#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dao n SER 2 N 0.00 7.35 -2.18 1.61 2.88 -1.26 -4.70 113.62 117.32 2dao n SER 2 Ca 0.00 -3.80 -0.25 0.00 -1.33 0.00 0.00 58.87 53.50 2dao n SER 2 Cb 0.00 -0.93 0.03 0.00 -0.75 0.00 0.00 64.21 62.56 2dao n SER 2 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2dao n SER 3 N -0.79 6.86 0.00 -3.46 3.41 -1.26 -4.88 113.62 113.50 2dao n SER 3 Ca 0.58 -3.32 0.00 0.00 -0.26 0.00 0.00 58.87 55.87 2dao n SER 3 Cb 0.58 -1.07 0.00 0.00 -0.26 0.00 0.00 64.21 63.46 2dao n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dao n GLY 4 N 0.07 -0.44 3.54 5.00 0.00 -1.26 -5.12 105.19 106.99 2dao n GLY 4 Ca 0.43 0.08 -0.09 0.00 0.00 0.00 0.00 46.02 46.44 2dao n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dao s SER 5 N -4.00 -0.82 -0.15 1.61 1.04 -1.26 -5.16 113.70 104.97 2dao s SER 5 Ca 0.00 1.35 -0.04 0.00 0.48 0.00 0.00 55.95 57.74 2dao s SER 5 Cb 0.00 1.24 -0.03 0.00 0.10 0.00 0.00 66.02 67.33 2dao s SER 5 CO 0.00 -0.23 -0.01 -0.94 0.98 0.00 0.00 173.24 173.05 2dao s SER 6 N 1.42 5.09 0.00 7.02 1.04 -1.26 -4.55 113.70 122.46 2dao s SER 6 Ca -0.09 -0.03 0.00 0.00 0.48 0.00 0.00 55.95 56.32 2dao s SER 6 Cb -0.06 -1.77 0.00 0.00 0.10 0.00 0.00 66.02 64.29 2dao s SER 6 CO -0.16 0.21 0.00 0.61 0.98 0.00 0.00 173.24 174.88 2dao n GLY 7 N 3.29 2.66 3.56 7.32 0.00 -1.26 -4.96 105.19 115.80 2dao n GLY 7 Ca -0.17 -0.66 -0.18 0.00 0.00 0.00 0.00 46.02 45.00 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 8.20 0.14 1.13 0.00 0.52 -1.26 -5.02 118.95 122.65 2dao s ARG 9 Ca 0.84 0.29 -0.19 0.00 -0.52 0.00 0.00 55.73 56.15 2dao s ARG 9 Cb -0.10 -0.98 0.29 0.00 0.52 0.00 0.00 34.95 34.68 2dao s ARG 9 CO 0.07 -0.55 0.77 1.28 0.02 0.00 0.00 175.30 176.89 2dao n LEU 10 N 5.32 0.00 -0.03 2.53 4.32 -1.26 -4.93 117.00 122.95 2dao n LEU 10 Ca -0.05 -0.79 -0.02 0.00 -0.02 0.00 0.00 56.01 55.12 2dao n LEU 10 Cb 0.50 -0.81 -0.01 0.00 -1.62 0.00 0.00 43.42 41.47 2dao n LEU 10 CO 0.07 -2.38 -0.17 -0.11 -1.22 0.00 0.00 177.39 173.58 2dao n LEU 11 N 0.00 0.63 -0.34 2.23 7.94 -1.26 -3.32 117.00 122.88 2dao n LEU 11 Ca 0.12 0.25 0.30 0.00 -1.11 0.00 0.00 56.01 55.57 2dao n LEU 11 Cb 0.49 -0.60 0.53 0.00 0.53 0.00 0.00 43.42 44.36 2dao n LEU 11 CO 0.32 -0.46 0.96 -2.67 -1.11 0.00 0.00 177.39 174.43 2dao n TRP 12 N -3.11 0.75 0.08 1.96 4.27 -1.26 0.23 117.44 120.37 2dao n TRP 12 Ca -0.04 0.76 -0.22 0.00 -3.89 0.00 0.00 57.50 54.12 2dao n TRP 12 Cb 0.13 -1.18 -0.13 0.00 -1.36 0.00 0.00 31.31 28.77 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 0.78 -0.46 -0.67 1.82 -1.98 -3.24 116.42 112.67 2dao h ASP 13 Ca 0.72 -0.84 0.13 0.00 -0.39 0.00 0.00 57.03 56.65 2dao h ASP 13 Cb 2.14 -0.25 -0.02 0.00 0.68 0.00 0.00 39.33 41.89 2dao h ASP 13 CO -0.50 1.55 0.90 0.22 -1.61 0.00 0.00 179.24 179.81 2dao h TYR 14 N 0.13 0.00 0.09 0.28 3.20 0.29 -1.43 116.97 119.52 2dao h TYR 14 Ca -0.18 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.69 2dao h TYR 14 Cb 1.83 0.00 0.00 0.00 1.54 0.00 0.00 36.73 40.11 2dao h TYR 14 CO 0.13 0.00 -0.04 0.28 -1.64 0.00 0.00 178.16 176.89 2dao h VAL 15 N 0.00 0.00 -0.65 1.81 2.07 -1.54 -3.16 116.25 114.78 2dao h VAL 15 Ca 0.22 -0.01 0.06 0.00 0.82 0.00 0.00 66.70 67.79 2dao h VAL 15 Cb 2.02 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 31.71 2dao h VAL 15 CO -0.00 0.00 -0.38 0.00 0.02 0.00 0.00 177.57 177.21 2dao n TYR 16 N -2.34 -0.28 -0.29 1.57 9.36 -0.54 0.15 117.16 124.78 2dao n TYR 16 Ca -0.01 0.81 0.25 0.00 3.32 0.00 0.00 57.90 62.27 2dao n TYR 16 Cb 0.05 -0.53 0.47 0.00 -0.63 0.00 0.00 39.34 38.70 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 -4.60 -0.06 0.14 2.98 1.13 -1.24 0.10 117.38 115.84 2dao n GLN 17 Ca 0.01 1.27 -0.12 0.00 -1.94 0.00 0.00 57.00 56.22 2dao n GLN 17 Cb 0.17 -2.22 -0.07 0.00 0.11 0.00 0.00 30.24 28.22 