#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aob n TRP 60 N 0.00 0.00 -3.12 0.54 4.27 -1.26 -4.90 117.44 112.97 2aob n TRP 60 Ca 0.00 0.00 -0.40 0.00 -3.89 0.00 0.00 57.50 53.21 2aob n TRP 60 Cb 0.00 -0.04 -0.06 0.00 -1.36 0.00 0.00 31.31 29.85 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 -2.57 3.32 -0.16 -2.67 5.36 -1.26 -1.71 117.98 118.29 2aob s PHE 61 Ca 0.18 0.85 0.14 0.00 -0.96 0.00 0.00 56.93 57.15 2aob s PHE 61 Cb 0.18 -2.81 0.40 0.00 -0.34 0.00 0.00 43.02 40.44 2aob s PHE 61 CO 0.60 -0.26 1.20 1.19 -1.46 0.00 0.00 175.22 176.49 2aob n PHE 62 N 5.42 0.00 -3.54 10.12 3.72 -0.59 -4.98 117.46 127.61 2aob n PHE 62 Ca -0.01 -1.21 0.00 0.00 -0.05 0.00 0.00 57.45 56.17 2aob n PHE 62 Cb 0.49 -0.21 0.00 0.00 -0.94 0.00 0.00 39.48 38.82 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 -0.81 1.71 2.37 1.37 0.00 -1.26 -4.03 105.19 104.54 2aob n GLY 63 Ca 0.16 -0.47 -0.26 0.00 0.00 0.00 0.00 46.02 45.45 2aob n GLY 63 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2aob n LYS 64 N 6.74 2.30 -1.98 1.61 -0.00 -1.26 -1.47 118.16 124.09 2aob n LYS 64 Ca 0.00 -2.29 -0.35 0.00 -0.00 0.00 0.00 58.31 55.67 2aob n LYS 64 Cb 0.00 -2.04 0.03 0.00 -0.00 0.00 0.00 35.03 33.02 2aob n LYS 64 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 2aob s ILE 65 N -2.56 2.93 0.38 0.58 1.01 -1.26 -4.84 121.20 117.45 2aob s ILE 65 Ca 0.53 0.53 0.01 0.00 0.00 0.00 0.00 60.65 61.72 2aob s ILE 65 Cb 0.36 -3.15 -0.02 0.00 0.01 0.00 0.00 42.46 39.67 2aob s ILE 65 CO -0.18 -0.17 0.58 -2.16 0.00 0.00 0.00 174.94 173.01 2aob s PRO 66 N -3.55 3.27 0.43 2.79 0.06 -1.26 -4.43 135.00 132.31 2aob s PRO 66 Ca 0.73 -0.49 0.30 0.00 0.06 0.00 0.00 61.00 61.60 2aob s PRO 66 Cb -0.26 -2.65 1.44 0.00 0.06 0.00 0.00 34.50 33.10 2aob s PRO 66 CO 0.34 -0.02 1.60 -0.09 0.06 0.00 0.00 177.00 178.89 2aob h ARG 67 N 0.64 0.05 -0.09 4.56 2.43 -1.98 -2.28 114.38 117.73 2aob h ARG 67 Ca -0.48 -0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 58.61 2aob h ARG 67 Cb 1.24 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.78 2aob h ARG 67 CO 0.59 0.03 -0.24 0.00 -1.51 0.00 0.00 179.97 178.84 2aob h ALA 68 N 1.64 0.15 0.00 2.80 0.00 -2.02 -3.11 119.26 118.72 2aob h ALA 68 Ca 0.85 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 55.36 2aob h ALA 68 Cb 2.63 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 20.40 2aob h ALA 68 CO -0.47 0.13 0.00 0.36 0.00 0.00 0.00 179.25 179.27 2aob n LYS 69 N -4.49 0.08 -0.02 0.00 0.00 -0.87 -3.08 118.16 109.77 2aob n LYS 69 Ca -0.08 0.17 -0.12 0.00 -0.00 0.00 0.00 58.31 58.28 2aob n LYS 69 Cb 0.45 -1.61 -0.06 0.00 -0.00 0.00 0.00 35.03 33.80 2aob n LYS 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2aob h ALA 70 N 2.67 0.14 -0.70 0.58 0.00 -1.45 -3.23 119.26 117.26 2aob h ALA 70 Ca 0.00 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 2aob h ALA 70 Cb 0.46 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 2aob h ALA 70 CO 0.00 -0.25 0.26 