#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 5.21 -0.66 1.61 1.04 -1.26 -5.05 113.70 114.59 2dao s SER 2 Ca 0.00 -1.54 -0.27 0.00 0.48 0.00 0.00 55.95 54.62 2dao s SER 2 Cb 0.00 -1.82 0.01 0.00 0.10 0.00 0.00 66.02 64.30 2dao s SER 2 CO 0.00 -0.41 1.53 -0.44 0.98 0.00 0.00 173.24 174.90 2dao s SER 3 N 1.60 5.80 -0.32 7.02 0.01 -1.26 -4.92 113.70 121.64 2dao s SER 3 Ca 0.01 -0.03 -0.01 0.00 1.31 0.00 0.00 55.95 57.23 2dao s SER 3 Cb -0.21 -2.55 0.13 0.00 0.21 0.00 0.00 66.02 63.60 2dao s SER 3 CO -0.01 -2.04 0.23 -0.83 0.41 0.00 0.00 173.24 171.01 2dao s GLY 4 N 5.58 0.31 0.03 3.44 0.00 -1.26 -4.96 107.32 110.46 2dao s GLY 4 Ca 0.50 -1.03 0.00 0.00 0.00 0.00 0.00 44.72 44.19 2dao s GLY 4 CO 0.19 2.34 0.00 -1.26 0.00 0.00 0.00 173.10 174.37 2dao n SER 5 N 4.84 0.03 -4.54 1.64 2.88 -1.26 -5.05 113.62 112.17 2dao n SER 5 Ca 0.02 0.06 -0.53 0.00 -1.33 0.00 0.00 58.87 57.08 2dao n SER 5 Cb 0.43 0.03 -0.07 0.00 -0.75 0.00 0.00 64.21 63.84 2dao n SER 5 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2dao n SER 6 N -2.78 2.27 0.00 -3.46 2.88 -1.26 -4.87 113.62 106.39 2dao n SER 6 Ca 0.00 0.69 0.00 0.00 -1.33 0.00 0.00 58.87 58.23 2dao n SER 6 Cb 0.14 -1.22 0.00 0.00 -0.75 0.00 0.00 64.21 62.38 2dao n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dao n GLY 7 N 5.69 1.40 3.44 0.46 0.00 -1.26 -5.16 105.19 109.75 2dao n GLY 7 Ca 0.36 -0.08 -0.33 0.00 0.00 0.00 0.00 46.02 45.96 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 0.01 0.98 1.12 0.00 1.81 -1.26 -5.15 118.95 116.47 2dao s ARG 9 Ca -0.03 -1.48 -0.19 0.00 -1.72 0.00 0.00 55.73 52.31 2dao s ARG 9 Cb -0.14 0.25 0.12 0.00 -0.45 0.00 0.00 34.95 34.72 2dao s ARG 9 CO 0.04 -0.29 0.02 1.28 -0.68 0.00 0.00 175.30 175.67 2dao n LEU 10 N -0.13 -2.26 0.00 2.53 4.32 -1.26 -4.80 117.00 115.39 2dao n LEU 10 Ca -0.04 -0.17 0.00 0.00 -0.02 0.00 0.00 56.01 55.78 2dao n LEU 10 Cb 0.64 -0.93 0.00 0.00 -1.62 0.00 0.00 43.42 41.51 2dao n LEU 10 CO 0.31 -3.10 0.00 -0.11 -1.22 0.00 0.00 177.39 173.28 2dao n LEU 11 N -1.71 0.21 -0.22 2.23 7.94 -1.26 -2.27 117.00 121.92 2dao n LEU 11 Ca 0.01 0.36 0.19 0.00 -1.11 0.00 0.00 56.01 55.47 2dao n LEU 11 Cb 0.61 -0.46 0.35 0.00 0.53 0.00 0.00 43.42 44.46 2dao n LEU 11 CO 0.50 -0.46 0.67 -2.67 -1.11 0.00 0.00 177.39 174.33 2dao n TRP 12 N -1.98 0.71 0.01 1.96 4.27 -1.26 0.23 117.44 121.38 2dao n TRP 12 Ca 0.00 0.80 -0.18 0.00 -3.89 0.00 0.00 57.50 54.23 2dao n TRP 12 Cb 0.00 -1.18 -0.12 0.00 -1.36 0.00 0.00 31.31 28.65 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 0.49 -1.11 -0.67 3.58 -1.96 -3.23 116.42 113.52 2dao h ASP 13 Ca 0.54 -0.80 0.32 0.00 0.42 0.00 0.00 57.03 57.51 2dao h ASP 13 Cb 1.37 -0.15 -0.04 0.00 1.72 0.00 0.00 39.33 42.22 2dao h ASP 13 CO -0.54 1.23 1.24 0.00 -2.88 0.00 0.00 179.24 178.29 2dao n TYR 14 N -4.23 0.00 0.15 0.28 9.36 0.62 -0.88 117.16 122.46 2dao n TYR 14 Ca -0.11 0.00 -0.07 0.00 3.32 0.00 0.00 57.90 61.04 2dao n TYR 14 Cb 0.69 -0.28 -0.03 0.00 -0.63 0.00 0.00 39.34 39.08 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 -0.92 2.97 2.07 -1.53 -3.15 116.25 115.69 2dao h VAL 15 Ca 0.53 0.00 0.08 0.00 0.82 0.00 0.00 66.70 68.13 2dao h VAL 15 Cb 3.01 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 32.67 2dao h VAL 15 CO -0.01 0.00 -0.54 0.00 0.02 0.00 0.00 177.57 177.04 2dao n TYR 16 N -3.28 -0.40 -0.24 1.57 9.36 -0.06 0.61 117.16 124.71 2dao n TYR 16 Ca -0.05 1.15 0.24 0.00 3.32 0.00 0.00 57.90 62.56 2dao n TYR 16 Cb 0.17 -0.57 0.44 0.00 -0.63 0.00 0.00 39.34 38.75 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 -5.08 -0.05 0.09 2.98 6.02 -1.21 -0.07 117.38 120.06 2dao n GLN 17 Ca 0.02 1.05 -0.06 0.00 -0.01 0.00 0.00 57.00 58.00 2dao n GLN 17 Cb 0.24 -1.88 -0.03 0.00 1.02 0.00 0.00 30.24 29.59 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 -0.27 -0.83 1.08 3.38 0.21 -3.25 115.31 115.62 2dao h LEU 18 Ca 0.64 -0.04 0.16 0.00 0.09 0.00 0.00 57.88 58.73 2dao h LEU 18 Cb 1.68 0.07 -0.15 0.00 0.09 0.00 0.00 40.66 42.34 2dao h LEU 18 CO -0.59 0.20 -0.24 0.18 0.09 0.00 0.00 178.44 178.09 2dao n LEU 19 N -4.99 -0.36 -0.17 1.67 7.99 0.89 0.13 117.00 122.16 2dao n LEU 19 Ca -0.05 1.44 -0.01 0.00 -0.01 0.00 0.00 56.01 57.38 2dao n LEU 19 Cb 0.15 -0.41 0.08 0.00 -0.11 0.00 0.00 43.42 43.13 2dao n LEU 19 CO 0.12 -1.36 0.91 -1.28 -1.51 0.00 0.00 177.39 174.27 2dao h SER 20 N 0.00 -0.01 -3.50 -1.43 0.87 -1.42 -3.37 113.55 104.69 2dao h SER 20 Ca 0.37 0.10 -0.56 0.00 -1.23 0.00 0.00 61.79 60.46 2dao h SER 20 Cb 0.58 0.14 -0.06 0.00 -0.44 0.00 0.00 62.40 62.61 2dao h SER 20 CO -0.85 0.02 0.96 -0.62 -0.53 0.00 0.00 176.83 175.81 2dao s ASP 21 N -5.31 6.60 0.22 6.23 2.15 0.35 -4.90 116.67 122.01 2dao s ASP 21 Ca -0.13 0.70 -0.09 0.00 0.43 0.00 0.00 52.55 53.45 2dao s ASP 21 Cb 0.16 -2.55 0.18 0.00 -0.30 0.00 0.00 42.92 40.42 2dao s ASP 21 CO 0.73 -1.24 1.89 0.77 -0.17 0.00 0.00 175.17 177.15 2dao h SER 22 N 9.47 0.91 -1.48 -0.34 4.64 -1.76 -2.08 113.55 122.92 2dao h SER 22 Ca -0.24 -0.02 0.43 0.00 -0.47 0.00 0.00 61.79 61.49 2dao h SER 22 Cb 1.07 -0.22 -0.06 0.00 -0.31 0.00 0.00 62.40 62.88 2dao h SER 22 CO 1.10 0.66 1.25 0.03 -0.87 0.00 0.00 176.83 178.99 2dao h ARG 23 N 1.08 0.00 -0.98 4.77 3.08 -1.90 1.86 114.38 122.29 2dao h ARG 23 Ca 0.30 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.75 2dao h ARG 23 Cb -0.11 0.00 -0.30 0.00 0.08 0.00 0.00 29.97 29.65 2dao h ARG 23 CO -0.07 0.00 0.73 0.66 -1.07 0.00 0.00 179.97 180.22 2dao n TYR 24 N -3.69 3.11 -0.00 3.04 4.02 -0.78 -4.57 117.16 118.29 2dao n TYR 24 Ca 0.33 -2.49 -0.08 0.00 -0.01 0.00 0.00 57.90 55.64 2dao n TYR 24 Cb 1.70 -1.20 -0.07 0.00 -0.02 0.00 0.00 39.34 39.76 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 1.56 -0.10 -0.87 -0.72 5.08 0.28 -2.09 114.58 117.72 2dao h GLU 25 Ca 0.61 0.01 0.25 0.00 -1.00 0.00 0.00 59.36 59.23 2dao h GLU 25 Cb 1.70 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.94 2dao h GLU 25 CO 1.35 0.34 0.77 -0.91 -1.00 0.00 0.00 179.01 179.56 2dao h ASN 26 N -0.96 0.00 0.12 1.42 2.35 -1.80 0.13 115.58 116.84 2dao h ASN 26 Ca -0.01 0.00 -0.28 0.00 -0.55 0.00 0.00 56.30 55.46 2dao h ASN 26 Cb 0.49 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.86 2dao h ASN 26 CO 0.02 0.00 -1.42 -0.26 -1.65 0.00 0.00 177.43 174.12 2dao h PHE 27 N 0.00 0.46 -2.14 1.19 0.04 -1.89 -3.38 116.94 111.23 2dao h PHE 27 Ca 0.41 -0.34 -0.00 0.00 2.80 0.00 0.00 57.97 60.84 2dao h PHE 27 Cb 1.96 -0.02 -0.22 0.00 2.20 0.00 0.00 35.95 39.87 2dao h PHE 27 CO 0.00 1.55 -0.06 -1.50 -0.60 0.00 0.00 178.31 177.70 2dao s ILE 28 N -2.48 -0.12 0.31 -0.55 2.07 0.46 -0.32 121.20 120.58 2dao s ILE 28 Ca -0.19 0.02 0.03 0.00 -1.41 0.00 0.00 60.65 59.10 2dao s ILE 28 Cb 0.04 -0.92 -0.04 0.00 0.13 0.00 0.00 42.46 41.67 2dao s ILE 28 CO 0.77 0.01 0.11 0.00 -1.91 0.00 0.00 174.94 173.92 2dao s ARG 29 N 1.74 1.62 -0.23 3.50 1.70 -1.23 -4.00 118.95 122.05 2dao s ARG 29 Ca -0.09 -1.92 -0.25 0.00 -0.47 0.00 0.00 55.73 53.00 2dao s ARG 29 Cb -0.06 -0.41 -0.00 0.00 -0.57 0.00 0.00 34.95 33.90 2dao s ARG 29 CO -0.18 -0.35 0.86 -1.58 -1.08 0.00 0.00 175.30 172.96 2dao s TRP 30 N -3.51 3.34 -0.09 5.89 0.52 -1.26 -3.01 118.94 120.81 2dao s TRP 30 Ca 0.34 1.20 -0.12 0.00 0.02 0.00 0.00 56.10 57.54 2dao s TRP 30 Cb 0.06 -3.07 -0.10 0.00 -1.15 0.00 0.00 33.47 29.21 2dao s TRP 30 CO 0.15 -0.38 0.42 0.93 0.02 0.00 0.00 176.95 178.09 2dao h GLU 31 N 7.58 -0.11 -2.64 4.98 4.39 0.40 -3.43 114.58 125.75 2dao h GLU 31 Ca -0.24 0.01 -0.60 0.00 0.34 0.00 0.00 59.36 58.87 2dao h GLU 31 Cb 1.10 0.02 -0.39 0.00 -0.10 0.00 0.00 28.75 29.38 2dao h GLU 31 CO 0.88 0.21 -0.84 -0.51 -1.16 0.00 0.00 179.01 177.59 2dao