#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 3.46 -0.37 1.64 0.02 -1.26 -5.02 135.00 133.47 2aob s PRO 57 Ca 0.00 1.43 0.12 0.00 0.02 0.00 0.00 61.00 62.57 2aob s PRO 57 Cb 0.00 -2.04 0.35 0.00 0.02 0.00 0.00 34.50 32.83 2aob s PRO 57 CO 0.00 -0.72 0.74 -2.39 -0.33 0.00 0.00 177.00 174.29 2aob n HIS 58 N -1.40 0.26 0.48 6.54 1.44 -1.26 -4.93 115.22 116.35 2aob n HIS 58 Ca 0.10 -3.81 0.08 0.00 -2.01 0.00 0.00 57.72 52.09 2aob n HIS 58 Cb 0.52 -0.42 0.35 0.00 0.12 0.00 0.00 29.99 30.56 2aob n HIS 58 CO 0.00 0.00 0.00 -0.35 -2.81 0.00 0.00 176.34 173.18 2aob n PRO 59 N 0.27 0.04 0.00 -1.40 -0.04 -1.26 -1.32 135.00 131.30 2aob n PRO 59 Ca 0.25 0.29 0.14 0.00 -0.04 0.00 0.00 63.50 64.13 2aob n PRO 59 Cb 0.66 -1.58 0.67 0.00 -0.04 0.00 0.00 33.50 33.20 2aob n PRO 59 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 2aob n TRP 60 N -1.67 0.00 -3.63 0.54 4.27 -1.26 -4.84 117.44 110.86 2aob n TRP 60 Ca 0.03 0.00 -0.37 0.00 -3.89 0.00 0.00 57.50 53.28 2aob n TRP 60 Cb 0.18 -0.36 -0.09 0.00 -1.36 0.00 0.00 31.31 29.68 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 -2.72 3.34 -0.11 -2.67 5.36 -0.43 -0.42 117.98 120.33 2aob s PHE 61 Ca 0.22 0.30 0.14 0.00 -0.96 0.00 0.00 56.93 56.63 2aob s PHE 61 Cb 0.19 -2.29 0.29 0.00 -0.34 0.00 0.00 43.02 40.86 2aob s PHE 61 CO 0.45 0.09 1.14 1.19 -1.46 0.00 0.00 175.22 176.64 2aob n PHE 62 N 4.19 0.00 0.00 10.12 3.72 0.99 -4.95 117.46 131.53 2aob n PHE 62 Ca -0.14 -0.89 0.00 0.00 -0.05 0.00 0.00 57.45 56.37 2aob n PHE 62 Cb 0.52 -0.16 0.00 0.00 -0.94 0.00 0.00 39.48 38.90 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 -0.88 3.59 1.25 1.37 0.00 -1.25 -2.20 105.19 107.06 2aob n GLY 63 Ca 0.13 0.11 0.06 0.00 0.00 0.00 0.00 46.02 46.32 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 3.09 -1.61 1.61 5.02 -1.26 -0.78 118.16 138.22 2aob n LYS 64 Ca 0.00 -2.01 -0.57 0.00 -2.02 0.00 0.00 58.31 53.71 2aob n LYS 64 Cb 0.00 -1.78 -0.07 0.00 -0.02 0.00 0.00 35.03 33.16 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 0.63 0.07 -1.68 -0.18 3.06 -0.93 -4.92 119.36 115.40 2aob n ILE 65 Ca 0.18 -0.01 -0.33 0.00 -2.50 0.00 0.00 62.75 60.09 2aob n ILE 65 Cb 0.72 -0.67 0.06 0.00 0.54 0.00 0.00 39.64 40.29 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 1.32 2.65 0.22 9.51 0.02 -1.26 -4.82 135.00 142.64 2aob s PRO 66 Ca 0.91 1.47 -0.08 0.00 0.02 0.00 0.00 61.00 63.33 2aob s PRO 66 Cb -1.12 -1.92 0.36 0.00 0.02 0.00 0.00 34.50 31.83 2aob s PRO 66 CO 0.57 -1.38 1.71 -0.09 -0.33 0.00 0.00 177.00 177.48 2aob h ARG 67 N -0.04 0.30 -0.90 5.54 2.43 -1.93 -0.42 114.38 119.36 2aob h ARG 67 Ca -0.47 -0.02 0.07 0.00 -0.81 0.00 0.00 59.98 58.75 2aob h ARG 67 Cb 1.26 -0.07 -0.07 0.00 -0.42 0.00 0.00 29.97 30.67 2aob h ARG 67 CO 0.53 0.20 0.56 0.00 -1.51 0.00 0.00 179.97 179.76 2aob h ALA 68 N 1.51 1.26 -0.00 2.80 0.00 -2.00 -0.84 119.26 122.00 2aob h ALA 68 Ca 0.35 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 55.06 2aob h ALA 68 Cb 0.54 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2aob h ALA 68 CO -0.41 0.30 -0.86 -0.22 0.00 0.00 0.00 179.25 178.06 2aob h