -1.85 -3.43 114.93 113.80 2dao h MET 90 Ca 0.33 0.03 -0.46 0.00 -2.06 0.00 0.00 59.70 57.55 2dao h MET 90 Cb 0.91 0.11 0.08 0.00 0.06 0.00 0.00 31.60 32.77 2dao h MET 90 CO 1.37 -0.32 0.24 0.21 1.06 0.00 0.00 176.91 179.47 2dao s LYS 91 N -4.25 2.14 0.05 1.72 2.20 -1.25 -5.06 119.74 115.29 2dao s LYS 91 Ca -0.08 -0.26 -0.16 0.00 -0.36 0.00 0.00 55.97 55.11 2dao s LYS 91 Cb 0.01 -2.16 -0.06 0.00 -1.51 0.00 0.00 37.83 34.12 2dao s LYS 91 CO 0.26 -1.29 0.48 -0.08 -0.36 0.00 0.00 175.35 174.36 2dao s THR 92 N -3.27 4.90 0.31 3.43 -1.32 -1.26 -4.99 115.64 113.43 2dao s THR 92 Ca 0.61 0.96 0.09 0.00 -1.21 0.00 0.00 61.69 62.14 2dao s THR 92 Cb -0.10 -3.78 0.03 0.00 -1.51 0.00 0.00 72.50 67.13 2dao s THR 92 CO 0.45 0.51 1.70 1.55 -2.21 0.00 0.00 174.62 176.62 2dao h PRO 93 N 4.45 0.10 0.00 7.08 0.13 -1.97 -2.69 132.00 139.10 2dao h PRO 93 Ca -0.50 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.57 2dao h PRO 93 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2dao h PRO 93 CO 0.63 0.56 0.00 -3.47 -0.23 0.00 0.00 178.00 175.49 2dao n ASP 94 N -3.97 0.63 -0.06 1.44 2.03 -1.26 -1.55 116.55 113.81 2dao n ASP 94 Ca -0.02 0.68 -0.06 0.00 0.52 0.00 0.00 54.79 55.92 2dao n ASP 94 Cb 0.51 -0.81 -0.04 0.00 -0.72 0.00 0.00 41.12 40.06 2dao n ASP 94 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 2dao h GLU 95 N 0.00 0.00 -0.68 -0.67 4.57 -1.82 -3.38 114.58 112.60 2dao h GLU 95 Ca 0.00 0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 58.13 2dao h GLU 95 Cb 0.28 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.85 2dao h GLU 95 CO 0.00 0.31 0.24 0.82 -1.18 0.00 0.00 179.01 179.19 2dao h ILE 96 N -1.00 1.25 -0.72 2.32 5.03 -1.59 -2.96 117.51 119.84 2dao h ILE 96 Ca -0.02 -0.82 0.29 0.00 -0.12 0.00 0.00 64.86 64.18 2dao h ILE 96 Cb 0.40 0.51 -0.13 0.00 -3.03 0.00 0.00 36.82 34.58 2dao h ILE 96 CO -0.01 0.32 0.34 0.23 -0.68 0.00 0.00 178.15 178.35 2dao n MET 97 N -4.35 -0.05 -3.69 2.37 2.81 -0.59 -3.41 117.12 110.20 2dao n MET 97 Ca 0.05 1.01 -0.28 0.00 -1.81 0.00 0.00 57.70 56.67 2dao n MET 97 Cb 0.20 -1.79 -0.16 0.00 -0.71 0.00 0.00 33.22 30.76 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 -4.70 3.04 0.00 7.83 1.04 -1.12 -4.97 113.70 114.83 2dao s SER 98 Ca -0.07 -0.95 0.00 0.00 0.48 0.00 0.00 55.95 55.41 2dao s SER 98 Cb 0.24 -0.54 0.00 0.00 0.10 0.00 0.00 66.02 65.82 2dao s SER 98 CO 0.57 -0.34 0.00 0.61 0.98 0.00 0.00 173.24 175.05 2dao n GLY 99 N 5.08 0.62 3.08 7.32 0.00 -1.22 -4.89 105.19 115.19 