s ASP 32 N -5.60 2.69 0.52 1.42 1.11 -0.61 -4.97 116.67 111.24 2dao s ASP 32 Ca -0.08 -2.92 0.37 0.00 0.18 0.00 0.00 52.55 50.10 2dao s ASP 32 Cb -0.00 -0.73 1.53 0.00 1.07 0.00 0.00 42.92 44.79 2dao s ASP 32 CO 0.27 -0.20 1.75 0.11 1.18 0.00 0.00 175.17 178.28 2dao h LYS 33 N 6.10 0.05 -0.81 8.23 1.79 -1.84 0.65 116.57 130.74 2dao h LYS 33 Ca 0.15 -0.00 0.20 0.00 -2.18 0.00 0.00 60.65 58.82 2dao h LYS 33 Cb 0.90 -0.01 -0.14 0.00 -1.58 0.00 0.00 32.23 31.40 2dao h LYS 33 CO 0.42 0.03 0.11 0.93 -1.08 0.00 0.00 179.45 179.86 2dao h GLU 34 N 0.05 0.15 -0.24 3.15 5.08 -1.95 -1.06 114.58 119.77 2dao h GLU 34 Ca 0.65 -0.01 -0.17 0.00 -1.00 0.00 0.00 59.36 58.83 2dao h GLU 34 Cb 2.45 -0.03 -0.13 0.00 0.50 0.00 0.00 28.75 31.54 2dao h GLU 34 CO -0.07 0.10 -0.56 0.43 -1.00 0.00 0.00 179.01 177.91 2dao n SER 35 N -5.29 2.70 -4.13 1.42 7.64 0.16 -4.97 113.62 111.14 2dao n SER 35 Ca 0.17 -3.86 -0.32 0.00 1.01 0.00 0.00 58.87 55.87 2dao n SER 35 Cb 0.56 -0.48 -0.05 0.00 -1.01 0.00 0.00 64.21 63.23 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 -1.00 -1.52 -3.74 1.43 5.02 -0.40 -4.40 118.16 113.55 2dao n LYS 36 Ca 0.27 0.20 -0.35 0.00 -2.02 0.00 0.00 58.31 56.41 2dao n LYS 36 Cb 0.79 -3.71 -0.09 0.00 -0.02 0.00 0.00 35.03 32.00 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 -4.07 5.30 0.31 -0.18 1.01 -0.84 -2.95 121.20 119.79 2dao s ILE 37 Ca 0.11 0.15 0.05 0.00 0.00 0.00 0.00 60.65 60.97 2dao s ILE 37 Cb -0.06 -3.43 -0.06 0.00 0.01 0.00 0.00 42.46 38.92 2dao s ILE 37 CO 0.95 0.41 0.00 0.72 0.00 0.00 0.00 174.94 177.03 2dao s PHE 38 N 0.60 1.99 -0.18 3.97 -0.71 -0.85 0.10 117.98 122.89 2dao s PHE 38 Ca 0.07 -0.82 -0.09 0.00 -1.04 0.00 0.00 56.93 55.05 2dao s PHE 38 Cb -0.12 -1.24 0.07 0.00 -1.21 0.00 0.00 43.02 40.52 2dao s PHE 38 CO 0.00 0.16 0.42 0.50 -1.34 0.00 0.00 175.22 174.97 2dao s ARG 39 N -3.81 0.38 -0.60 1.99 3.52 -1.16 -2.06 118.95 117.20 2dao s ARG 39 Ca 0.33 0.90 -0.26 0.00 -0.13 0.00 0.00 55.73 56.57 2dao s ARG 39 Cb 0.07 0.12 -0.06 0.00 -1.56 0.00 0.00 34.95 33.51 2dao s ARG 39 CO 0.14 -0.19 2.21 0.42 -0.81 0.00 0.00 175.30 177.06 2dao s ILE 40 N 1.88 3.15 0.26 4.11 1.01 -1.19 -3.78 121.20 126.65 2dao s ILE 40 Ca -0.06 0.03 -0.02 0.00 0.00 0.00 0.00 60.65 60.60 2dao s ILE 40 Cb -0.10 -3.38 0.24 0.00 0.01 0.00 0.00 42.46 39.24 2dao s ILE 40 CO -0.13 -0.36 1.73 0.58 0.00 0.00 0.00 174.94 176.75 2dao h VAL 41 N 7.42 0.63 -2.32 2.92 2.07 -0.92 -3.38 116.25 122.66 2dao h VAL 41 Ca -0.18 -0.16 -0.32 0.00 0.82 0.00 0.00 66.70 66.85 2dao h VAL 41 Cb 1.18 0.12 -0.34 0.00 -1.52 0.00 0.00 31.29 30.72 2dao h VAL 41 CO 1.16 0.09 -0.63 -1.81 0.02 0.00 0.00 177.57 176.40 2dao s ASP 42 N -5.32 1.56 0.04 0.57 1.01 -0.90 -5.01 116.67 108.62 2dao s ASP 42 Ca -0.12 -0.49 -0.20 0.00 0.71 0.00 0.00 52.55 52.45 2dao s ASP 42 Cb 0.22 0.45 -0.14 0.00 1.01 0.00 0.00 42.92 44.46 2dao s ASP 42 CO 0.77 -0.36 1.35 1.55 0.21 0.00 0.00 175.17 178.69 2dao h PRO 43 N 8.29 0.39 -0.26 8.23 0.13 -1.86 0.15 132.00 147.06 2dao h PRO 43 Ca -0.16 -0.20 0.08 0.00 -0.87 0.00 0.00 66.00 64.85 2dao h PRO 43 Cb 1.11 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.24 2dao h PRO 43 CO 0.32 0.76 0.24 -0.97 -0.23 0.00 0.00 178.00 178.12 2dao h ASN 44 N 0.03 0.00 0.08 1.44 -0.73 -1.97 0.20 115.58 114.62 2dao h ASN 44 Ca 0.03 0.00 -0.36 0.00 1.87 0.00 0.00 56.30 57.83 2dao h ASN 44 Cb 0.69 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 39.25 2dao h ASN 44 CO 0.04 0.00 -2.07 0.61 -0.37 0.00 0.00 177.43 175.63 2dao n GLY 45 N -1.48 -0.53 0.07 1.57 0.00 -1.15 -4.23 105.19 99.44 2dao n GLY 45 Ca 0.03 -0.21 -0.12 0.00 0.00 0.00 0.00 46.02 45.72 2dao n GLY 45 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2dao h LEU 46 N -0.09 0.07 -0.87 0.99 5.85 -0.48 -3.16 115.31 117.62 2dao h LEU 46 Ca -0.47 -0.30 0.17 0.00 