#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 -1.86 -4.56 1.61 3.41 -1.26 -4.78 113.62 106.19 2dao n SER 2 Ca 0.00 -1.12 -0.33 0.00 -0.26 0.00 0.00 58.87 57.16 2dao n SER 2 Cb 0.00 -2.28 -0.04 0.00 -0.26 0.00 0.00 64.21 61.63 2dao n SER 2 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2dao s SER 3 N -3.58 5.47 0.46 4.04 0.01 -1.26 -4.96 113.70 113.88 2dao s SER 3 Ca 0.57 -0.52 0.01 0.00 1.31 0.00 0.00 55.95 57.32 2dao s SER 3 Cb -0.32 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.36 2dao s SER 3 CO 0.96 -2.38 0.67 -0.83 0.41 0.00 0.00 173.24 172.08 2dao s GLY 4 N 7.23 1.62 0.00 3.44 0.00 -1.26 -5.04 107.32 113.31 2dao s GLY 4 Ca 0.63 -1.14 0.00 0.00 0.00 0.00 0.00 44.72 44.21 2dao s GLY 4 CO 0.05 -0.95 0.00 1.44 0.00 0.00 0.00 173.10 173.63 2dao n SER 5 N -2.09 1.49 -4.27 1.64 7.64 -1.26 -4.94 113.62 111.83 2dao n SER 5 Ca 0.02 0.00 -0.44 0.00 1.01 0.00 0.00 58.87 59.47 2dao n SER 5 Cb 0.58 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.74 2dao n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dao s SER 6 N -4.43 6.40 -0.87 6.43 0.15 -1.26 -5.00 113.70 115.12 2dao s SER 6 Ca 0.00 -2.83 -0.12 0.00 0.70 0.00 0.00 55.95 53.69 2dao s SER 6 Cb 0.00 -2.11 0.23 0.00 -1.71 0.00 0.00 66.02 62.42 2dao s SER 6 CO 0.00 -0.49 0.82 -0.83 1.20 0.00 0.00 173.24 173.94 2dao s GLY 7 N 1.65 2.77 -0.17 9.45 0.00 -1.26 -4.84 107.32 114.93 2dao s GLY 7 Ca 0.19 -3.43 -0.13 0.00 0.00 0.00 0.00 44.72 41.34 2dao s GLY 7 CO -0.08 1.26 -0.22 0.00 0.00 0.00 0.00 173.10 174.07 2dao n ARG 9 N -4.53 -1.86 -1.81 0.00 1.74 -1.26 -4.81 116.66 104.13 2dao n ARG 9 Ca -0.14 0.58 -0.30 0.00 -0.77 0.00 0.00 57.85 57.22 2dao n ARG 9 Cb 0.42 -5.01 0.22 0.00 -1.02 0.00 0.00 32.46 27.07 2dao n ARG 9 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2dao s LEU 10 N -4.67 2.42 -0.04 0.55 1.43 -1.26 -4.96 118.68 112.15 2dao s LEU 10 Ca 0.00 0.20 -0.06 0.00 -1.03 0.00 0.00 54.13 53.24 2dao s LEU 10 Cb 0.00 -2.09 -0.02 0.00 0.03 0.00 0.00 46.19 44.11 2dao s LEU 10 CO 0.00 -3.14 -0.12 -0.11 0.23 0.00 0.00 176.35 173.21 2dao n LEU 11 N -4.03 0.86 -0.22 1.79 7.94 -1.26 -4.06 117.00 118.02 2dao n LEU 11 Ca 0.17 0.14 0.20 0.00 -1.11 0.00 0.00 56.01 55.40 2dao n LEU 11 Cb 0.59 -0.47 0.36 0.00 0.53 0.00 0.00 43.42 44.44 2dao n LEU 11 CO 0.43 -0.47 0.68 -2.67 -1.11 0.00 0.00 177.39 174.25 2dao n TRP 12 N -3.34 0.73 -0.03 1.96 4.27 -1.26 0.23 117.44 119.99 2dao n TRP 12 Ca -0.05 0.80 -0.15 0.00 -3.89 0.00 0.00 57.50 54.21 2dao n TRP 12 Cb 0.17 -1.19 -0.10 0.00 -1.36 0.00 0.00 31.31 28.84 2dao n TRP 12 CO 0.00 0.00 0.00 0.38 -2.29 0.00 0.00 177.69 175.78 2dao h ASP 13 N 0.00 0.36 -0.98 -0.67 2.03 -2.01 -3.17 116.42 111.99 2dao h ASP 13 Ca 0.54 -0.67 0.28 0.00 -0.73 0.00 0.00 57.03 56.46 2dao h ASP 13 Cb 1.40 -0.11 -0.04 0.00 -0.83 0.00 0.00 39.33 39.75 2dao h ASP 13 CO -0.54 0.97 1.19 0.22 -1.03 0.00 0.00 179.24 180.05 2dao h TYR 14 N -0.22 0.00 0.24 4.15 3.20 0.27 -0.31 116.97 124.31 2dao h TYR 14 Ca -0.02 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.84 2dao h TYR 14 Cb 0.97 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.23 2dao h TYR 14 CO 0.14 0.00 -0.23 0.28 -1.64 0.00 0.00 178.16 176.71 2dao h VAL 15 N 0.00 0.00 -0.61 1.81 2.07 -1.48 -2.99 116.25 115.04 2dao h VAL 15 Ca 0.46 0.00 0.12 0.00 0.82 0.00 0.00 66.70 68.10 2dao h VAL 15 Cb 2.84 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 32.49 2dao h VAL 15 CO -0.00 0.00 -0.25 1.88 0.02 0.00 0.00 177.57 179.22 2dao h TYR 16 N -0.47 -0.62 -1.43 1.57 0.05 -1.27 0.38 116.97 115.19 2dao h TYR 16 Ca -0.03 0.06 0.41 0.00 0.05 0.00 0.00 58.73 59.23 2dao h TYR 16 Cb 0.40 0.37 -0.06 0.00 1.01 0.00 0.00 36.73 38.45 2dao h TYR 16 CO -0.13 -0.33 1.29 1.04 -1.05 0.00 0.00 178.16 178.97 2dao n GLN 17 N -5.44 0.01 -0.07 4.88 1.13 -1.14 -0.61 117.38 116.15 2dao n GLN 17 Ca 0.06 1.02 -0.04 0.00 -1.94 0.00 0.00 57.00 56.10 2dao n GLN 17 Cb 0.35 -2.47 -0.02 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 0.00 -0.89 1.08 3.38 -0.21 -3.39 115.31 115.28 2dao h LEU 18 Ca 0.68 -0.02 0.16 0.00 0.09 0.00 0.00 57.88 58.79 2dao h LEU 18 Cb 3.24 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 43.83 2dao h LEU 18 CO -0.01 0.72 -0.26 0.18 0.09 0.00 0.00 178.44 179.16 2dao n LEU 19 N -4.65 -0.40 -0.38 1.67 7.99 0.22 -0.51 117.00 120.94 2dao n LEU 19 Ca -0.06 1.53 -0.10 0.00 -0.01 0.00 0.00 56.01 57.37 2dao n LEU 19 Cb 0.22 -0.43 -0.09 0.00 -0.11 0.00 0.00 43.42 43.01 2dao n LEU 19 CO 0.09 -1.44 0.44 -0.24 -1.51 0.00 0.00 177.39 174.72 2dao n SER 20 N -5.40 -0.96 -4.75 -1.43 2.88 -0.74 -4.40 113.62 98.82 2dao n SER 20 Ca 0.13 1.61 -0.38 0.00 -1.33 0.00 0.00 58.87 58.90 2dao n SER 20 Cb 0.42 -0.21 0.04 0.00 -0.75 0.00 0.00 64.21 63.71 2dao n SER 20 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 2dao s ASP 21 N -5.44 5.22 0.03 -3.46 1.11 0.33 -4.94 116.67 109.52 2dao s ASP 21 Ca -0.11 2.72 0.21 0.00 0.18 0.00 0.00 52.55 55.55 2dao s ASP 21 Cb 0.10 -2.63 -0.20 0.00 1.07 0.00 0.00 42.92 41.25 2dao s ASP 21 CO 0.56 -1.60 0.64 -1.54 1.18 0.00 0.00 175.17 174.41 2dao n SER 22 N -1.13 0.37 0.00 0.27 3.41 -1.26 -4.00 113.62 111.28 2dao n SER 22 Ca 0.11 0.15 0.11 0.00 -0.26 0.00 0.00 58.87 58.98 2dao n SER 22 Cb 0.46 1.18 0.63 0.00 -0.26 0.00 0.00 64.21 66.21 2dao n SER 22 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2dao n ARG 23 N -2.53 0.50 0.00 4.33 1.74 -1.26 -2.34 116.66 117.10 2dao n ARG 23 Ca -0.07 0.04 0.05 0.00 -0.77 0.00 0.00 57.85 57.11 2dao n ARG 23 Cb 0.67 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.58 2dao n ARG 23 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 2dao n TYR 24 N -1.17 0.00 -0.34 -1.55 4.02 -1.26 -4.67 117.16 112.19 2dao n TYR 24 Ca 0.14 0.00 0.02 0.00 -0.01 0.00 0.00 57.90 58.04 2dao n TYR 24 Cb 0.14 0.00 0.08 0.00 -0.02 0.00 0.00 39.34 39.54 2dao n TYR 24 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 176.86 173.94 2dao n GLU 25 N -0.63 -0.16 -0.04 -0.72 2.13 -0.99 -0.40 120.64 119.83 2dao n GLU 25 Ca 0.04 1.43 -0.14 0.00 0.66 0.00 0.00 57.16 59.14 2dao n GLU 25 Cb 0.21 -2.12 -0.09 0.00 0.27 0.00 0.00 31.44 29.72 2dao n GLU 25 CO 0.00 0.00 0.00 -0.91 -0.41 0.00 0.00 177.13 175.81 2dao h ASN 26 N 0.00 -1.64 -0.64 4.31 2.35 -1.83 -1.32 115.58 116.81 2dao h ASN 26 Ca 0.37 0.21 0.09 0.00 -0.55 0.00 0.00 56.30 56.41 2dao h ASN 26 Cb 0.60 0.66 -0.07 0.00 0.05 0.00 0.00 38.32 39.56 2dao h ASN 26 CO -0.93 -0.45 0.29 -0.26 -1.65 0.00 0.00 177.43 174.43 2dao h PHE 27 N -0.51 0.52 -2.29 1.19 0.04 -1.06 -3.41 116.94 111.42 2dao h PHE 27 Ca 0.06 0.03 -0.04 0.00 2.80 0.00 0.00 57.97 60.82 2dao h PHE 27 Cb 0.65 -0.14 -0.23 0.00 2.20 0.00 0.00 35.95 38.43 2dao h PHE 27 CO -0.59 0.18 -0.12 -1.50 -0.60 0.00 0.00 178.31 175.68 2dao s ILE 28 N -6.08 -0.01 0.25 -0.55 2.07 -0.12 -1.38 121.20 115.38 2dao s ILE 28 Ca -0.13 0.04 0.01 0.00 -1.41 0.00 0.00 60.65 59.16 2dao s ILE 28 Cb 0.17 -0.83 -0.05 0.00 0.13 0.00 0.00 42.46 41.89 2dao s ILE 28 CO 0.75 0.02 0.11 0.00 -1.91 0.00 0.00 174.94 173.90 2dao s ARG 29 N 1.48 1.39 -0.21 3.50 1.70 -1.08 -3.73 118.95 121.99 2dao s ARG 29 Ca -0.09 -1.75 -0.27 0.00 -0.47 0.00 0.00 55.73 53.14 2dao s ARG 29 Cb -0.06 -0.16 -0.00 0.00 -0.57 0.00 0.00 34.95 34.15 2dao s ARG 29 CO -0.16 -0.32 0.95 -1.58 -1.08 0.00 0.00 175.30 173.11 2dao s TRP 30 N -3.82 3.37 -0.06 5.89 0.52 -1.26 -3.13 118.94 120.45 2dao s TRP 30 Ca 0.38 1.37 -0.14 0.00 0.02 0.00 0.00 56.10 57.72 2dao s TRP 30 Cb 0.08 -3.16 -0.10 0.00 -1.15 0.00 0.00 33.47 29.14 2dao s TRP 30 CO 0.14 -0.38 0.56 0.93 0.02 0.00 0.00 176.95 178.21 2dao h GLU 31 N 7.44 -0.26 -2.69 4.98 4.39 -0.20 -3.43 114.58 124.82 2dao h GLU 31 Ca -0.23 0.02 -0.60 0.00 0.34 0.00 0.00 59.36 58.89 2dao h GLU 31 Cb 1.09 0.06 -0.39 0.00 -0.10 0.00 0.00 28.75 29.41 2dao h GLU 31 CO 0.91 0.02 -0.83 -0.51 -1.16 0.00 0.00 179.01 177.44 2dao s ASP 32 N -5.35 2.91 0.43 1.42 1.11 -0.68 -4.97 116.67 111.53 2dao s ASP 32 Ca -0.08 -2.74 0.22 0.00 0.18 0.00 0.00 52.55 50.14 2dao s ASP 32 Cb 0.00 -0.72 1.20 0.00 1.07 0.00 0.00 42.92 44.47 2dao s ASP 32 CO 0.29 -0.23 1.77 0.11 1.18 0.00 0.00 175.17 178.28 2dao h LYS 33 N 6.37 0.29 -0.91 8.23 1.79 -1.83 0.15 116.57 130.66 2dao h LYS 33 Ca 0.11 -0.02 0.22 0.00 -2.18 0.00 0.00 60.65 58.78 2dao h LYS 33 Cb 0.92 -0.07 -0.12 0.00 -1.58 0.00 0.00 32.23 31.38 2dao h LYS 33 CO 0.40 0.19 0.42 1.05 -1.08 0.00 0.00 179.45 180.44 2dao h GLU 34 N 0.30 0.41 -0.15 3.15 4.11 -1.95 -0.07 114.58 120.38 2dao h GLU 34 Ca 0.60 -0.02 -0.07 0.00 0.07 0.00 0.00 59.36 59.94 2dao h GLU 34 Cb 1.71 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 30.82 2dao h GLU 34 CO -0.26 0.27 -0.23 0.43 0.07 0.00 0.00 179.01 179.29 2dao n SER 35 N -5.02 2.26 -4.23 3.06 7.64 0.41 -4.97 113.62 112.77 2dao n SER 35 Ca 0.23 -3.67 -0.30 0.00 1.01 0.00 0.00 58.87 56.14 2dao n SER 35 Cb 0.67 -0.56 -0.07 0.00 -1.01 0.00 0.00 64.21 63.24 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 -1.12 -1.66 -3.68 1.43 5.02 -0.04 -4.27 118.16 113.85 2dao n LYS 36 Ca 0.24 0.19 -0.35 0.00 -2.02 0.00 0.00 58.31 56.37 2dao n LYS 36 Cb 0.83 -3.96 -0.08 0.00 -0.02 0.00 0.00 35.03 31.80 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 -4.16 5.38 0.25 -0.18 1.01 -0.68 -2.22 121.20 120.59 2dao s ILE 37 Ca 0.08 0.27 0.10 0.00 0.00 0.00 0.00 60.65 61.10 2dao s ILE 37 Cb -0.04 -3.51 -0.05 0.00 0.01 0.00 0.00 42.46 38.87 2dao s ILE 37 CO 0.97 0.42 -0.18 0.72 0.00 0.00 0.00 174.94 176.86 2dao s PHE 38 N 0.46 2.08 -0.11 3.97 -0.71 0.59 0.56 117.98 124.83 2dao s PHE 38 Ca 0.10 -0.41 -0.04 0.00 -1.04 0.00 0.00 56.93 55.53 2dao s PHE 38 Cb -0.12 -0.93 0.06 0.00 -1.21 0.00 0.00 43.02 40.82 2dao s PHE 38 CO -0.00 0.58 0.21 0.50 -1.34 0.00 0.00 175.22 175.16 2dao s ARG 39 N -3.48 0.09 -0.61 1.99 3.52 -1.18 -0.88 118.95 118.40 2dao s ARG 39 Ca 0.26 0.65 -0.26 0.00 -0.13 0.00 0.00 55.73 56.26 2dao s ARG 39 Cb -0.04 -0.16 -0.08 0.00 -1.56 0.00 0.00 34.95 33.11 2dao s ARG 39 CO 0.12 -0.30 2.33 0.42 -0.81 0.00 0.00 175.30 177.07 2dao s ILE 40 N 2.34 3.06 0.22 4.11 1.01 -1.09 -3.96 121.20 126.90 2dao s ILE 40 Ca 0.02 0.00 -0.15 0.00 0.00 0.00 0.00 60.65 60.52 2dao s ILE 40 Cb -0.12 -3.16 0.24 0.00 0.01 0.00 0.00 42.46 39.43 2dao s ILE 40 CO -0.07 -0.15 1.60 0.58 0.00 0.00 0.00 174.94 176.90 2dao h VAL 41 N 7.59 0.23 -2.89 2.92 2.07 -1.45 -3.38 116.25 121.34 2dao h VAL 41 Ca -0.16 0.00 -0.34 0.00 0.82 0.00 0.00 66.70 67.02 2dao h VAL 41 Cb 1.17 0.23 -0.37 0.00 -1.52 0.00 0.00 31.29 30.80 2dao h VAL 41 CO 1.13 0.00 -0.66 -0.62 0.02 0.00 0.00 177.57 177.43 2dao s ASP 42 N -5.22 1.33 0.16 0.57 -1.08 -1.02 -5.03 116.67 106.39 2dao s ASP 42 Ca -0.14 -0.08 -0.09 0.00 -0.52 0.00 0.00 52.55 51.72 2dao s ASP 42 Cb 0.20 0.19 0.01 0.00 -1.46 0.00 0.00 42.92 41.85 2dao s ASP 42 CO 0.73 -0.30 1.50 1.55 0.52 0.00 0.00 175.17 179.17 2dao h PRO 43 N 8.36 0.86 -0.89 4.34 0.13 -1.88 0.07 132.00 142.98 2dao h PRO 43 Ca -0.15 -0.45 0.06 0.00 -0.87 0.00 0.00 66.00 64.59 2dao h PRO 43 Cb 1.14 0.02 -0.06 0.00 0.13 0.00 0.00 31.00 32.22 2dao h PRO 43 CO 0.22 1.10 0.56 -0.97 -0.23 0.00 0.00 178.00 178.68 2dao h ASN 44 N 0.70 0.89 0.79 1.44 -1.24 -1.97 0.17 115.58 116.36 2dao h ASN 44 Ca 0.06 0.01 -0.22 0.00 0.71 0.00 0.00 56.30 56.85 2dao h ASN 44 Cb 0.97 -0.18 -0.04 0.00 0.73 0.00 0.00 38.32 39.81 2dao h ASN 44 CO 0.09 0.58 -1.32 1.23 -1.29 0.00 0.00 177.43 176.72 2dao h GLY 45 N 1.03 0.00 0.16 1.57 0.00 -1.96 -3.33 103.07 100.54 2dao h GLY 45 Ca 0.38 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.71 2dao h GLY 45 CO -0.17 0.00 -0.08 -2.00 0.00 0.00 0.00 176.54 174.30 2dao h LEU 46 N 0.00 -0.18 -0.89 