#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 2.97 0.17 1.61 0.01 -1.26 -5.13 113.70 112.07 2dao s SER 2 Ca 0.00 -0.73 0.11 0.00 1.31 0.00 0.00 55.95 56.64 2dao s SER 2 Cb 0.00 -0.96 -0.04 0.00 0.21 0.00 0.00 66.02 65.22 2dao s SER 2 CO 0.00 -0.18 -0.24 -0.94 0.41 0.00 0.00 173.24 172.29 2dao s SER 3 N 1.59 3.25 0.00 2.44 1.04 -1.26 -5.08 113.70 115.69 2dao s SER 3 Ca 0.00 -0.83 0.00 0.00 0.48 0.00 0.00 55.95 55.60 2dao s SER 3 Cb -0.16 -0.23 0.00 0.00 0.10 0.00 0.00 66.02 65.74 2dao s SER 3 CO -0.08 0.11 0.00 0.61 0.98 0.00 0.00 173.24 174.86 2dao n GLY 4 N 0.47 2.22 3.29 7.32 0.00 -1.26 -5.12 105.19 112.11 2dao n GLY 4 Ca -0.14 -1.83 -0.11 0.00 0.00 0.00 0.00 46.02 43.94 2dao n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dao s SER 5 N 0.00 -0.17 -0.17 1.61 0.15 -1.26 -5.15 113.70 108.71 2dao s SER 5 Ca 0.00 -0.25 -0.01 0.00 0.70 0.00 0.00 55.95 56.39 2dao s SER 5 Cb 0.00 0.41 0.05 0.00 -1.71 0.00 0.00 66.02 64.77 2dao s SER 5 CO 0.00 -0.73 -0.04 -0.44 1.20 0.00 0.00 173.24 173.23 2dao s SER 6 N -2.43 2.88 0.00 5.45 0.01 -1.26 -5.08 113.70 113.28 2dao s SER 6 Ca -0.01 -0.71 0.00 0.00 1.31 0.00 0.00 55.95 56.54 2dao s SER 6 Cb 0.01 -0.87 0.00 0.00 0.21 0.00 0.00 66.02 65.37 2dao s SER 6 CO -0.07 -0.21 0.00 0.61 0.41 0.00 0.00 173.24 173.98 2dao n GLY 7 N 4.89 4.19 3.76 3.44 0.00 -1.26 -5.09 105.19 115.12 2dao n GLY 7 Ca -0.11 -1.37 -0.39 0.00 0.00 0.00 0.00 46.02 44.15 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 -0.19 2.54 0.19 0.00 6.06 -1.26 -5.04 118.95 121.24 2dao s ARG 9 Ca 0.30 -2.76 0.00 0.00 -2.50 0.00 0.00 55.73 50.78 2dao s ARG 9 Cb -0.18 -3.64 -0.00 0.00 0.06 0.00 0.00 34.95 31.19 2dao s ARG 9 CO 0.16 -1.19 0.24 1.28 -2.50 0.00 0.00 175.30 173.30 2dao n LEU 10 N 3.06 0.00 0.04 -0.88 4.77 -1.26 -4.55 117.00 118.17 2dao n LEU 10 Ca 0.11 -1.62 -0.01 0.00 -0.03 0.00 0.00 56.01 54.46 2dao n LEU 10 Cb 0.36 1.28 -0.00 0.00 -2.33 0.00 0.00 43.42 42.73 2dao n LEU 10 CO 0.33 -0.34 -0.05 -0.11 -1.33 0.00 0.00 177.39 175.89 2dao n LEU 11 N 0.00 1.09 -0.41 2.23 7.94 -1.26 -4.47 117.00 122.12 2dao n LEU 11 Ca 0.01 0.14 0.34 0.00 -1.11 0.00 0.00 56.01 55.40 2dao n LEU 11 Cb 0.33 -0.35 0.57 0.00 0.53 0.00 0.00 43.42 44.50 2dao n LEU 11 CO 0.16 -0.70 1.03 -2.67 -1.11 0.00 0.00 177.39 174.10 2dao n TRP 12 N -3.49 0.55 -0.03 1.96 4.27 -1.26 0.23 117.44 119.66 2dao n TRP 12 Ca -0.01 0.55 -0.15 0.00 -3.89 0.00 0.00 57.50 54.00 2dao n TRP 12 Cb 0.04 -0.97 -0.08 0.00 -1.36 0.00 0.00 31.31 28.94 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 0.56 -0.85 -0.67 3.58 -2.02 -3.14 116.42 113.88 2dao h ASP 13 Ca 0.74 -0.63 0.25 0.00 0.42 0.00 0.00 57.03 57.80 2dao h ASP 13 Cb 2.42 -0.16 -0.03 0.00 1.72 0.00 0.00 39.33 43.28 2dao h ASP 13 CO -0.36 1.10 1.14 0.22 -2.88 0.00 0.00 179.24 178.45 2dao h TYR 14 N 0.06 0.00 0.00 0.28 3.20 0.27 -1.35 116.97 119.43 2dao h TYR 14 Ca -0.02 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.85 2dao h TYR 14 Cb 1.07 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.34 2dao h TYR 14 CO 0.11 0.00 0.00 0.28 -1.64 0.00 0.00 178.16 176.91 2dao n VAL 15 N -3.17 0.00 -0.36 1.81 0.31 -1.19 -3.18 118.33 112.54 2dao n VAL 15 Ca 0.19 1.40 -0.09 0.00 -0.01 0.00 0.00 64.34 65.83 2dao n VAL 15 Cb 1.40 -2.38 -0.08 0.00 -0.91 0.00 0.00 33.84 31.86 2dao n VAL 15 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2dao n TYR 16 N -1.74 -0.37 -0.24 3.52 9.36 -0.51 0.10 117.16 127.29 2dao n TYR 16 Ca 0.00 1.09 0.23 0.00 3.32 0.00 0.00 57.90 62.54 2dao n TYR 16 Cb 0.00 -0.58 0.42 0.00 -0.63 0.00 0.00 39.34 38.55 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 -5.10 -0.05 0.13 2.98 1.13 -1.23 -0.42 117.38 114.83 2dao n GLN 17 Ca 0.02 1.05 -0.06 0.00 -1.94 0.00 0.00 57.00 56.08 2dao n GLN 17 Cb 0.23 -1.87 -0.03 0.00 0.11 0.00 0.00 30.24 28.69 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 -0.32 -0.84 1.08 3.38 0.74 -3.26 115.31 116.10 2dao h LEU 18 Ca 0.62 0.01 0.11 0.00 0.09 0.00 0.00 57.88 58.71 2dao h LEU 18 Cb 1.61 0.08 -0.12 0.00 0.09 0.00 0.00 40.66 42.32 2dao h LEU 18 CO -0.60 -0.02 -0.39 0.18 0.09 0.00 0.00 178.44 177.70 2dao n LEU 19 N -4.14 -0.67 -0.28 1.67 7.99 0.44 0.55 117.00 122.57 2dao n LEU 19 Ca -0.05 1.48 0.01 0.00 -0.01 0.00 0.00 56.01 57.44 2dao n LEU 19 Cb 0.15 -0.29 0.07 0.00 -0.11 0.00 0.00 43.42 43.24 2dao n LEU 19 CO 0.11 -1.28 0.67 0.28 -1.51 0.00 0.00 177.39 175.66 2dao h SER 20 N 0.00 -0.94 -2.13 -1.43 0.02 -1.40 -3.29 113.55 104.37 2dao h SER 20 Ca 0.24 0.25 -0.53 0.00 -0.84 0.00 0.00 61.79 60.90 2dao h SER 20 Cb 0.45 0.56 -0.07 0.00 0.14 0.00 0.00 62.40 63.47 2dao h SER 20 CO -0.82 -0.28 1.14 -0.62 -1.14 0.00 0.00 176.83 175.11 2dao s ASP 21 N -5.25 6.03 0.30 3.07 -1.08 0.19 -4.86 116.67 115.07 2dao s ASP 21 Ca -0.14 -0.43 0.06 0.00 -0.52 0.00 0.00 52.55 51.51 2dao s ASP 21 Cb 0.21 -2.56 0.75 0.00 -1.46 0.00 0.00 42.92 39.87 2dao s ASP 21 CO 0.74 -1.91 1.74 0.77 0.52 0.00 0.00 175.17 177.03 2dao h SER 22 N 10.83 0.63 -1.46 -0.34 4.64 -1.76 0.11 113.55 126.20 2dao h SER 22 Ca -0.22 0.12 0.42 0.00 -0.47 0.00 0.00 61.79 61.64 2dao h SER 22 Cb 1.06 0.02 -0.06 0.00 -0.31 0.00 0.00 62.40 63.11 2dao h SER 22 CO 1.28 0.16 1.22 0.03 -0.87 0.00 0.00 176.83 178.65 2dao h ARG 23 N 0.62 0.00 -1.01 4.77 3.08 -1.90 1.81 114.38 121.75 2dao h ARG 23 Ca 0.58 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 60.06 2dao h ARG 23 Cb 1.00 0.00 -0.29 0.00 0.08 0.00 0.00 29.97 30.75 2dao h ARG 23 CO -0.44 0.00 0.74 0.66 -1.07 0.00 0.00 179.97 179.86 2dao n TYR 24 N -3.73 3.07 -0.03 3.04 4.02 0.37 -4.52 117.16 119.38 2dao n TYR 24 Ca 0.32 -2.32 -0.12 0.00 -0.01 0.00 0.00 57.90 55.77 2dao n TYR 24 Cb 1.66 -1.15 -0.10 0.00 -0.02 0.00 0.00 39.34 39.73 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 1.41 -0.04 -0.99 -0.72 5.08 0.27 -2.02 114.58 117.56 2dao h GLU 25 Ca 0.61 0.00 0.27 0.00 -1.00 0.00 0.00 59.36 59.24 2dao h GLU 25 Cb 1.96 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 31.16 2dao h GLU 25 CO 1.29 0.66 0.68 -0.91 -1.00 0.00 0.00 179.01 179.73 2dao h ASN 26 N -0.86 0.20 0.19 1.42 2.35 -1.79 0.12 115.58 117.21 2dao h ASN 26 Ca -0.00 0.03 -0.29 0.00 -0.55 0.00 0.00 56.30 55.49 2dao h ASN 26 Cb 0.71 -0.00 0.02 0.00 0.05 0.00 0.00 38.32 39.10 2dao h ASN 26 CO 0.01 0.06 -1.34 -0.26 -1.65 0.00 0.00 177.43 174.24 2dao h PHE 27 N 0.19 0.74 -1.94 1.19 0.04 -1.89 -3.39 116.94 111.88 2dao h PHE 27 Ca 0.51 -0.54 0.08 0.00 2.80 0.00 0.00 57.97 60.81 2dao h PHE 27 Cb 1.66 -0.03 -0.20 0.00 2.20 0.00 0.00 35.95 39.57 2dao h PHE 27 CO -0.00 1.52 -0.09 -1.50 -0.60 0.00 0.00 178.31 177.64 2dao s ILE 28 N -2.53 -0.83 0.34 -0.55 2.07 0.02 -1.07 121.20 118.64 2dao s ILE 28 Ca -0.13 0.00 0.09 0.00 -1.41 0.00 0.00 60.65 59.20 2dao s ILE 28 Cb 0.03 -1.00 -0.07 0.00 0.13 0.00 0.00 42.46 41.56 2dao s ILE 28 CO 0.87 0.00 -0.08 0.00 -1.91 0.00 0.00 174.94 173.82 2dao s ARG 29 N 2.70 1.80 -0.14 3.50 1.70 -1.17 -4.04 118.95 123.29 2dao s ARG 29 Ca -0.06 -1.94 -0.29 0.00 -0.47 0.00 0.00 55.73 52.97 2dao s ARG 29 Cb -0.11 -1.64 -0.03 0.00 -0.57 0.00 0.00 34.95 32.60 2dao s ARG 29 CO -0.19 0.11 1.51 -1.58 -1.08 0.00 0.00 175.30 174.07 2dao s TRP 30 N -2.66 2.30 -0.04 5.89 0.23 -1.26 -3.23 118.94 120.17 2dao s TRP 30 Ca 0.32 0.56 -0.10 0.00 -2.03 0.00 0.00 56.10 54.85 2dao s TRP 30 Cb 0.03 -3.81 -0.06 0.00 0.03 0.00 0.00 33.47 29.66 2dao s TRP 30 CO 0.16 -2.86 0.49 1.49 0.96 0.00 0.00 176.95 177.19 2dao h GLU 31 N 9.46 -0.36 -2.66 4.98 4.22 0.27 -3.43 114.58 127.06 2dao h GLU 31 Ca -0.33 0.02 -0.60 0.00 0.08 0.00 0.00 59.36 58.54 2dao h GLU 31 Cb 1.14 0.08 -0.39 0.00 0.50 0.00 0.00 28.75 30.08 2dao h GLU 31 CO 0.98 -0.24 -0.84 -0.51 -2.18 0.00 0.00 179.01 176.22 2dao s ASP 32 N -4.56 2.78 0.64 1.04 1.01 0.64 -4.95 116.67 113.27 2dao s ASP 32 Ca -0.05 -2.83 0.15 0.00 0.71 0.00 0.00 52.55 50.53 2dao s ASP 32 Cb 0.01 -0.72 0.72 0.00 1.01 0.00 0.00 42.92 43.93 2dao s ASP 32 CO 0.16 -0.22 1.36 0.11 0.21 0.00 0.00 175.17 176.80 2dao h LYS 33 N 6.23 0.00 -0.63 8.23 1.79 -1.83 0.61 116.57 130.97 2dao h LYS 33 Ca 0.13 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.58 2dao h LYS 33 Cb 0.91 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.53 2dao h LYS 33 CO 0.41 0.00 0.29 0.93 -1.08 0.00 0.00 179.45 180.00 2dao h GLU 34 N 0.00 0.91 -0.63 3.15 5.08 -1.94 -3.20 114.58 117.96 2dao h GLU 34 Ca 0.13 -0.14 -0.45 0.00 -1.00 0.00 0.00 59.36 57.89 2dao h GLU 34 Cb 1.82 -0.16 -0.39 0.00 0.50 0.00 0.00 28.75 30.52 2dao h GLU 34 CO -0.00 0.75 -0.85 0.45 -1.00 0.00 0.00 179.01 178.35 2dao n SER 35 N -4.48 4.05 -4.13 1.42 2.88 0.21 -4.96 113.62 108.61 2dao n SER 35 Ca 0.04 -3.44 -0.34 0.00 -1.33 0.00 0.00 58.87 53.80 2dao n SER 35 Cb 0.14 -0.38 -0.07 0.00 -0.75 0.00 0.00 64.21 63.15 2dao n SER 35 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2dao n LYS 36 N -0.70 -0.81 -3.16 -1.46 4.01 -0.78 -3.12 118.16 112.15 2dao n LYS 36 Ca 0.35 0.11 -0.40 0.00 -0.51 0.00 0.00 58.31 57.86 2dao n LYS 36 Cb 0.92 -3.80 -0.06 0.00 -0.51 0.00 0.00 35.03 31.58 2dao n LYS 36 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 2dao s ILE 37 N -3.34 5.05 0.31 -0.18 1.01 -0.99 -2.88 121.20 120.19 2dao s ILE 37 Ca 0.51 1.12 0.10 0.00 0.00 0.00 0.00 60.65 62.38 2dao s ILE 37 Cb -0.30 -3.91 -0.05 0.00 0.01 0.00 0.00 42.46 38.21 2dao s ILE 37 CO 0.89 0.14 -0.05 0.72 0.00 0.00 0.00 174.94 176.64 2dao s PHE 38 N 1.76 2.50 -0.20 3.97 -0.71 -1.03 0.24 117.98 124.52 2dao s PHE 38 Ca 0.28 -0.37 -0.04 0.00 -1.04 0.00 0.00 56.93 55.75 2dao s PHE 38 Cb -0.16 -1.30 0.09 0.00 -1.21 0.00 0.00 43.02 40.44 2dao s PHE 38 CO 0.10 0.57 0.19 0.50 -1.34 0.00 0.00 175.22 175.25 2dao s ARG 39 N -3.65 0.16 -0.76 1.99 3.52 -1.20 -2.98 118.95 116.03 2dao s ARG 39 Ca 0.33 0.13 -0.24 0.00 -0.13 0.00 0.00 55.73 55.82 2dao s ARG 39 Cb -0.02 -1.36 -0.15 0.00 -1.56 0.00 0.00 34.95 31.85 2dao s ARG 39 CO 0.18 -0.66 2.40 -0.89 -0.81 0.00 0.00 175.30 175.52 2dao n ILE 40 N 5.31 -0.02 -0.34 4.11 5.41 -1.23 -3.99 119.36 128.62 2dao n ILE 40 Ca -0.06 -0.55 0.17 0.00 1.00 0.00 0.00 62.75 63.32 2dao n ILE 40 Cb 0.49 -1.90 0.38 0.00 -0.71 0.00 0.00 39.64 37.90 2dao n ILE 40 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 2dao h VAL 41 N 7.64 0.50 -2.35 1.39 2.07 -1.36 -3.36 116.25 120.78 2dao h VAL 41 Ca -0.05 -0.18 -0.31 0.00 0.82 0.00 0.00 66.70 66.98 2dao h VAL 41 Cb 1.08 -0.06 -0.35 0.00 -1.52 0.00 0.00 31.29 30.44 2dao h VAL 41 CO 1.11 0.09 -0.62 -0.62 0.02 0.00 0.00 177.57 177.56 2dao s ASP 42 N -5.17 1.45 0.27 0.57 2.15 -0.95 -5.02 116.67 109.98 2dao s ASP 42 Ca -0.11 -0.39 0.05 0.00 0.43 0.00 0.00 52.55 52.53 2dao s ASP 42 Cb 0.27 0.47 0.39 0.00 -0.30 0.00 0.00 42.92 43.74 2dao s ASP 42 CO 0.79 -0.35 1.66 1.55 -0.17 0.00 0.00 175.17 178.65 2dao h PRO 43 N 8.29 0.26 -0.58 4.34 0.13 -1.87 -0.37 132.00 142.20 2dao h PRO 43 Ca -0.16 -0.14 -0.07 0.00 -0.87 0.00 0.00 66.00 64.76 2dao h PRO 43 Cb 1.12 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.23 2dao h PRO 43 CO 0.31 0.67 0.06 -0.97 -0.23 0.00 0.00 178.00 177.84 2dao h ASN 44 N 0.21 0.91 0.99 1.44 -1.24 -1.96 0.18 115.58 116.11 2dao h ASN 44 Ca 0.01 -0.21 -0.09 0.00 0.71 0.00 0.00 56.30 56.72 2dao h ASN 44 Cb 0.90 -0.24 -0.02 0.00 0.73 0.00 0.00 38.32 39.69 2dao h ASN 44 CO 0.07 0.93 -1.07 1.23 -1.29 0.00 0.00 177.43 177.30 2dao h GLY 45 N 1.01 0.00 0.49 1.57 0.00 -1.95 -3.34 103.07 100.86 2dao h GLY 45 Ca 0.18 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.35 2dao h GLY 45 CO 0.01 0.00 -0.73 -2.00 0.00 0.00 0.00 176.54 173.83 2dao h LEU 46 N 0.00 0.34 -0.18 3.11 7.12 -0.90 -3.32 115.31 121.48 2dao h LEU 46 Ca -0.08 -0.94 0.05 