#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aob s PRO 57 N 0.00 2.62 -0.41 1.97 0.02 -1.26 -5.00 135.00 132.95 2aob s PRO 57 Ca 0.00 2.01 0.11 0.00 0.02 0.00 0.00 61.00 63.14 2aob s PRO 57 Cb 0.00 -1.86 0.34 0.00 0.02 0.00 0.00 34.50 33.00 2aob s PRO 57 CO 0.00 -1.53 0.76 -2.39 -0.33 0.00 0.00 177.00 173.51 2aob n HIS 58 N -1.86 0.81 0.40 6.54 1.44 -1.26 -4.89 115.22 116.40 2aob n HIS 58 Ca 0.15 -3.84 0.13 0.00 -2.01 0.00 0.00 57.72 52.15 2aob n HIS 58 Cb 0.48 -0.43 0.51 0.00 0.12 0.00 0.00 29.99 30.68 2aob n HIS 58 CO 0.00 0.00 0.00 -1.00 -2.81 0.00 0.00 176.34 172.53 2aob h PRO 59 N 3.04 0.00 0.00 -1.40 0.13 -2.03 -1.73 132.00 130.01 2aob h PRO 59 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 2aob h PRO 59 Cb 0.89 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.02 2aob h PRO 59 CO 0.55 0.00 0.00 -2.67 -0.23 0.00 0.00 178.00 175.65 2aob n TRP 60 N -2.37 0.00 -3.70 1.56 4.27 -1.26 -4.83 117.44 111.10 2aob n TRP 60 Ca 0.02 0.00 -0.36 0.00 -3.89 0.00 0.00 57.50 53.27 2aob n TRP 60 Cb 0.26 -0.23 -0.09 0.00 -1.36 0.00 0.00 31.31 29.89 2aob n TRP 60 CO 0.00 0.00 0.00 0.12 -2.29 0.00 0.00 177.69 175.52 2aob s PHE 61 N -2.46 3.36 -0.14 -2.67 5.36 -0.65 -1.21 117.98 119.58 2aob s PHE 61 Ca 0.29 0.27 0.16 0.00 -0.96 0.00 0.00 56.93 56.69 2aob s PHE 61 Cb 0.19 -2.21 0.31 0.00 -0.34 0.00 0.00 43.02 40.96 2aob s PHE 61 CO 0.40 0.18 1.16 1.19 -1.46 0.00 0.00 175.22 176.68 2aob n PHE 62 N 3.90 0.00 0.00 10.12 3.72 0.89 -4.96 117.46 131.13 2aob n PHE 62 Ca -0.16 -1.05 0.00 0.00 -0.05 0.00 0.00 57.45 56.19 2aob n PHE 62 Cb 0.52 -0.17 0.00 0.00 -0.94 0.00 0.00 39.48 38.89 2aob n PHE 62 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2aob n GLY 63 N -1.17 3.86 1.51 1.37 0.00 -1.25 -1.83 105.19 107.68 2aob n GLY 63 Ca 0.15 0.07 0.07 0.00 0.00 0.00 0.00 46.02 46.31 2aob n GLY 63 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2aob n LYS 64 N 14.00 3.76 -1.65 1.61 5.02 -1.26 -0.69 118.16 138.95 2aob n LYS 64 Ca 0.00 -2.45 -0.59 0.00 -2.02 0.00 0.00 58.31 53.25 2aob n LYS 64 Cb 0.00 -1.97 -0.08 0.00 -0.02 0.00 0.00 35.03 32.96 2aob n LYS 64 CO 0.00 0.00 0.00 1.51 -0.52 0.00 0.00 177.40 178.39 2aob n ILE 65 N 0.67 0.10 -1.31 -0.18 3.06 -0.76 -4.91 119.36 116.03 2aob n ILE 65 Ca 0.22 -0.02 -0.32 0.00 -2.50 0.00 0.00 62.75 60.13 2aob n ILE 65 Cb 0.90 -0.71 0.10 0.00 0.54 0.00 0.00 39.64 40.46 2aob n ILE 65 CO 0.00 0.00 0.00 -2.84 -2.50 0.00 0.00 176.55 171.21 2aob s PRO 66 N 1.93 2.11 0.17 9.51 0.02 -1.26 -4.81 135.00 142.68 2aob s PRO 66 Ca 0.95 1.44 -0.17 0.00 0.02 0.00 0.00 61.00 63.23 2aob s PRO 66 Cb -1.18 -1.86 0.11 0.00 0.02 0.00 0.00 34.50 31.59 2aob s PRO 66 CO 0.63 -1.79 1.65 -0.09 -0.33 0.00 0.00 177.00 177.07 2aob h ARG 67 N -0.81 -0.05 -0.68 5.54 2.43 -1.93 -0.71 114.38 118.17 2aob h ARG 67 Ca -0.45 0.00 0.12 0.00 -0.81 0.00 0.00 59.98 58.84 2aob h ARG 67 Cb 1.26 0.01 -0.09 0.00 -0.42 0.00 0.00 29.97 30.73 2aob h ARG 67 CO 0.50 -0.03 0.25 0.00 -1.51 0.00 0.00 179.97 179.17 2aob h ALA 68 N 1.32 0.91 -0.16 2.80 0.00 -2.00 -0.48 119.26 121.66 2aob h ALA 68 Ca 0.20 0.11 -0.16 0.00 0.00 0.00 0.00 54.91 55.05 2aob h ALA 68 Cb 0.35 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 2aob h ALA 