0.84 0.00 0.00 57.88 58.13 2dao h LEU 46 Cb 1.92 -0.02 -0.17 0.00 0.37 0.00 0.00 40.66 42.76 2dao h LEU 46 CO -0.00 0.35 -0.22 0.00 -0.34 0.00 0.00 178.44 178.23 2dao h ALA 47 N 0.72 0.57 -1.01 1.25 0.00 -0.84 0.60 119.26 120.55 2dao h ALA 47 Ca 0.01 0.34 0.30 0.00 0.00 0.00 0.00 54.91 55.57 2dao h ALA 47 Cb 0.31 0.66 -0.14 0.00 0.00 0.00 0.00 17.79 18.63 2dao h ALA 47 CO 0.00 -0.40 0.58 0.00 0.00 0.00 0.00 179.25 179.44 2dao h ARG 48 N -0.00 0.37 -0.18 0.00 3.08 -1.72 0.37 114.38 116.31 2dao h ARG 48 Ca 0.42 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.41 2dao h ARG 48 Cb 0.64 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.60 2dao h ARG 48 CO -0.90 0.25 -0.03 -0.07 -1.07 0.00 0.00 179.97 178.15 2dao h LEU 49 N 0.38 0.33 -1.10 3.04 3.38 0.09 0.58 115.31 122.01 2dao h LEU 49 Ca 0.71 -0.35 -0.06 0.00 0.09 0.00 0.00 57.88 58.28 2dao h LEU 49 Cb 1.58 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 42.22 2dao h LEU 49 CO -0.57 0.60 -0.01 -0.25 0.09 0.00 0.00 178.44 178.30 2dao h TRP 50 N 0.05 0.66 0.00 1.13 2.91 -0.32 -2.41 115.95 117.97 2dao h TRP 50 Ca 0.05 -0.08 -0.20 0.00 1.13 0.00 0.00 58.89 59.79 2dao h TRP 50 Cb 0.44 -0.19 -0.03 0.00 -0.51 0.00 0.00 29.16 28.88 2dao h TRP 50 CO 0.05 0.64 -1.06 0.78 -1.03 0.00 0.00 178.44 177.81 2dao h GLY 51 N 0.91 0.00 0.19 2.65 0.00 -0.33 -3.17 103.07 103.32 2dao h GLY 51 Ca 0.12 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.44 2dao h GLY 51 CO 0.01 0.00 -0.09 -0.57 0.00 0.00 0.00 176.54 175.89 2dao h ASN 52 N 0.00 -0.21 0.00 0.19 -1.24 0.42 0.15 115.58 114.88 2dao h ASN 52 Ca -0.08 0.01 0.00 0.00 0.71 0.00 0.00 56.30 56.94 2dao h ASN 52 Cb 1.70 0.06 0.00 0.00 0.73 0.00 0.00 38.32 40.81 2dao h ASN 52 CO 0.10 -0.10 0.18 1.12 -1.29 0.00 0.00 177.43 177.44 2dao h HIS 53 N -0.37 0.00 -0.33 0.67 2.07 -1.63 0.38 115.15 115.94 2dao h HIS 53 Ca -0.03 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.49 2dao h HIS 53 Cb 0.19 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.17 2dao h HIS 53 CO 0.10 0.00 0.00 1.63 -3.07 0.00 0.00 177.93 176.59 2dao n LYS 54 N -2.75 2.46 -2.40 5.12 4.76 -1.18 -4.85 118.16 119.33 2dao n LYS 54 Ca -0.02 -1.49 -0.07 0.00 -2.87 0.00 0.00 58.31 53.85 2dao n LYS 54 Cb 0.23 -1.61 -0.01 0.00 -1.84 0.00 0.00 35.03 31.80 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 0.46 -2.71 -4.88 4.39 2.85 0.13 -4.91 115.26 110.58 2dao n ASN 55 Ca 0.13 0.31 -0.21 0.00 -0.11 0.00 0.00 54.58 54.70 2dao n ASN 55 Cb 0.54 -2.38 0.08 0.00 1.24 0.00 0.00 39.78 39.25 2dao n ASN 55 CO 0.00 0.00 0.00 -0.13 -2.11 0.00 0.00 177.26 175.02 2dao s ARG 56 N -4.89 2.09 0.00 1.20 1.81 0.50 -5.04 118.95 114.62 2dao s ARG 56 Ca 0.00 -1.35 0.00 0.00 -1.72 0.00 0.00 55.73 52.66 2dao s ARG 56 Cb 0.00 -2.52 -0.00 0.00 -0.45 0.00 0.00 34.95 31.98 2dao s ARG 56 CO 0.00 -1.06 -0.01 0.99 -0.68 0.00 0.00 175.30 174.54 2dao s THR 57 N -2.85 0.07 -1.42 0.02 2.01 -1.26 -4.64 115.64 107.57 2dao s THR 57 Ca 0.63 -0.18 -0.10 0.00 0.31 0.00 0.00 61.69 62.34 2dao s THR 57 Cb -0.06 -0.09 0.04 0.00 0.01 0.00 0.00 72.50 72.39 2dao s THR 57 CO 0.41 -0.07 1.10 0.59 -0.69 0.00 0.00 174.62 175.96 2dao n ASN 58 N 2.81 -5.63 -4.61 3.53 4.13 -1.26 -4.87 115.26 109.37 2dao n ASN 58 Ca -0.14 -0.64 -0.43 0.00 1.68 0.00 0.00 54.58 55.05 2dao n ASN 58 Cb 0.59 -4.59 -0.03 0.00 -1.54 0.00 0.00 39.78 34.21 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 -6.41 3.33 -0.06 3.52 -2.45 -1.26 -4.97 119.30 111.01 2dao s MET 59 Ca 0.60 1.75 -0.03 0.00 -1.25 0.00 0.00 55.69 56.76 2dao s MET 59 Cb -0.28 -4.25 -0.04 0.00 1.25 0.00 0.00 34.83 31.51 2dao s MET 59 CO 0.77 -1.86 0.11 0.95 1.05 0.00 0.00 175.02 176.04 2dao s THR 60 N 7.19 5.08 0.41 10.11 -4.23 -1.26 -4.57 115.64 128.37 2dao s THR 60 Ca 0.88 -0.12 0.15 0.00 -1.18 0.00 0.00 61.69 61.42 2dao s THR 60 Cb -0.28 -3.27 0.36 0.00 1.34 0.00 0.00 72.50 70.65 2dao s THR 60 CO 0.34 0.48 1.89 0.22 -0.54 0.00 0.00 174.62 177.01 2dao h TYR 61 N 4.52 0.57 -0.87 3.99 3.20 -1.93 -0.26 116.97 126.17 2dao h TYR 61 Ca -0.51 0.02 0.08 0.00 3.14 0.00 0.00 58.73 61.46 2dao h TYR 61 Cb 1.20 -0.18 -0.07 0.00 1.54 0.00 0.00 36.73 39.22 2dao h TYR 61 CO 0.69 0.20 0.53 0.93 -1.64 0.00 0.00 178.16 178.86 2dao h GLU 62 N 0.47 0.88 0.00 1.82 5.08 -2.00 0.22 114.58 121.05 2dao h GLU 62 Ca 0.41 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.72 2dao h GLU 62 Cb 0.91 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.96 2dao h GLU 62 CO -0.15 0.58 0.00 1.63 -1.00 0.00 0.00 179.01 180.07 2dao n LYS 63 N -4.67 0.04 -0.09 2.33 5.02 -0.14 -3.62 118.16 117.03 2dao n LYS 63 Ca 0.14 0.06 -0.14 0.00 -2.02 0.00 0.00 58.31 56.35 2dao n LYS 63 Cb 0.25 -1.54 -0.07 0.00 -0.02 0.00 0.00 35.03 33.64 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 -1.07 1.97 4.05 -0.32 -3.37 114.93 116.19 2dao h MET 64 Ca 0.00 0.00 0.31 0.00 -0.28 0.00 0.00 59.70 59.73 2dao h MET 64 Cb 0.50 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 31.26 2dao h MET 64 CO 0.00 0.54 0.80 0.66 0.23 0.00 0.00 176.91 179.14 2dao h SER 65 N -1.00 0.00 -0.32 1.39 4.64 -0.84 -2.53 113.55 114.89 2dao h SER 65 Ca -0.18 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 61.17 2dao h SER 65 Cb 0.92 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.97 2dao h SER 65 CO -0.11 0.00 -0.22 0.03 -0.87 0.00 0.00 176.83 175.66 2dao h ARG 66 N 0.00 -0.03 -0.31 4.77 2.47 -1.72 -2.15 114.38 117.41 2dao h ARG 66 Ca 0.51 0.00 0.03 0.00 -1.26 0.00 0.00 59.98 59.26 2dao h ARG 66 Cb 2.10 0.01 -0.04 0.00 -1.65 0.00 0.00 29.97 30.39 2dao h ARG 66 CO -0.01 -0.02 -0.22 0.00 0.56 0.00 0.00 179.97 180.28 2dao h ALA 67 N -0.53 -0.29 -0.72 0.04 0.00 -1.70 0.17 119.26 116.24 2dao h ALA 67 Ca 0.05 0.03 0.23 0.00 0.00 0.00 0.00 54.91 55.22 2dao h ALA 67 Cb 0.17 1.06 -0.13 0.00 0.00 0.00 0.00 17.79 18.88 2dao h ALA 67 CO -0.32 -0.43 0.12 1.28 0.00 0.00 0.00 179.25 179.90 2dao n LEU 68 N -3.81 0.02 0.35 0.00 7.99 -0.86 0.85 117.00 121.54 2dao n LEU 68 Ca 0.00 1.21 -0.18 0.00 -0.01 0.00 0.00 56.01 57.03 2dao n LEU 68 Cb 0.11 -0.48 -0.09 0.00 -0.11 0.00 0.00 43.42 42.85 2dao n LEU 68 CO -0.04 -1.26 0.63 -0.09 -1.51 0.00 0.00 177.39 175.12 2dao h ARG 69 N 0.00 -0.88 -1.28 3.23 2.43 -0.13 0.55 114.38 118.30 2dao h ARG 69 Ca 0.49 0.06 0.37 0.00 -0.81 0.00 0.00 59.98 60.08 2dao h ARG 69 Cb 1.11 0.20 -0.06 0.00 -0.42 0.00 0.00 29.97 30.80 2dao h ARG 69 CO -0.64 -0.59 0.91 1.25 -1.51 0.00 0.00 179.97 179.39 2dao h HIS 70 N -0.92 0.06 0.11 2.20 2.76 0.81 0.59 115.15 120.76 2dao h HIS 70 Ca -0.08 0.00 -0.29 0.00 -2.20 0.00 0.00 60.37 57.80 2dao h HIS 70 Cb 0.73 -0.02 -0.01 0.00 1.55 0.00 0.00 27.41 29.66 2dao h HIS 70 CO -0.07 -0.00 -1.44 1.88 -1.30 0.00 0.00 177.93 176.99 2dao h TYR 71 N 0.03 0.41 -0.76 5.26 0.05 -0.82 -3.35 116.97 117.79 2dao h TYR 71 Ca 0.62 -0.30 0.17 0.00 0.05 0.00 0.00 58.73 59.28 2dao h TYR 71 Cb 2.41 -0.02 -0.13 0.00 1.01 0.00 0.00 36.73 40.00 2dao h TYR 71 CO -0.00 1.31 0.04 1.88 -1.05 0.00 0.00 178.16 180.34 2dao h TYR 72 N 0.06 0.01 -0.32 4.88 0.05 0.25 0.50 116.97 122.40 2dao h TYR 72 Ca -0.21 0.05 -0.04 0.00 0.05 0.00 0.00 58.73 58.59 2dao h TYR 72 Cb 1.99 0.11 -0.02 0.00 1.01 0.00 0.00 36.73 39.83 2dao h TYR 72 CO 0.06 -0.22 0.05 0.87 -1.05 0.00 0.00 178.16 177.86 2dao h LYS 73 N 0.13 0.48 0.00 4.88 6.56 -1.66 -0.97 116.57 125.98 2dao h LYS 73 Ca 0.42 -0.08 0.00 0.00 -1.06 0.00 0.00 60.65 59.93 2dao h LYS 73 Cb 0.75 -0.08 0.00 0.00 -0.57 0.00 0.00 32.23 32.33 2dao h LYS 73 CO -0.64 0.47 0.00 1.28 -2.06 0.00 0.00 179.45 178.49 2dao n LEU 74 N -4.33 0.00 -2.96 2.94 4.77 0.17 -4.84 117.00 112.75 2dao n LEU 74 Ca 0.01 0.09 -0.15 0.00 -0.03 0.00 0.00 56.01 55.94 