0.93 0.00 0.00 0.00 179.25 180.19 2aob h GLU 71 N -0.02 1.05 0.40 0.00 5.08 -1.57 -1.64 114.58 117.88 2aob h GLU 71 Ca 0.03 -0.19 -0.01 0.00 -1.00 0.00 0.00 59.36 58.20 2aob h GLU 71 Cb 0.22 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 2aob h GLU 71 CO -0.00 0.87 -0.33 0.93 -1.00 0.00 0.00 179.01 179.48 2aob h GLU 72 N 1.02 -0.70 -0.21 2.33 4.39 -1.62 0.63 114.58 120.43 2aob h GLU 72 Ca 0.23 0.05 0.05 0.00 0.34 0.00 0.00 59.36 60.03 2aob h GLU 72 Cb 0.23 0.16 -0.05 0.00 -0.10 0.00 0.00 28.75 28.99 2aob h GLU 72 CO -0.02 -0.47 -0.11 0.00 -1.16 0.00 0.00 179.01 177.26 2aob h MET 73 N -0.73 -0.09 -0.00 2.33 -0.00 -1.55 -3.11 114.93 111.78 2aob h MET 73 Ca -0.04 0.01 -0.09 0.00 -0.00 0.00 0.00 59.70 59.58 2aob h MET 73 Cb 0.63 0.02 -0.01 0.00 -0.00 0.00 0.00 31.60 32.24 2aob h MET 73 CO -0.01 -0.06 -0.44 -0.07 -0.00 0.00 0.00 176.91 176.33 2aob h LEU 74 N -0.09 0.00 -0.97 -0.10 3.38 -1.05 -2.92 115.31 113.56 2aob h LEU 74 Ca 0.11 -0.00 0.15 0.00 0.09 0.00 0.00 57.88 58.23 2aob h LEU 74 Cb 0.26 -0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.92 2aob h LEU 74 CO -0.26 0.44 0.58 0.28 0.09 0.00 0.00 178.44 179.57 2aob h SER 75 N 0.00 0.80 0.82 -0.43 0.02 0.35 -2.53 113.55 112.58 2aob h SER 75 Ca -0.00 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 2aob h SER 75 Cb 0.78 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.24 2aob h SER 75 CO 0.06 0.36 0.00 0.29 -1.14 0.00 0.00 176.83 176.40 2aob n LYS 76 N -4.72 0.11 -2.47 3.45 4.01 -1.10 -4.82 118.16 112.61 2aob n LYS 76 Ca 0.20 0.27 -0.37 0.00 -0.51 0.00 0.00 58.31 57.90 2aob n LYS 76 Cb 0.45 -1.68 -0.03 0.00 -0.51 0.00 0.00 35.03 33.25 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 -3.13 4.12 -0.01 1.97 -1.52 -0.96 -5.00 119.66 115.13 2aob s GLN 77 Ca 0.08 1.59 -0.03 0.00 -1.95 0.00 0.00 55.36 55.05 2aob s GLN 77 Cb 0.11 -2.57 -0.27 0.00 -0.22 0.00 0.00 33.01 30.06 2aob s GLN 77 CO 0.41 -0.20 0.79 0.07 -0.25 0.00 0.00 175.29 176.10 2aob h ARG 78 N 2.51 0.24 -5.71 2.91 0.11 -1.88 -3.47 114.38 109.09 2aob h ARG 78 Ca -0.48 -0.41 -0.58 0.00 0.10 0.00 0.00 59.98 58.60 2aob h ARG 78 Cb 1.22 0.15 -0.09 0.00 1.11 0.00 0.00 29.97 32.37 2aob h ARG 78 CO 0.62 1.09 -0.00 -1.01 0.10 0.00 0.00 179.97 180.77 2aob s HIS 79 N -2.61 3.45 0.24 4.08 3.76 -1.26 -5.03 115.29 117.91 2aob s HIS 79 Ca -0.10 0.93 -0.31 0.00 -0.15 0.00 0.00 55.06 55.43 2aob s HIS 79 Cb 0.07 -2.69 -0.14 0.00 1.11 0.00 0.00 32.58 30.92 2aob s HIS 79 CO 0.84 -0.01 1.26 -0.25 -0.85 0.00 0.00 174.74 175.73 2aob n ASP 80 N 4.37 2.11 0.00 1.40 9.92 -1.26 -1.71 116.55 131.37 2aob n ASP 80 Ca -0.04 1.15 0.00 0.00 -0.53 0.00 0.00 54.79 55.38 2aob n ASP 80 Cb 0.51 -1.35 0.00 0.00 -0.64 0.00 0.00 41.12 39.64 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 1.82 2.10 3.60 0.44 0.00 0.11 -4.99 105.19 108.28 2aob n GLY 81 Ca 0.12 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.59 -0.46 -2.75 4.61 0.00 -0.70 -4.66 120.51 114.98 2aob n ALA 