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 -0.34 -0.98 1.08 3.38 0.15 -3.19 115.31 115.40 2dao h LEU 18 Ca 0.72 -0.20 0.12 0.00 0.09 0.00 0.00 57.88 58.62 2dao h LEU 18 Cb 1.83 0.09 -0.14 0.00 0.09 0.00 0.00 40.66 42.53 2dao h LEU 18 CO -0.73 0.08 -0.47 0.18 0.09 0.00 0.00 178.44 177.59 2dao n LEU 19 N -5.09 -0.81 -0.11 1.67 7.99 0.11 -0.66 117.00 120.10 2dao n LEU 19 Ca -0.09 1.72 -0.11 0.00 -0.01 0.00 0.00 56.01 57.53 2dao n LEU 19 Cb 0.27 -0.32 -0.06 0.00 -0.11 0.00 0.00 43.42 43.20 2dao n LEU 19 CO 0.27 -1.48 0.56 -1.28 -1.51 0.00 0.00 177.39 173.95 2dao h SER 20 N 0.00 -1.51 -1.65 -1.43 0.87 -1.48 -3.33 113.55 105.01 2dao h SER 20 Ca 0.26 0.22 -0.44 0.00 -1.23 0.00 0.00 61.79 60.60 2dao h SER 20 Cb 0.50 0.65 -0.03 0.00 -0.44 0.00 0.00 62.40 63.08 2dao h SER 20 CO -0.95 -0.39 1.21 -1.81 -0.53 0.00 0.00 176.83 174.37 2dao s ASP 21 N -5.03 5.16 0.56 6.23 1.01 0.17 -4.81 116.67 119.96 2dao s ASP 21 Ca -0.15 0.16 0.28 0.00 0.71 0.00 0.00 52.55 53.55 2dao s ASP 21 Cb 0.11 -2.53 1.48 0.00 1.01 0.00 0.00 42.92 42.98 2dao s ASP 21 CO 0.64 -2.52 1.95 0.77 0.21 0.00 0.00 175.17 176.22 2dao h SER 22 N 14.43 0.00 0.00 0.27 4.64 -1.75 0.84 113.55 131.97 2dao h SER 22 Ca -0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.14 2dao h SER 22 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 2dao h SER 22 CO 1.21 0.00 0.26 0.03 -0.87 0.00 0.00 176.83 177.46 2dao h ARG 23 N 0.00 0.00 -0.46 4.77 3.08 -1.88 0.48 114.38 120.36 2dao h ARG 23 Ca 0.24 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 60.06 2dao h ARG 23 Cb 1.12 0.00 -0.14 0.00 0.08 0.00 0.00 29.97 31.03 2dao h ARG 23 CO -0.00 0.00 0.05 0.66 -1.07 0.00 0.00 179.97 179.61 2dao n TYR 24 N -2.37 1.43 -0.02 3.04 4.02 0.29 -4.66 117.16 118.89 2dao n TYR 24 Ca -0.01 -1.60 -0.13 0.00 -0.01 0.00 0.00 57.90 56.14 2dao n TYR 24 Cb 0.29 -0.56 -0.09 0.00 -0.02 0.00 0.00 39.34 38.95 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 1.07 0.08 -0.96 -0.72 5.08 -0.09 -0.17 114.58 118.88 2dao h GLU 25 Ca 0.28 -0.05 0.21 0.00 -1.00 0.00 0.00 59.36 58.81 2dao h GLU 25 Cb 1.86 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 31.03 2dao h GLU 25 CO 0.51 0.56 0.62 -0.91 -1.00 0.00 0.00 179.01 178.78 2dao h ASN 26 N -0.39 0.49 0.14 1.42 2.35 -1.83 -1.48 115.58 116.28 2dao h ASN 26 Ca 0.00 0.06 -0.21 0.00 -0.55 0.00 0.00 56.30 55.61 2dao h ASN 26 Cb 0.54 -0.03 0.02 0.00 0.05 0.00 0.00 38.32 38.90 2dao h ASN 26 CO 0.01 0.17 -0.95 -0.26 -1.65 0.00 0.00 177.43 174.76 2dao h PHE 27 N 0.48 0.53 -2.01 1.19 0.04 -1.89 -3.37 116.94 111.91 2dao h PHE 27 Ca 0.52 -0.39 -0.03 0.00 2.80 0.00 0.00 57.97 60.87 2dao h PHE 27 Cb 1.19 -0.02 -0.21 0.00 2.20 0.00 0.00 35.95 39.11 2dao h PHE 27 CO -0.00 1.36 0.11 -1.50 -0.60 0.00 0.00 178.31 177.68 2dao s ILE 28 N -2.44 -0.00 0.08 -0.55 2.07 -0.08 -1.33 121.20 118.95 2dao s ILE 28 Ca -0.15 0.00 -0.08 0.00 -1.41 0.00 0.00 60.65 59.01 2dao s ILE 28 Cb 0.02 -0.99 -0.00 0.00 0.13 0.00 0.00 42.46 41.61 2dao s ILE 28 CO 0.82 0.00 0.17 0.00 -1.91 0.00 0.00 174.94 174.02 2dao s ARG 29 N 0.59 0.80 0.25 3.50 1.70 -1.24 -3.61 118.95 120.95 2dao s ARG 29 Ca -0.02 -0.92 -0.31 0.00 -0.47 0.00 0.00 55.73 54.01 2dao s ARG 29 Cb -0.05 0.32 -0.11 0.00 -0.57 0.00 0.00 34.95 34.54 2dao s ARG 29 CO -0.03 -0.24 1.59 -1.58 -1.08 0.00 0.00 175.30 173.96 2dao s TRP 30 N -3.65 2.87 -0.17 5.89 0.52 -1.26 -3.51 118.94 119.62 2dao s TRP 30 Ca 0.03 0.73 -0.14 0.00 0.02 0.00 0.00 56.10 56.75 2dao s TRP 30 Cb 0.04 -4.02 -0.08 0.00 -1.15 0.00 0.00 33.47 28.26 2dao s TRP 30 CO -0.10 -3.53 -0.13 -1.91 0.02 0.00 0.00 176.95 171.31 2dao n GLU 31 N 2.75 0.50 -3.32 4.98 4.07 0.26 -4.80 120.64 125.07 2dao n GLU 31 Ca 0.10 0.47 -0.25 0.00 -0.06 0.00 0.00 57.16 57.42 2dao n GLU 31 Cb 0.38 -1.65 -0.08 0.00 -0.06 0.00 0.00 31.44 30.02 2dao n GLU 31 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 