2dao n LEU 74 Cb 0.20 -0.09 0.07 0.00 -2.33 0.00 0.00 43.42 41.27 2dao n LEU 74 CO 0.38 -0.05 0.11 0.59 -1.33 0.00 0.00 177.39 177.09 2dao n ASN 75 N -1.09 -2.83 -0.02 -1.43 5.03 -0.37 -4.94 115.26 109.60 2dao n ASN 75 Ca 0.09 -0.48 -0.03 0.00 0.87 0.00 0.00 54.58 55.03 2dao n ASN 75 Cb 0.07 -4.20 -0.03 0.00 -1.02 0.00 0.00 39.78 34.60 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 -3.75 0.29 -4.39 2.41 5.41 -1.21 -4.70 119.36 113.42 2dao n ILE 76 Ca -0.18 -0.14 -0.21 0.00 1.00 0.00 0.00 62.75 63.23 2dao n ILE 76 Cb 0.62 -0.76 -0.16 0.00 -0.71 0.00 0.00 39.64 38.63 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 -2.10 0.80 -0.28 1.39 1.01 -1.26 -2.19 121.20 118.57 2dao s ILE 77 Ca -0.05 -0.34 -0.04 0.00 0.00 0.00 0.00 60.65 60.21 2dao s ILE 77 Cb 0.02 -0.73 0.02 0.00 0.01 0.00 0.00 42.46 41.78 2dao s ILE 77 CO 0.14 0.26 0.01 -0.60 0.00 0.00 0.00 174.94 174.74 2dao s ARG 78 N 0.36 2.87 -0.68 2.79 6.06 -0.50 -4.34 118.95 125.51 2dao s ARG 78 Ca -0.06 -0.98 -0.22 0.00 -2.50 0.00 0.00 55.73 51.98 2dao s ARG 78 Cb -0.10 -3.18 0.08 0.00 0.06 0.00 0.00 34.95 31.81 2dao s ARG 78 CO 0.01 -0.45 0.97 0.21 -2.50 0.00 0.00 175.30 173.53 2dao s LYS 79 N 1.39 3.14 0.13 5.12 2.20 -1.26 -1.47 119.74 128.99 2dao s LYS 79 Ca 0.00 -0.93 -0.33 0.00 -0.36 0.00 0.00 55.97 54.35 2dao s LYS 79 Cb -0.17 -4.29 -0.18 0.00 -1.51 0.00 0.00 37.83 31.68 2dao s LYS 79 CO -0.01 -1.80 0.85 0.39 -0.36 0.00 0.00 175.35 174.41 2dao n GLU 80 N 7.56 0.26 0.24 4.03 -0.58 -1.21 -4.82 120.64 126.12 2dao n GLU 80 Ca -0.02 0.09 0.16 0.00 -0.42 0.00 0.00 57.16 56.97 2dao n GLU 80 Cb 0.45 -1.37 0.65 0.00 -0.57 0.00 0.00 31.44 30.60 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 2.16 0.00 0.00 3.49 0.13 -1.94 -3.38 132.00 132.46 2dao h PRO 81 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 2dao h PRO 81 Cb 1.42 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.55 2dao h PRO 81 CO 0.62 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.80 2dao n GLY 82 N -0.02 -0.30 3.40 1.56 0.00 -1.26 -4.99 105.19 103.57 2dao n GLY 82 Ca 0.01 0.00 -0.57 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.87 0.00 -2.36 1.61 1.13 -1.26 -4.86 117.38 109.77 2dao n GLN 83 Ca 0.00 0.00 -0.37 0.00 -1.94 0.00 0.00 57.00 54.69 2dao n GLN 83 Cb 0.00 -1.42 -0.02 0.00 0.11 0.00 0.00 30.24 28.91 2dao n GLN 83 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 2dao s ARG 84 N -0.08 3.98 -0.77 -1.09 1.81 -1.26 -3.28 118.95 118.27 2dao s ARG 84 Ca 0.86 1.71 -0.10 0.00 -1.72 0.00 0.00 55.73 56.49 2dao s ARG 84 Cb -1.21 -2.54 0.10 0.00 -0.45 0.00 0.00 34.95 30.85 2dao s ARG 84 CO 0.55 -0.35 0.24 1.28 -0.68 0.00 0.00 175.30 176.35 2dao n LEU 85 N -0.17 -0.34 -4.77 2.53 4.32 -1.26 -4.82 117.00 112.48 2dao n LEU 85 Ca 0.06 -0.33 -0.39 0.00 -0.02 0.00 0.00 56.01 55.33 2dao n LEU 85 Cb 0.48 -1.00 -0.06 0.00 -1.62 0.00 0.00 43.42 41.22 2dao n LEU 85 CO 0.48 0.04 0.25 -0.22 -1.22 0.00 0.00 177.39 176.72 2dao s LEU 86 N -4.83 4.41 -0.01 2.23 1.98 -1.20 -3.16 118.68 118.10 2dao s LEU 86 Ca 0.34 1.09 0.01 0.00 -2.89 0.00 0.00 54.13 52.69 2dao s LEU 86 Cb -0.20 -2.85 0.00 0.00 0.66 0.00 0.00 46.19 43.81 2dao s LEU 86 CO 0.42 0.13 -0.05 -0.36 -1.89 0.00 0.00 176.35 174.60 2dao s PHE 87 N -0.25 0.48 -0.18 5.38 0.08 -0.88 -3.31 117.98 119.31 2dao s PHE 87 Ca 0.29 -0.09 0.01 0.00 0.12 0.00 0.00 56.93 57.26 2dao s PHE 87 Cb -0.18 -0.34 0.03 0.00 -0.57 0.00 0.00 43.02 41.96 2dao s PHE 87 CO 0.16 -0.03 -0.14 0.50 -0.10 0.00 0.00 175.22 175.60 2dao s ARG 88 N 0.05 2.42 -1.15 0.44 3.52 -0.54 -2.00 118.95 121.69 2dao s ARG 88 Ca -0.00 -0.81 -0.21 0.00 -0.13 0.00 0.00 55.73 54.59 2dao s ARG 88 Cb -0.04 -2.42 -0.06 0.00 -1.56 0.00 0.00 34.95 30.87 2dao s ARG 88 CO -0.00 -0.32 1.91 1.19 -0.81 0.00 0.00 175.30 177.27 2dao n PHE 89 N 4.66 3.07 0.00 5.12 3.72 -1.15 -1.41 117.46 131.48 2dao n PHE 89 Ca -0.17 -1.97 0.00 0.00 -0.05 0.00 0.00 57.45 55.25 2dao n PHE 89 Cb 0.48 -2.44 0.00 0.00 -0.94 0.00 0.00 39.48 36.58 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 7.87 0.00 -4.03 -1.08 2.81 -0.93 -4.50 117.12 117.26 2dao n MET 90 Ca 0.47 0.71 -0.22 0.00 -1.81 0.00 0.00 57.70 56.85 2dao n MET 90 Cb 0.45 -1.07 -0.03 0.00 -0.71 0.00 0.00 33.22 31.85 2dao n MET 90 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 2dao s LYS 91 N -2.87 3.20 0.30 0.03 3.01 -1.25 -5.06 119.74 117.10 2dao s LYS 91 Ca 0.00 -0.88 -0.29 0.00 -1.01 0.00 0.00 55.97 53.79 2dao s LYS 91 Cb 0.00 -2.75 -0.13 0.00 -1.01 0.00 0.00 37.83 33.95 2dao s LYS 91 CO 0.00 0.42 1.30 2.41 0.51 0.00 0.00 175.35 179.99 2dao n THR 92 N -1.23 1.61 0.32 2.17 -1.04 -1.26 -4.87 114.28 109.98 2dao n THR 92 Ca -0.08 -0.40 0.15 0.00 -2.04 0.00 0.00 64.05 61.68 2dao n THR 92 Cb 0.57 -1.47 0.63 0.00 -1.82 0.00 0.00 70.33 68.24 2dao n THR 92 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 2dao h PRO 93 N 3.10 0.00 -0.01 -2.82 0.13 -1.97 -2.34 132.00 128.10 2dao h PRO 93 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2dao h PRO 93 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 2dao h PRO 93 CO 0.67 0.00 -0.49 -0.25 -0.23 0.00 0.00 178.00 177.70 2dao n ASP 94 N -2.76 1.32 0.05 1.44 9.92 -1.26 -4.06 116.55 121.20 2dao n ASP 94 Ca 0.01 -1.05 -0.06 0.00 -0.53 0.00 0.00 54.79 53.16 2dao n ASP 94 Cb 0.27 0.41 -0.11 0.00 -0.64 0.00 0.00 41.12 41.05 2dao n ASP 94 CO 0.00 0.00 0.00 -0.08 0.13 0.00 0.00 177.20 177.25 2dao h GLU 95 N 1.31 0.00 -0.77 -1.24 4.57 -1.78 -3.24 114.58 113.42 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 0.60 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.15 2dao h GLU 95 CO 0.00 0.84 0.07 -0.89 -1.18 0.00 0.00 179.01 177.85 2dao n ILE 96 N -3.27 1.93 -2.78 2.32 5.41 -1.24 -4.92 119.36 116.81 2dao n ILE 96 Ca -0.03 -0.98 -0.22 0.00 1.00 0.00 0.00 62.75 62.52 2dao n ILE 96 Cb 0.93 -0.40 0.10 0.00 -0.71 0.00 0.00 39.64 39.56 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 -2.17 1.81 -1.47 0.38 -1.94 -1.23 -4.54 119.30 110.15 2dao s MET 97 Ca 0.36 -1.41 -0.10 0.00 -1.71 0.00 0.00 55.69 52.84 2dao s MET 97 Cb 0.28 -2.45 0.06 0.00 2.01 0.00 0.00 34.83 34.73 2dao s MET 97 CO 0.10 -1.31 0.88 0.45 -0.01 0.00 0.00 175.02 175.13 2dao n SER 98 N -2.65 -3.62 -3.49 3.03 2.88 -1.26 -4.84 113.62 103.67 2dao n SER 98 Ca 0.17 -0.80 -0.32 0.00 -1.33 0.00 0.00 58.87 56.58 2dao n SER 98 Cb 0.61 -3.89 0.01 0.00 -0.75 0.00 0.00 64.21 60.19 2dao n SER 98 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dao n GLY 99 N -1.67 -2.68 0.80 0.46 0.00 -1.26 -4.94 105.19 95.89 2dao n GLY 99 Ca -0.07 -0.17 -0.05 0.00 0.00 0.00 0.00 46.02 45.73 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 1.26 0.14 0.00 1.61 5.12 -1.26 -4.88 116.66 118.65 2dao n ARG 100 Ca 0.06 0.06 0.00 0.00 -1.93 0.00 0.00 57.85 56.04 2dao n ARG 100 Cb 0.39 -0.74 0.00 0.00 -1.16 0.00 0.00 32.46 30.95 2dao n ARG 100 CO 0.00 0.00 0.00 -2.37 -1.93 0.00 0.00 177.63 173.33 2dao n THR 101 N -3.48 0.00 -3.61 0.55 5.66 -1.26 -4.98 114.28 107.17 2dao n THR 101 Ca -0.09 -0.23 -0.26 0.00 -3.05 0.00 0.00 64.05 60.41 2dao n THR 101 Cb 0.40 0.74 -0.17 0.00 -1.55 0.00 0.00 70.33 69.75 2dao n THR 101 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 2dao s ASP 102 N -1.31 2.39 -0.16 1.09 1.01 -1.26 -5.13 116.67 113.29 2dao s ASP 102 Ca 0.00 -0.64 -0.06 0.00 0.71 0.00 0.00 52.55 52.56 2dao s ASP 102 Cb 0.00 -0.24 -0.04 0.00 1.01 0.00 0.00 42.92 43.65 2dao s ASP 102 CO 0.00 -0.35 0.05 -0.13 0.21 0.00 0.00 175.17 174.95 2dao s ARG 103 N 2.14 3.77 0.55 8.23 0.52 -1.26 -4.73 118.95 128.17 2dao s ARG 103 Ca 0.02 -0.34 0.33 0.00 -0.52 0.00 0.00 55.73 55.22 2dao s ARG 103 Cb -0.16 -3.13 1.51 0.00 0.52 0.00 0.00 