82 Ca 0.00 0.48 -0.10 0.00 0.00 0.00 0.00 53.44 53.82 2aob n ALA 82 Cb 0.00 -2.11 -0.07 0.00 0.00 0.00 0.00 19.45 17.27 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 0.22 0.55 0.21 0.00 -0.12 -1.26 0.06 117.98 117.65 2aob s PHE 83 Ca 0.78 -0.89 -0.08 0.00 -0.05 0.00 0.00 56.93 56.69 2aob s PHE 83 Cb -0.86 -0.09 -0.02 0.00 -0.63 0.00 0.00 43.02 41.43 2aob s PHE 83 CO 0.48 -0.79 0.32 -0.48 -0.05 0.00 0.00 175.22 174.70 2aob s LEU 84 N -3.02 0.76 -0.05 -1.99 0.05 -0.61 -4.92 118.68 108.89 2aob s LEU 84 Ca 0.23 -1.04 0.03 0.00 0.05 0.00 0.00 54.13 53.41 2aob s LEU 84 Cb 0.03 1.20 0.00 0.00 -2.05 0.00 0.00 46.19 45.37 2aob s LEU 84 CO 0.05 -0.98 -0.14 -0.63 -0.55 0.00 0.00 176.35 174.10 2aob s ILE 85 N -4.04 1.23 0.40 1.48 1.01 -0.69 -1.17 121.20 119.42 2aob s ILE 85 Ca 0.25 -0.58 0.04 0.00 0.00 0.00 0.00 60.65 60.36 2aob s ILE 85 Cb 0.03 -1.08 -0.03 0.00 0.01 0.00 0.00 42.46 41.39 2aob s ILE 85 CO 0.07 0.36 0.12 0.00 0.00 0.00 0.00 174.94 175.50 2aob s ARG 86 N 0.25 1.89 0.19 2.79 1.70 -0.19 -1.55 118.95 124.04 2aob s ARG 86 Ca -0.07 -2.14 0.06 0.00 -0.47 0.00 0.00 55.73 53.11 2aob s ARG 86 Cb -0.12 -0.63 -0.04 0.00 -0.57 0.00 0.00 34.95 33.59 2aob s ARG 86 CO 0.02 -0.45 0.13 -2.00 -1.08 0.00 0.00 175.30 171.93 2aob s GLU 87 N -3.74 2.82 0.17 3.89 2.56 -0.54 -1.17 118.70 122.69 2aob s GLU 87 Ca 0.25 -0.97 -0.30 0.00 0.00 0.00 0.00 54.97 53.95 2aob s GLU 87 Cb 0.03 -2.57 -0.08 0.00 2.00 0.00 0.00 34.13 33.51 2aob s GLU 87 CO 0.15 0.45 1.29 0.45 -0.56 0.00 0.00 175.26 177.04 2aob s SER 88 N -3.30 6.94 0.50 -1.70 0.15 0.40 -4.60 113.70 112.08 2aob s SER 88 Ca 0.31 2.33 0.29 0.00 0.70 0.00 0.00 55.95 59.58 2aob s SER 88 Cb -0.09 -2.60 1.04 0.00 -1.71 0.00 0.00 66.02 62.66 2aob s SER 88 CO 0.23 -0.51 1.86 1.05 1.20 0.00 0.00 173.24 177.07 2aob h GLU 89 N 5.68 0.00 0.00 5.44 4.11 -1.88 -3.33 114.58 124.60 2aob h GLU 89 Ca -0.44 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 58.96 2aob h GLU 89 Cb 1.21 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.46 2aob h GLU 89 CO 0.78 0.06 -1.09 -1.13 0.07 0.00 0.00 179.01 177.70 2aob n SER 90 N -3.16 0.92 -4.54 3.06 3.41 -1.26 -4.91 113.62 107.15 2aob n SER 90 Ca 0.01 0.01 -0.41 0.00 -0.26 0.00 0.00 58.87 58.22 2aob n SER 90 Cb 0.39 -0.04 -0.01 0.00 -0.26 0.00 0.00 64.21 64.28 2aob n SER 90 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2aob n ALA 91 N -2.96 3.42 -1.64 7.33 0.00 -1.25 -4.98 120.51 120.43 2aob n ALA 91 Ca -0.03 -3.75 -0.44 0.00 0.00 0.00 0.00 53.44 49.22 2aob n ALA 91 Cb 0.53 -3.59 -0.02 0.00 0.00 0.00 0.00 19.45 16.37 2aob n ALA 91 CO 0.00 0.00 0.00 -3.68 0.00 0.00 0.00 177.50 173.82 2aob n PRO 92 N 8.29 1.72 -0.59 0.00 -0.08 -1.26 -3.18 135.00 139.90 2aob n PRO 92 Ca 0.49 0.60 0.00 0.00 -0.08 0.00 0.00 63.50 64.51 2aob n PRO 92 Cb 0.46 -2.11 0.00 0.00 -0.08 0.00 0.00 33.50 31.77 2aob n PRO 92 CO 0.00 0.00 0.00 0.41 -0.08 0.00 0.00 175.50 175.83 2aob n GLY 93 N 1.29 0.77 3.39 1.68 0.00 -1.26 -5.02 