68 CO -0.45 -0.22 -0.59 0.87 0.00 0.00 0.00 179.25 178.87 2aob h LYS 69 N 0.40 0.50 -0.47 0.00 1.79 -1.76 -1.90 116.57 115.14 2aob h LYS 69 Ca 0.36 -0.34 0.00 0.00 -2.18 0.00 0.00 60.65 58.50 2aob h LYS 69 Cb 0.52 0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 31.19 2aob h LYS 69 CO -0.37 0.95 0.31 0.00 -1.08 0.00 0.00 179.45 179.25 2aob h ALA 70 N 0.98 0.59 -0.52 3.86 0.00 -0.68 -0.59 119.26 122.90 2aob h ALA 70 Ca -0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2aob h ALA 70 Cb 1.13 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 2aob h ALA 70 CO 0.11 0.05 0.27 0.93 0.00 0.00 0.00 179.25 180.60 2aob h GLU 71 N 0.63 0.72 -0.13 0.00 5.08 -0.90 -0.91 114.58 119.07 2aob h GLU 71 Ca 0.17 -0.07 -0.21 0.00 -1.00 0.00 0.00 59.36 58.24 2aob h GLU 71 Cb -0.07 -0.15 0.01 0.00 0.50 0.00 0.00 28.75 29.05 2aob h GLU 71 CO -0.04 0.54 -0.77 0.93 -1.00 0.00 0.00 179.01 178.67 2aob h GLU 72 N 0.72 0.68 0.15 2.33 5.08 -0.94 -0.92 114.58 121.68 2aob h GLU 72 Ca 0.18 -0.56 -0.01 0.00 -1.00 0.00 0.00 59.36 57.97 2aob h GLU 72 Cb 0.04 0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.41 2aob h GLU 72 CO -0.03 1.18 -0.07 1.98 -1.00 0.00 0.00 179.01 181.07 2aob h MET 73 N 0.46 -0.19 -0.30 2.33 1.85 -0.91 -3.27 114.93 114.91 2aob h MET 73 Ca -0.05 0.01 -0.03 0.00 -0.61 0.00 0.00 59.70 59.03 2aob h MET 73 Cb 1.39 0.04 -0.02 0.00 0.43 0.00 0.00 31.60 33.45 2aob h MET 73 CO 0.15 0.14 0.06 -0.07 -0.40 0.00 0.00 176.91 176.79 2aob h LEU 74 N -0.54 0.39 -1.14 3.39 3.38 -1.19 -2.74 115.31 116.86 2aob h LEU 74 Ca -0.02 -0.05 0.13 0.00 0.09 0.00 0.00 57.88 58.03 2aob h LEU 74 Cb 0.42 -0.10 -0.08 0.00 0.09 0.00 0.00 40.66 40.99 2aob h LEU 74 CO 0.03 0.40 0.60 0.28 0.09 0.00 0.00 178.44 179.85 2aob h SER 75 N 0.42 0.81 0.19 -0.43 0.02 -1.21 -2.20 113.55 111.15 2aob h SER 75 Ca 0.10 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 2aob h SER 75 Cb 0.18 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.60 2aob h SER 75 CO -0.00 0.42 -0.05 0.29 -1.14 0.00 0.00 176.83 176.35 2aob n LYS 76 N -4.59 0.97 -2.37 3.45 4.01 -1.03 -4.90 118.16 113.69 2aob n LYS 76 Ca 0.18 -0.31 -0.37 0.00 -0.51 0.00 0.00 58.31 57.30 2aob n LYS 76 Cb 0.40 -1.49 -0.02 0.00 -0.51 0.00 0.00 35.03 33.40 2aob n LYS 76 CO 0.00 0.00 0.00 -0.65 -1.11 0.00 0.00 177.40 175.64 2aob s GLN 77 N -2.25 3.96 0.30 1.97 -1.52 -0.83 -4.98 119.66 116.31 2aob s GLN 77 Ca 0.36 1.68 0.16 0.00 -1.95 0.00 0.00 55.36 55.62 2aob s GLN 77 Cb 0.21 -2.50 0.15 0.00 -0.22 0.00 0.00 33.01 30.65 2aob s GLN 77 CO 0.42 -0.36 1.49 0.07 -0.25 0.00 0.00 175.29 176.65 2aob h ARG 78 N 2.31 0.00 -6.17 2.91 0.11 -1.90 -3.46 114.38 108.18 2aob h ARG 78 Ca -0.49 0.00 -0.68 0.00 0.10 0.00 0.00 59.98 58.91 2aob h ARG 78 Cb 1.23 0.00 -0.31 0.00 1.11 0.00 0.00 29.97 32.00 2aob h ARG 78 CO 0.61 0.44 -0.88 -1.01 0.10 0.00 0.00 179.97 179.23 2aob s HIS 79 N -3.04 2.35 0.43 4.08 3.76 -1.26 -5.12 115.29 116.49 2aob s HIS 79 Ca 0.04 -0.61 -0.26 0.00 -0.15 0.00 0.00 55.06 54.08 2aob s HIS 79 Cb 0.08 -1.53 -0.09 0.00 1.11 0.00 0.00 32.58 32.14 2aob s HIS 79 CO 0.73 -0.15 1.43 -0.25 -0.85 0.00 0.00 174.74 175.65 2aob n ASP 80 N 2.78 3.35 0.00 1.40 9.92 -1.26 -2.12 116.55 130.62 2aob n ASP 80 Ca -0.17 1.15 0.00 0.00 -0.53 0.00 0.00 54.79 55.24 2aob n ASP 80 Cb 0.52 -1.59 0.00 0.00 -0.64 0.00 0.00 41.12 39.40 2aob n ASP 80 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2aob n GLY 81 N 0.58 1.30 3.75 0.44 0.00 0.85 -5.01 105.19 107.10 2aob n GLY 81 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 2aob n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aob n ALA 82 N -0.89 2.42 -3.29 4.61 0.00 -0.90 -4.76 120.51 117.70 2aob n ALA 82 Ca 0.00 0.36 -0.09 0.00 0.00 0.00 0.00 53.44 53.71 2aob n ALA 82 Cb 0.00 -2.44 -0.04 0.00 0.00 0.00 0.00 19.45 16.97 2aob n ALA 82 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 2aob s PHE 83 N -0.43 0.10 0.12 0.00 -0.12 -1.26 -0.49 117.98 115.90 2aob s PHE 83 Ca 0.60 -0.47 -0.13 0.00 -0.05 0.00 0.00 56.93 56.89 2aob s PHE 83 Cb -0.49 0.32 0.02 0.00 -0.63 0.00 0.00 43.02 42.24 2aob s PHE 83 CO 0.54 -0.98 0.31 -0.48 -0.05 0.00 0.00 175.22 174.57 2aob s LEU 84 N -2.94 0.84 0.07 -1.99 0.05 -0.55 -4.94 118.68 109.22 2aob s LEU 84 Ca 0.15 -0.50 0.09 0.00 0.05 0.00 0.00 54.13 53.92 2aob s LEU 84 Cb -0.01 1.49 -0.03 0.00 -2.05 0.00 0.00 46.19 45.58 2aob s LEU 84 CO 0.03 -0.81 -0.22 -0.63 -0.55 0.00 0.00 176.35 174.17 2aob s ILE 85 N -3.84 2.56 0.13 1.48 1.01 -0.35 -0.94 121.20 121.26 2aob s ILE 85 Ca 0.05 -1.40 -0.12 0.00 0.00 0.00 0.00 60.65 59.18 2aob s ILE 85 Cb 0.03 -2.09 0.01 0.00 0.01 0.00 0.00 42.46 40.42 2aob s ILE 85 CO -0.10 0.25 0.31 0.00 0.00 0.00 0.00 174.94 175.39 2aob s ARG 86 N -1.66 1.05 0.49 2.79 1.70 -0.57 -0.08 118.95 122.69 2aob s ARG 86 Ca 0.15 -0.95 -0.23 0.00 -0.47 0.00 0.00 55.73 54.22 2aob s ARG 86 Cb -0.10 0.40 -0.06 0.00 -0.57 0.00 0.00 34.95 34.62 2aob s ARG 86 CO 0.06 -0.39 1.34 -1.21 -1.08 0.00 0.00 175.30 174.02 2aob s GLU 87 N -3.88 3.46 0.37 3.89 2.02 0.13 -0.22 118.70 124.46 2aob s GLU 87 Ca 0.09 2.21 -0.28 0.00 0.02 0.00 0.00 54.97 57.00 2aob s GLU 87 Cb 0.03 -2.43 -0.11 0.00 0.10 0.00 0.00 34.13 31.72 2aob s GLU 87 CO -0.07 -0.93 1.45 0.45 0.02 0.00 0.00 175.26 176.18 2aob s SER 88 N -0.88 6.43 0.50 -0.19 0.15 0.57 -4.49 113.70 115.79 2aob s SER 88 Ca 0.66 2.97 0.17 0.00 0.70 0.00 0.00 55.95 60.46 2aob s SER 88 Cb -0.39 -2.66 1.23 0.00 -1.71 0.00 0.00 66.02 62.48 2aob s SER 88 CO 0.48 -0.80 2.09 -0.08 1.20 0.00 0.00 173.24 176.12 2aob h GLU 89 N 3.12 0.10 0.00 5.44 4.81 -1.93 -3.34 114.58 122.78 2aob h GLU 89 Ca -0.50 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.72 2aob h GLU 89 Cb 1.24 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.59 2aob h GLU 89 CO 0.65 0.07 -0.89 -1.13 -0.73 0.00 0.00 179.01 176.97 2aob n SER 90 N -4.49 4.46 -4.11 1.04 3.41 -1.26 -4.98 113.62 107.70 2aob n SER 90 Ca 0.02 0.00 -0.35 0.00 -0.26 0.00 0.00 58.87 58.28 2aob n SER 90 Cb 0.24 0.80 -0.13 0.00 -0.26 0.00 0.00 64.21 64.86 2aob n SER 90 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2aob s ALA 91 N -1.81 3.00 -0.39 7.33 0.00 -1.26 -5.05 121.76 123.58 2aob s ALA 91 Ca 0.00 -2.31 -0.41 0.00 0.00 0.00 0.00 51.96 49.24 2aob s ALA 91 Cb 0.00 -2.17 -0.16 0.00 0.00 0.00 0.00 23.12 20.79 2aob s ALA 91 CO 0.00 -1.62 1.96 -2.30 0.00 0.00 0.00 175.76 173.79 2aob n PRO 92 N 4.52 0.67 -0.55 0.00 -0.02 -1.26 -0.83 135.00 137.54 2aob n PRO 92 