3.11 7.12 -0.53 -3.31 115.31 120.62 2dao h LEU 46 Ca -0.15 0.01 0.18 0.00 0.13 0.00 0.00 57.88 58.05 2dao h LEU 46 Cb 1.80 0.05 -0.17 0.00 -0.53 0.00 0.00 40.66 41.80 2dao h LEU 46 CO 0.09 0.03 -0.20 0.00 -0.13 0.00 0.00 178.44 178.22 2dao n ALA 47 N -2.36 0.23 -0.31 1.25 0.00 0.54 0.14 120.51 120.00 2dao n ALA 47 Ca -0.03 0.97 0.17 0.00 0.00 0.00 0.00 53.44 54.56 2dao n ALA 47 Cb 0.09 -0.59 0.36 0.00 0.00 0.00 0.00 19.45 19.31 2dao n ALA 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dao h ARG 48 N 0.00 0.26 -0.15 0.00 3.08 -1.68 1.00 114.38 116.90 2dao h ARG 48 Ca 0.43 -0.02 -0.09 0.00 0.07 0.00 0.00 59.98 60.38 2dao h ARG 48 Cb 0.68 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.66 2dao h ARG 48 CO -0.91 0.17 -0.29 -0.07 -1.07 0.00 0.00 179.97 177.81 2dao h LEU 49 N 0.27 0.29 -0.10 3.04 3.38 0.11 0.26 115.31 122.56 2dao h LEU 49 Ca 0.63 -0.10 -0.23 0.00 0.09 0.00 0.00 57.88 58.27 2dao h LEU 49 Cb 1.33 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 42.00 2dao h LEU 49 CO -0.63 0.58 -1.02 -0.25 0.09 0.00 0.00 178.44 177.21 2dao h TRP 50 N 0.25 0.39 0.00 1.13 2.91 0.11 -3.25 115.95 117.49 2dao h TRP 50 Ca 0.04 -0.25 -0.02 0.00 1.13 0.00 0.00 58.89 59.79 2dao h TRP 50 Cb 0.65 -0.03 -0.00 0.00 -0.51 0.00 0.00 29.16 29.27 2dao h TRP 50 CO 0.01 1.11 -0.10 0.78 -1.03 0.00 0.00 178.44 179.22 2dao h GLY 51 N 1.75 0.00 -0.16 2.65 0.00 -0.03 -3.18 103.07 104.10 2dao h GLY 51 Ca -0.08 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.27 2dao h GLY 51 CO 0.16 0.00 -0.22 -0.57 0.00 0.00 0.00 176.54 175.91 2dao h ASN 52 N -1.00 -0.73 0.00 0.19 -0.73 -0.31 0.65 115.58 113.65 2dao h ASN 52 Ca -0.03 0.09 0.00 0.00 1.87 0.00 0.00 56.30 58.24 2dao h ASN 52 Cb 1.00 0.30 0.00 0.00 0.27 0.00 0.00 38.32 39.89 2dao h ASN 52 CO -0.02 -0.16 0.08 0.00 -0.37 0.00 0.00 177.43 176.97 2dao n HIS 53 N -3.75 0.59 -0.44 0.67 1.44 -1.23 -0.03 115.22 112.48 2dao n HIS 53 Ca -0.01 0.31 0.07 0.00 -2.01 0.00 0.00 57.72 56.07 2dao n HIS 53 Cb 0.13 -0.93 0.32 0.00 0.12 0.00 0.00 29.99 29.63 2dao n HIS 53 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 2dao n LYS 54 N -2.13 3.86 -2.41 -1.40 4.76 0.20 -4.89 118.16 116.15 2dao n LYS 54 Ca -0.01 -2.53 -0.20 0.00 -2.87 0.00 0.00 58.31 52.69 2dao n LYS 54 Cb 0.11 -2.00 -0.01 0.00 -1.84 0.00 0.00 35.03 31.29 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 0.69 -5.83 -4.36 4.39 5.15 0.96 -4.98 115.26 111.27 2dao n ASN 55 Ca 0.23 -0.03 -0.24 0.00 -0.60 0.00 0.00 54.58 53.93 2dao n ASN 55 Cb 0.93 -4.84 -0.12 0.00 -0.53 0.00 0.00 39.78 35.23 2dao n ASN 55 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 2dao s ARG 56 N -5.04 1.34 0.00 1.20 1.81 0.31 -5.00 118.95 113.56 2dao s ARG 56 Ca 0.01 -1.40 0.00 0.00 -1.72 0.00 0.00 55.73 52.62 2dao s ARG 56 Cb -0.00 -1.56 0.00 0.00 -0.45 0.00 0.00 34.95 32.94 2dao s ARG 56 CO 0.01 0.34 0.00 2.41 -0.68 0.00 0.00 175.30 177.38 2dao n THR 57 N 0.47 0.00 -0.99 0.02 -1.04 -1.26 -2.81 114.28 108.67 2dao n THR 57 Ca -0.14 0.00 -0.22 0.00 -2.04 0.00 0.00 64.05 61.64 2dao n THR 57 Cb 0.56 -0.55 0.06 0.00 -1.82 0.00 0.00 70.33 68.58 2dao n THR 57 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 2dao n ASN 58 N -2.41 6.60 -4.61 8.00 0.23 -1.26 -4.92 115.26 116.89 2dao n ASN 58 Ca 0.00 -3.29 -0.43 0.00 -0.53 0.00 0.00 54.58 50.33 2dao n ASN 58 Cb 0.49 -1.00 -0.03 0.00 -2.08 0.00 0.00 39.78 37.15 2dao n ASN 58 CO 0.00 0.00 0.00 -0.32 -0.93 0.00 0.00 177.26 176.01 2dao s MET 59 N -2.49 3.83 0.41 -3.83 1.75 -1.26 -5.03 119.30 112.68 2dao s MET 59 Ca 0.42 0.63 0.08 0.00 -1.25 0.00 0.00 55.69 55.57 2dao s MET 59 Cb 0.33 -3.82 -0.02 0.00 2.84 0.00 0.00 34.83 34.16 2dao s MET 59 CO 0.00 -1.04 0.38 0.95 -0.65 0.00 0.00 175.02 174.65 2dao s THR 60 N 3.72 2.77 0.22 10.11 -4.23 -1.26 -4.37 115.64 122.59 2dao s THR 60 Ca 0.41 -1.33 -0.07 0.00 -1.18 0.00 0.00 61.69 