LYS 69 N 1.01 0.21 -0.74 0.00 1.63 -1.71 -0.76 116.57 116.21 2aob h LYS 69 Ca 0.40 -0.22 -0.03 0.00 -0.85 0.00 0.00 60.65 59.94 2aob h LYS 69 Cb 0.22 0.06 -0.03 0.00 -0.60 0.00 0.00 32.23 31.87 2aob h LYS 69 CO -0.19 0.95 0.33 0.00 -3.45 0.00 0.00 179.45 177.09 2aob h ALA 70 N 0.98 0.96 -0.61 5.00 0.00 -0.53 -1.23 119.26 123.83 2aob h ALA 70 Ca -0.04 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.64 2aob h ALA 70 Cb 1.48 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 2aob h ALA 70 CO 0.13 0.55 0.15 0.93 0.00 0.00 0.00 179.25 181.02 2aob h GLU 71 N 1.05 0.97 -0.28 0.00 5.08 -0.76 -1.56 114.58 119.08 2aob h GLU 71 Ca 0.25 -0.23 -0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2aob h GLU 71 Cb 0.17 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 2aob h GLU 71 CO -0.03 0.89 0.17 0.93 -1.00 0.00 0.00 179.01 179.97 2aob h GLU 72 N 0.88 0.39 0.42 2.33 5.08 -0.85 -0.21 114.58 122.62 2aob h GLU 72 Ca 0.19 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.49 2aob h GLU 72 Cb 0.35 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.52 2aob h GLU 72 CO 0.00 0.31 -0.20 1.98 -1.00 0.00 0.00 179.01 180.10 2aob h MET 73 N 0.36 -0.54 -0.82 2.33 1.85 -1.06 -3.26 114.93 113.79 2aob h MET 73 Ca 0.10 0.04 -0.04 0.00 -0.61 0.00 0.00 59.70 59.19 2aob h MET 73 Cb 0.02 0.12 -0.04 0.00 0.43 0.00 0.00 31.60 32.14 2aob h MET 73 CO -0.02 -0.25 0.37 -0.07 -0.40 0.00 0.00 176.91 176.54 2aob h LEU 74 N -0.80 1.09 -1.64 3.39 3.38 -1.32 -2.19 115.31 117.22 2aob h LEU 74 Ca -0.06 -0.14 0.04 0.00 0.09 0.00 0.00 57.88 57.81 2aob h LEU 74 Cb 0.54 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 2aob h LEU 74 CO 0.09 0.93 0.51 -1.28 0.09 0.00 0.00 178.44 178.79 2aob h SER 75 N 1.17 0.00 -0.43 -0.43 0.87 -1.07 0.17 113.55 113.83 2aob h SER 75 Ca 0.28 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.84 2aob h SER 75 Cb 0.16 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.12 2aob h SER 75 CO -0.03 0.00 0.00 0.29 -0.53 0.00 0.00 176.83 176.56 2aob n LYS 76 N -3.03 2.17 -3.03 2.24 5.02 -0.82 -4.94 118.16 115.76 2aob n LYS 76 Ca 0.02 -1.80 -0.39 0.00 -2.02 0.00 0.00 58.31 54.12 2aob n LYS 76 Cb 0.59 -1.42 -0.06 0.00 -0.02 0.00 0.00 35.03 34.12 2aob n LYS 76 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 2aob s GLN 77 N -1.43 4.51 0.13 1.97 -1.52 0.59 -5.01 119.66 118.89 2aob s GLN 77 Ca 0.35 1.09 -0.20 0.00 -1.95 0.00 0.00 55.36 54.65 2aob s GLN 77 Cb 0.19 -3.26 -0.04 0.00 -0.22 0.00 0.00 33.01 29.68 2aob s GLN 77 CO 0.26 0.58 1.73 0.07 -0.25 0.00 0.00 175.29 177.68 2aob h ARG 78 N 4.37 0.10 -6.48 2.91 0.11 -1.92 -3.45 114.38 110.02 2aob h ARG 78 Ca -0.47 -0.01 -0.70 0.00 0.10 0.00 0.00 59.98 58.90 2aob h ARG 78 Cb 1.21 -0.02 -0.30 0.00 1.11 0.00 0.00 29.97 31.97 2aob h ARG 78 CO 0.66 0.06 -0.88 -1.01 0.10 0.00 0.00 179.97 178.90 2aob s HIS 79 N -6.19 2.38 0.22 4.08 3.76 -1.26 -5.09 115.29 113.20 2aob s HIS 79 Ca -0.13 -0.47 -0.30 0.00 -0.15 0.00 0.00 55.06 54.01 2aob s HIS 79 Cb 0.09 -1.53 -0.15 0.00 1.11 0.00 0.00 32.58 32.10 2aob s HIS 79 CO 0.69 -0.05 1.02 -0.25 -0.85 0.00 0.00 174.74 175.29 2aob