105.19 106.03 2aob n GLY 93 Ca 0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.76 2aob n GLY 93 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2aob s ASP 94 N -2.67 4.62 0.07 1.61 2.15 -1.19 -5.02 116.67 116.24 2aob s ASP 94 Ca 0.00 -0.28 0.05 0.00 0.43 0.00 0.00 52.55 52.75 2aob s ASP 94 Cb 0.00 -1.79 -0.04 0.00 -0.30 0.00 0.00 42.92 40.79 2aob s ASP 94 CO 0.00 0.02 -0.05 -0.36 -0.17 0.00 0.00 175.17 174.61 2aob s PHE 95 N 1.24 2.88 0.13 -5.34 0.08 -1.26 -0.45 117.98 115.25 2aob s PHE 95 Ca 0.03 -0.07 0.06 0.00 0.12 0.00 0.00 56.93 57.07 2aob s PHE 95 Cb -0.15 -1.52 -0.04 0.00 -0.57 0.00 0.00 43.02 40.75 2aob s PHE 95 CO 0.00 0.44 -0.15 -1.12 -0.10 0.00 0.00 175.22 174.29 2aob s SER 96 N -2.06 2.12 -0.09 1.36 0.01 -0.32 -0.62 113.70 114.11 2aob s SER 96 Ca 0.22 -0.83 0.05 0.00 1.31 0.00 0.00 55.95 56.70 2aob s SER 96 Cb -0.11 -0.08 -0.00 0.00 0.21 0.00 0.00 66.02 66.03 2aob s SER 96 CO 0.14 -0.13 -0.24 -0.22 0.41 0.00 0.00 173.24 173.20 2aob s LEU 97 N -2.52 2.06 -0.07 2.44 2.96 -0.12 -1.02 118.68 122.41 2aob s LEU 97 Ca 0.11 -0.53 0.04 0.00 -0.22 0.00 0.00 54.13 53.53 2aob s LEU 97 Cb -0.05 -1.36 -0.00 0.00 0.50 0.00 0.00 46.19 45.28 2aob s LEU 97 CO 0.04 0.18 -0.21 -0.44 -1.32 0.00 0.00 176.35 174.59 2aob s SER 98 N 0.20 2.68 -0.02 3.68 0.01 -0.31 -0.25 113.70 119.69 2aob s SER 98 Ca -0.14 -0.46 0.01 0.00 1.31 0.00 0.00 55.95 56.66 2aob s SER 98 Cb -0.17 -1.00 0.02 0.00 0.21 0.00 0.00 66.02 65.09 2aob s SER 98 CO 0.07 0.16 -0.01 -0.69 0.41 0.00 0.00 173.24 173.19 2aob s VAL 99 N 0.19 0.18 0.14 3.43 1.01 -0.14 -1.58 120.40 123.64 2aob s VAL 99 Ca -0.11 0.03 -0.31 0.00 0.00 0.00 0.00 61.98 61.59 2aob s VAL 99 Cb -0.15 -0.24 -0.09 0.00 0.00 0.00 0.00 36.38 35.90 2aob s VAL 99 CO 0.05 0.12 1.48 -1.59 0.00 0.00 0.00 175.10 175.16 2aob s LYS 100 N 0.70 4.27 -0.16 2.72 0.00 0.11 -1.04 119.74 126.34 2aob s LYS 100 Ca -0.07 2.23 -0.04 0.00 0.00 0.00 0.00 55.97 58.08 2aob s LYS 100 Cb -0.10 -3.20 0.07 0.00 0.00 0.00 0.00 37.83 34.60 2aob s LYS 100 CO -0.01 -0.52 0.14 0.12 0.00 0.00 0.00 175.35 175.08 2aob s PHE 101 N 1.09 -0.03 0.00 1.78 5.36 -0.30 0.07 117.98 125.95 2aob s PHE 101 Ca 0.67 0.05 0.00 0.00 -0.96 0.00 0.00 56.93 56.69 2aob s PHE 101 Cb -0.40 -0.50 0.00 0.00 -0.34 0.00 0.00 43.02 41.78 2aob s PHE 101 CO 0.31 -0.48 0.00 0.41 -1.46 0.00 0.00 175.22 174.00 2aob n GLY 102 N 5.30 3.36 0.22 13.12 0.00 -1.26 -1.46 105.19 124.47 2aob n GLY 102 Ca -0.06 -0.08 0.14 0.00 0.00 0.00 0.00 46.02 46.03 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 4.02 0.77 -4.71 1.61 0.23 -1.26 -4.92 115.26 111.00 2aob n ASN 103 Ca 0.00 -0.95 -0.24 0.00 -0.53 0.00 0.00 54.58 52.86 2aob n ASN 103 Cb 0.00 -0.01 -0.07 0.00 -2.08 0.00 0.00 39.78 37.62 2aob n ASN 103 CO 0.00 0.00 0.00 -1.81 -0.93 0.00 0.00 177.26 174.52 2aob s ASP 104 N -2.27 4.48 -0.09 0.53 1.11 -0.53 -5.03 116.67 114.87 2aob s ASP 104 Ca 0.34 -0.91 0.04 0.00 0.18 0.00 0.00 52.55 52.19 2aob s ASP 104 Cb 0.20 -0.61 0.00 0.00 1.07 0.00 0.00 42.92 43.59 2aob s ASP 104 CO 0.43 -0.35 -0.22 -0.69 1.18 0.00 0.00 175.17 175.52 2aob s VAL 105 N -2.50 1.87 0.00 -1.27 1.01 -1.26 -1.15 120.40 117.11 2aob s VAL 105 Ca 0.38 -0.92 -0.01 0.00 0.00 0.00 0.00 61.98 61.43 2aob s VAL 105 Cb -0.00 -1.62 -0.04 0.00 0.00 0.00 0.00 36.38 34.72 2aob s VAL 105 CO 0.22 0.52 0.13 -1.10 0.00 0.00 0.00 175.10 174.86 2aob s GLN 106 N 0.32 3.22 -0.10 2.72 -0.21 -0.21 -4.91 119.66 120.50 2aob s GLN 106 Ca -0.16 -0.44 0.01 0.00 0.02 0.00 0.00 55.36 54.79 2aob s GLN 106 Cb -0.17 -2.95 0.02 0.00 1.00 0.00 0.00 33.01 30.91 2aob s GLN 106 CO 0.07 0.65 -0.11 -1.01 -2.12 0.00 0.00 175.29 172.77 2aob s HIS 107 N -1.28 1.59 -0.05 0.91 3.76 -1.26 -0.96 115.29 118.00 2aob s HIS 107 Ca 0.26 -0.74 0.04 0.00 -0.15 0.00 0.00 55.06 54.47 2aob s HIS 107 Cb -0.12 -1.23 -0.03 0.00 1.11 0.00 0.00 32.58 32.31 2aob s HIS 107 CO 0.17 -0.44 -0.15 -0.06 -0.85 0.00 0.00 174.74 173.41 2aob s PHE 108 N 1.26 2.68 0.06 1.40 0.08 0.65 -4.97 117.98 119.14 2aob s PHE 108 Ca -0.03 -0.19 -0.25 0.00 0.12 0.00 0.00 56.93 56.58 2aob s PHE 108 Cb -0.14 -1.63 -0.06 0.00 -0.57 0.00 0.00 43.02 40.63 2aob s PHE 108 CO -0.04 0.16 0.78 0.21 -0.10 0.00 0.00 175.22 176.23 2aob s LYS 109 N -0.69 4.51 -0.52 0.44 2.47 -1.26 -0.94 119.74 123.75 2aob s LYS 109 Ca 0.11 1.09 -0.25 0.00 -1.56 0.00 0.00 55.97 55.36 2aob s LYS 109 Cb -0.11 -3.35 0.03 0.00 -1.46 0.00 0.00 37.83 32.94 2aob s LYS 109 CO 0.01 0.31 0.97 0.08 0.16 0.00 0.00 175.35 176.87 2aob s VAL 110 N -0.15 4.37 0.46 4.02 1.01 0.21 -4.72 120.40 125.60 2aob s VAL 110 Ca 0.39 0.52 -0.20 0.00 0.00 0.00 0.00 61.98 62.68 2aob s VAL 110 Cb -0.21 -4.53 -0.10 0.00 0.00 0.00 0.00 36.38 31.55 2aob s VAL 110 CO 0.24 -1.04 1.00 -0.76 0.00 0.00 0.00 175.10 174.53 2aob s LEU 111 N 4.00 3.88 -0.12 3.92 1.43 0.48 -4.50 118.68 127.76 2aob s LEU 111 Ca 0.34 1.81 0.01 0.00 -1.03 0.00 0.00 54.13 55.26 2aob s LEU 111 Cb -0.11 -4.55 0.02 0.00 0.03 0.00 0.00 46.19 41.58 2aob s LEU 111 CO 0.22 -0.59 -0.13 -0.13 0.23 0.00 0.00 176.35 175.95 2aob s ARG 112 N -3.24 2.11 0.35 1.70 1.81 -1.26 -1.26 118.95 119.15 2aob s ARG 112 Ca 0.65 -0.50 -0.01 0.00 -1.72 0.00 0.00 55.73 54.14 2aob s ARG 112 Cb -0.13 -1.89 0.07 0.00 -0.45 0.00 0.00 34.95 32.56 2aob s ARG 112 CO 0.17 -0.15 0.48 -0.40 -0.68 0.00 0.00 175.30 174.72 2aob n ASP 113 N 4.49 0.56 0.03 0.23 5.68 -0.53 -4.92 116.55 122.10 2aob n ASP 113 Ca -0.17 -1.49 0.09 0.00 -0.50 0.00 0.00 54.79 52.72 2aob n ASP 113 Cb 0.51 -0.32 0.40 0.00 -1.14 0.00 0.00 41.12 40.57 2aob n ASP 113 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2aob n GLY 114 N 1.41 -1.16 0.85 6.12 0.00 -1.26 -1.39 105.19 109.75 2aob n GLY 114 Ca 0.08 -0.03 0.11 0.00 0.00 0.00 0.00 46.02 46.18 2aob n GLY 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aob n ALA 115 N -1.57 2.48 -1.02 4.61 0.00 -1.26 -4.96 120.51 118.79 2aob n ALA 115 Ca 0.04 -0.73 -0.01 0.00 0.00 0.00 0.00 53.44 52.74 2aob n ALA 115 Cb 