34.95 33.69 2dao s ARG 103 CO -0.10 0.38 2.05 -0.07 0.02 0.00 0.00 175.30 177.57 2dao h LEU 104 N 6.31 0.00 -1.63 2.53 -0.00 -2.01 -2.95 115.31 117.56 2dao h LEU 104 Ca -0.40 0.00 0.30 0.00 -0.00 0.00 0.00 57.88 57.78 2dao h LEU 104 Cb 1.18 0.00 -0.07 0.00 -0.00 0.00 0.00 40.66 41.76 2dao h LEU 104 CO 0.67 0.05 0.74 -0.33 -0.00 0.00 0.00 178.44 179.57 2dao h GLU 105 N 0.00 0.21 -1.19 1.13 4.39 -2.00 0.11 114.58 117.24 2dao h GLU 105 Ca -0.00 -0.01 0.41 0.00 0.34 0.00 0.00 59.36 60.10 2dao h GLU 105 Cb 0.43 -0.05 -0.14 0.00 -0.10 0.00 0.00 28.75 28.89 2dao h GLU 105 CO 0.01 0.14 0.73 1.25 -1.16 0.00 0.00 179.01 179.97 2dao h HIS 106 N 0.22 0.67 -0.22 4.33 2.76 -1.96 1.85 115.15 122.79 2dao h HIS 106 Ca 0.58 0.03 -0.10 0.00 -2.20 0.00 0.00 60.37 58.68 2dao h HIS 106 Cb 1.83 -0.16 -0.06 0.00 1.55 0.00 0.00 27.41 30.57 2dao h HIS 106 CO -0.00 -0.27 0.13 1.28 -1.30 0.00 0.00 177.93 177.77 2dao n LEU 107 N -4.89 3.62 0.14 0.26 7.99 0.03 -4.04 117.00 120.10 2dao n LEU 107 Ca 0.37 -1.86 -0.01 0.00 -0.01 0.00 0.00 56.01 54.50 2dao n LEU 107 Cb 1.32 -0.58 0.19 0.00 -0.11 0.00 0.00 43.42 44.25 2dao n LEU 107 CO 0.14 0.58 0.52 1.05 -1.51 0.00 0.00 177.39 178.17 2dao h GLU 108 N 0.36 0.01 0.00 3.23 4.11 0.27 -3.40 114.58 119.17 2dao h GLU 108 Ca 0.13 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.55 2dao h GLU 108 Cb 1.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.61 2dao h GLU 108 CO 0.24 0.60 -0.31 0.43 0.07 0.00 0.00 179.01 180.04 2dao n SER 109 N -3.84 1.45 -0.02 3.06 7.64 -1.26 -4.89 113.62 115.76 2dao n SER 109 Ca -0.01 0.00 -0.00 0.00 1.01 0.00 0.00 58.87 59.86 2dao n SER 109 Cb 0.59 0.10 -0.00 0.00 -1.01 0.00 0.00 64.21 63.89 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 -1.26 -0.02 -0.73 1.43 7.27 -1.26 -0.03 117.38 122.79 2dao n GLN 110 Ca 0.00 0.96 -0.07 0.00 0.07 0.00 0.00 57.00 57.96 2dao n GLN 110 Cb 0.16 -1.44 -0.10 0.00 2.41 0.00 0.00 30.24 31.27 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 -3.03 1.45 -3.62 3.69 -0.00 -1.26 -4.73 120.64 113.15 2dao n GLU 111 Ca 0.00 -0.61 -0.15 0.00 -0.00 0.00 0.00 57.16 56.40 2dao n GLU 111 Cb 0.01 -1.69 -0.07 0.00 -0.00 0.00 0.00 31.44 29.69 2dao n GLU 111 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 2dao s LEU 112 N 0.00 -0.43 -0.46 -1.84 1.43 0.96 -4.70 118.68 113.64 2dao s LEU 112 Ca 0.41 1.04 -0.28 0.00 -1.03 0.00 0.00 54.13 54.27 2dao s LEU 112 Cb 0.20 2.24 -0.09 0.00 0.03 0.00 0.00 46.19 48.57 2dao s LEU 112 CO 0.00 -0.36 2.37 -1.54 0.23 0.00 0.00 176.35 177.06 2dao n SER 113 N 2.08 2.27 0.00 2.29 3.41 -1.26 -4.83 113.62 117.58 2dao n SER 113 Ca -0.16 -0.13 0.00 0.00 -0.26 0.00 0.00 58.87 58.32 2dao n SER 113 Cb 0.56 -1.45 0.00 0.00 -0.26 0.00 0.00 64.21 63.05 2dao n SER 113 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dao n GLY 114 N 6.10 4.87 3.55 5.00 0.00 -1.26 -5.09 105.19 118.36 2dao n GLY 114 Ca 0.39 -1.14 -0.39 0.00 0.00 0.00 0.00 46.02 44.89 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 1.50 2.64 0.04 1.61 0.04 -1.26 -4.87 135.00 134.70 2dao s PRO 115 Ca 0.00 0.63 -0.28 0.00 0.04 0.00 0.00 61.00 61.39 2dao s PRO 115 Cb 0.00 -4.38 -0.17 0.00 0.04 0.00 0.00 34.50 29.99 2dao s PRO 115 CO 0.00 -2.72 1.39 1.03 0.04 0.00 0.00 177.00 176.74 2dao h SER 116 N 14.93 -0.51 -6.80 6.66 0.87 -1.98 -3.46 113.55 123.26 2dao h SER 116 Ca -0.26 -0.07 -0.57 0.00 -1.23 0.00 0.00 61.79 59.66 2dao h SER 116 Cb 1.16 0.13 -0.33 0.00 -0.44 0.00 0.00 62.40 62.93 2dao h SER 116 CO 1.21 -0.22 -0.83 -1.54 -0.53 0.00 0.00 176.83 174.93 2dao n SER 117 N -5.27 -1.29 -0.23 6.23 3.41 -1.26 -5.26 113.62 109.94 2dao n SER 117 Ca -0.11 -1.13 0.03 0.00 -0.26 0.00 0.00 58.87 57.40 2dao n SER 117 Cb 0.29 -1.44 0.02 0.00 -0.26 0.00 0.00 64.21 62.83 2dao n SER 117 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49