n ASP 80 N 2.52 0.98 0.00 1.40 8.00 -1.26 -1.86 116.55 126.33 2aob n ASP 80 Ca -0.16 1.16 0.00 0.00 0.71 0.00 0.00 54.79 56.49 2aob n ASP 80 Cb 0.51 -1.21 0.00 0.00 -0.02 0.00 0.00 41.12 40.40 2aob n ASP 80 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2aob n GLY 81 N 1.67 3.20 3.67 0.44 0.00 0.33 -5.00 105.19 109.51 2aob n GLY 81 Ca 0.13 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.51 1.37 -2.89 4.61 0.00 -0.78 -4.72 120.51 116.59 2aob n ALA 82 Ca 0.00 0.44 -0.10 0.00 0.00 0.00 0.00 53.44 53.79 2aob n ALA 82 Cb 0.00 -2.35 -0.06 0.00 0.00 0.00 0.00 19.45 17.03 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 0.88 0.50 0.17 0.00 -0.12 -1.26 -0.46 117.98 117.68 2aob s PHE 83 Ca 0.78 -0.84 -0.10 0.00 -0.05 0.00 0.00 56.93 56.73 2aob s PHE 83 Cb -0.68 -0.00 -0.01 0.00 -0.63 0.00 0.00 43.02 41.71 2aob s PHE 83 CO 0.38 -0.86 0.31 -0.48 -0.05 0.00 0.00 175.22 174.52 2aob s LEU 84 N -3.03 0.85 -0.02 -1.99 0.05 -0.56 -4.94 118.68 109.03 2aob s LEU 84 Ca 0.24 -0.84 0.05 0.00 0.05 0.00 0.00 54.13 53.63 2aob s LEU 84 Cb 0.02 1.30 -0.03 0.00 -2.05 0.00 0.00 46.19 45.43 2aob s LEU 84 CO 0.07 -0.92 -0.16 -0.63 -0.55 0.00 0.00 176.35 174.17 2aob s ILE 85 N -3.96 2.94 0.17 1.48 1.01 0.44 -1.07 121.20 122.22 2aob s ILE 85 Ca 0.17 -0.87 -0.07 0.00 0.00 0.00 0.00 60.65 59.88 2aob s ILE 85 Cb 0.03 -2.17 -0.02 0.00 0.01 0.00 0.00 42.46 40.31 2aob s ILE 85 CO 0.00 0.52 0.24 0.00 0.00 0.00 0.00 174.94 175.70 2aob s ARG 86 N -0.92 1.15 0.35 2.79 1.70 -0.38 -0.01 118.95 123.64 2aob s ARG 86 Ca 0.12 -1.30 -0.28 0.00 -0.47 0.00 0.00 55.73 53.80 2aob s ARG 86 Cb -0.11 0.34 -0.10 0.00 -0.57 0.00 0.00 34.95 34.51 2aob s ARG 86 CO 0.02 -0.41 1.36 -1.21 -1.08 0.00 0.00 175.30 173.98 2aob s GLU 87 N -4.01 4.28 0.19 3.89 2.02 0.04 -0.36 118.70 124.75 2aob s GLU 87 Ca 0.22 2.33 -0.33 0.00 0.02 0.00 0.00 54.97 57.21 2aob s GLU 87 Cb 0.04 -3.04 -0.14 0.00 0.10 0.00 0.00 34.13 31.10 2aob s GLU 87 CO 0.03 -0.30 1.48 0.45 0.02 0.00 0.00 175.26 176.95 2aob n SER 88 N 0.69 2.85 0.27 -0.19 2.88 -0.33 -4.52 113.62 115.27 2aob n SER 88 Ca 0.00 1.11 0.12 0.00 -1.33 0.00 0.00 58.87 58.77 2aob n SER 88 Cb 0.41 -1.41 0.74 0.00 -0.75 0.00 0.00 64.21 63.19 2aob n SER 88 CO 0.00 0.00 0.00 1.05 -1.23 0.00 0.00 175.04 174.86 2aob h GLU 89 N 5.04 0.00 0.00 -1.46 4.11 -1.93 -3.25 114.58 117.09 2aob h GLU 89 Ca -0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.98 2aob h GLU 89 Cb 1.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.52 2aob h GLU 89 CO 0.82 0.09 -1.51 -1.13 0.07 0.00 0.00 179.01 177.35 2aob n SER 90 N -3.85 1.80 -3.68 3.06 3.41 -1.26 -4.86 113.62 108.25 2aob n SER 90 Ca -0.02 -0.08 -0.28 0.00 -0.26 0.00 0.00 58.87 58.22 2aob n SER 90 Cb 0.19 1.55 -0.12 0.00 -0.26 0.00 0.00 64.21 65.57 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 -2.86 2.57 -0.05 7.33 0.00 -1.23 -5.08 121.76 122.46 2aob s ALA 91 Ca -0.04 -3.06 -0.10 0.00 0.00 0.00 0.00 51.96 48.76 2aob s ALA 91 Cb 0.09 -1.90 -0.05 0.00 0.00 0.00 0.00 23.12 21.26 2aob s ALA 91 CO 0.55 -2.04 0.31 -2.30 0.00 0.00 0.00 175.76 172.28 2aob n PRO 92 N 2.65 0.00 0.00 0.00 -0.02 -1.26 -0.29 135.00 136.08 2aob n PRO 92 Ca 0.21 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.69 2aob n PRO 92 Cb 0.39 -0.37 0.00 0.00 -0.02 0.00 0.00 33.50 33.51 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 0.60 3.31 3.90 -1.23 0.00 -1.26 -5.03 105.19 105.48 2aob n GLY 93 Ca 0.06 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.63 5.79 0.16 1.61 1.01 0.61 -5.02 116.67 120.20 2aob s ASP 94 Ca 0.00 -0.19 0.11 0.00 0.71 0.00 0.00 52.55 53.18 2aob s ASP 94 Cb 0.00 -1.43 -0.04 0.00 1.01 0.00 0.00 42.92 42.46 2aob s ASP 94 CO 0.00 -0.17 -0.25 -0.36 0.21 0.00 0.00 175.17 174.60 2aob s PHE 95 N -2.13 2.32 -0.03 4.23 0.08 -1.26 -1.18 117.98 120.01 2aob s PHE 95 Ca 0.37 -0.36 0.07 0.00 0.12 0.00 0.00 56.93 57.13 2aob s PHE 95 Cb -0.08 -1.19 -0.02 0.00 -0.57 0.00 0.00 43.02 41.16 2aob s PHE 95 CO 0.27 0.43 -0.25 -1.12 -0.10 0.00 0.00 175.22 174.45 2aob s SER 96 N -2.40 2.97 -0.22 1.36 0.01 0.52 -1.15 113.70 114.78 2aob s SER 96 Ca 0.18 -0.47 -0.09 0.00 1.31 0.00 0.00 55.95 56.88 2aob s SER 96 Cb -0.09 -0.49 -0.04 0.00 0.21 0.00 0.00 66.02 65.61 2aob s SER 96 CO 0.08 0.29 0.10 -0.22 0.41 0.00 0.00 173.24 173.90 2aob s LEU 97 N -0.45 3.83 -0.16 2.44 2.96 0.78 -1.24 118.68 126.84 2aob s LEU 97 Ca 0.05 0.01 -0.02 0.00 -0.22 0.00 0.00 54.13 53.96 2aob s LEU 97 Cb -0.11 -2.01 -0.02 0.00 0.50 0.00 0.00 46.19 44.55 2aob s LEU 97 CO 0.00 0.07 -0.09 -0.44 -1.32 0.00 0.00 176.35 174.58 2aob s SER 98 N 0.99 4.26 -0.01 3.68 0.01 -0.23 -0.21 113.70 122.20 2aob s SER 98 Ca 0.05 -0.29 0.00 0.00 1.31 0.00 0.00 55.95 57.02 2aob s SER 98 Cb -0.14 -1.68 0.01 0.00 0.21 0.00 0.00 66.02 64.42 2aob s SER 98 CO 0.03 0.12 0.00 0.54 0.41 0.00 0.00 173.24 174.35 2aob s VAL 99 N 0.61 0.02 -0.11 3.43 0.11 0.57 -1.50 120.40 123.52 2aob s VAL 99 Ca -0.05 0.03 -0.29 0.00 -2.93 0.00 0.00 61.98 58.74 2aob s VAL 99 Cb -0.15 -0.05 -0.04 0.00 -1.53 0.00 0.00 36.38 34.60 2aob s VAL 99 CO 0.03 0.03 1.61 -0.75 -3.33 0.00 0.00 175.10 172.69 2aob s LYS 100 N 0.25 4.07 -0.18 1.54 2.47 0.39 -0.75 119.74 127.53 2aob s LYS 100 Ca -0.02 1.99 -0.05 0.00 -1.56 0.00 0.00 55.97 56.33 2aob s LYS 100 Cb -0.03 -3.98 0.07 0.00 -1.46 0.00 0.00 37.83 32.42 2aob s LYS 100 CO -0.01 -0.97 0.12 0.12 0.16 0.00 0.00 175.35 174.77 2aob s PHE 101 N 4.36 0.09 0.00 4.03 5.36 -0.17 -0.51 117.98 131.14 2aob s PHE 101 Ca 0.71 -0.19 0.00 0.00 -0.96 0.00 0.00 56.93 56.49 2aob s PHE 101 Cb -0.30 -0.62 0.00 0.00 -0.34 0.00 0.00 43.02 41.77 2aob s PHE 101 CO 0.28 -0.53 0.00 0.41 -1.46 0.00 0.00 175.22 173.92 2aob n GLY 102 N 5.29 3.95 1.42 13.12 0.00 -1.26 -2.27 105.19 125.44 2aob n GLY 102 Ca -0.07 0.02 0.10 0.00 0.00 0.00 0.00 46.02 46.07 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 7.43 4.35 -1.74 1.61 2.04 -1.26 -4.94 115.26 122.75 2aob n ASN 103 Ca 0.00 -2.30 -0.04 0.00 -0.44 0.00 0.00 54.58 51.80 2aob n ASN 103 Cb 0.00 -0.52 -0.01 0.00 -2.53 0.00 0.00 39.78 36.71 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 1.18 0.55 -3.79 0.53 5.68 -0.96 -5.11 116.55 114.63 2aob n ASP 104 Ca 0.24 -1.43 -0.24 0.00 -0.50 0.00 0.00 54.79 52.86 2aob n ASP 104 