2dao n ASP 32 N -4.52 0.87 -0.43 4.31 8.00 0.51 -4.95 116.55 120.34 2dao n ASP 32 Ca -0.18 -2.79 0.37 0.00 0.71 0.00 0.00 54.79 52.91 2dao n ASP 32 Cb 0.45 -0.63 0.58 0.00 -0.02 0.00 0.00 41.12 41.49 2dao n ASP 32 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2dao n LYS 33 N 1.65 0.01 -0.13 -1.24 4.76 -1.26 0.94 118.16 122.89 2dao n LYS 33 Ca 0.24 0.97 -0.04 0.00 -2.87 0.00 0.00 58.31 56.61 2dao n LYS 33 Cb 0.49 -2.33 0.04 0.00 -1.84 0.00 0.00 35.03 31.39 2dao n LYS 33 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 2dao h GLU 34 N 0.00 0.26 -0.26 1.97 5.08 -1.93 -2.55 114.58 117.15 2dao h GLU 34 Ca 0.66 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.98 2dao h GLU 34 Cb 3.10 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 32.28 2dao h GLU 34 CO -0.01 0.17 -0.00 0.43 -1.00 0.00 0.00 179.01 178.60 2dao n SER 35 N -5.06 3.64 -3.87 1.42 7.64 0.27 -4.96 113.62 112.71 2dao n SER 35 Ca 0.03 -3.11 -0.28 0.00 1.01 0.00 0.00 58.87 56.52 2dao n SER 35 Cb 0.18 -0.55 0.02 0.00 -1.01 0.00 0.00 64.21 62.85 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 -0.64 -5.08 -4.05 1.43 5.02 -0.62 -4.33 118.16 109.89 2dao n LYS 36 Ca 0.23 0.58 -0.35 0.00 -2.02 0.00 0.00 58.31 56.75 2dao n LYS 36 Cb 0.90 -5.31 -0.07 0.00 -0.02 0.00 0.00 35.03 30.53 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 -3.46 5.03 0.27 -0.18 1.01 -1.10 -2.13 121.20 120.63 2dao s ILE 37 Ca 0.43 -0.10 -0.02 0.00 0.00 0.00 0.00 60.65 60.96 2dao s ILE 37 Cb -0.22 -3.22 -0.02 0.00 0.01 0.00 0.00 42.46 39.01 2dao s ILE 37 CO 0.83 0.51 0.30 0.72 0.00 0.00 0.00 174.94 177.30 2dao s PHE 38 N -1.08 1.11 -0.05 3.97 -0.71 -0.43 0.89 117.98 121.68 2dao s PHE 38 Ca 0.18 -1.30 -0.14 0.00 -1.04 0.00 0.00 56.93 54.64 2dao s PHE 38 Cb -0.12 -0.35 0.03 0.00 -1.21 0.00 0.00 43.02 41.37 2dao s PHE 38 CO 0.08 -0.86 0.31 -0.98 -1.34 0.00 0.00 175.22 172.43 2dao s ARG 39 N -3.75 0.57 -0.84 1.99 1.70 -1.23 -1.70 118.95 115.69 2dao s ARG 39 Ca 0.34 0.02 -0.26 0.00 -0.47 0.00 0.00 55.73 55.37 2dao s ARG 39 Cb 0.03 0.26 0.04 0.00 -0.57 0.00 0.00 34.95 34.71 2dao s ARG 39 CO 0.16 -0.14 1.34 0.42 -1.08 0.00 0.00 175.30 176.01 2dao s ILE 40 N -0.82 3.80 0.26 4.99 1.01 -1.21 -3.77 121.20 125.45 2dao s ILE 40 Ca -0.09 -0.01 -0.03 0.00 0.00 0.00 0.00 60.65 60.52 2dao s ILE 40 Cb -0.04 -4.97 0.30 0.00 0.01 0.00 0.00 42.46 37.76 2dao s ILE 40 CO 0.03 -1.88 1.64 0.58 0.00 0.00 0.00 174.94 175.30 2dao h VAL 41 N 6.30 0.32 -2.23 2.92 2.07 -1.46 -3.37 116.25 120.80 2dao h VAL 41 Ca -0.11 -0.05 -0.27 0.00 0.82 0.00 0.00 66.70 67.09 2dao h VAL 41 Cb 1.04 0.16 -0.33 0.00 -1.52 0.00 0.00 31.29 30.63 2dao h VAL 41 CO 1.33 0.03 -0.59 -0.62 0.02 0.00 0.00 177.57 177.74 2dao s ASP 42 N -5.15 1.13 0.16 0.57 -1.08 -1.04 -5.02 116.67 106.24 2dao s ASP 42 Ca -0.13 -0.25 -0.08 0.00 -0.52 0.00 0.00 52.55 51.57 2dao s ASP 42 Cb 0.24 0.63 0.02 0.00 -1.46 0.00 0.00 42.92 42.35 2dao s ASP 42 CO 0.76 -0.34 1.50 1.55 0.52 0.00 0.00 175.17 179.17 2dao h PRO 43 N 8.26 0.85 0.00 4.34 0.13 -1.87 0.52 132.00 144.23 2dao h PRO 43 Ca -0.17 -0.45 -0.01 0.00 -0.87 0.00 0.00 66.00 64.51 2dao h PRO 43 Cb 1.13 0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.28 2dao h PRO 43 CO 0.29 1.09 -0.05 -0.97 -0.23 0.00 0.00 178.00 178.13 2dao h ASN 44 N 0.69 0.00 0.03 1.44 -1.24 -1.96 -0.24 115.58 114.29 2dao h ASN 44 Ca 0.05 0.00 -0.38 0.00 0.71 0.00 0.00 56.30 56.68 2dao h ASN 44 Cb 0.97 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 39.97 2dao h ASN 44 CO 0.09 0.05 -2.23 0.61 -1.29 0.00 0.00 177.43 174.66 2dao n GLY 45 N -1.12 -0.49 0.07 1.57 0.00 -1.12 -4.27 105.19 99.83 2dao n GLY 45 Ca -0.03 -0.14 -0.12 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.40 0.09 -0.93 0.99 5.85 -0.80 -2.83 115.31 117.29 2dao h LEU 46 Ca -0.55 -0.13 0.26 0.00 0.84 0.00 0.00 57.88 58.30 2dao h LEU 46 