0.00 0.13 0.00 0.00 57.88 57.05 2dao h LEU 46 Cb 1.32 -0.11 -0.07 0.00 -0.53 0.00 0.00 40.66 41.27 2dao h LEU 46 CO 0.03 1.34 -0.38 0.00 -0.13 0.00 0.00 178.44 179.29 2dao h ALA 47 N 0.03 -0.48 -0.62 1.25 0.00 -0.81 -2.07 119.26 116.56 2dao h ALA 47 Ca -0.14 0.02 0.11 0.00 0.00 0.00 0.00 54.91 54.90 2dao h ALA 47 Cb 1.50 0.74 -0.12 0.00 0.00 0.00 0.00 17.79 19.92 2dao h ALA 47 CO 0.09 -0.87 -0.33 0.07 0.00 0.00 0.00 179.25 178.21 2dao h ARG 48 N -0.43 -0.14 -1.01 0.00 0.11 -1.72 0.42 114.38 111.61 2dao h ARG 48 Ca 0.10 0.01 0.24 0.00 0.10 0.00 0.00 59.98 60.42 2dao h ARG 48 Cb 0.59 0.03 -0.10 0.00 1.11 0.00 0.00 29.97 31.60 2dao h ARG 48 CO -0.41 -0.09 0.63 -0.07 0.10 0.00 0.00 179.97 180.12 2dao h LEU 49 N -0.15 0.59 -0.29 0.08 3.38 -1.48 0.20 115.31 117.64 2dao h LEU 49 Ca 0.24 0.10 -0.20 0.00 0.09 0.00 0.00 57.88 58.12 2dao h LEU 49 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 2dao h LEU 49 CO -0.70 0.14 -0.65 -0.25 0.09 0.00 0.00 178.44 177.07 2dao h TRP 50 N 0.53 0.99 0.43 1.13 2.91 0.16 -3.01 115.95 119.09 2dao h TRP 50 Ca 0.60 -0.39 -0.02 0.00 1.13 0.00 0.00 58.89 60.21 2dao h TRP 50 Cb 1.26 -0.17 0.00 0.00 -0.51 0.00 0.00 29.16 29.74 2dao h TRP 50 CO -0.00 1.20 -0.21 0.78 -1.03 0.00 0.00 178.44 179.18 2dao h GLY 51 N 0.75 -0.60 0.19 2.65 0.00 0.12 -2.68 103.07 103.50 2dao h GLY 51 Ca -0.01 0.22 0.18 0.00 0.00 0.00 0.00 47.33 47.72 2dao h GLY 51 CO 0.13 -0.22 0.62 -0.57 0.00 0.00 0.00 176.54 176.50 2dao h ASN 52 N -0.77 0.81 0.10 0.19 -0.73 -1.13 0.00 115.58 114.05 2dao h ASN 52 Ca -0.06 0.09 0.01 0.00 1.87 0.00 0.00 56.30 58.21 2dao h ASN 52 Cb 0.53 -0.06 -0.01 0.00 0.27 0.00 0.00 38.32 39.05 2dao h ASN 52 CO 0.10 0.31 -0.12 -0.74 -0.37 0.00 0.00 177.43 176.61 2dao h HIS 53 N 0.80 -0.30 -0.16 0.67 2.76 -1.41 -2.19 115.15 115.32 2dao h HIS 53 Ca 0.56 0.00 -0.10 0.00 -2.20 0.00 0.00 60.37 58.64 2dao h HIS 53 Cb 0.84 0.12 -0.05 0.00 1.55 0.00 0.00 27.41 29.87 2dao h HIS 53 CO -0.00 -0.18 0.13 1.63 -1.30 0.00 0.00 177.93 178.21 2dao n LYS 54 N -5.24 1.25 -3.75 5.26 4.76 -0.57 -4.81 118.16 115.06 2dao n LYS 54 Ca -0.07 -0.52 -0.22 0.00 -2.87 0.00 0.00 58.31 54.63 2dao n LYS 54 Cb 0.16 -1.20 -0.07 0.00 -1.84 0.00 0.00 35.03 32.08 2dao n LYS 54 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2dao n ASN 55 N 0.86 0.59 -4.18 4.39 3.02 -0.82 -4.89 115.26 114.22 2dao n ASN 55 Ca 0.10 -0.88 -0.24 0.00 -0.03 0.00 0.00 54.58 53.53 2dao n ASN 55 Cb 0.57 -1.10 -0.15 0.00 -0.61 0.00 0.00 39.78 38.50 2dao n ASN 55 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 2dao s ARG 56 N -6.00 1.33 0.26 3.52 6.06 -0.12 -5.02 118.95 118.98 2dao s ARG 56 Ca 0.02 -0.71 0.08 0.00 -2.50 0.00 0.00 55.73 52.62 2dao s ARG 56 Cb -0.01 -1.33 -0.04 0.00 0.06 0.00 0.00 34.95 33.63 2dao s ARG 56 CO 0.69 0.35 0.14 0.99 -2.50 0.00 0.00 175.30 174.97 2dao s THR 57 N -0.56 4.17 -1.42 4.11 2.01 -1.26 -3.47 115.64 119.22 2dao s THR 57 Ca 0.06 -1.55 -0.10 0.00 0.31 0.00 0.00 61.69 60.42 2dao s THR 57 Cb -0.07 -3.25 0.04 0.00 0.01 0.00 0.00 72.50 69.23 2dao s THR 57 CO 0.00 -0.36 1.06 0.59 -0.69 0.00 0.00 174.62 175.23 2dao n ASN 58 N -1.10 -5.11 -4.65 3.53 3.02 -1.26 -4.92 115.26 104.77 2dao n ASN 58 Ca -0.07 -0.66 -0.43 0.00 -0.03 0.00 0.00 54.58 53.38 2dao n ASN 58 Cb 0.58 -4.51 -0.02 0.00 -0.61 0.00 0.00 39.78 35.22 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 -6.35 4.21 -0.12 3.52 -2.45 -1.26 -5.03 119.30 111.82 2dao s MET 59 Ca 0.54 1.30 -0.02 0.00 -1.25 0.00 0.00 55.69 56.27 2dao s MET 59 Cb -0.25 -3.67 -0.03 0.00 1.25 0.00 0.00 34.83 32.13 2dao s MET 59 CO 0.78 -0.70 -0.05 -0.08 1.05 0.00 0.00 175.02 176.01 2dao s THR 60 N 3.33 3.79 0.42 10.11 -1.32 -1.26 -4.25 115.64 126.45 2dao s THR 60 Ca 0.45 -0.42 0.25 0.00 -1.21 0.00 0.00 61.69 60.76 2dao s THR 60 Cb -0.15 -2.61 0.44 0.00 -1.51 0.00 0.00 72.50 68.67 2dao s THR 60 CO 0.09 0.54 