Ca -0.04 0.22 0.00 0.00 -2.02 0.00 0.00 63.50 61.66 2aob n PRO 92 Cb 0.42 -1.97 0.00 0.00 -0.02 0.00 0.00 33.50 31.93 2aob n PRO 92 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2aob n GLY 93 N 5.71 0.85 3.89 -1.23 0.00 -1.26 -5.05 105.19 108.10 2aob n GLY 93 Ca 0.39 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.18 2aob n GLY 93 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2aob s ASP 94 N -3.01 5.92 0.15 1.61 1.01 -0.01 -5.02 116.67 117.31 2aob s ASP 94 Ca 0.00 -0.05 0.09 0.00 0.71 0.00 0.00 52.55 53.30 2aob s ASP 94 Cb 0.00 -1.64 -0.04 0.00 1.01 0.00 0.00 42.92 42.24 2aob s ASP 94 CO 0.00 -0.01 -0.17 -0.36 0.21 0.00 0.00 175.17 174.84 2aob s PHE 95 N -1.94 2.51 0.00 4.23 0.08 -1.26 -0.32 117.98 121.28 2aob s PHE 95 Ca 0.33 -0.27 0.06 0.00 0.12 0.00 0.00 56.93 57.17 2aob s PHE 95 Cb -0.09 -1.29 -0.02 0.00 -0.57 0.00 0.00 43.02 41.05 2aob s PHE 95 CO 0.27 0.44 -0.20 -1.12 -0.10 0.00 0.00 175.22 174.51 2aob s SER 96 N -2.43 2.34 -0.18 1.36 0.01 0.69 -1.46 113.70 114.04 2aob s SER 96 Ca 0.20 -0.40 -0.07 0.00 1.31 0.00 0.00 55.95 57.00 2aob s SER 96 Cb -0.10 -0.24 -0.04 0.00 0.21 0.00 0.00 66.02 65.86 2aob s SER 96 CO 0.11 0.22 0.04 -0.22 0.41 0.00 0.00 173.24 173.80 2aob s LEU 97 N -0.65 3.67 -0.10 2.44 2.96 0.66 -1.51 118.68 126.15 2aob s LEU 97 Ca 0.07 0.03 0.02 0.00 -0.22 0.00 0.00 54.13 54.03 2aob s LEU 97 Cb -0.08 -1.92 -0.01 0.00 0.50 0.00 0.00 46.19 44.68 2aob s LEU 97 CO -0.00 0.17 -0.18 -0.44 -1.32 0.00 0.00 176.35 174.58 2aob s SER 98 N 0.39 3.63 -0.04 3.68 0.01 -0.11 -0.43 113.70 120.83 2aob s SER 98 Ca 0.01 -0.40 0.01 0.00 1.31 0.00 0.00 55.95 56.88 2aob s SER 98 Cb -0.13 -1.39 0.02 0.00 0.21 0.00 0.00 66.02 64.73 2aob s SER 98 CO 0.01 0.19 -0.04 0.54 0.41 0.00 0.00 173.24 174.35 2aob s VAL 99 N 0.18 0.50 -0.01 3.43 0.11 -0.18 -1.48 120.40 122.95 2aob s VAL 99 Ca -0.10 -0.12 -0.30 0.00 -2.93 0.00 0.00 61.98 58.53 2aob s VAL 99 Cb -0.16 -0.52 -0.06 0.00 -1.53 0.00 0.00 36.38 34.12 2aob s VAL 99 CO 0.06 0.21 1.49 -0.75 -3.33 0.00 0.00 175.10 172.78 2aob s LYS 100 N 0.79 4.24 -0.17 1.54 2.20 0.36 -1.08 119.74 127.62 2aob s LYS 100 Ca -0.10 2.06 -0.05 0.00 -0.36 0.00 0.00 55.97 57.52 2aob s LYS 100 Cb -0.13 -3.68 0.07 0.00 -1.51 0.00 0.00 37.83 32.57 2aob s LYS 100 CO 0.00 -0.68 0.12 0.12 -0.36 0.00 0.00 175.35 174.55 2aob s PHE 101 N 2.89 0.09 0.00 4.03 5.36 -0.10 -0.10 117.98 130.14 2aob s PHE 101 Ca 0.67 -0.17 0.00 0.00 -0.96 0.00 0.00 56.93 56.47 2aob s PHE 101 Cb -0.33 -0.61 0.00 0.00 -0.34 0.00 0.00 43.02 41.74 2aob s PHE 101 CO 0.27 -0.51 0.00 0.41 -1.46 0.00 0.00 175.22 173.93 2aob n GLY 102 N 5.29 3.37 1.42 13.12 0.00 -1.26 -2.46 105.19 124.66 2aob n GLY 102 Ca -0.07 0.01 0.09 0.00 0.00 0.00 0.00 46.02 46.06 2aob n GLY 102 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2aob n ASN 103 N 4.47 4.17 -0.91 1.61 2.04 -1.26 -4.89 115.26 120.50 2aob n ASN 103 Ca 0.00 -2.31 0.00 0.00 -0.44 0.00 0.00 54.58 51.83 2aob n ASN 103 Cb 0.00 -0.53 0.00 0.00 -2.53 0.00 0.00 39.78 36.72 2aob n ASN 103 CO 0.00 0.00 0.00 -0.90 -0.44 0.00 0.00 177.26 175.92 2aob n ASP 104 N 1.11 0.14 -4.02 0.53 5.68 -1.03 -5.12 116.55 113.85 2aob n ASP 104 Ca 0.23 -0.85 -0.28 0.00 -0.50 0.00 0.00 54.79 