0.22 -0.97 -0.00 0.00 0.00 0.00 0.00 19.45 18.69 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 1.32 0.45 3.79 0.00 0.00 -0.49 -5.03 105.19 105.23 2aob n GLY 116 Ca 0.17 -0.15 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 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 3.40 0.03 1.61 3.01 -1.26 -4.78 119.74 121.09 2aob s LYS 117 Ca 0.00 1.41 0.03 0.00 -1.01 0.00 0.00 55.97 56.40 2aob s LYS 117 Cb 0.00 -2.03 -0.04 0.00 -1.01 0.00 0.00 37.83 34.75 2aob s LYS 117 CO 0.00 -0.77 -0.01 0.71 0.51 0.00 0.00 175.35 175.78 2aob s TYR 118 N -2.07 3.01 -0.01 3.18 2.02 -1.26 -1.45 117.35 120.77 2aob s TYR 118 Ca 0.68 0.02 -0.29 0.00 -0.37 0.00 0.00 57.07 57.12 2aob s TYR 118 Cb -0.19 -1.61 0.08 0.00 -0.40 0.00 0.00 41.96 39.84 2aob s TYR 118 CO 0.29 0.45 0.73 -0.59 -1.57 0.00 0.00 175.55 174.86 2aob s PHE 119 N -1.15 -0.55 -0.25 2.71 -0.12 -0.39 -5.00 117.98 113.22 2aob s PHE 119 Ca 0.21 0.74 0.04 0.00 -0.05 0.00 0.00 56.93 57.87 2aob s PHE 119 Cb -0.11 0.47 -0.18 0.00 -0.63 0.00 0.00 43.02 42.57 2aob s PHE 119 CO 0.13 -0.63 -0.20 1.28 -0.05 0.00 0.00 175.22 175.75 2aob n LEU 120 N 0.42 2.68 -4.22 -1.99 4.77 -1.26 -0.39 117.00 117.01 2aob n LEU 120 Ca -0.16 -0.13 -0.17 0.00 -0.03 0.00 0.00 56.01 55.53 2aob n LEU 120 Cb 0.60 -0.77 -0.11 0.00 -2.33 0.00 0.00 43.42 40.81 2aob n LEU 120 CO 0.18 0.89 -0.44 0.26 -1.33 0.00 0.00 177.39 176.96 2aob s TRP 121 N -2.51 1.28 -0.57 -1.77 0.52 -1.26 -4.89 118.94 109.74 2aob s TRP 121 Ca -0.32 -0.58 -0.18 0.00 0.02 0.00 0.00 56.10 55.03 2aob s TRP 121 Cb 0.09 -0.68 0.10 0.00 -1.15 0.00 0.00 33.47 31.83 2aob s TRP 121 CO 0.62 0.09 0.64 0.08 0.02 0.00 0.00 176.95 178.40 2aob s VAL 122 N -2.20 4.92 -1.32 4.03 1.01 -1.26 -4.99 120.40 120.59 2aob s VAL 122 Ca 0.07 -1.02 -0.14 0.00 0.00 0.00 0.00 61.98 60.89 2aob s VAL 122 Cb -0.04 -4.42 0.10 0.00 0.00 0.00 0.00 36.38 32.02 2aob s VAL 122 CO 0.02 -1.01 1.83 0.52 0.00 0.00 0.00 175.10 176.46 2aob n VAL 123 N 5.48 3.97 -3.97 2.92 0.31 -1.26 -4.88 118.33 120.90 2aob n VAL 123 Ca -0.10 -4.02 -0.09 0.00 -0.01 0.00 0.00 64.34 60.13 2aob n VAL 123 Cb 0.42 -2.45 -0.10 0.00 -0.91 0.00 0.00 33.84 30.81 2aob n VAL 123 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2aob s LYS 124 N 2.61 0.54 0.04 5.55 1.02 -1.26 -5.17 119.74 123.06 2aob s LYS 124 Ca 0.47 -0.82 0.05 0.00 0.02 0.00 0.00 55.97 55.69 2aob s LYS 124 Cb 0.06 0.20 -0.02 0.00 -0.52 0.00 0.00 37.83 37.55 2aob s LYS 124 CO 0.00 -0.12 -0.15 -0.06 -0.92 0.00 0.00 175.35 174.10 2aob s PHE 125 N -2.65 1.31 -1.01 3.18 0.08 -1.26 -5.04 117.98 112.59 2aob s PHE 125 Ca -0.05 -0.35 0.29 0.00 0.12 0.00 0.00 56.93 56.94 2aob s PHE 125 Cb -0.01 -0.78 1.24 0.00 -0.57 0.00 0.00 43.02 42.90 2aob s PHE 125 CO -0.05 0.04 1.93 -1.71 -0.10 0.00 0.00 175.22 175.33 2aob n ASN 126 N 1.91 0.01 -3.74 1.36 5.15 -1.26 -4.89 115.26 113.79 2aob n ASN 126 Ca -0.18 0.48 -0.12 0.00 -0.60 0.00 0.00 54.58 54.16 2aob n ASN 126 Cb 0.54 -0.49 -0.07 0.00 -0.53 0.00 