1.68 0.22 -2.21 0.00 0.00 174.62 174.93 2dao h TYR 61 N 6.13 0.60 -0.95 9.09 3.20 -1.91 0.67 116.97 133.78 2dao h TYR 61 Ca -0.37 0.02 0.16 0.00 3.14 0.00 0.00 58.73 61.68 2dao h TYR 61 Cb 1.19 -0.16 -0.08 0.00 1.54 0.00 0.00 36.73 39.22 2dao h TYR 61 CO 0.55 -0.11 0.60 0.93 -1.64 0.00 0.00 178.16 178.49 2dao h GLU 62 N 0.21 0.72 -0.00 1.82 4.39 -1.95 0.54 114.58 120.31 2dao h GLU 62 Ca 0.73 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 60.39 2dao h GLU 62 Cb 2.13 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 30.61 2dao h GLU 62 CO -0.39 0.48 -0.18 1.63 -1.16 0.00 0.00 179.01 179.39 2dao n LYS 63 N -4.63 0.17 -0.07 2.33 5.02 0.23 -4.07 118.16 117.14 2dao n LYS 63 Ca 0.20 -0.05 -0.08 0.00 -2.02 0.00 0.00 58.31 56.36 2dao n LYS 63 Cb 0.51 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 33.98 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 0.13 0.00 -1.20 1.97 4.05 0.27 -3.36 114.93 116.80 2dao h MET 64 Ca 0.00 0.00 0.35 0.00 -0.28 0.00 0.00 59.70 59.77 2dao h MET 64 Cb 0.46 0.00 -0.05 0.00 -0.80 0.00 0.00 31.60 31.21 2dao h MET 64 CO 0.00 0.26 1.11 1.03 0.23 0.00 0.00 176.91 179.54 2dao h SER 65 N -1.00 0.00 -0.21 1.39 0.87 -1.19 -1.84 113.55 111.56 2dao h SER 65 Ca -0.07 0.00 0.02 0.00 -1.23 0.00 0.00 61.79 60.51 2dao h SER 65 Cb 0.62 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.55 2dao h SER 65 CO -0.04 0.00 -0.21 0.03 -0.53 0.00 0.00 176.83 176.08 2dao h ARG 66 N 0.00 -0.10 -0.06 2.24 2.47 -1.71 -2.26 114.38 114.96 2dao h ARG 66 Ca 0.57 0.01 0.01 0.00 -1.26 0.00 0.00 59.98 59.30 2dao h ARG 66 Cb 2.77 0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 31.11 2dao h ARG 66 CO -0.01 -0.06 -0.04 0.00 0.56 0.00 0.00 179.97 180.42 2dao h ALA 67 N -0.72 -0.13 -0.83 0.04 0.00 -1.58 0.31 119.26 116.34 2dao h ALA 67 Ca 0.04 0.01 0.32 0.00 0.00 0.00 0.00 54.91 55.27 2dao h ALA 67 Cb 0.19 0.94 -0.11 0.00 0.00 0.00 0.00 17.79 18.81 2dao h ALA 67 CO -0.25 -0.16 0.49 1.28 0.00 0.00 0.00 179.25 180.60 2dao n LEU 68 N -3.09 0.20 0.07 0.00 7.99 -1.06 -0.31 117.00 120.80 2dao n LEU 68 Ca 0.00 1.09 -0.03 0.00 -0.01 0.00 0.00 56.01 57.06 2dao n LEU 68 Cb 0.02 -0.53 -0.01 0.00 -0.11 0.00 0.00 43.42 42.78 2dao n LEU 68 CO -0.01 -1.21 0.51 -0.09 -1.51 0.00 0.00 177.39 175.08 2dao h ARG 69 N 0.00 -0.17 -0.95 3.23 1.12 0.20 -2.48 114.38 115.33 2dao h ARG 69 Ca 0.61 0.01 0.24 0.00 -1.11 0.00 0.00 59.98 59.73 2dao h ARG 69 Cb 1.78 0.04 -0.18 0.00 -0.01 0.00 0.00 29.97 31.60 2dao h ARG 69 CO -0.45 -0.12 -0.05 0.72 -3.11 0.00 0.00 179.97 176.96 2dao n HIS 70 N -2.58 0.53 -0.33 2.20 8.25 0.57 0.19 115.22 124.05 2dao n HIS 70 Ca -0.02 1.15 0.08 0.00 -0.26 0.00 0.00 57.72 58.67 2dao n HIS 70 Cb 0.07 -1.17 0.28 0.00 1.12 0.00 0.00 29.99 30.30 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 1.04 -0.80 4.41 0.05 -1.35 -2.32 116.97 118.00 2dao h TYR 71 Ca 0.54 0.03 0.14 0.00 0.05 0.00 0.00 58.73 59.49 2dao h TYR 71 Cb 1.05 -0.33 -0.14 0.00 1.01 0.00 0.00 36.73 38.31 2dao h TYR 71 CO -0.55 0.42 -0.31 1.88 -1.05 0.00 0.00 178.16 178.54 2dao h TYR 72 N 0.91 -0.83 -0.27 4.88 0.05 0.26 0.95 116.97 122.92 2dao h TYR 72 Ca 0.47 0.08 0.02 0.00 0.05 0.00 0.00 58.73 59.35 2dao h TYR 72 Cb 0.52 0.48 -0.01 0.00 1.01 0.00 0.00 36.73 38.73 2dao h TYR 72 CO -0.00 -0.38 0.18 0.87 -1.05 0.00 0.00 178.16 177.78 2dao h LYS 73 N -0.06 0.29 0.00 4.88 6.56 -1.47 0.89 116.57 127.66 2dao h LYS 73 Ca 0.32 -0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.90 2dao h LYS 73 Cb 0.59 -0.06 0.00 0.00 -0.57 0.00 0.00 32.23 32.18 2dao h LYS 73 CO -0.84 0.19 0.00 1.28 -2.06 0.00 0.00 179.45 178.02 2dao n LEU 74 N -4.50 0.00 -3.39 2.94 4.77 0.32 -4.85 117.00 112.30 2dao n LEU 74 Ca 0.02 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 55.81 2dao n LEU 74 Cb 0.13 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.30 2dao n LEU 74 CO 0.35 0.00 