59.53 2dao s THR 60 Cb -0.11 -3.02 0.16 0.00 1.34 0.00 0.00 72.50 70.87 2dao s THR 60 CO 0.21 -0.02 1.79 0.22 -0.54 0.00 0.00 174.62 176.28 2dao h TYR 61 N 1.03 1.17 -0.34 3.99 3.20 -1.96 -2.93 116.97 121.13 2dao h TYR 61 Ca -0.42 -0.09 0.07 0.00 3.14 0.00 0.00 58.73 61.43 2dao h TYR 61 Cb 1.27 -0.35 -0.07 0.00 1.54 0.00 0.00 36.73 39.12 2dao h TYR 61 CO 0.51 0.89 -0.12 1.49 -1.64 0.00 0.00 178.16 179.29 2dao h GLU 62 N 1.11 -0.05 0.00 1.82 4.57 -1.99 0.45 114.58 120.50 2dao h GLU 62 Ca 0.25 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.44 2dao h GLU 62 Cb 0.23 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.83 2dao h GLU 62 CO -0.02 -0.03 0.00 1.63 -1.18 0.00 0.00 179.01 179.41 2dao n LYS 63 N -5.31 0.02 -0.03 1.92 5.02 -1.12 -2.92 118.16 115.74 2dao n LYS 63 Ca 0.01 0.35 -0.02 0.00 -2.02 0.00 0.00 58.31 56.63 2dao n LYS 63 Cb 0.22 -1.55 -0.01 0.00 -0.02 0.00 0.00 35.03 33.68 2dao n LYS 63 CO 0.00 0.00 0.00 -0.12 -0.52 0.00 0.00 177.40 176.76 2dao n MET 64 N -1.59 0.19 -0.32 1.97 1.56 0.13 -4.40 117.12 114.66 2dao n MET 64 Ca 0.02 0.28 0.30 0.00 -0.27 0.00 0.00 57.70 58.03 2dao n MET 64 Cb 0.12 -1.06 0.56 0.00 2.15 0.00 0.00 33.22 34.99 2dao n MET 64 CO 0.00 0.00 0.00 0.45 -0.73 0.00 0.00 175.97 175.69 2dao n SER 65 N -3.24 0.31 -0.33 6.12 2.88 0.56 -0.48 113.62 119.45 2dao n SER 65 Ca -0.04 1.63 0.00 0.00 -1.33 0.00 0.00 58.87 59.13 2dao n SER 65 Cb 0.14 -0.78 0.05 0.00 -0.75 0.00 0.00 64.21 62.87 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 -5.23 -0.18 0.01 -1.46 5.12 -1.15 -1.41 116.66 112.36 2dao n ARG 66 Ca 0.36 1.32 -0.01 0.00 -1.93 0.00 0.00 57.85 57.60 2dao n ARG 66 Cb 1.23 -1.97 -0.01 0.00 -1.16 0.00 0.00 32.46 30.55 2dao n ARG 66 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2dao h ALA 67 N 1.27 -0.68 -1.11 7.54 0.00 -1.02 -1.73 119.26 123.52 2dao h ALA 67 Ca 0.32 -0.01 0.36 0.00 0.00 0.00 0.00 54.91 55.58 2dao h ALA 67 Cb 0.53 0.37 -0.08 0.00 0.00 0.00 0.00 17.79 18.61 2dao h ALA 67 CO -0.86 -0.69 0.75 1.28 0.00 0.00 0.00 179.25 179.74 2dao n LEU 68 N -2.54 0.09 0.41 0.00 7.99 -0.50 0.53 117.00 122.99 2dao n LEU 68 Ca -0.01 0.87 -0.16 0.00 -0.01 0.00 0.00 56.01 56.69 2dao n LEU 68 Cb 0.03 -0.43 -0.08 0.00 -0.11 0.00 0.00 43.42 42.83 2dao n LEU 68 CO 0.01 -0.92 0.53 -0.09 -1.51 0.00 0.00 177.39 175.42 2dao h ARG 69 N 0.00 -1.02 -1.03 3.23 2.43 -0.74 -1.60 114.38 115.66 2dao h ARG 69 Ca 0.63 0.07 0.38 0.00 -0.81 0.00 0.00 59.98 60.24 2dao h ARG 69 Cb 2.22 0.23 -0.16 0.00 -0.42 0.00 0.00 29.97 31.84 2dao h ARG 69 CO -0.21 -0.68 0.58 0.45 -1.51 0.00 0.00 179.97 178.60 2dao h HIS 70 N -1.06 0.85 -0.36 2.20 3.86 0.14 1.13 115.15 121.91 2dao h HIS 70 Ca -0.10 0.04 -0.13 0.00 -1.16 0.00 0.00 60.37 59.01 2dao h HIS 70 Cb 0.82 -0.21 -0.01 0.00 1.06 0.00 0.00 27.41 29.07 2dao h HIS 70 CO 0.02 -0.32 -0.31 1.88 0.86 0.00 0.00 177.93 180.06 2dao h TYR 71 N 0.15 0.91 -0.82 2.45 -1.99 -1.39 -3.08 116.97 113.21 2dao h TYR 71 Ca 0.80 -0.24 0.20 0.00 2.00 0.00 0.00 58.73 61.48 2dao h TYR 71 Cb 2.02 -0.20 -0.13 0.00 2.00 0.00 0.00 36.73 40.42 2dao h TYR 71 CO -0.01 0.99 0.20 1.88 -0.00 0.00 0.00 178.16 181.22 2dao h TYR 72 N 0.66 0.30 -0.10 4.88 0.05 0.23 0.38 116.97 123.37 2dao h TYR 72 Ca 0.07 0.05 -0.13 0.00 0.05 0.00 0.00 58.73 58.77 2dao h TYR 72 Cb 0.85 -0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.57 2dao h TYR 72 CO 0.04 -0.15 -0.52 -0.22 -1.05 0.00 0.00 178.16 176.26 2dao h LYS 73 N 0.24 0.29 0.00 4.88 3.64 -1.46 -2.59 116.57 121.57 2dao h LYS 73 Ca 0.49 -0.17 0.00 0.00 -1.27 0.00 0.00 60.65 59.69 2dao h LYS 73 Cb 0.91 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.75 2dao h LYS 73 CO -0.59 0.75 0.00 1.28 -2.27 0.00 0.00 179.45 178.61 2dao n LEU 74 N -3.94 0.00 -3.22 5.20 4.77 0.13 -4.85 117.00 115.09 2dao n LEU 74 Ca -0.02 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.78 2dao