Cb 1.77 -0.02 -0.14 0.00 0.37 0.00 0.00 40.66 42.64 2dao h LEU 46 CO -0.16 0.19 0.39 0.00 -0.34 0.00 0.00 178.44 178.53 2dao h ALA 47 N 0.90 1.54 -0.89 1.25 0.00 -1.26 0.56 119.26 121.36 2dao h ALA 47 Ca 0.02 0.19 0.19 0.00 0.00 0.00 0.00 54.91 55.31 2dao h ALA 47 Cb 0.13 0.21 -0.07 0.00 0.00 0.00 0.00 17.79 18.06 2dao h ALA 47 CO -0.00 -0.45 0.58 0.00 0.00 0.00 0.00 179.25 179.38 2dao h ARG 48 N 0.32 0.47 -0.14 0.00 3.08 -1.68 0.18 114.38 116.61 2dao h ARG 48 Ca 0.61 -0.03 -0.07 0.00 0.07 0.00 0.00 59.98 60.57 2dao h ARG 48 Cb 1.26 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 31.20 2dao h ARG 48 CO -0.60 0.31 -0.17 -0.07 -1.07 0.00 0.00 179.97 178.37 2dao h LEU 49 N 0.48 0.39 0.14 3.04 3.38 0.06 -2.74 115.31 120.07 2dao h LEU 49 Ca 0.46 -0.51 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 2dao h LEU 49 Cb 1.04 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.68 2dao h LEU 49 CO -0.19 0.82 -0.07 -0.25 0.09 0.00 0.00 178.44 178.84 2dao h TRP 50 N -0.03 -0.17 -0.29 1.13 2.91 -0.94 -2.29 115.95 116.26 2dao h TRP 50 Ca 0.02 -0.00 0.07 0.00 1.13 0.00 0.00 58.89 60.10 2dao h TRP 50 Cb 0.73 0.06 -0.08 0.00 -0.51 0.00 0.00 29.16 29.36 2dao h TRP 50 CO 0.09 0.06 -0.26 0.78 -1.03 0.00 0.00 178.44 178.08 2dao h GLY 51 N -0.39 -0.17 1.24 2.65 0.00 -0.78 -0.12 103.07 105.50 2dao h GLY 51 Ca -0.02 0.33 0.05 0.00 0.00 0.00 0.00 47.33 47.69 2dao h GLY 51 CO 0.03 -0.20 0.39 -0.57 0.00 0.00 0.00 176.54 176.18 2dao h ASN 52 N -0.24 0.51 0.12 0.19 -1.24 -1.48 0.20 115.58 113.64 2dao h ASN 52 Ca 0.15 -0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.15 2dao h ASN 52 Cb 0.48 -0.11 0.00 0.00 0.73 0.00 0.00 38.32 39.42 2dao h ASN 52 CO -0.43 0.34 -0.06 -0.74 -1.29 0.00 0.00 177.43 175.25 2dao h HIS 53 N 0.59 -0.15 -0.35 0.67 2.76 -0.44 -2.57 115.15 115.65 2dao h HIS 53 Ca 0.25 -0.00 -0.22 0.00 -2.20 0.00 0.00 60.37 58.19 2dao h HIS 53 Cb 0.22 0.05 -0.10 0.00 1.55 0.00 0.00 27.41 29.13 2dao h HIS 53 CO -0.00 -0.06 0.29 1.63 -1.30 0.00 0.00 177.93 178.48 2dao n LYS 54 N -5.15 1.55 -3.63 5.26 4.76 -0.73 -4.82 118.16 115.41 2dao n LYS 54 Ca -0.08 -1.12 -0.30 0.00 -2.87 0.00 0.00 58.31 53.94 2dao n LYS 54 Cb 0.11 -1.44 -0.06 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 0.50 -1.30 -4.87 4.39 5.15 -0.97 -4.86 115.26 113.30 2dao n ASN 55 Ca 0.22 -0.84 -0.28 0.00 -0.60 0.00 0.00 54.58 53.07 2dao n ASN 55 Cb 0.63 -1.14 -0.04 0.00 -0.53 0.00 0.00 39.78 38.69 2dao n ASN 55 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 2dao s ARG 56 N -5.46 3.21 0.23 1.20 6.06 0.66 -5.01 118.95 119.85 2dao s ARG 56 Ca 0.58 -0.63 0.09 0.00 -2.50 0.00 0.00 55.73 53.27 2dao s ARG 56 Cb -0.34 -2.87 -0.04 0.00 0.06 0.00 0.00 34.95 31.76 2dao s ARG 56 CO 0.71 0.55 -0.01 0.99 -2.50 0.00 0.00 175.30 175.04 2dao s THR 57 N -1.61 3.50 -1.56 4.11 2.01 -1.26 -4.04 115.64 116.79 2dao s THR 57 Ca 0.33 -1.75 -0.04 0.00 0.31 0.00 0.00 61.69 60.54 2dao s THR 57 Cb -0.12 -2.83 0.04 0.00 0.01 0.00 0.00 72.50 69.60 2dao s THR 57 CO 0.26 -0.28 0.21 0.59 -0.69 0.00 0.00 174.62 174.71 2dao n ASN 58 N -0.59 0.11 -4.61 3.53 3.02 -1.26 -4.82 115.26 110.63 2dao n ASN 58 Ca -0.08 -1.20 -0.43 0.00 -0.03 0.00 0.00 54.58 52.84 2dao n ASN 58 Cb 0.58 -1.99 -0.02 0.00 -0.61 0.00 0.00 39.78 37.73 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 -7.16 3.73 -0.12 3.52 -2.45 -1.26 -5.01 119.30 110.55 2dao s MET 59 Ca 0.14 1.02 -0.04 0.00 -1.25 0.00 0.00 55.69 55.57 2dao s MET 59 Cb -0.08 -3.95 -0.03 0.00 1.25 0.00 0.00 34.83 32.01 2dao s MET 59 CO 0.97 -1.37 0.01 -0.08 1.05 0.00 0.00 175.02 175.61 2dao s THR 60 N 4.91 4.39 0.64 10.11 -1.32 -1.26 -4.56 115.64 128.55 2dao s THR 60 Ca 0.58 -0.20 0.20 0.00 -1.21 0.00 0.00 61.69 61.05 2dao s THR 60 Cb -0.14 -2.89 0.24 0.00 -1.51 0.00 0.00 72.50 68.20 2dao s THR 60 CO 0.29 0.56 1.51 0.22 -2.21 0.00 0.00 174.62 