53.39 2aob n ASP 104 Cb 0.76 0.00 -0.17 0.00 -1.14 0.00 0.00 41.12 40.57 2aob n ASP 104 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 2aob s VAL 105 N -1.77 1.41 0.09 2.12 1.01 -1.26 -0.92 120.40 121.07 2aob s VAL 105 Ca 0.00 -0.57 -0.10 0.00 0.00 0.00 0.00 61.98 61.31 2aob s VAL 105 Cb 0.00 -1.31 -0.06 0.00 0.00 0.00 0.00 36.38 35.01 2aob s VAL 105 CO 0.00 0.43 0.41 -1.10 0.00 0.00 0.00 175.10 174.84 2aob s GLN 106 N 1.17 3.77 -0.12 2.72 -0.21 -0.24 -4.90 119.66 121.85 2aob s GLN 106 Ca -0.03 0.19 0.02 0.00 0.02 0.00 0.00 55.36 55.56 2aob s GLN 106 Cb -0.14 -2.99 -0.00 0.00 1.00 0.00 0.00 33.01 30.88 2aob s GLN 106 CO -0.04 0.55 -0.19 -1.01 -2.12 0.00 0.00 175.29 172.48 2aob s HIS 107 N -1.41 2.68 -0.04 0.91 3.76 -1.26 -1.01 115.29 118.91 2aob s HIS 107 Ca 0.34 -0.92 0.06 0.00 -0.15 0.00 0.00 55.06 54.38 2aob s HIS 107 Cb -0.14 -1.78 -0.02 0.00 1.11 0.00 0.00 32.58 31.75 2aob s HIS 107 CO 0.18 -0.36 -0.20 -0.06 -0.85 0.00 0.00 174.74 173.45 2aob s PHE 108 N 0.42 2.53 0.20 1.40 0.08 0.43 -4.96 117.98 118.07 2aob s PHE 108 Ca -0.14 -0.34 -0.30 0.00 0.12 0.00 0.00 56.93 56.27 2aob s PHE 108 Cb -0.17 -1.58 -0.08 0.00 -0.57 0.00 0.00 43.02 40.62 2aob s PHE 108 CO 0.06 0.04 1.07 0.15 -0.10 0.00 0.00 175.22 176.45 2aob s LYS 109 N -0.59 4.64 -0.46 0.44 1.02 -1.26 -0.24 119.74 123.28 2aob s LYS 109 Ca 0.09 1.69 -0.26 0.00 0.02 0.00 0.00 55.97 57.50 2aob s LYS 109 Cb -0.11 -3.27 0.03 0.00 -0.52 0.00 0.00 37.83 33.96 2aob s LYS 109 CO 0.00 0.16 0.96 0.08 -0.92 0.00 0.00 175.35 175.63 2aob s VAL 110 N -0.48 4.44 0.41 3.17 1.01 -0.53 -4.78 120.40 123.63 2aob s VAL 110 Ca 0.47 0.84 -0.18 0.00 0.00 0.00 0.00 61.98 63.12 2aob s VAL 110 Cb -0.29 -4.46 -0.10 0.00 0.00 0.00 0.00 36.38 31.54 2aob s VAL 110 CO 0.35 -0.85 0.88 -0.76 0.00 0.00 0.00 175.10 174.72 2aob s LEU 111 N 3.85 3.93 0.09 3.92 1.43 -0.10 -4.55 118.68 127.25 2aob s LEU 111 Ca 0.39 1.51 0.07 0.00 -1.03 0.00 0.00 54.13 55.07 2aob s LEU 111 Cb -0.10 -4.36 -0.03 0.00 0.03 0.00 0.00 46.19 41.73 2aob s LEU 111 CO 0.27 -0.35 -0.18 -0.13 0.23 0.00 0.00 176.35 176.19 2aob s ARG 112 N -3.29 1.01 0.30 1.70 1.81 -1.26 -1.68 118.95 117.54 2aob s ARG 112 Ca 0.58 -1.09 0.03 0.00 -1.72 0.00 0.00 55.73 53.54 2aob s ARG 112 Cb -0.10 -1.17 0.03 0.00 -0.45 0.00 0.00 34.95 33.27 2aob s ARG 112 CO 0.18 0.27 0.29 -0.40 -0.68 0.00 0.00 175.30 174.95 2aob n ASP 113 N 1.13 1.69 0.28 0.23 5.68 -1.08 -4.94 116.55 119.54 2aob n ASP 113 Ca -0.20 -1.96 0.15 0.00 -0.50 0.00 0.00 54.79 52.28 2aob n ASP 113 Cb 0.54 -0.09 0.85 0.00 -1.14 0.00 0.00 41.12 41.28 2aob n ASP 113 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 2aob h GLY 114 N 0.26 0.00 0.29 6.12 0.00 -2.02 -1.79 103.07 105.93 2aob h GLY 114 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.16 2aob h GLY 114 CO 0.27 0.00 -0.14 0.00 0.00 0.00 0.00 176.54 176.67 2aob n ALA 115 N -2.27 2.85 -0.68 3.60 0.00 -1.26 -4.92 120.51 117.82 2aob n ALA 115 Ca -0.02 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.05 2aob n ALA 115 Cb 0.16 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.40 2aob n ALA 115 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2aob n GLY 116 N 1.27 0.61 3.87 0.00 0.00 -0.67 -5.06 105.19 105.21 