n LEU 74 Cb 0.57 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.73 2dao n LEU 74 CO 0.44 0.00 0.14 0.59 -1.33 0.00 0.00 177.39 177.23 2dao n ASN 75 N -0.88 -3.34 -0.05 -1.43 4.13 -0.80 -4.93 115.26 107.95 2dao n ASN 75 Ca 0.11 -0.53 -0.07 0.00 1.68 0.00 0.00 54.58 55.77 2dao n ASN 75 Cb 0.05 -4.64 -0.04 0.00 -1.54 0.00 0.00 39.78 33.61 2dao n ASN 75 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 2dao n ILE 76 N -4.14 0.52 -4.34 2.41 5.41 -1.05 -4.61 119.36 113.56 2dao n ILE 76 Ca -0.17 -0.18 -0.21 0.00 1.00 0.00 0.00 62.75 63.19 2dao n ILE 76 Cb 0.62 -1.04 -0.13 0.00 -0.71 0.00 0.00 39.64 38.38 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 -2.18 1.22 -0.21 1.39 1.01 -1.26 -3.27 121.20 117.90 2dao s ILE 77 Ca -0.12 -1.13 0.01 0.00 0.00 0.00 0.00 60.65 59.40 2dao s ILE 77 Cb 0.04 -1.12 0.04 0.00 0.01 0.00 0.00 42.46 41.43 2dao s ILE 77 CO 0.20 -0.03 -0.11 -0.60 0.00 0.00 0.00 174.94 174.39 2dao s ARG 78 N -1.34 2.18 -0.22 2.79 6.06 -0.03 -4.18 118.95 124.21 2dao s ARG 78 Ca 0.02 -0.95 -0.20 0.00 -2.50 0.00 0.00 55.73 52.10 2dao s ARG 78 Cb -0.09 -2.54 -0.03 0.00 0.06 0.00 0.00 34.95 32.36 2dao s ARG 78 CO 0.02 -0.44 0.58 0.21 -2.50 0.00 0.00 175.30 173.18 2dao s LYS 79 N 1.32 4.16 0.25 5.12 2.20 -1.26 -0.97 119.74 130.56 2dao s LYS 79 Ca -0.02 0.51 -0.30 0.00 -0.36 0.00 0.00 55.97 55.79 2dao s LYS 79 Cb -0.17 -3.60 -0.11 0.00 -1.51 0.00 0.00 37.83 32.45 2dao s LYS 79 CO -0.08 -0.27 1.54 -1.21 -0.36 0.00 0.00 175.35 174.97 2dao s GLU 80 N 2.02 4.19 0.00 4.03 0.41 -1.23 -4.87 118.70 123.26 2dao s GLU 80 Ca 0.26 2.45 0.16 0.00 -0.41 0.00 0.00 54.97 57.42 2dao s GLU 80 Cb -0.16 -3.08 0.92 0.00 -1.78 0.00 0.00 34.13 30.04 2dao s GLU 80 CO 0.10 -0.56 1.34 -0.35 -0.49 0.00 0.00 175.26 175.30 2dao n PRO 81 N 2.61 0.48 0.00 0.39 -0.04 -1.26 -4.31 135.00 132.87 2dao n PRO 81 Ca 0.09 0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 2dao n PRO 81 Cb 0.38 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.34 2dao n PRO 81 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2dao n GLY 82 N -0.03 0.17 2.41 0.55 0.00 -1.26 -5.06 105.19 101.97 2dao n GLY 82 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.00 0.00 -2.17 1.61 1.13 -1.26 -4.81 117.38 110.87 2dao n GLN 83 Ca 0.00 0.00 -0.39 0.00 -1.94 0.00 0.00 57.00 54.67 2dao n GLN 83 Cb 0.00 -1.03 -0.02 0.00 0.11 0.00 0.00 30.24 29.30 2dao n GLN 83 CO 0.00 0.00 0.00 0.50 -1.44 0.00 0.00 177.06 176.12 2dao s ARG 84 N 0.06 4.15 -1.23 -1.09 6.06 -1.26 -3.27 118.95 122.37 2dao s ARG 84 Ca 0.63 2.05 -0.05 0.00 -2.50 0.00 0.00 55.73 55.86 2dao s ARG 84 Cb -0.88 -2.85 0.05 0.00 0.06 0.00 0.00 34.95 31.33 2dao s ARG 84 CO 0.40 -0.30 0.11 1.28 -2.50 0.00 0.00 175.30 174.29 2dao n LEU 85 N 0.37 -0.70 -4.80 -0.88 4.32 -1.26 -4.81 117.00 109.24 2dao n LEU 85 Ca 0.02 -0.96 -0.36 0.00 -0.02 0.00 0.00 56.01 54.70 2dao n LEU 85 Cb 0.44 -1.20 -0.07 0.00 -1.62 0.00 0.00 43.42 40.97 2dao n LEU 85 CO 0.55 0.28 -0.17 -0.22 -1.22 0.00 0.00 177.39 176.62 2dao s LEU 86 N -6.16 4.30 -0.04 2.23 1.98 -1.20 -2.65 118.68 117.13 2dao s LEU 86 Ca 0.16 0.36 0.01 0.00 -2.89 0.00 0.00 54.13 51.77 2dao s LEU 86 Cb -0.09 -2.09 0.02 0.00 0.66 0.00 0.00 46.19 44.68 2dao s LEU 86 CO 0.76 0.28 -0.05 -0.36 -1.89 0.00 0.00 176.35 175.09 2dao s PHE 87 N -0.29 0.75 -0.24 5.38 0.08 -0.05 -3.47 117.98 120.14 2dao s PHE 87 Ca 0.12 -0.20 0.02 0.00 0.12 0.00 0.00 56.93 56.99 2dao s PHE 87 Cb -0.12 -0.63 0.05 0.00 -0.57 0.00 0.00 43.02 41.75 2dao s PHE 87 CO 0.01 -0.16 -0.13 0.50 -0.10 0.00 0.00 175.22 175.34 2dao s ARG 88 N 0.72 2.52 -1.11 0.44 3.00 -0.14 -0.30 118.95 124.08 2dao s ARG 88 Ca -0.10 -1.16 -0.22 0.00 -1.00 0.00 0.00 55.73 53.25 2dao s ARG 88 Cb -0.13 -2.81 -0.01 0.00 0.00 0.00 0.00 34.95 32.00 2dao s ARG 88 CO 0.00 -0.45 1.79 -0.06 0.00 0.00 0.00 175.30 176.58 2dao s PHE 89 N 1.18 2.24 0.00 5.12 