174.98 2dao h TYR 61 N 5.72 0.00 -0.80 9.09 3.20 -1.95 0.51 116.97 132.74 2dao h TYR 61 Ca -0.45 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.39 2dao h TYR 61 Cb 1.19 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 39.42 2dao h TYR 61 CO 0.61 0.00 0.38 0.93 -1.64 0.00 0.00 178.16 178.43 2dao h GLU 62 N 0.00 1.16 0.00 1.82 4.39 -1.97 -1.64 114.58 118.33 2dao h GLU 62 Ca 0.13 -0.18 0.00 0.00 0.34 0.00 0.00 59.36 59.66 2dao h GLU 62 Cb 1.61 -0.21 0.00 0.00 -0.10 0.00 0.00 28.75 30.05 2dao h GLU 62 CO -0.00 0.90 -0.63 1.57 -1.16 0.00 0.00 179.01 179.70 2dao h LYS 63 N 1.14 0.00 0.08 2.33 2.10 -0.40 -3.37 116.57 118.44 2dao h LYS 63 Ca 0.27 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.92 2dao h LYS 63 Cb 0.13 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.46 2dao h LYS 63 CO -0.03 0.00 -0.04 1.98 -2.00 0.00 0.00 179.45 179.36 2dao h MET 64 N 0.00 -0.10 -1.11 0.07 4.05 -1.01 -3.30 114.93 113.52 2dao h MET 64 Ca 0.00 0.01 0.41 0.00 -0.28 0.00 0.00 59.70 59.84 2dao h MET 64 Cb 0.85 0.02 -0.14 0.00 -0.80 0.00 0.00 31.60 31.53 2dao h MET 64 CO 0.00 -0.07 0.68 0.45 0.23 0.00 0.00 176.91 178.21 2dao n SER 65 N -2.81 0.23 -0.28 1.39 2.88 -0.66 -0.77 113.62 113.60 2dao n SER 65 Ca -0.01 1.33 -0.02 0.00 -1.33 0.00 0.00 58.87 58.84 2dao n SER 65 Cb 0.04 -0.65 0.01 0.00 -0.75 0.00 0.00 64.21 62.86 2dao n SER 65 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2dao n ARG 66 N -4.69 -0.19 0.03 -1.46 5.12 -1.24 -0.95 116.66 113.27 2dao n ARG 66 Ca 0.35 1.09 -0.03 0.00 -1.93 0.00 0.00 57.85 57.34 2dao n ARG 66 Cb 1.32 -1.62 -0.02 0.00 -1.16 0.00 0.00 32.46 30.98 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 0.89 -0.72 -1.06 7.54 0.00 -1.16 -1.65 119.26 123.10 2dao h ALA 67 Ca 0.23 -0.03 0.35 0.00 0.00 0.00 0.00 54.91 55.47 2dao h ALA 67 Cb 0.41 0.44 -0.09 0.00 0.00 0.00 0.00 17.79 18.55 2dao h ALA 67 CO -0.70 -0.73 0.70 1.28 0.00 0.00 0.00 179.25 179.80 2dao n LEU 68 N -2.92 0.13 0.31 0.00 7.99 -0.13 0.33 117.00 122.71 2dao n LEU 68 Ca -0.02 0.95 -0.12 0.00 -0.01 0.00 0.00 56.01 56.81 2dao n LEU 68 Cb 0.08 -0.47 -0.06 0.00 -0.11 0.00 0.00 43.42 42.86 2dao n LEU 68 CO 0.04 -1.02 0.47 -0.09 -1.51 0.00 0.00 177.39 175.28 2dao h ARG 69 N 0.00 -0.76 -0.90 3.23 1.12 -0.68 -2.17 114.38 114.21 2dao h ARG 69 Ca 0.64 0.05 0.35 0.00 -1.11 0.00 0.00 59.98 59.91 2dao h ARG 69 Cb 2.15 0.17 -0.16 0.00 -0.01 0.00 0.00 29.97 32.12 2dao h ARG 69 CO -0.28 -0.51 0.40 0.72 -3.11 0.00 0.00 179.97 177.19 2dao n HIS 70 N -4.30 0.97 -0.16 2.20 8.25 0.15 0.22 115.22 122.55 2dao n HIS 70 Ca -0.10 1.07 -0.12 0.00 -0.26 0.00 0.00 57.72 58.32 2dao n HIS 70 Cb 0.31 -1.42 -0.00 0.00 1.12 0.00 0.00 29.99 30.00 2dao n HIS 70 CO 0.00 0.00 0.00 1.88 0.64 0.00 0.00 176.34 178.86 2dao h TYR 71 N 0.00 1.15 -0.82 4.41 0.05 -1.39 -3.18 116.97 117.19 2dao h TYR 71 Ca 0.73 -0.28 0.16 0.00 0.05 0.00 0.00 58.73 59.38 2dao h TYR 71 Cb 1.86 -0.27 -0.15 0.00 1.01 0.00 0.00 36.73 39.18 2dao h TYR 71 CO -0.09 1.11 -0.23 1.88 -1.05 0.00 0.00 178.16 179.78 2dao h TYR 72 N 0.86 -0.53 -0.99 4.88 0.05 0.34 0.53 116.97 122.11 2dao h TYR 72 Ca 0.11 0.08 0.03 0.00 0.05 0.00 0.00 58.73 58.99 2dao h TYR 72 Cb 0.80 0.36 -0.05 0.00 1.01 0.00 0.00 36.73 38.85 2dao h TYR 72 CO 0.05 -0.36 0.65 -0.22 -1.05 0.00 0.00 178.16 177.23 2dao h LYS 73 N -0.02 1.25 0.00 4.88 3.64 -1.51 0.22 116.57 125.03 2dao h LYS 73 Ca 0.38 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.68 2dao h LYS 73 Cb 0.60 -0.28 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 2dao h LYS 73 CO -0.85 0.83 0.00 1.28 -2.27 0.00 0.00 179.45 178.44 2dao n LEU 74 N -4.42 0.00 -1.72 5.20 4.77 0.18 -4.82 117.00 116.20 2dao n LEU 74 Ca 0.13 0.37 -0.09 0.00 -0.03 0.00 0.00 56.01 56.39 2dao n LEU 74 Cb 0.06 -0.37 0.03 0.00 -2.33 0.00 0.00 43.42 40.81 2dao n LEU 74 CO 0.36 -0.29 0.08 -3.20 -1.33 