2aob n GLY 116 Ca 0.15 -0.41 -0.30 0.00 0.00 0.00 0.00 46.02 45.45 2aob n GLY 116 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2aob s LYS 117 N -0.89 3.05 -0.04 1.61 -0.14 -1.26 -4.78 119.74 117.29 2aob s LYS 117 Ca 0.00 0.61 0.02 0.00 -1.36 0.00 0.00 55.97 55.24 2aob s LYS 117 Cb 0.00 -2.03 -0.03 0.00 -1.68 0.00 0.00 37.83 34.09 2aob s LYS 117 CO 0.00 -0.93 -0.09 0.71 -0.76 0.00 0.00 175.35 174.28 2aob s TYR 118 N -3.26 2.85 0.07 3.18 2.02 -1.26 -2.65 117.35 118.29 2aob s TYR 118 Ca 0.57 -0.05 -0.26 0.00 -0.37 0.00 0.00 57.07 56.96 2aob s TYR 118 Cb -0.11 -1.65 0.09 0.00 -0.40 0.00 0.00 41.96 39.88 2aob s TYR 118 CO 0.53 0.30 0.77 -0.59 -1.57 0.00 0.00 175.55 174.99 2aob s PHE 119 N -0.84 -0.42 -0.34 2.71 -0.12 -0.68 -5.00 117.98 113.29 2aob s PHE 119 Ca 0.13 0.25 0.20 0.00 -0.05 0.00 0.00 56.93 57.47 2aob s PHE 119 Cb -0.11 0.55 -0.28 0.00 -0.63 0.00 0.00 43.02 42.55 2aob s PHE 119 CO 0.03 -0.68 0.58 1.28 -0.05 0.00 0.00 175.22 176.38 2aob n LEU 120 N -0.30 0.32 -3.57 -1.99 4.77 -1.26 -0.92 117.00 114.04 2aob n LEU 120 Ca -0.12 -0.17 -0.09 0.00 -0.03 0.00 0.00 56.01 55.60 2aob n LEU 120 Cb 0.63 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.68 2aob n LEU 120 CO 0.11 0.08 0.82 -1.66 -1.33 0.00 0.00 177.39 175.41 2aob s TRP 121 N -3.23 -0.30 -0.28 -1.77 1.48 -1.26 -4.88 118.94 108.70 2aob s TRP 121 Ca -0.02 0.43 -0.26 0.00 -1.06 0.00 0.00 56.10 55.18 2aob s TRP 121 Cb 0.14 0.48 0.00 0.00 -1.16 0.00 0.00 33.47 32.93 2aob s TRP 121 CO 0.83 -0.33 0.91 0.08 -4.06 0.00 0.00 176.95 174.38 2aob s VAL 122 N -1.66 4.72 -0.85 -0.66 1.01 -1.26 -4.98 120.40 116.72 2aob s VAL 122 Ca 0.02 1.55 -0.20 0.00 0.00 0.00 0.00 61.98 63.35 2aob s VAL 122 Cb -0.01 -4.23 0.11 0.00 0.00 0.00 0.00 36.38 32.25 2aob s VAL 122 CO -0.02 -0.25 1.09 0.68 0.00 0.00 0.00 175.10 176.61 2aob s VAL 123 N 3.13 4.56 0.04 2.92 -7.23 -1.26 -4.93 120.40 117.64 2aob s VAL 123 Ca 0.38 -1.17 -0.02 0.00 -1.81 0.00 0.00 61.98 59.36 2aob s VAL 123 Cb -0.14 -4.77 -0.03 0.00 0.56 0.00 0.00 36.38 32.00 2aob s VAL 123 CO 0.11 -1.52 -0.00 -0.54 -0.31 0.00 0.00 175.10 172.84 2aob s LYS 124 N 3.22 0.52 0.06 4.82 1.02 -1.26 -5.17 119.74 122.95 2aob s LYS 124 Ca 0.30 -0.96 0.06 0.00 0.02 0.00 0.00 55.97 55.39 2aob s LYS 124 Cb -0.08 0.19 -0.03 0.00 -0.52 0.00 0.00 37.83 37.39 2aob s LYS 124 CO -0.04 -0.10 -0.16 -0.06 -0.92 0.00 0.00 175.35 174.07 2aob s PHE 125 N -2.98 1.36 -0.37 3.18 0.40 -1.26 -5.05 117.98 113.26 2aob s PHE 125 Ca -0.02 -0.41 0.23 0.00 -0.60 0.00 0.00 56.93 56.13 2aob s PHE 125 Cb 0.01 -0.78 0.37 0.00 0.51 0.00 0.00 43.02 43.13 2aob s PHE 125 CO -0.07 0.08 1.62 -0.91 0.70 0.00 0.00 175.22 176.64 2aob h ASN 126 N 4.52 0.00 -5.14 1.36 2.35 -2.02 -3.47 115.58 113.17 2aob h ASN 126 Ca -0.41 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.22 2aob h ASN 126 Cb 1.18 0.00 -0.16 0.00 0.05 0.00 0.00 38.32 39.39 2aob h ASN 126 CO 0.42 0.05 -0.55 -0.44 -1.65 0.00 0.00 177.43 175.26 2aob s SER 127 N -6.21 0.27 0.32 5.81 0.01 -1.26 -5.03 113.70 107.60 2aob s SER 127 Ca 0.06 -0.70 0.00 0.00 1.31 0.00 0.00 55.95 56.62 2aob s SER 127 Cb 0.06 0.24 0.54 0.00 0.21 0.00 0.00 66.02 67.06 2aob s SER 127 CO 0.67 -0.57 1.96 -0.07 0.41 0.00 0.00 173.24 