2dao n GLY 99 Ca -0.07 -0.65 -0.07 0.00 0.00 0.00 0.00 46.02 45.23 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 -0.56 0.38 0.04 1.61 6.06 -1.26 -4.63 118.95 120.59 2dao s ARG 100 Ca 0.00 0.79 -0.07 0.00 -2.50 0.00 0.00 55.73 53.95 2dao s ARG 100 Cb 0.00 -0.03 -0.02 0.00 0.06 0.00 0.00 34.95 34.96 2dao s ARG 100 CO 0.00 -0.51 0.82 2.41 -2.50 0.00 0.00 175.30 175.52 2dao n THR 101 N 5.39 -0.16 -2.98 4.11 -1.04 -1.26 -2.98 114.28 115.36 2dao n THR 101 Ca -0.05 1.26 -0.44 0.00 -2.04 0.00 0.00 64.05 62.78 2dao n THR 101 Cb 0.50 -1.62 -0.03 0.00 -1.82 0.00 0.00 70.33 67.36 2dao n THR 101 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2dao s ASP 102 N -3.79 6.43 -0.74 8.00 2.15 -1.26 -4.97 116.67 122.49 2dao s ASP 102 Ca -0.03 -1.69 -0.24 0.00 0.43 0.00 0.00 52.55 51.02 2dao s ASP 102 Cb 0.03 -2.37 -0.15 0.00 -0.30 0.00 0.00 42.92 40.12 2dao s ASP 102 CO 0.14 -1.14 2.41 0.54 -0.17 0.00 0.00 175.17 176.96 2dao n ARG 103 N 6.61 0.58 0.32 4.34 3.00 -1.16 -4.73 116.66 125.62 2dao n ARG 103 Ca 0.09 -0.38 0.20 0.00 -0.01 0.00 0.00 57.85 57.75 2dao n ARG 103 Cb 0.47 -3.03 1.06 0.00 0.00 0.00 0.00 32.46 30.96 2dao n ARG 103 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.63 179.00 2dao h LEU 104 N 19.02 0.00 -1.75 0.55 -0.00 -1.93 -1.93 115.31 129.26 2dao h LEU 104 Ca -0.08 0.00 0.28 0.00 -0.00 0.00 0.00 57.88 58.08 2dao h LEU 104 Cb 1.14 0.00 -0.06 0.00 -0.00 0.00 0.00 40.66 41.74 2dao h LEU 104 CO 1.18 0.00 0.70 -0.33 -0.00 0.00 0.00 178.44 179.99 2dao h GLU 105 N 0.00 0.16 -1.61 0.17 3.07 -1.97 0.31 114.58 114.72 2dao h GLU 105 Ca 0.01 -0.01 0.47 0.00 -0.50 0.00 0.00 59.36 59.33 2dao h GLU 105 Cb 0.21 -0.04 -0.07 0.00 -0.84 0.00 0.00 28.75 28.01 2dao h GLU 105 CO -0.00 0.11 1.15 1.25 -1.40 0.00 0.00 179.01 180.12 2dao h HIS 106 N 0.17 0.04 -0.20 4.33 2.76 -1.74 0.79 115.15 121.30 2dao h HIS 106 Ca 0.52 0.00 -0.11 0.00 -2.20 0.00 0.00 60.37 58.58 2dao h HIS 106 Cb 1.73 -0.01 -0.06 0.00 1.55 0.00 0.00 27.41 30.62 2dao h HIS 106 CO -0.00 -0.01 0.14 1.28 -1.30 0.00 0.00 177.93 178.04 2dao n LEU 107 N -4.08 4.25 0.36 0.26 7.99 0.10 -4.29 117.00 121.59 2dao n LEU 107 Ca 0.36 -2.13 -0.17 0.00 -0.01 0.00 0.00 56.01 54.06 2dao n LEU 107 Cb 1.66 -0.70 -0.09 0.00 -0.11 0.00 0.00 43.42 44.18 2dao n LEU 107 CO 0.42 0.73 0.56 -0.08 -1.51 0.00 0.00 177.39 177.51 2dao h GLU 108 N 0.44 -0.87 0.00 3.23 4.81 0.40 -3.34 114.58 119.25 2dao h GLU 108 Ca 0.13 0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.42 2dao h GLU 