0.00 0.00 177.39 173.01 2dao n ASN 75 N -1.37 -3.36 -0.07 -1.43 2.85 0.07 -4.97 115.26 106.98 2dao n ASN 75 Ca 0.03 -0.21 -0.13 0.00 -0.11 0.00 0.00 54.58 54.16 2dao n ASN 75 Cb 0.06 -2.22 -0.06 0.00 1.24 0.00 0.00 39.78 38.81 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 -3.22 0.78 -4.83 -1.44 5.41 -1.17 -4.24 119.36 110.65 2dao n ILE 76 Ca -0.02 -0.24 -0.25 0.00 1.00 0.00 0.00 62.75 63.24 2dao n ILE 76 Cb 0.53 -1.38 -0.15 0.00 -0.71 0.00 0.00 39.64 37.92 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 -2.27 1.37 -0.15 1.39 1.01 -1.26 -1.34 121.20 119.96 2dao s ILE 77 Ca -0.19 -0.73 0.00 0.00 0.00 0.00 0.00 60.65 59.73 2dao s ILE 77 Cb 0.06 -1.15 -0.01 0.00 0.01 0.00 0.00 42.46 41.38 2dao s ILE 77 CO 0.28 0.39 -0.15 -0.60 0.00 0.00 0.00 174.94 174.86 2dao s ARG 78 N -0.30 3.26 -0.64 2.79 6.06 -0.07 -3.99 118.95 126.06 2dao s ARG 78 Ca 0.04 -0.73 -0.18 0.00 -2.50 0.00 0.00 55.73 52.36 2dao s ARG 78 Cb -0.08 -2.62 0.12 0.00 0.06 0.00 0.00 34.95 32.43 2dao s ARG 78 CO -0.00 0.08 0.73 0.21 -2.50 0.00 0.00 175.30 173.82 2dao s LYS 79 N 0.66 3.14 0.21 5.12 2.20 -1.26 -0.65 119.74 129.16 2dao s LYS 79 Ca -0.08 -1.50 -0.32 0.00 -0.36 0.00 0.00 55.97 53.71 2dao s LYS 79 Cb -0.16 -4.34 -0.13 0.00 -1.51 0.00 0.00 37.83 31.69 2dao s LYS 79 CO 0.02 -1.53 1.58 0.39 -0.36 0.00 0.00 175.35 175.46 2dao n GLU 80 N 6.05 2.36 0.02 4.03 -0.58 -1.07 -4.92 120.64 126.52 2dao n GLU 80 Ca -0.05 0.85 -0.13 0.00 -0.42 0.00 0.00 57.16 57.41 2dao n GLU 80 Cb 0.43 -2.62 -0.09 0.00 -0.57 0.00 0.00 31.44 28.59 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 5.65 -0.07 -1.41 3.49 0.13 -1.94 -3.20 132.00 134.65 2dao h PRO 81 Ca -0.45 0.01 0.47 0.00 -0.87 0.00 0.00 66.00 65.15 2dao h PRO 81 Cb 1.24 0.02 -0.13 0.00 0.13 0.00 0.00 31.00 32.26 2dao h PRO 81 CO 0.87 0.39 0.92 0.78 -0.23 0.00 0.00 178.00 180.72 2dao h GLY 82 N -0.57 1.22 -5.16 1.56 0.00 -2.00 -3.36 103.07 94.76 2dao h GLY 82 Ca -0.01 -0.09 -0.68 0.00 0.00 0.00 0.00 47.33 46.55 2dao h GLY 82 CO 0.01 -0.41 -0.76 1.20 0.00 0.00 0.00 176.54 176.59 2dao s GLN 83 N -5.24 2.81 0.00 4.80 -1.52 -1.21 -5.06 119.66 114.24 2dao s GLN 83 Ca -0.07 -0.68 0.00 0.00 -1.95 0.00 0.00 55.36 52.66 2dao s GLN 83 Cb 0.30 -2.48 0.00 0.00 -0.22 0.00 0.00 33.01 30.61 2dao s GLN 83 CO 0.83 0.50 0.93 0.54 -0.25 0.00 0.00 175.29 177.84 2dao n ARG 84 N 2.69 0.00 -3.00 2.91 3.00 -1.26 -3.99 116.66 117.01 2dao n ARG 84 Ca -0.18 0.46 -0.44 0.00 -0.01 0.00 0.00 57.85 57.69 2dao n ARG 84 Cb 0.52 -1.45 0.00 0.00 0.00 0.00 0.00 32.46 31.54 2dao n ARG 84 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 2dao n LEU 85 N -1.89 5.83 -3.85 0.55 4.32 -1.26 -4.94 117.00 115.76 2dao n LEU 85 Ca 0.00 -4.86 -0.20 0.00 -0.02 0.00 0.00 56.01 50.93 2dao n LEU 85 Cb 0.00 -1.47 -0.17 0.00 -1.62 0.00 0.00 43.42 40.16 2dao n LEU 85 CO 0.00 1.26 -0.40 -0.22 -1.22 0.00 0.00 177.39 176.82 2dao s LEU 86 N -0.67 1.12 0.04 2.23 1.98 -1.26 -3.35 118.68 118.78 2dao s LEU 86 Ca 0.36 -0.11 0.05 0.00 -2.89 0.00 0.00 54.13 51.54 2dao s LEU 86 Cb -0.02 -0.42 -0.02 0.00 0.66 0.00 0.00 46.19 46.39 2dao s LEU 86 CO -0.00 -0.10 -0.14 -0.36 -1.89 0.00 0.00 176.35 173.86 2dao s PHE 87 N 1.20 1.27 -0.09 5.38 0.08 -0.69 -2.61 117.98 122.52 2dao s PHE 87 Ca -0.07 -0.35 -0.00 0.00 0.12 0.00 0.00 56.93 56.63 2dao s PHE 87 Cb -0.14 -0.76 0.02 0.00 -0.57 0.00 0.00 43.02 41.58 2dao s PHE 87 CO -0.02 0.03 -0.06 0.50 -0.10 0.00 0.00 175.22 175.58 2dao s ARG 88 N -1.08 1.26 -0.92 0.44 3.52 0.17 -1.31 118.95 121.03 2dao s ARG 88 Ca 0.02 -0.16 -0.24 0.00 -0.13 0.00 0.00 55.73 55.22 2dao s ARG 88 Cb -0.08 -1.37 0.02 0.00 -1.56 0.00 0.00 34.95 31.96 2dao s ARG 88 CO 0.01 -0.24 1.57 -0.06 -0.81 0.00 0.00 175.30 175.77 2dao s PHE 89 N 1.65 2.26 0.00 5.12 0.08 -0.91 -0.89 117.98 125.30 2dao s PHE 89 Ca 0.03 -0.26 0.00 0.00 0.12 0.00 0.00 56.93 56.82 