175.63 2aob h LEU 128 N 3.35 0.86 -0.72 2.44 4.07 -2.00 -2.53 115.31 120.79 2aob h LEU 128 Ca -0.33 -0.01 -0.05 0.00 0.08 0.00 0.00 57.88 57.56 2aob h LEU 128 Cb 1.17 -0.20 -0.03 0.00 1.08 0.00 0.00 40.66 42.68 2aob h LEU 128 CO 0.56 0.60 0.24 -1.13 -1.08 0.00 0.00 178.44 177.63 2aob h ASN 129 N 1.00 1.03 -0.53 -0.43 -0.73 -1.98 0.62 115.58 114.56 2aob h ASN 129 Ca 0.32 -0.20 -0.00 0.00 1.87 0.00 0.00 56.30 58.29 2aob h ASN 129 Cb 0.02 -0.27 -0.03 0.00 0.27 0.00 0.00 38.32 38.31 2aob h ASN 129 CO -0.09 0.95 0.32 -0.33 -0.37 0.00 0.00 177.43 177.91 2aob h GLU 130 N 1.05 0.71 -0.00 6.67 5.08 -1.90 0.17 114.58 126.35 2aob h GLU 130 Ca 0.23 -0.06 0.02 0.00 -1.00 0.00 0.00 59.36 58.55 2aob h GLU 130 Cb 0.28 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.35 2aob h GLU 130 CO -0.01 0.52 -0.13 1.25 -1.00 0.00 0.00 179.01 179.63 2aob h LEU 131 N 0.71 -0.38 -0.46 1.33 6.46 -1.02 -0.82 115.31 121.13 2aob h LEU 131 Ca 0.19 0.06 0.06 0.00 -0.12 0.00 0.00 57.88 58.07 2aob h LEU 131 Cb -0.02 0.16 -0.05 0.00 -0.73 0.00 0.00 40.66 40.02 2aob h LEU 131 CO -0.04 -0.18 0.14 0.58 -0.62 0.00 0.00 178.44 178.32 2aob h VAL 132 N -0.22 0.83 -0.37 1.05 2.07 -0.66 -2.26 116.25 116.69 2aob h VAL 132 Ca 0.05 -0.10 -0.05 0.00 0.82 0.00 0.00 66.70 67.41 2aob h VAL 132 Cb 0.28 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 2aob h VAL 132 CO -0.13 0.06 0.03 -0.78 0.02 0.00 0.00 177.57 176.77 2aob h ASP 133 N 0.31 0.61 -0.60 0.57 3.58 -0.27 -2.20 116.42 118.41 2aob h ASP 133 Ca 0.22 -0.28 0.12 0.00 0.42 0.00 0.00 57.03 57.51 2aob h ASP 133 Cb 0.24 -0.16 -0.09 0.00 1.72 0.00 0.00 39.33 41.03 2aob h ASP 133 CO -0.24 0.74 0.07 0.22 -2.88 0.00 0.00 179.24 177.15 2aob h TYR 134 N 0.46 0.09 -0.25 0.28 3.20 -0.98 -2.43 116.97 117.35 2aob h TYR 134 Ca 0.11 0.04 0.00 0.00 3.14 0.00 0.00 58.73 62.02 2aob h TYR 134 Cb 0.41 0.05 0.00 0.00 1.54 0.00 0.00 36.73 38.73 2aob h TYR 134 CO 0.03 -0.09 0.00 0.72 -1.64 0.00 0.00 178.16 177.18 2aob n HIS 135 N -5.20 0.33 0.12 -3.82 8.25 -0.86 -2.32 115.22 111.72 2aob n HIS 135 Ca 0.09 -0.16 -0.02 0.00 -0.26 0.00 0.00 57.72 57.36 2aob n HIS 135 Cb 0.34 0.00 0.18 0.00 1.12 0.00 0.00 29.99 31.63 2aob n HIS 135 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2aob h ARG 136 N 1.61 0.10 -0.00 -0.41 3.08 -1.03 0.77 114.38 118.49 2aob h ARG 136 Ca 0.00 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.99 2aob h ARG 136 Cb 0.37 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.42 2aob h ARG 136 CO 0.00 0.64 -0.01 -1.13 -1.07 0.00 0.00 179.97 178.39 2aob n SER 137 N -3.88 1.24 -4.11 7.04 3.41 -1.16 -4.46 113.62 111.69 2aob n SER 137 Ca -0.02 -1.12 -0.25 0.00 -0.26 0.00 0.00 58.87 57.23 2aob n SER 137 Cb 0.58 0.08 -0.16 0.00 -0.26 0.00 0.00 64.21 64.45 2aob n SER 137 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2aob s THR 138 N -0.40 1.31 0.44 6.66 2.01 -0.98 -5.07 115.64 119.60 2aob s THR 138 Ca 0.04 -0.65 -0.26 0.00 0.31 0.00 0.00 61.69 61.13 2aob s THR 138 Cb 0.03 -1.12 -0.09 0.00 0.01 0.00 0.00 72.50 71.33 2aob s THR 138 CO 0.06 0.38 1.41 -0.24 -0.69 0.00 0.00 174.62 175.54 2aob n SER 139 N 3.13 3.25 0.04 3.53 2.88 -1.26 -4.34 113.62 120.84 2aob n SER 139 Ca -0.18 1.13 0.14 0.00 -1.33 