Cb 0.77 0.25 -0.17 0.00 -1.14 0.00 0.00 41.12 40.83 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 -2.00 0.51 0.08 2.12 1.01 -1.26 -1.00 120.40 119.86 2aob s VAL 105 Ca 0.05 -0.07 -0.13 0.00 0.00 0.00 0.00 61.98 61.83 2aob s VAL 105 Cb 0.00 -0.71 -0.06 0.00 0.00 0.00 0.00 36.38 35.61 2aob s VAL 105 CO 0.04 0.19 0.47 -1.10 0.00 0.00 0.00 175.10 174.70 2aob s GLN 106 N 1.91 3.91 -0.11 2.72 -0.21 0.07 -4.88 119.66 123.06 2aob s GLN 106 Ca 0.04 0.38 0.01 0.00 0.02 0.00 0.00 55.36 55.82 2aob s GLN 106 Cb -0.13 -3.05 -0.01 0.00 1.00 0.00 0.00 33.01 30.82 2aob s GLN 106 CO -0.06 0.57 -0.16 -1.01 -2.12 0.00 0.00 175.29 172.51 2aob s HIS 107 N -1.32 2.74 -0.08 0.91 3.76 -1.26 -0.31 115.29 119.72 2aob s HIS 107 Ca 0.32 -0.70 0.01 0.00 -0.15 0.00 0.00 55.06 54.55 2aob s HIS 107 Cb -0.15 -1.79 -0.03 0.00 1.11 0.00 0.00 32.58 31.72 2aob s HIS 107 CO 0.17 -0.23 -0.10 -0.06 -0.85 0.00 0.00 174.74 173.68 2aob s PHE 108 N 0.25 2.85 0.14 1.40 0.08 0.70 -4.98 117.98 118.43 2aob s PHE 108 Ca -0.11 -0.15 -0.28 0.00 0.12 0.00 0.00 56.93 56.51 2aob s PHE 108 Cb -0.16 -1.72 -0.07 0.00 -0.57 0.00 0.00 43.02 40.50 2aob s PHE 108 CO 0.06 0.18 0.89 0.15 -0.10 0.00 0.00 175.22 176.40 2aob s LYS 109 N -0.53 4.69 -0.49 0.44 1.02 -1.26 -0.16 119.74 123.44 2aob s LYS 109 Ca 0.08 1.35 -0.29 0.00 0.02 0.00 0.00 55.97 57.12 2aob s LYS 109 Cb -0.12 -3.33 0.03 0.00 -0.52 0.00 0.00 37.83 33.89 2aob s LYS 109 CO 0.02 0.37 1.14 0.08 -0.92 0.00 0.00 175.35 176.04 2aob s VAL 110 N -0.53 4.19 0.43 3.17 1.01 -0.30 -4.79 120.40 123.57 2aob s VAL 110 Ca 0.42 1.16 -0.22 0.00 0.00 0.00 0.00 61.98 63.33 2aob s VAL 110 Cb -0.24 -4.62 -0.10 0.00 0.00 0.00 0.00 36.38 31.43 2aob s VAL 110 CO 0.29 -1.06 1.00 -0.76 0.00 0.00 0.00 175.10 174.57 2aob s LEU 111 N 4.51 4.01 0.06 3.92 1.43 0.70 -4.59 118.68 128.73 2aob s LEU 111 Ca 0.47 1.87 0.07 0.00 -1.03 0.00 0.00 54.13 55.51 2aob s LEU 111 Cb -0.07 -4.39 -0.03 0.00 0.03 0.00 0.00 46.19 41.73 2aob s LEU 111 CO 0.31 -0.48 -0.20 -0.13 0.23 0.00 0.00 176.35 176.07 2aob s ARG 112 N -2.88 1.27 0.15 1.70 1.81 -1.26 -1.74 118.95 118.01 2aob s ARG 112 Ca 0.61 -1.01 0.02 0.00 -1.72 0.00 0.00 55.73 53.63 2aob s ARG 112 Cb -0.16 -1.44 0.02 0.00 -0.45 0.00 0.00 34.95 32.93 2aob s ARG 112 CO 0.20 0.36 0.17 -0.40 -0.68 0.00 0.00 175.30 174.94 2aob n ASP 113 N 1.59 0.96 0.29 0.23 5.75 -0.99 -4.95 116.55 119.43 2aob n ASP 113 Ca -0.18 -1.45 0.17 0.00 -0.01 0.00 0.00 54.79 53.31 2aob n ASP 113 Cb 0.53 -0.07 0.84 0.00 -1.03 0.00 0.00 41.12 41.40 2aob n ASP 113 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 2aob h GLY 114 N 0.09 0.00 -0.53 6.12 0.00 -2.02 -1.05 103.07 105.68 2aob h GLY 114 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.25 2aob h GLY 114 CO 0.12 0.00 -0.16 0.00 0.00 0.00 0.00 176.54 176.50 2aob n ALA 115 N -2.16 2.88 -0.74 3.60 0.00 -1.26 -4.93 120.51 117.89 2aob n ALA 115 Ca -0.01 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 52.93 2aob n ALA 115 Cb 0.22 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.62 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 1.29 0.60 3.82 0.00 0.00 -0.40 -5.06 105.19 105.45 2aob n GLY 116 Ca 0.14 -0.27 -0.32 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.66 3.33 -0.07 1.61 -0.14 -1.26 -4.79 119.74 117.76 2aob s LYS 117 Ca 0.00 1.03 -0.02 0.00 -1.36 0.00 0.00 55.97 55.62 2aob s LYS 117 Cb 0.00 -2.04 -0.04 0.00 -1.68 0.00 0.00 37.83 34.07 2aob s LYS 117 CO 0.00 -0.79 0.03 0.71 -0.76 0.00 0.00 175.35 174.54 2aob s TYR 118 N -2.75 3.22 0.02 3.18 2.02 -1.26 -2.35 117.35 119.43 2aob s TYR 118 Ca 0.60 0.22 -0.28 0.00 -0.37 0.00 0.00 57.07 57.24 2aob s TYR 118 Cb -0.14 -1.78 0.10 0.00 -0.40 0.00 0.00 41.96 39.74 2aob s TYR 118 CO 0.44 0.51 0.85 -0.59 -1.57 0.00 0.00 175.55 175.19 2aob s PHE 119 N -0.97 -0.37 -0.12 2.71 -0.12 -0.71 -5.00 117.98 113.40 2aob s PHE 119 Ca 0.16 0.22 0.17 0.00 -0.05 0.00 0.00 56.93 57.43 2aob s PHE 119 Cb -0.12 0.54 -0.25 0.00 -0.63 0.00 0.00 43.02 42.57 2aob s PHE 119 CO 0.05 -0.59 0.20 1.28 -0.05 0.00 0.00 175.22 176.11 2aob n LEU 120 N -0.27 0.00 -3.60 -1.99 4.77 -1.26 -0.21 117.00 114.44 2aob n LEU 120 Ca -0.10 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.72 2aob n LEU 120 Cb 0.62 0.26 -0.07 0.00 -2.33 0.00 0.00 43.42 41.91 2aob n LEU 120 CO 0.11 0.26 0.30 -1.66 -1.33 0.00 0.00 177.39 175.08 2aob s TRP 121 N -2.78 -0.50 -0.31 -1.77 1.48 -1.26 -4.88 118.94 108.92 2aob s TRP 121 Ca -0.08 0.83 -0.29 0.00 -1.06 0.00 0.00 56.10 55.49 2aob s TRP 121 Cb 0.08 0.31 -0.00 0.00 -1.16 0.00 0.00 33.47 32.70 2aob s TRP 121 CO 0.75 -0.55 1.35 0.08 -4.06 0.00 0.00 176.95 174.52 2aob s VAL 122 N -1.31 4.07 -0.76 -0.66 1.01 -1.26 -4.97 120.40 116.51 2aob s VAL 122 Ca -0.11 1.19 -0.22 0.00 0.00 0.00 0.00 61.98 62.84 2aob s VAL 122 Cb -0.02 -4.12 0.08 0.00 0.00 0.00 0.00 36.38 32.33 2aob s VAL 122 CO 0.07 -0.50 1.06 0.54 0.00 0.00 0.00 175.10 176.28 2aob s VAL 123 N 4.60 4.37 0.11 2.92 0.11 -1.26 -4.93 120.40 126.31 2aob s VAL 123 Ca 0.58 -0.67 -0.04 0.00 -2.93 0.00 0.00 61.98 58.92 2aob s VAL 123 Cb -0.17 -4.75 -0.03 0.00 -1.53 0.00 0.00 36.38 29.90 2aob s VAL 123 CO 0.25 -1.53 0.10 -0.54 -3.33 0.00 0.00 175.10 170.05 2aob s LYS 124 N 3.86 0.88 0.03 1.54 1.02 -1.26 -5.17 119.74 120.64 2aob s LYS 124 Ca 0.27 -1.24 0.03 0.00 0.02 0.00 0.00 55.97 55.05 2aob s LYS 124 Cb -0.12 0.28 -0.02 0.00 -0.52 0.00 0.00 37.83 37.45 2aob s LYS 124 CO 0.04 -0.26 -0.10 -0.06 -0.92 0.00 0.00 175.35 174.05 2aob s PHE 125 N -3.97 0.91 -0.54 3.18 0.40 -1.26 -5.03 117.98 111.68 2aob s PHE 125 Ca 0.15 -0.33 0.25 0.00 -0.60 0.00 0.00 56.93 56.39 2aob s PHE 125 Cb 0.06 -0.55 0.59 0.00 0.51 0.00 0.00 43.02 43.63 2aob s PHE 125 CO -0.04 -0.01 1.70 -0.91 0.70 0.00 0.00 175.22 176.66 2aob h ASN 126 N 5.06 0.00 -5.12 1.36 2.35 -2.02 -3.47 115.58 113.74 2aob h ASN 126 Ca -0.35 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.35 2aob h ASN 126 Cb 1.19 0.00 -0.12 0.00 0.05 0.00 0.00 38.32 39.44 2aob h ASN 126 CO 0.44 0.00 -0.08 -0.94 -1.65 0.00 0.00 177.43 175.20 2aob s SER 127 N -5.46 -0.18 0.42 5.81 1.04 -1.26 -5.03 113.70 109.03 2aob s SER 127 Ca 0.08 -0.50 0.09 0.00 0.48 0.00 0.00 55.95 56.10 2aob s SER 127 Cb 0.08 0.51 0.90 0.00 0.10 0.00 0.00 66.02 67.61 2aob