108 Cb 1.28 0.20 0.00 0.00 0.63 0.00 0.00 28.75 30.86 2dao h GLU 108 CO 0.25 -0.55 -0.54 -1.13 -0.73 0.00 0.00 179.01 176.31 2dao n SER 109 N -5.44 2.24 0.21 1.04 3.41 -1.26 -4.73 113.62 109.10 2dao n SER 109 Ca -0.13 -0.28 -0.15 0.00 -0.26 0.00 0.00 58.87 58.05 2dao n SER 109 Cb 0.38 1.03 -0.08 0.00 -0.26 0.00 0.00 64.21 65.28 2dao n SER 109 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 2dao h GLN 110 N 0.00 -0.50 -0.63 4.33 -0.00 -1.75 -3.11 115.11 113.45 2dao h GLN 110 Ca 0.00 0.03 0.13 0.00 -0.00 0.00 0.00 58.65 58.81 2dao h GLN 110 Cb 0.05 0.11 -0.12 0.00 0.00 0.00 0.00 27.48 27.52 2dao h GLN 110 CO 0.00 -0.25 -0.18 1.49 0.00 0.00 0.00 178.83 179.89 2dao h GLU 111 N -0.66 -0.02 -6.90 1.69 4.57 -1.85 -3.41 114.58 108.00 2dao h GLU 111 Ca -0.05 0.00 -0.57 0.00 -1.18 0.00 0.00 59.36 57.56 2dao h GLU 111 Cb 0.48 0.00 0.15 0.00 -0.16 0.00 0.00 28.75 29.22 2dao h GLU 111 CO 0.09 -0.01 0.33 1.28 -1.18 0.00 0.00 179.01 179.52 2dao n LEU 112 N -5.44 4.37 -4.81 1.64 4.77 -1.18 -4.94 117.00 111.41 2dao n LEU 112 Ca 0.07 0.91 -0.35 0.00 -0.03 0.00 0.00 56.01 56.61 2dao n LEU 112 Cb 0.34 -1.46 -0.07 0.00 -2.33 0.00 0.00 43.42 39.90 2dao n LEU 112 CO 0.04 -1.27 0.58 -0.55 -1.33 0.00 0.00 177.39 174.86 2dao s SER 113 N -1.05 7.07 -0.16 -1.43 0.15 -1.26 -4.61 113.70 112.40 2dao s SER 113 Ca 0.73 1.64 -0.03 0.00 0.70 0.00 0.00 55.95 58.98 2dao s SER 113 Cb -0.44 -2.51 0.00 0.00 -1.71 0.00 0.00 66.02 61.37 2dao s SER 113 CO 0.49 -0.17 0.13 0.61 1.20 0.00 0.00 173.24 175.49 2dao n GLY 114 N 0.03 -2.30 3.72 9.45 0.00 -1.26 -4.96 105.19 109.87 2dao n GLY 114 Ca 0.03 0.28 -0.42 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.20 4.35 -0.43 1.61 0.04 -1.26 -5.00 135.00 133.10 2dao s PRO 115 Ca 0.05 2.04 0.03 0.00 0.04 0.00 0.00 61.00 63.16 2dao s PRO 115 Cb -0.01 -3.25 0.12 0.00 0.04 0.00 0.00 34.50 31.40 2dao s PRO 115 CO 0.35 -0.38 0.19 -1.54 0.04 0.00 0.00 177.00 175.66 2dao s SER 116 N 0.93 4.18 0.11 6.66 1.04 -1.26 -5.00 113.70 120.36 2dao s SER 116 Ca 0.62 -2.55 -0.32 0.00 0.48 0.00 0.00 55.95 54.17 2dao s SER 116 Cb -0.36 -1.36 -0.12 0.00 0.10 0.00 0.00 66.02 64.28 2dao s SER 116 CO 0.32 -0.30 1.58 -1.28 0.98 0.00 0.00 173.24 174.54 2dao h SER 117 N 6.99 -1.29 0.00 7.02 0.87 -2.03 -3.54 113.55 121.57 2dao h SER 117 Ca -0.06 0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.64 2dao h SER 117 Cb 0.94 0.47 0.00 0.00 -0.44 0.00 0.00 62.40 63.37 2dao h SER 117 CO 0.57 -0.53 0.00 0.61 -0.53 0.00 0.00 176.83 176.95