0.00 0.00 58.87 58.63 2aob n SER 139 Cb 0.53 -1.59 0.54 0.00 -0.75 0.00 0.00 64.21 62.95 2aob n SER 139 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 2aob n VAL 140 N -0.13 0.21 -3.97 2.46 0.24 -0.21 -4.89 118.33 112.05 2aob n VAL 140 Ca 0.05 -0.10 -0.33 0.00 -2.04 0.00 0.00 64.34 61.92 2aob n VAL 140 Cb 0.41 -0.53 -0.05 0.00 -1.47 0.00 0.00 33.84 32.20 2aob n VAL 140 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2aob s SER 141 N -3.55 6.13 0.00 -1.34 0.15 -1.26 -5.00 113.70 108.83 2aob s SER 141 Ca 0.13 0.25 0.27 0.00 0.70 0.00 0.00 55.95 57.30 2aob s SER 141 Cb 0.17 -1.86 0.87 0.00 -1.71 0.00 0.00 66.02 63.49 2aob s SER 141 CO 0.55 0.24 1.66 -2.11 1.20 0.00 0.00 173.24 174.79 2aob n ARG 142 N 0.83 0.15 0.00 5.44 1.85 -1.26 -4.33 116.66 119.34 2aob n ARG 142 Ca -0.10 -0.06 0.00 0.00 -1.00 0.00 0.00 57.85 56.69 2aob n ARG 142 Cb 0.52 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.43 2aob n ARG 142 CO 0.00 0.00 0.00 0.27 -0.01 0.00 0.00 177.63 177.89 2aob n ASN 143 N -1.37 0.43 -4.37 2.89 2.04 -1.26 -5.08 115.26 108.54 2aob n ASN 143 Ca 0.08 -0.17 -0.19 0.00 -0.44 0.00 0.00 54.58 53.85 2aob n ASN 143 Cb 0.33 0.43 -0.10 0.00 -2.53 0.00 0.00 39.78 37.90 2aob n ASN 143 CO 0.00 0.00 0.00 -1.10 -0.44 0.00 0.00 177.26 175.72 2aob s GLN 144 N -0.51 1.39 -0.60 -3.83 -0.21 -1.26 -5.11 119.66 109.53 2aob s GLN 144 Ca 0.00 -1.64 -0.21 0.00 0.02 0.00 0.00 55.36 53.53 2aob s GLN 144 Cb 0.00 -1.14 0.08 0.00 1.00 0.00 0.00 33.01 32.95 2aob s GLN 144 CO 0.00 0.15 0.80 -0.65 -2.12 0.00 0.00 175.29 173.48 2aob s GLN 145 N -3.66 3.09 -0.19 2.91 -1.52 -1.26 -4.30 119.66 114.73 2aob s GLN 145 Ca 0.24 -1.03 -0.04 0.00 -1.95 0.00 0.00 55.36 52.58 2aob s GLN 145 Cb 0.00 -4.22 0.06 0.00 -0.22 0.00 0.00 33.01 28.63 2aob s GLN 145 CO 0.08 -1.60 0.07 0.42 -0.25 0.00 0.00 175.29 174.01 2aob s ILE 146 N 3.26 0.13 -0.04 1.08 1.01 -1.26 -5.06 121.20 120.32 2aob s ILE 146 Ca 0.17 -0.34 -0.04 0.00 0.00 0.00 0.00 60.65 60.44 2aob s ILE 146 Cb -0.20 -0.76 -0.04 0.00 0.01 0.00 0.00 42.46 41.47 2aob s ILE 146 CO 0.09 -0.28 0.18 -0.36 0.00 0.00 0.00 174.94 174.56 2aob s PHE 147 N 2.04 3.57 0.20 3.97 0.40 -1.26 -1.05 117.98 125.84 2aob s PHE 147 Ca 0.01 0.42 -0.31 0.00 -0.60 0.00 0.00 56.93 56.46 2aob s PHE 147 Cb -0.16 -1.87 -0.10 0.00 0.51 0.00 0.00 43.02 41.40 2aob s PHE 147 CO -0.10 0.67 1.47 -0.51 0.70 0.00 0.00 175.22 177.45 2aob s LEU 148 N -1.67 4.38 0.02 -0.37 1.43 0.26 -4.98 118.68 117.75 2aob s LEU 148 Ca 0.24 2.59 0.03 0.00 -1.03 0.00 0.00 54.13 55.95 2aob s LEU 148 Cb -0.12 -3.61 -0.02 0.00 0.03 0.00 0.00 46.19 42.47 2aob s LEU 148 CO 0.14 -0.72 -0.09 -0.13 0.23 0.00 0.00 176.35 175.78 2aob s ARG 149 N 0.35 0.63 0.22 1.70 3.00 -1.26 -4.50 118.95 119.08 2aob s ARG 149 Ca 0.63 -0.54 -0.32 0.00 0.00 0.00 0.00 55.73 55.50 2aob s ARG 149 Cb -0.41 -0.54 -0.13 0.00 0.00 0.00 0.00 34.95 33.86 2aob s ARG 149 CO 0.37 0.13 1.45 -0.25 0.00 0.00 0.00 175.30 177.00 2aob n ASP 150 N 2.16 2.84 0.00 0.23 8.00 -1.26 -5.20 116.55 123.32 2aob n ASP 150 Ca -0.18 1.13 0.13 0.00 0.71 0.00 0.00 54.79 56.59 2aob n ASP 150 Cb 0.56 -1.43 0.79 0.00 -0.02 0.00 0.00 41.12 41.02 2aob n ASP 150 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81