0.16 -3.20 -1.33 0.00 0.00 177.39 173.36 2dao n ASN 75 N -0.77 -3.68 -0.06 -1.43 5.15 0.31 -4.93 115.26 109.85 2dao n ASN 75 Ca 0.10 -0.57 -0.11 0.00 -0.60 0.00 0.00 54.58 53.40 2dao n ASN 75 Cb 0.04 -4.92 -0.04 0.00 -0.53 0.00 0.00 39.78 34.33 2dao n ASN 75 CO 0.00 0.00 0.00 -0.38 1.40 0.00 0.00 177.26 178.28 2dao n ILE 76 N -4.36 0.63 -4.30 -1.44 5.41 -1.17 -4.47 119.36 109.67 2dao n ILE 76 Ca -0.17 -0.19 -0.20 0.00 1.00 0.00 0.00 62.75 63.19 2dao n ILE 76 Cb 0.62 -1.37 -0.13 0.00 -0.71 0.00 0.00 39.64 38.06 2dao n ILE 76 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 2dao s ILE 77 N -2.21 1.21 -0.24 1.39 1.01 -1.26 -2.88 121.20 118.21 2dao s ILE 77 Ca -0.16 -1.18 0.02 0.00 0.00 0.00 0.00 60.65 59.33 2dao s ILE 77 Cb 0.05 -1.12 0.06 0.00 0.01 0.00 0.00 42.46 41.46 2dao s ILE 77 CO 0.22 -0.07 -0.10 -0.60 0.00 0.00 0.00 174.94 174.39 2dao s ARG 78 N -1.44 2.11 -0.58 2.79 3.52 0.89 -4.14 118.95 122.10 2dao s ARG 78 Ca 0.01 -1.18 -0.28 0.00 -0.13 0.00 0.00 55.73 54.16 2dao s ARG 78 Cb -0.09 -2.75 0.01 0.00 -1.56 0.00 0.00 34.95 30.56 2dao s ARG 78 CO 0.02 -0.54 1.43 0.21 -0.81 0.00 0.00 175.30 175.61 2dao s LYS 79 N 1.21 3.25 0.27 5.12 2.20 -1.26 -0.67 119.74 129.86 2dao s LYS 79 Ca -0.07 0.41 -0.29 0.00 -0.36 0.00 0.00 55.97 55.66 2dao s LYS 79 Cb -0.19 -4.15 -0.14 0.00 -1.51 0.00 0.00 37.83 31.85 2dao s LYS 79 CO -0.06 -2.00 1.12 0.39 -0.36 0.00 0.00 175.35 174.43 2dao n GLU 80 N 8.75 1.51 -0.07 4.03 1.02 -1.03 -4.91 120.64 129.94 2dao n GLU 80 Ca 0.12 0.53 -0.13 0.00 -0.02 0.00 0.00 57.16 57.66 2dao n GLU 80 Cb 0.49 -1.98 -0.06 0.00 -0.02 0.00 0.00 31.44 29.87 2dao n GLU 80 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 2dao h PRO 81 N 2.52 0.48 -0.46 3.49 0.13 -1.93 -3.27 132.00 132.97 2dao h PRO 81 Ca -0.42 -0.25 0.07 0.00 -0.87 0.00 0.00 66.00 64.53 2dao h PRO 81 Cb 1.33 0.01 -0.06 0.00 0.13 0.00 0.00 31.00 32.40 2dao h PRO 81 CO 0.64 0.83 0.10 0.78 -0.23 0.00 0.00 178.00 180.12 2dao h GLY 82 N 0.15 0.56 -4.98 1.56 0.00 -1.99 -3.41 103.07 94.95 2dao h GLY 82 Ca 0.03 -0.04 -0.69 0.00 0.00 0.00 0.00 47.33 46.64 2dao h GLY 82 CO 0.05 -0.04 -0.81 -0.86 0.00 0.00 0.00 176.54 174.87 2dao s GLN 83 N -6.15 2.59 0.02 4.80 0.00 -1.23 -5.03 119.66 114.66 2dao s GLN 83 Ca -0.13 -0.78 -0.14 0.00 -0.00 0.00 0.00 55.36 54.31 2dao s GLN 83 Cb 0.14 -2.31 -0.34 0.00 0.00 0.00 0.00 33.01 30.50 2dao s GLN 83 CO 0.72 0.49 0.94 -0.09 0.00 0.00 0.00 175.29 177.36 2dao h ARG 84 N 5.75 0.50 -0.97 9.60 2.43 -1.80 -3.28 114.38 126.60 2dao h ARG 84 Ca -0.39 -0.86 -0.10 0.00 -0.81 0.00 0.00 59.98 57.82 2dao h ARG 84 Cb 1.16 0.32 -0.06 0.00 -0.42 0.00 0.00 29.97 30.97 2dao h ARG 84 CO 0.50 1.41 0.13 1.28 -1.51 0.00 0.00 179.97 181.77 2dao n LEU 85 N -3.68 3.53 -4.24 3.80 4.77 -1.26 -4.80 117.00 115.11 2dao n LEU 85 Ca -0.18 -1.81 -0.32 0.00 -0.03 0.00 0.00 56.01 53.66 2dao n LEU 85 Cb 1.10 -0.58 -0.16 0.00 -2.33 0.00 0.00 43.42 41.44 2dao n LEU 85 CO 0.59 0.57 -0.54 -0.22 -1.33 0.00 0.00 177.39 176.46 2dao s LEU 86 N -0.84 2.21 -0.00 2.23 1.98 -1.24 -3.49 118.68 119.53 2dao s LEU 86 Ca 0.15 -0.52 0.05 0.00 -2.89 0.00 0.00 54.13 50.92 2dao s LEU 86 Cb 0.12 -1.45 -0.01 0.00 0.66 0.00 0.00 46.19 45.51 2dao s LEU 86 CO 0.03 0.15 -0.15 -0.36 -1.89 0.00 0.00 176.35 174.13 2dao s PHE 87 N 0.38 1.38 -0.17 5.38 0.08 -1.16 -2.47 117.98 121.41 2dao s PHE 87 Ca -0.17 -0.28 -0.00 0.00 0.12 0.00 0.00 56.93 56.60 2dao s PHE 87 Cb -0.17 -0.87 0.00 0.00 -0.57 0.00 0.00 43.02 41.41 2dao s PHE 87 CO 0.08 -0.01 -0.15 0.50 -0.10 0.00 0.00 175.22 175.54 2dao s ARG 88 N -0.53 3.18 -1.30 0.44 3.52 0.15 -2.46 118.95 121.95 2dao s ARG 88 Ca 0.05 -0.76 -0.18 0.00 -0.13 0.00 0.00 55.73 54.72 2dao s ARG 88 Cb -0.06 -2.66 0.07 0.00 -1.56 0.00 0.00 34.95 30.74 2dao s ARG 88 CO -0.00 -0.07 1.75 1.19 -0.81 0.00 0.00 175.30 177.36 2dao n PHE 89 N 4.30 4.63 0.00 5.12 3.72 -1.14 -0.08 117.46 134.01 2dao n PHE 89 Ca -0.19 -2.87 0.00 0.00 -0.05 0.00 0.00 57.45 54.33 2dao n PHE 89 Cb 0.51 -2.61 0.00 0.00 -0.94 0.00 0.00 39.48 36.44 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 8.14 0.00 -3.54 -1.08 2.81 -1.14 -4.59 117.12 117.73 2dao n MET 90 Ca 0.48 0.72 -0.29 0.00 -1.81 0.00 0.00 57.70 56.81 2dao n MET 90 Cb 0.45 -1.38 -0.04 0.00 -0.71 0.00 0.00 33.22 31.55 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 -2.51 3.59 0.32 0.03 2.20 -1.25 -5.03 119.74 117.10 2dao s LYS 91 Ca 0.00 -0.13 -0.29 0.00 -0.36 0.00 0.00 55.97 55.19 2dao s LYS 91 Cb 0.00 -2.76 -0.11 0.00 -1.51 0.00 0.00 37.83 33.46 2dao s LYS 91 CO 0.00 0.34 1.44 0.99 -0.36 0.00 0.00 175.35 177.76 2dao s THR 92 N -1.91 2.38 0.04 3.43 2.01 -1.26 -4.94 115.64 115.38 2dao s THR 92 Ca 0.41 0.36 -0.20 0.00 0.31 0.00 0.00 61.69 62.57 2dao s THR 92 Cb -0.11 -3.23 -0.14 0.00 0.01 0.00 0.00 72.50 69.03 2dao s THR 92 CO 0.28 0.07 1.35 1.55 -0.69 0.00 0.00 174.62 177.19 2dao h PRO 93 N 3.91 0.37 -0.49 4.92 0.13 -1.95 -2.71 132.00 136.18 2dao h PRO 93 Ca -0.48 -0.19 0.07 0.00 -0.87 0.00 0.00 66.00 64.52 2dao h PRO 93 Cb 1.23 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.34 2dao h PRO 93 CO 0.70 0.74 0.33 0.22 -0.23 0.00 0.00 178.00 179.77 2dao h ASP 94 N 0.00 0.32 0.41 1.44 1.82 -2.02 -2.85 116.42 115.55 2dao h ASP 94 Ca 0.02 0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 56.65 2dao h ASP 94 Cb 0.67 -0.07 0.00 0.00 0.68 0.00 0.00 39.33 40.62 2dao h ASP 94 CO 0.04 0.21 -0.20 -0.08 -1.61 0.00 0.00 179.24 177.59 2dao h GLU 95 N 0.36 -0.54 -0.97 0.28 4.57 -1.94 -3.24 114.58 113.11 2dao h GLU 95 Ca 0.22 0.04 0.40 0.00 -1.18 0.00 0.00 59.36 58.83 2dao h GLU 95 Cb 0.39 0.12 -0.18 0.00 -0.16 0.00 0.00 28.75 28.93 2dao h GLU 95 CO -0.05 -0.30 0.48 -0.89 -1.18 0.00 0.00 179.01 177.07 2dao n ILE 96 N -5.15 -0.41 -0.22 2.32 5.41 -1.03 -0.22 119.36 120.06 2dao n ILE 96 Ca -0.08 1.99 0.22 0.00 1.00 0.00 0.00 62.75 65.88 2dao n ILE 96 Cb 0.25 -3.21 0.40 0.00 -0.71 0.00 0.00 39.64 36.37 2dao n ILE 96 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 176.55 176.78 2dao n MET 97 N -5.22 -0.04 -2.61 0.38 2.81 -1.10 -3.57 117.12 107.76 2dao n MET 97 Ca 0.36 0.95 -0.42 0.00 -1.81 0.00 0.00 57.70 56.78 2dao n MET 97 Cb 1.21 -1.70 -0.03 0.00 -0.71 0.00 0.00 33.22 31.99 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 -4.67 6.36 0.00 7.83 1.04 0.69 -4.95 113.70 120.00 2dao s SER 98 Ca -0.06 -0.11 0.00 0.00 0.48 0.00 0.00 55.95 56.26 2dao s SER 98 Cb 0.23 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.82 2dao s SER 98 CO 0.54 -1.53 0.00 0.61 0.98 0.00 0.00 173.24 173.83 2dao n GLY 99 N 5.15 5.59 1.42 7.32 0.00 -1.23 -5.08 105.19 118.34 2dao n GLY 99 Ca 0.06 -1.44 0.00 0.00 0.00 0.00 0.00 46.02 44.64 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 0.00 0.00 -2.06 1.61 3.00 -1.26 -5.10 116.66 112.85 2dao n ARG 100 Ca 0.00 0.00 -0.29 0.00 -0.01 0.00 0.00 57.85 57.55 2dao n ARG 100 Cb 0.00 -0.01 0.18 0.00 0.00 0.00 0.00 32.46 32.63 2dao n ARG 100 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.63 177.55 2dao s THR 101 N -1.04 2.01 -0.57 0.55 -1.32 -1.26 -4.83 115.64 109.18 2dao s THR 101 Ca 0.00 -0.12 -0.28 0.00 -1.21 0.00 0.00 61.69 60.09 2dao s THR 101 Cb 0.00 -2.90 -0.15 0.00 -1.51 0.00 0.00 72.50 67.94 2dao s THR 101 CO 0.00 0.00 1.82 0.47 -2.21 0.00 0.00 174.62 174.70 2dao n ASP 102 N -3.63 0.38 -4.57 8.08 9.92 -1.26 -4.65 116.55 120.81 2dao n ASP 102 Ca 0.16 0.31 -0.18 0.00 -0.53 0.00 0.00 54.79 54.55 2dao n ASP 102 Cb 0.60 -0.68 -0.09 0.00 -0.64 0.00 0.00 41.12 40.31 2dao n ASP 102 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 2dao s ARG 103 N 5.66 1.59 -0.99 -1.24 1.81 -1.26 -3.89 118.95 120.62 2dao s ARG 103 Ca 0.96 -0.35 -0.13 0.00 -1.72 0.00 0.00 55.73 54.49 2dao s ARG 103 Cb -1.02 -4.99 0.13 0.00 -0.45 0.00 