s SER 127 CO 0.63 -0.94 2.04 -0.07 0.98 0.00 0.00 173.24 175.87 2aob h LEU 128 N 2.34 0.44 -0.39 2.42 4.07 -2.00 -2.67 115.31 119.52 2aob h LEU 128 Ca -0.31 -0.01 -0.10 0.00 0.08 0.00 0.00 57.88 57.54 2aob h LEU 128 Cb 1.25 -0.10 -0.01 0.00 1.08 0.00 0.00 40.66 42.88 2aob h LEU 128 CO 0.43 0.31 -0.13 -1.13 -1.08 0.00 0.00 178.44 176.84 2aob h ASN 129 N 0.52 0.79 -0.57 -0.43 -1.24 -1.99 0.73 115.58 113.39 2aob h ASN 129 Ca 0.18 -0.38 0.03 0.00 0.71 0.00 0.00 56.30 56.83 2aob h ASN 129 Cb 0.08 -0.22 -0.04 0.00 0.73 0.00 0.00 38.32 38.88 2aob h ASN 129 CO -0.04 1.00 0.34 -0.33 -1.29 0.00 0.00 177.43 177.11 2aob h GLU 130 N 0.59 0.66 -0.34 6.67 5.08 -1.94 -0.26 114.58 125.04 2aob h GLU 130 Ca 0.09 -0.04 0.04 0.00 -1.00 0.00 0.00 59.36 58.45 2aob h GLU 130 Cb 0.67 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.73 2aob h GLU 130 CO 0.05 0.44 0.11 1.25 -1.00 0.00 0.00 179.01 179.85 2aob h LEU 131 N 0.68 0.11 -0.51 1.33 6.46 -1.05 -2.10 115.31 120.24 2aob h LEU 131 Ca 0.23 0.04 0.02 0.00 -0.12 0.00 0.00 57.88 58.05 2aob h LEU 131 Cb 0.02 0.03 -0.03 0.00 -0.73 0.00 0.00 40.66 39.95 2aob h LEU 131 CO -0.10 0.10 0.31 0.58 -0.62 0.00 0.00 178.44 178.71 2aob h VAL 132 N 0.25 1.07 -0.63 1.05 2.07 -0.64 -2.65 116.25 116.77 2aob h VAL 132 Ca 0.16 -0.22 -0.00 0.00 0.82 0.00 0.00 66.70 67.46 2aob h VAL 132 Cb 0.14 0.39 -0.03 0.00 -1.52 0.00 0.00 31.29 30.27 2aob h VAL 132 CO -0.17 0.11 0.39 -0.78 0.02 0.00 0.00 177.57 177.14 2aob h ASP 133 N 0.63 0.75 -0.59 0.57 3.58 -0.76 -2.11 116.42 118.49 2aob h ASP 133 Ca 0.20 -0.05 0.01 0.00 0.42 0.00 0.00 57.03 57.61 2aob h ASP 133 Cb -0.01 -0.19 -0.03 0.00 1.72 0.00 0.00 39.33 40.82 2aob h ASP 133 CO -0.08 0.59 0.38 0.22 -2.88 0.00 0.00 179.24 177.47 2aob h TYR 134 N 0.86 0.71 -0.38 0.28 3.20 -1.12 -2.84 116.97 117.69 2aob h TYR 134 Ca 0.23 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.12 2aob h TYR 134 Cb -0.04 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 38.00 2aob h TYR 134 CO -0.02 0.44 0.00 0.72 -1.64 0.00 0.00 178.16 177.66 2aob n HIS 135 N -4.70 0.64 0.09 -3.82 8.25 -0.85 -2.46 115.22 112.37 2aob n HIS 135 Ca 0.04 -0.29 -0.06 0.00 -0.26 0.00 0.00 57.72 57.15 2aob n HIS 135 Cb 0.04 -0.06 0.06 0.00 1.12 0.00 0.00 29.99 31.15 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 2.27 0.19 -0.00 -0.41 3.08 -1.16 0.42 114.38 118.76 2aob h ARG 136 Ca 0.00 -0.17 0.00 0.00 0.07 0.00 0.00 59.98 59.88 2aob h ARG 136 Cb 0.67 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.76 2aob h ARG 136 CO 0.05 0.85 -0.16 -1.13 -1.07 0.00 0.00 179.97 178.51 2aob n SER 137 N -3.75 0.99 -4.25 7.04 3.41 -1.21 -4.41 113.62 111.43 2aob n SER 137 Ca -0.03 -0.99 -0.30 0.00 -0.26 0.00 0.00 58.87 57.29 2aob n SER 137 Cb 0.72 0.50 -0.16 0.00 -0.26 0.00 0.00 64.21 65.00 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 -1.15 1.93 0.40 6.66 2.01 -1.03 -5.08 115.64 119.38 2aob s THR 138 Ca 0.06 -1.01 -0.27 0.00 0.31 0.00 0.00 61.69 60.77 2aob s THR 138 Cb 0.06 -1.63 -0.10 0.00 0.01 0.00 0.00 72.50 70.84 2aob s THR 138 CO 0.19 0.54 1.48 -0.24 -0.69 0.00 0.00 174.62 175.90 2aob n SER 