0.00 39.78 39.24 2aob n ASN 126 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 2aob s SER 127 N -2.99 -0.15 0.27 1.20 1.04 -1.26 -5.03 113.70 106.78 2aob s SER 127 Ca 0.14 -0.14 -0.03 0.00 0.48 0.00 0.00 55.95 56.41 2aob s SER 127 Cb 0.19 0.36 0.40 0.00 0.10 0.00 0.00 66.02 67.07 2aob s SER 127 CO 0.53 -0.61 1.91 -0.07 0.98 0.00 0.00 173.24 175.98 2aob h LEU 128 N 3.25 1.04 -0.78 2.42 4.07 -1.99 -1.98 115.31 121.33 2aob h LEU 128 Ca -0.31 -0.00 -0.11 0.00 0.08 0.00 0.00 57.88 57.53 2aob h LEU 128 Cb 1.20 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 42.70 2aob h LEU 128 CO 0.45 0.69 -0.30 -1.13 -1.08 0.00 0.00 178.44 177.07 2aob h ASN 129 N 1.19 0.59 -0.41 -0.43 -0.73 -1.99 0.42 115.58 114.23 2aob h ASN 129 Ca 0.40 -0.23 -0.07 0.00 1.87 0.00 0.00 56.30 58.27 2aob h ASN 129 Cb 0.07 -0.16 -0.01 0.00 0.27 0.00 0.00 38.32 38.48 2aob h ASN 129 CO -0.14 0.87 -0.03 -0.33 -0.37 0.00 0.00 177.43 177.43 2aob h GLU 130 N 0.50 0.75 -0.43 6.67 5.08 -1.91 -1.84 114.58 123.39 2aob h GLU 130 Ca 0.06 -0.25 0.06 0.00 -1.00 0.00 0.00 59.36 58.23 2aob h GLU 130 Cb 0.78 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.91 2aob h GLU 130 CO 0.06 0.84 0.14 1.25 -1.00 0.00 0.00 179.01 180.30 2aob h LEU 131 N 0.57 0.12 -0.26 1.33 6.46 -1.00 -2.37 115.31 120.17 2aob h LEU 131 Ca 0.11 0.06 0.03 0.00 -0.12 0.00 0.00 57.88 57.96 2aob h LEU 131 Cb 0.53 0.05 -0.03 0.00 -0.73 0.00 0.00 40.66 40.48 2aob h LEU 131 CO 0.03 0.10 0.07 0.58 -0.62 0.00 0.00 178.44 178.60 2aob h VAL 132 N 0.29 0.91 -0.55 1.05 2.07 -0.69 -1.94 116.25 117.39 2aob h VAL 132 Ca 0.21 -0.06 -0.04 0.00 0.82 0.00 0.00 66.70 67.62 2aob h VAL 132 Cb 0.21 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 30.67 2aob h VAL 132 CO -0.22 0.03 0.17 0.44 0.02 0.00 0.00 177.57 178.01 2aob h ASP 133 N 0.17 0.75 -0.31 0.57 3.32 -1.10 -1.31 116.42 118.52 2aob h ASP 133 Ca 0.12 -0.12 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 2aob h ASP 133 Cb 0.10 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 2aob h ASP 133 CO -0.14 0.71 0.18 0.22 -1.72 0.00 0.00 179.24 178.50 2aob h TYR 134 N 0.80 0.42 -0.00 4.55 3.20 -1.11 -2.84 116.97 121.98 2aob h TYR 134 Ca 0.18 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.05 2aob h TYR 134 Cb 0.23 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.37 2aob h TYR 134 CO 0.01 0.33 0.00 0.72 -1.64 0.00 0.00 178.16 177.58 2aob n HIS 135 N -4.82 0.00 0.07 -3.82 8.25 -0.56 -2.05 115.22 112.30 2aob n HIS 135 Ca -0.01 -0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.51 2aob n HIS 135 Cb 0.07 0.00 0.50 0.00 1.12 0.00 0.00 29.99 31.67 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 0.32 0.36 0.00 -0.41 3.08 -1.13 0.45 114.38 117.04 2aob h ARG 136 Ca 0.00 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.03 2aob h ARG 136 Cb 0.07 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.04 2aob h ARG 136 CO 0.00 0.24 -1.06 0.43 -1.07 0.00 0.00 179.97 178.51 2aob n SER 137 