0.08 -0.94 -0.85 117.98 124.80 2dao s PHE 89 Ca -0.04 -0.28 0.00 0.00 0.12 0.00 0.00 56.93 56.73 2dao s PHE 89 Cb -0.18 -4.34 0.00 0.00 -0.57 0.00 0.00 43.02 37.93 2dao s PHE 89 CO -0.07 -1.64 0.83 -1.33 -0.10 0.00 0.00 175.22 172.91 2dao n MET 90 N 8.58 0.00 -3.27 0.44 2.81 -1.20 -4.70 117.12 119.78 2dao n MET 90 Ca 0.42 0.53 -0.28 0.00 -1.81 0.00 0.00 57.70 56.56 2dao n MET 90 Cb 0.47 -1.33 -0.03 0.00 -0.71 0.00 0.00 33.22 31.62 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 -2.33 3.62 0.24 0.03 2.47 -1.24 -5.04 119.74 117.48 2dao s LYS 91 Ca 0.00 0.00 -0.30 0.00 -1.56 0.00 0.00 55.97 54.11 2dao s LYS 91 Cb 0.00 -2.62 -0.10 0.00 -1.46 0.00 0.00 37.83 33.65 2dao s LYS 91 CO 0.00 0.16 1.53 0.99 0.16 0.00 0.00 175.35 178.19 2dao s THR 92 N -2.17 2.46 0.03 3.43 2.01 -1.26 -4.93 115.64 115.22 2dao s THR 92 Ca 0.44 0.37 -0.21 0.00 0.31 0.00 0.00 61.69 62.60 2dao s THR 92 Cb -0.10 -3.24 -0.15 0.00 0.01 0.00 0.00 72.50 69.02 2dao s THR 92 CO 0.32 0.05 1.34 1.55 -0.69 0.00 0.00 174.62 177.18 2dao h PRO 93 N 5.51 0.33 -0.39 4.92 0.13 -1.94 -3.05 132.00 137.50 2dao h PRO 93 Ca -0.45 -0.17 0.11 0.00 -0.87 0.00 0.00 66.00 64.62 2dao h PRO 93 Cb 1.21 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.33 2dao h PRO 93 CO 0.82 0.72 0.35 0.22 -0.23 0.00 0.00 178.00 179.89 2dao h ASP 94 N -0.05 0.00 -0.09 1.44 3.58 -1.96 0.83 116.42 120.16 2dao h ASP 94 Ca 0.02 0.00 -0.14 0.00 0.42 0.00 0.00 57.03 57.33 2dao h ASP 94 Cb 0.66 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.70 2dao h ASP 94 CO 0.03 0.00 -0.43 -0.33 -2.88 0.00 0.00 179.24 175.64 2dao h GLU 95 N 0.00 0.63 -0.47 0.28 4.39 -1.93 -3.15 114.58 114.32 2dao h GLU 95 Ca 0.19 -0.33 0.03 0.00 0.34 0.00 0.00 59.36 59.58 2dao h GLU 95 Cb 0.89 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.52 2dao h GLU 95 CO -0.00 0.93 0.26 0.82 -1.16 0.00 0.00 179.01 179.87 2dao h ILE 96 N 0.51 1.02 -1.02 3.13 1.08 -0.86 -3.40 117.51 117.97 2dao h ILE 96 Ca 0.04 -0.18 -0.51 0.00 -0.39 0.00 0.00 64.86 63.82 2dao h ILE 96 Cb 0.95 0.44 -0.03 0.00 -3.07 0.00 0.00 36.82 35.12 2dao h ILE 96 CO 0.09 0.10 1.64 0.23 -0.69 0.00 0.00 178.15 179.51 2dao n MET 97 N -4.85 0.73 -0.01 2.37 2.81 -1.19 -4.70 117.12 112.28 2dao n MET 97 Ca 0.03 0.05 -0.05 0.00 -1.81 0.00 0.00 57.70 55.93 2dao n MET 97 Cb 0.09 -2.67 -0.02 0.00 -0.71 0.00 0.00 33.22 29.92 2dao n MET 97 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 2dao n SER 98 N 13.18 1.22 0.00 7.83 2.88 -1.26 -5.05 113.62 132.42 2dao n SER 98 Ca 0.47 0.18 0.00 0.00 -1.33 0.00 0.00 58.87 58.19 2dao n SER 98 Cb 0.33 -0.43 0.00 0.00 -0.75 0.00 0.00 64.21 63.36 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 2.73 0.71 3.67 0.46 0.00 -1.26 -5.12 105.19 106.38 2dao n GLY 99 Ca -0.08 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.69 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 0.58 2.40 0.32 1.61 3.52 -1.26 -5.01 118.95 121.10 2dao s ARG 100 Ca 0.00 -1.21 0.07 0.00 -0.13 0.00 0.00 55.73 54.46 2dao s ARG 100 Cb 0.00 -2.30 0.90 0.00 -1.56 0.00 0.00 34.95 31.98 2dao s ARG 100 CO 0.00 0.42 1.51 -2.37 -0.81 0.00 0.00 175.30 174.05 2dao n THR 101 N -0.45 -0.40 -3.84 4.11 5.66 -1.26 -2.77 114.28 115.32 2dao n THR 101 Ca -0.09 2.08 -0.33 0.00 -3.05 0.00 0.00 64.05 62.66 2dao n THR 101 Cb 0.57 -3.12 -0.12 0.00 -1.55 0.00 0.00 70.33 66.11 2dao n THR 101 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2dao s ASP 102 N -4.87 4.76 0.15 1.09 2.15 -1.26 -4.91 116.67 113.78 2dao s ASP 102 Ca -0.11 -2.99 0.01 0.00 0.43 0.00 0.00 52.55 49.89 2dao s ASP 102 Cb 0.30 -1.74 -0.04 0.00 -0.30 0.00 0.00 42.92 41.13 2dao s ASP 102 CO 0.75 -0.29 0.02 -0.60 -0.17 0.00 0.00 175.17 174.88 2dao s ARG 103 N -0.25 1.01 0.27 4.34 6.06 -1.12 -5.01 118.95 124.25 2dao s ARG 103 Ca 0.17 -1.48 0.17 0.00 -2.50 0.00 0.00 55.73 52.10 2dao s ARG 103 Cb -0.23 -0.07 0.96 