2dao s PHE 89 Cb -0.13 -4.49 0.00 0.00 -0.57 0.00 0.00 43.02 37.83 2dao s PHE 89 CO -0.06 -1.94 0.78 -1.33 -0.10 0.00 0.00 175.22 172.57 2dao n MET 90 N 8.97 0.00 -3.40 0.44 2.81 -0.45 -4.76 117.12 120.73 2dao n MET 90 Ca 0.29 0.30 -0.31 0.00 -1.81 0.00 0.00 57.70 56.17 2dao n MET 90 Cb 0.50 -1.29 -0.05 0.00 -0.71 0.00 0.00 33.22 31.67 2dao n MET 90 CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 2dao s LYS 91 N -2.16 3.73 0.20 0.03 2.47 -1.23 -5.03 119.74 117.75 2dao s LYS 91 Ca 0.00 0.17 -0.31 0.00 -1.56 0.00 0.00 55.97 54.26 2dao s LYS 91 Cb 0.00 -2.66 -0.11 0.00 -1.46 0.00 0.00 37.83 33.60 2dao s LYS 91 CO 0.00 0.29 1.62 0.99 0.16 0.00 0.00 175.35 178.42 2dao s THR 92 N -1.89 2.32 0.26 3.43 2.01 -1.26 -4.90 115.64 115.61 2dao s THR 92 Ca 0.46 0.24 0.19 0.00 0.31 0.00 0.00 61.69 62.89 2dao s THR 92 Cb -0.11 -3.15 0.16 0.00 0.01 0.00 0.00 72.50 69.41 2dao s THR 92 CO 0.24 0.02 1.82 1.55 -0.69 0.00 0.00 174.62 177.57 2dao h PRO 93 N 6.45 0.00 0.00 4.92 0.13 -1.96 -2.50 132.00 139.04 2dao h PRO 93 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 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 0.91 0.32 0.00 -0.25 -0.23 0.00 0.00 178.00 178.75 2dao n ASP 94 N -3.66 0.00 -0.07 1.44 8.00 -1.26 -3.59 116.55 117.42 2dao n ASP 94 Ca -0.01 0.14 -0.16 0.00 0.71 0.00 0.00 54.79 55.47 2dao n ASP 94 Cb 0.43 -0.38 -0.13 0.00 -0.02 0.00 0.00 41.12 41.03 2dao n ASP 94 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 2dao h GLU 95 N 0.00 0.03 -0.47 -1.24 3.07 -1.81 -3.37 114.58 110.80 2dao h GLU 95 Ca 0.00 -0.05 0.04 0.00 -0.50 0.00 0.00 59.36 58.85 2dao h GLU 95 Cb 0.35 0.02 -0.04 0.00 -0.84 0.00 0.00 28.75 28.24 2dao h GLU 95 CO 0.00 1.02 0.23 0.82 -1.40 0.00 0.00 179.01 179.68 2dao h ILE 96 N -0.94 0.95 -0.92 3.13 5.03 -1.64 -2.31 117.51 120.82 2dao h ILE 96 Ca -0.08 -0.16 0.34 0.00 -0.12 0.00 0.00 64.86 64.85 2dao h ILE 96 Cb 1.12 0.46 -0.17 0.00 -3.03 0.00 0.00 36.82 35.20 2dao h ILE 96 CO -0.02 0.08 0.34 0.23 -0.68 0.00 0.00 178.15 178.10 2dao n MET 97 N -4.91 -0.06 -3.53 2.37 2.81 -1.24 -3.42 117.12 109.15 2dao n MET 97 Ca 0.04 1.30 -0.42 0.00 -1.81 0.00 0.00 57.70 56.81 2dao n MET 97 Cb 0.13 -2.25 -0.09 0.00 -0.71 0.00 0.00 33.22 30.30 2dao n MET 97 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 2dao s SER 98 N -4.70 5.84 0.00 7.83 0.01 -0.87 -4.72 113.70 117.08 2dao s SER 98 Ca -0.09 -1.33 0.00 0.00 1.31 0.00 0.00 55.95 55.84 2dao s SER 98 Cb 0.30 -2.06 0.00 0.00 0.21 0.00 0.00 66.02 64.46 2dao s SER 98 CO 0.72 -0.54 0.00 0.61 0.41 0.00 0.00 173.24 174.43 2dao n GLY 99 N 5.03 0.25 2.20 3.44 0.00 -1.22 -4.94 105.19 109.96 2dao n GLY 99 Ca -0.11 -0.14 -0.08 0.00 0.00 0.00 0.00 46.02 45.68 2dao n GLY 99 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2dao n ARG 100 N -1.53 -1.88 -3.64 1.61 3.00 -1.26 -5.03 116.66 107.92 2dao n ARG 100 Ca 0.00 0.32 -0.05 0.00 -0.00 0.00 0.00 57.85 58.12 2dao n ARG 100 Cb 0.00 -3.94 -0.06 0.00 0.00 0.00 0.00 32.46 28.46 2dao n ARG 100 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 2dao s THR 101 N -2.80 -0.37 -1.48 5.15 2.01 -1.26 -4.96 115.64 111.94 2dao s THR 101 Ca 0.12 0.00 -0.03 0.00 0.31 0.00 0.00 61.69 62.09 2dao s THR 101 Cb -0.05 -0.99 0.00 0.00 0.01 0.00 0.00 72.50 71.47 2dao s THR 101 CO 0.15 0.00 0.06 -0.90 -0.69 0.00 0.00 174.62 173.24 2dao n ASP 102 N 4.74 0.46 -3.33 3.53 5.75 -1.26 -4.67 116.55 121.77 2dao n ASP 102 Ca -0.17 -1.25 -0.40 0.00 -0.01 0.00 0.00 54.79 52.95 2dao n ASP 102 Cb 0.55 -1.55 -0.04 0.00 -1.03 0.00 0.00 41.12 39.05 2dao n ASP 102 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2dao n ARG 103 N -4.55 0.00 0.26 0.11 1.74 -1.26 -4.79 116.66 108.16 2dao n ARG 103 Ca -0.30 0.00 0.15 0.00 -0.77 0.00 0.00 57.85 56.93 2dao n ARG 103 Cb 0.67 -0.95 0.58 0.00 -1.02 0.00 0.00 32.46 31.73 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 