0.00 34.95 28.61 2dao s ARG 103 CO 0.42 -4.88 0.32 1.47 -0.68 0.00 0.00 175.30 171.95 2dao n LEU 104 N 18.18 -0.44 -0.07 2.53 -0.00 -1.26 -4.74 117.00 131.20 2dao n LEU 104 Ca 0.43 -0.52 -0.15 0.00 -0.00 0.00 0.00 56.01 55.77 2dao n LEU 104 Cb 0.46 -1.11 -0.05 0.00 -0.00 0.00 0.00 43.42 42.72 2dao n LEU 104 CO 0.60 0.05 0.44 -0.33 -0.00 0.00 0.00 177.39 178.15 2dao h GLU 105 N -0.46 0.76 -0.40 1.47 5.08 -1.94 -3.00 114.58 116.09 2dao h GLU 105 Ca -0.32 -0.49 0.12 0.00 -1.00 0.00 0.00 59.36 57.67 2dao h GLU 105 Cb 1.00 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.30 2dao h GLU 105 CO 0.47 1.12 0.58 1.12 -1.00 0.00 0.00 179.01 181.31 2dao h HIS 106 N 0.50 0.00 -0.19 4.33 2.07 -1.88 0.47 115.15 120.45 2dao h HIS 106 Ca 0.01 0.00 -0.06 0.00 -2.85 0.00 0.00 60.37 57.46 2dao h HIS 106 Cb 1.10 0.00 -0.04 0.00 2.57 0.00 0.00 27.41 31.04 2dao h HIS 106 CO 0.08 0.00 0.08 1.28 -3.07 0.00 0.00 177.93 176.30 2dao n LEU 107 N -3.38 3.05 -0.06 6.12 7.99 -1.13 -3.27 117.00 126.32 2dao n LEU 107 Ca 0.08 -1.56 -0.04 0.00 -0.01 0.00 0.00 56.01 54.47 2dao n LEU 107 Cb 0.75 -0.56 -0.01 0.00 -0.11 0.00 0.00 43.42 43.48 2dao n LEU 107 CO 0.22 0.49 -0.34 1.21 -1.51 0.00 0.00 177.39 177.46 2dao n GLU 108 N 0.13 0.38 -0.11 3.23 2.13 0.16 -4.63 120.64 121.94 2dao n GLU 108 Ca 0.11 0.42 -0.17 0.00 0.66 0.00 0.00 57.16 58.17 2dao n GLU 108 Cb 0.64 -1.47 -0.13 0.00 0.27 0.00 0.00 31.44 30.74 2dao n GLU 108 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 2dao n SER 109 N -4.18 1.70 -0.33 4.31 2.88 -1.26 -4.50 113.62 112.24 2dao n SER 109 Ca -0.07 -0.06 -0.01 0.00 -1.33 0.00 0.00 58.87 57.39 2dao n SER 109 Cb 0.26 -0.26 0.03 0.00 -0.75 0.00 0.00 64.21 63.48 2dao n SER 109 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 2dao n GLN 110 N -3.21 -0.21 -0.53 -1.46 -0.06 -1.20 0.21 117.38 110.91 2dao n GLN 110 Ca -0.42 1.30 -0.04 0.00 -2.00 0.00 0.00 57.00 55.84 2dao n GLN 110 Cb 1.02 -1.92 0.01 0.00 -4.06 0.00 0.00 30.24 25.29 2dao n GLN 110 CO 0.00 0.00 0.00 0.39 -0.20 0.00 0.00 177.06 177.25 2dao n GLU 111 N -5.23 1.21 -3.70 3.69 4.71 -1.26 -4.75 120.64 115.31 2dao n GLU 111 Ca 0.08 -0.43 -0.12 0.00 -0.01 0.00 0.00 57.16 56.68 2dao n GLU 111 Cb 0.33 -1.17 -0.09 0.00 -1.01 0.00 0.00 31.44 29.50 2dao n GLU 111 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 2dao s LEU 112 N -0.50 -0.05 0.57 -4.62 1.43 0.56 -4.77 118.68 111.31 2dao s LEU 112 Ca 0.08 1.03 -0.20 0.00 -1.03 0.00 0.00 54.13 54.01 2dao s LEU 112 Cb 0.07 1.70 -0.05 0.00 0.03 0.00 0.00 46.19 47.94 2dao s LEU 112 CO 0.00 -0.18 1.17 -0.24 0.23 0.00 0.00 176.35 177.33 2dao n SER 113 N 3.27 1.76 0.00 2.29 2.88 -1.26 -4.87 113.62 117.69 2dao n SER 113 Ca -0.16 0.89 0.00 0.00 -1.33 0.00 0.00 58.87 58.27 2dao n SER 113 Cb 0.56 -1.49 0.00 0.00 -0.75 0.00 0.00 64.21 62.54 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 1.02 0.76 3.59 0.46 0.00 -1.26 -5.08 105.19 104.67 2dao n GLY 114 Ca 0.12 -2.15 -0.30 0.00 0.00 0.00 0.00 46.02 43.69 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 -0.94 -1.29 -0.11 1.61 0.04 -1.26 -5.04 135.00 128.01 2dao s PRO 115 Ca 0.00 -0.09 -0.08 0.00 0.04 0.00 0.00 61.00 60.87 2dao s PRO 115 Cb 0.00 -1.59 -0.03 0.00 0.04 0.00 0.00 34.50 32.92 2dao s PRO 115 CO 0.00 -3.75 -0.16 0.43 0.04 0.00 0.00 177.00 173.56 2dao n SER 116 N -4.78 1.36 0.19 6.66 7.64 -1.26 -4.63 113.62 118.79 2dao n SER 116 Ca 0.13 0.48 -0.15 0.00 1.01 0.00 0.00 58.87 60.35 2dao n SER 116 Cb 0.60 -0.76 -0.08 0.00 -1.01 0.00 0.00 64.21 62.96 2dao n SER 116 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2dao h SER 117 N -0.74 -1.22 0.00 6.43 0.02 -2.04 -3.49 113.55 112.51 2dao h SER 117 Ca 0.00 0.11 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 2dao h SER 117 Cb 0.44 0.42 0.00 0.00 0.14 0.00 0.00 62.40 63.40 2dao h SER 117 CO 0.00 -0.52 0.00 0.61 -1.14 0.00 0.00 176.83 175.78