0.00 0.06 0.00 0.00 34.95 35.68 2dao s ARG 103 CO -0.02 -0.17 1.09 -0.11 -2.50 0.00 0.00 175.30 173.59 2dao n LEU 104 N -0.16 0.21 -0.34 -0.88 -0.00 -1.26 0.50 117.00 115.07 2dao n LEU 104 Ca -0.07 1.09 0.07 0.00 -0.00 0.00 0.00 56.01 57.10 2dao n LEU 104 Cb 0.63 -0.53 0.16 0.00 -0.00 0.00 0.00 43.42 43.68 2dao n LEU 104 CO 0.32 -1.21 0.65 1.21 -0.00 0.00 0.00 177.39 178.36 2dao n GLU 105 N -4.40 -0.08 -0.24 1.96 2.13 -1.26 0.43 120.64 119.17 2dao n GLU 105 Ca 0.27 1.48 0.20 0.00 0.66 0.00 0.00 57.16 59.77 2dao n GLU 105 Cb 0.95 -2.23 0.38 0.00 0.27 0.00 0.00 31.44 30.81 2dao n GLU 105 CO 0.00 0.00 0.00 1.58 -0.41 0.00 0.00 177.13 178.30 2dao n HIS 106 N -5.53 0.76 -0.28 4.31 -0.00 0.18 0.24 115.22 114.90 2dao n HIS 106 Ca 0.16 0.88 -0.04 0.00 0.46 0.00 0.00 57.72 59.18 2dao n HIS 106 Cb 0.52 -1.24 0.01 0.00 -0.12 0.00 0.00 29.99 29.16 2dao n HIS 106 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 2dao n LEU 107 N -4.76 5.12 0.11 0.27 7.99 0.17 -4.33 117.00 121.58 2dao n LEU 107 Ca 0.25 -2.44 -0.09 0.00 -0.01 0.00 0.00 56.01 53.73 2dao n LEU 107 Cb 0.86 -0.97 -0.05 0.00 -0.11 0.00 0.00 43.42 43.14 2dao n LEU 107 CO -0.01 0.95 0.28 -0.08 -1.51 0.00 0.00 177.39 177.01 2dao h GLU 108 N 0.88 -0.35 -0.95 3.23 4.81 0.29 -3.39 114.58 119.10 2dao h GLU 108 Ca 0.08 0.02 -0.47 0.00 -0.13 0.00 0.00 59.36 58.87 2dao h GLU 108 Cb 1.04 0.08 -0.42 0.00 0.63 0.00 0.00 28.75 30.09 2dao h GLU 108 CO 0.20 -0.08 -0.92 -1.13 -0.73 0.00 0.00 179.01 176.35 2dao n SER 109 N -5.02 3.63 -0.03 1.04 3.41 -1.26 -4.75 113.62 110.64 2dao n SER 109 Ca -0.07 -3.23 -0.01 0.00 -0.26 0.00 0.00 58.87 55.30 2dao n SER 109 Cb 0.22 -0.43 -0.00 0.00 -0.26 0.00 0.00 64.21 63.73 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 2.51 0.00 -0.50 4.33 -0.00 -1.80 -3.40 115.11 116.26 2dao h GLN 110 Ca 0.17 0.00 0.02 0.00 -0.00 0.00 0.00 58.65 58.85 2dao h GLN 110 Cb 1.25 0.00 -0.03 0.00 0.00 0.00 0.00 27.48 28.70 2dao h GLN 110 CO 0.63 0.00 0.30 0.93 0.00 0.00 0.00 178.83 180.69 2dao h GLU 111 N -0.47 0.58 -7.25 1.69 4.39 -1.89 -3.43 114.58 108.19 2dao h GLU 111 Ca 0.00 -0.03 -0.42 0.00 0.34 0.00 0.00 59.36 59.25 2dao h GLU 111 Cb 0.13 -0.13 0.19 0.00 -0.10 0.00 0.00 28.75 28.84 2dao h GLU 111 CO 0.00 0.38 0.06 -0.51 -1.16 0.00 0.00 179.01 177.79 2dao s LEU 112 N -10.21 0.49 -0.29 1.33 1.43 -1.26 -5.01 118.68 105.17 2dao s LEU 112 Ca -0.13 0.99 -0.08 0.00 -1.03 0.00 0.00 54.13 53.88 2dao s LEU 112 Cb 0.13 -2.78 -0.01 0.00 0.03 0.00 0.00 46.19 43.56 2dao s LEU 112 CO 0.74 -4.22 0.10 -0.44 0.23 0.00 0.00 176.35 172.76 2dao s SER 113 N -3.33 5.26 0.00 2.29 0.01 -1.26 -4.86 113.70 111.82 2dao s SER 113 Ca 0.69 -0.51 0.00 0.00 1.31 0.00 0.00 55.95 57.44 2dao s SER 113 Cb -0.16 -1.93 0.00 0.00 0.21 0.00 0.00 66.02 64.14 2dao s SER 113 CO 0.59 -0.15 0.00 0.61 0.41 0.00 0.00 173.24 174.70 2dao n GLY 114 N 4.92 1.41 3.77 3.44 0.00 -1.26 -5.12 105.19 112.34 2dao n GLY 114 Ca -0.15 -0.65 -0.32 0.00 0.00 0.00 0.00 46.02 44.90 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 -0.00 2.51 -0.27 1.61 0.04 -1.26 -4.89 135.00 132.74 2dao s PRO 115 Ca 0.00 1.27 -0.11 0.00 0.04 0.00 0.00 61.00 62.20 2dao s PRO 115 Cb 0.00 -1.92 -0.14 0.00 0.04 0.00 0.00 34.50 32.48 2dao s PRO 115 CO 0.00 -1.46 -0.27 0.45 0.04 0.00 0.00 177.00 175.76 2dao n SER 116 N -3.01 1.96 -4.58 6.66 2.88 -1.26 -4.86 113.62 111.42 2dao n SER 116 Ca 0.10 0.24 -0.41 0.00 -1.33 0.00 0.00 58.87 57.46 2dao n SER 116 Cb 0.53 -0.74 -0.03 0.00 -0.75 0.00 0.00 64.21 63.22 2dao n SER 116 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2dao s SER 117 N -7.23 5.63 0.00 -3.46 0.15 -1.26 -5.22 113.70 102.31 2dao s SER 117 Ca -0.37 0.81 0.00 0.00 0.70 0.00 0.00 55.95 57.09 2dao s SER 117 Cb 0.13 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.91 2dao s SER 117 CO 0.53 -2.00 0.00 0.61 1.20 0.00 0.00 173.24 173.57