1.56 0.00 -2.12 0.55 6.46 -1.88 -2.94 115.31 116.95 2dao h LEU 104 Ca -0.30 0.00 0.06 0.00 -0.12 0.00 0.00 57.88 57.52 2dao h LEU 104 Cb 1.07 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.99 2dao h LEU 104 CO 0.46 0.07 0.19 -0.33 -0.62 0.00 0.00 178.44 178.20 2dao h GLU 105 N 0.00 0.00 -1.21 1.25 3.07 -1.98 -1.73 114.58 113.99 2dao h GLU 105 Ca -0.00 0.00 0.35 0.00 -0.50 0.00 0.00 59.36 59.21 2dao h GLU 105 Cb 0.62 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 28.48 2dao h GLU 105 CO 0.01 0.00 0.97 1.25 -1.40 0.00 0.00 179.01 179.84 2dao h HIS 106 N 0.00 0.00 -0.65 4.33 2.76 -1.86 1.06 115.15 120.78 2dao h HIS 106 Ca 0.10 0.00 -0.36 0.00 -2.20 0.00 0.00 60.37 57.92 2dao h HIS 106 Cb 0.47 0.00 -0.20 0.00 1.55 0.00 0.00 27.41 29.23 2dao h HIS 106 CO 0.00 0.00 0.45 1.28 -1.30 0.00 0.00 177.93 178.36 2dao n LEU 107 N -3.90 5.69 -0.04 0.26 4.77 -0.65 -4.40 117.00 118.72 2dao n LEU 107 Ca 0.26 -3.00 -0.14 0.00 -0.03 0.00 0.00 56.01 53.10 2dao n LEU 107 Cb 1.36 -0.77 -0.08 0.00 -2.33 0.00 0.00 43.42 41.59 2dao n LEU 107 CO 0.37 0.94 0.54 -0.08 -1.33 0.00 0.00 177.39 177.82 2dao h GLU 108 N 0.82 0.33 -1.00 3.23 4.81 0.96 -3.37 114.58 120.37 2dao h GLU 108 Ca 0.41 -0.21 -0.43 0.00 -0.13 0.00 0.00 59.36 59.00 2dao h GLU 108 Cb 1.99 0.02 -0.41 0.00 0.63 0.00 0.00 28.75 30.99 2dao h GLU 108 CO 0.78 0.80 -0.99 0.45 -0.73 0.00 0.00 179.01 179.31 2dao n SER 109 N -4.52 2.91 -0.07 1.04 2.88 -1.26 -4.83 113.62 109.77 2dao n SER 109 Ca -0.07 -3.02 -0.07 0.00 -1.33 0.00 0.00 58.87 54.38 2dao n SER 109 Cb 0.41 -0.47 -0.03 0.00 -0.75 0.00 0.00 64.21 63.37 2dao n SER 109 CO 0.00 0.00 0.00 -0.61 -1.23 0.00 0.00 175.04 173.20 2dao h GLN 110 N 2.68 0.00 0.61 -1.46 -0.00 -1.78 -3.31 115.11 111.86 2dao h GLN 110 Ca 0.08 0.00 -0.03 0.00 -0.00 0.00 0.00 58.65 58.70 2dao h GLN 110 Cb 1.18 0.00 0.01 0.00 0.00 0.00 0.00 27.48 28.66 2dao h GLN 110 CO 0.58 0.21 -0.29 0.93 0.00 0.00 0.00 178.83 180.26 2dao h GLU 111 N -1.00 -0.79 -0.91 1.69 4.39 -1.89 -3.26 114.58 112.80 2dao h GLU 111 Ca -0.06 0.05 0.08 0.00 0.34 0.00 0.00 59.36 59.78 2dao h GLU 111 Cb 0.55 0.18 -0.11 0.00 -0.10 0.00 0.00 28.75 29.27 2dao h GLU 111 CO -0.03 -0.51 -0.54 1.28 -1.16 0.00 0.00 179.01 178.05 2dao n LEU 112 N -5.33 -0.97 -3.50 1.33 4.77 -1.26 -4.63 117.00 107.42 2dao n LEU 112 Ca -0.11 1.71 0.00 0.00 -0.03 0.00 0.00 56.01 57.59 2dao n LEU 112 Cb 0.33 -0.25 -0.04 0.00 -2.33 0.00 0.00 43.42 41.13 2dao n LEU 112 CO 0.26 -1.37 0.48 -0.55 -1.33 0.00 0.00 177.39 174.89 2dao s SER 113 N -5.28 -0.78 0.00 -1.43 0.15 -1.25 -5.17 113.70 99.94 2dao s SER 113 Ca -0.11 1.08 0.00 0.00 0.70 0.00 0.00 55.95 57.62 2dao s SER 113 Cb 0.10 1.88 0.00 0.00 -1.71 0.00 0.00 66.02 66.29 2dao s SER 113 CO 0.57 -0.15 0.00 0.61 1.20 0.00 0.00 173.24 175.46 2dao n GLY 114 N 5.11 1.33 0.18 9.45 0.00 -1.23 -4.45 105.19 115.58 2dao n GLY 114 Ca -0.10 -1.63 -0.02 0.00 0.00 0.00 0.00 46.02 44.27 2dao n GLY 114 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dao h PRO 115 N 0.00 0.15 -4.46 1.61 0.13 -1.93 -3.46 132.00 124.05 2dao h PRO 115 Ca 0.00 -0.08 -0.62 0.00 -0.87 0.00 0.00 66.00 64.43 2dao h PRO 115 Cb 0.00 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.16 2dao h PRO 115 CO 0.00 0.60 0.27 -1.13 -0.23 0.00 0.00 178.00 177.51 2dao n SER 116 N -3.98 0.43 -4.38 1.44 3.41 -1.26 -4.86 113.62 104.43 2dao n SER 116 Ca -0.02 0.87 -0.45 0.00 -0.26 0.00 0.00 58.87 59.02 2dao n SER 116 Cb 0.51 -0.67 -0.07 0.00 -0.26 0.00 0.00 64.21 63.72 2dao n SER 116 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2dao s SER 117 N 1.08 6.15 0.00 4.04 0.01 -1.26 -5.13 113.70 118.59 2dao s SER 117 Ca 0.73 -1.38 0.00 0.00 1.31 0.00 0.00 55.95 56.60 2dao s SER 117 Cb -1.03 -2.19 0.00 0.00 0.21 0.00 0.00 66.02 63.02 2dao s SER 117 CO 0.51 -0.67 0.00 0.61 0.41 0.00 0.00 173.24 174.10