139 N 2.83 3.71 0.07 3.53 2.88 -1.26 -4.28 113.62 121.09 2aob n SER 139 Ca -0.17 1.20 0.13 0.00 -1.33 0.00 0.00 58.87 58.70 2aob n SER 139 Cb 0.52 -1.62 0.48 0.00 -0.75 0.00 0.00 64.21 62.83 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 0.25 0.38 -4.02 2.46 0.24 -0.23 -4.87 118.33 112.53 2aob n VAL 140 Ca 0.02 -0.18 -0.31 0.00 -2.04 0.00 0.00 64.34 61.83 2aob n VAL 140 Cb 0.40 -0.54 -0.06 0.00 -1.47 0.00 0.00 33.84 32.17 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 -3.97 5.78 0.00 -1.34 0.15 -1.26 -5.02 113.70 108.03 2aob s SER 141 Ca 0.12 0.09 0.26 0.00 0.70 0.00 0.00 55.95 57.12 2aob s SER 141 Cb 0.15 -1.64 0.71 0.00 -1.71 0.00 0.00 66.02 63.53 2aob s SER 141 CO 0.58 0.19 1.54 -2.11 1.20 0.00 0.00 173.24 174.64 2aob n ARG 142 N 0.52 0.36 0.00 5.44 1.85 -1.26 -4.30 116.66 119.27 2aob n ARG 142 Ca -0.08 -0.19 0.00 0.00 -1.00 0.00 0.00 57.85 56.57 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 -1.15 0.12 -4.26 2.89 2.04 -1.26 -5.09 115.26 108.55 2aob n ASN 143 Ca 0.09 -0.59 -0.14 0.00 -0.44 0.00 0.00 54.58 53.49 2aob n ASN 143 Cb 0.33 0.10 -0.10 0.00 -2.53 0.00 0.00 39.78 37.58 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 -0.10 1.10 -0.36 -3.83 -0.21 -1.26 -5.12 119.66 109.87 2aob s GLN 144 Ca 0.00 -1.48 -0.18 0.00 0.02 0.00 0.00 55.36 53.71 2aob s GLN 144 Cb 0.00 -0.59 0.00 0.00 1.00 0.00 0.00 33.01 33.42 2aob s GLN 144 CO 0.00 0.04 0.53 -0.65 -2.12 0.00 0.00 175.29 173.09 2aob s GLN 145 N -3.77 3.55 -0.18 2.91 -1.52 -1.26 -4.32 119.66 115.07 2aob s GLN 145 Ca 0.19 -0.21 -0.04 0.00 -1.95 0.00 0.00 55.36 53.34 2aob s GLN 145 Cb 0.03 -3.83 0.08 0.00 -0.22 0.00 0.00 33.01 29.07 2aob s GLN 145 CO 0.02 -0.70 0.20 0.42 -0.25 0.00 0.00 175.29 174.98 2aob s ILE 146 N 2.44 -0.29 -0.03 1.08 1.01 -1.26 -5.04 121.20 119.10 2aob s ILE 146 Ca 0.19 -0.03 -0.01 0.00 0.00 0.00 0.00 60.65 60.79 2aob s ILE 146 Cb -0.15 -0.60 -0.04 0.00 0.01 0.00 0.00 42.46 41.68 2aob s ILE 146 CO 0.14 -0.15 0.05 -0.36 0.00 0.00 0.00 174.94 174.62 2aob s PHE 147 N 2.30 3.24 0.00 3.97 0.40 -1.26 -1.07 117.98 125.57 2aob s PHE 147 Ca 0.05 0.21 -0.30 0.00 -0.60 0.00 0.00 56.93 56.29 2aob s PHE 147 Cb -0.15 -1.75 -0.07 0.00 0.51 0.00 0.00 43.02 41.56 2aob s PHE 147 CO -0.11 0.53 1.68 -0.51 0.70 0.00 0.00 175.22 177.52 2aob s LEU 148 N -1.43 4.35 0.15 -0.37 1.43 0.14 -4.98 118.68 117.97 2aob s LEU 148 Ca 0.19 2.37 0.09 0.00 -1.03 0.00 0.00 54.13 55.75 2aob s LEU 148 Cb -0.12 -3.54 -0.04 0.00 0.03 0.00 0.00 46.19 42.52 2aob s LEU 148 CO 0.09 -0.92 -0.20 -0.13 0.23 0.00 0.00 176.35 175.42 2aob s ARG 149 N 3.53 1.27 0.33 1.70 0.52 -1.26 -4.57 118.95 120.48 2aob s ARG 149 Ca 0.75 -1.35 -0.29 0.00 -0.52 0.00 0.00 55.73 54.33 2aob s ARG 149 Cb -0.37 -1.45 -0.10 0.00 0.52 0.00 0.00 34.95 33.55 2aob s ARG 149 CO 0.32 0.31 1.28 -0.51 0.02 0.00 0.00 175.30 176.72 2aob s ASP 150 N -2.40 6.80 0.00 0.23 1.01 -1.26 -5.21 116.67 115.83 2aob s ASP 150 Ca 0.14 2.64 0.00 0.00 0.71 0.00 0.00 52.55 56.03 2aob s ASP 150 Cb -0.08 -2.65 0.00 0.00 1.01 0.00 0.00 42.92 41.21 2aob s ASP 150 CO 0.06 -0.51 0.48 -0.38 0.21 0.00 0.00 175.17 175.04