N -4.49 2.68 -4.18 7.04 7.64 -0.90 -4.32 113.62 117.08 2aob n SER 137 Ca 0.02 -0.16 -0.30 0.00 1.01 0.00 0.00 58.87 59.43 2aob n SER 137 Cb 0.09 1.23 -0.17 0.00 -1.01 0.00 0.00 64.21 64.36 2aob n SER 137 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2aob s THR 138 N -2.25 1.86 0.32 0.44 2.01 -0.87 -5.08 115.64 112.07 2aob s THR 138 Ca -0.01 -0.91 -0.27 0.00 0.31 0.00 0.00 61.69 60.81 2aob s THR 138 Cb 0.04 -1.61 -0.13 0.00 0.01 0.00 0.00 72.50 70.81 2aob s THR 138 CO 0.28 0.52 0.98 -0.24 -0.69 0.00 0.00 174.62 175.46 2aob n SER 139 N 3.50 1.17 0.19 3.53 2.88 -1.26 -4.29 113.62 119.35 2aob n SER 139 Ca -0.20 1.13 0.14 0.00 -1.33 0.00 0.00 58.87 58.62 2aob n SER 139 Cb 0.53 -1.29 0.54 0.00 -0.75 0.00 0.00 64.21 63.23 2aob n SER 139 CO 0.00 0.00 0.00 -0.37 -1.23 0.00 0.00 175.04 173.44 2aob h VAL 140 N 1.83 0.00 -3.01 2.46 -1.51 -1.57 -3.45 116.25 111.00 2aob h VAL 140 Ca -0.41 -0.42 -0.66 0.00 -1.23 0.00 0.00 66.70 63.97 2aob h VAL 140 Cb 1.34 1.31 -0.10 0.00 -2.13 0.00 0.00 31.29 31.71 2aob h VAL 140 CO 0.59 0.00 -0.56 -0.55 -1.23 0.00 0.00 177.57 175.83 2aob s SER 141 N -4.99 5.80 0.15 4.19 0.15 -1.26 -5.04 113.70 112.70 2aob s SER 141 Ca 0.04 0.25 -0.17 0.00 0.70 0.00 0.00 55.95 56.77 2aob s SER 141 Cb 0.09 -1.73 0.06 0.00 -1.71 0.00 0.00 66.02 62.73 2aob s SER 141 CO 0.49 0.34 1.73 0.03 1.20 0.00 0.00 173.24 177.03 2aob h ARG 142 N 4.60 0.18 0.00 5.44 3.08 -2.00 -3.40 114.38 122.27 2aob h ARG 142 Ca -0.51 -0.01 -0.24 0.00 0.07 0.00 0.00 59.98 59.29 2aob h ARG 142 Cb 1.20 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 31.17 2aob h ARG 142 CO 0.59 0.12 -1.82 0.09 -1.07 0.00 0.00 179.97 177.88 2aob n ASN 143 N -5.09 1.63 -4.81 7.04 3.02 -1.26 -4.99 115.26 110.79 2aob n ASN 143 Ca 0.01 0.10 -0.31 0.00 -0.03 0.00 0.00 54.58 54.35 2aob n ASN 143 Cb 0.15 -0.37 0.05 0.00 -0.61 0.00 0.00 39.78 39.00 2aob n ASN 143 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2aob s GLN 144 N -2.28 2.94 -0.54 3.52 1.11 -1.26 -5.02 119.66 118.13 2aob s GLN 144 Ca -0.20 1.01 -0.06 0.00 0.01 0.00 0.00 55.36 56.12 2aob s GLN 144 Cb 0.07 -1.99 0.14 0.00 -1.01 0.00 0.00 33.01 30.22 2aob s GLN 144 CO 0.28 -1.10 0.39 -0.65 0.01 0.00 0.00 175.29 174.22 2aob s GLN 145 N -4.88 2.51 -0.14 2.91 -0.21 -1.26 -4.36 119.66 114.23 2aob s GLN 145 Ca 0.59 -2.09 -0.01 0.00 0.02 0.00 0.00 55.36 53.87 2aob s GLN 145 Cb -0.15 -3.84 0.04 0.00 1.00 0.00 0.00 33.01 30.06 2aob s GLN 145 CO 0.52 -1.17 -0.01 0.42 -2.12 0.00 0.00 175.29 172.93 2aob s ILE 146 N 0.75 0.71 -0.10 1.08 1.01 -1.26 -5.07 121.20 118.33 2aob s ILE 146 Ca 0.11 -0.34 0.04 0.00 0.00 0.00 0.00 60.65 60.46 2aob s ILE 146 Cb -0.22 -0.96 -0.01 0.00 0.01 0.00 0.00 42.46 41.29 2aob s ILE 146 CO -0.03 0.10 -0.22 -0.36 0.00 0.00 0.00 174.94 174.43 2aob s PHE 147 N 1.81 2.59 0.36 3.97 0.08 -1.26 -1.61 117.98 123.92 2aob s PHE 147 Ca 0.02 -0.88 -0.27 0.00 0.12 0.00 0.00 56.93 55.91 2aob s PHE 147 Cb -0.15 -1.71 -0.09 0.00 -0.57 0.00 0.00 43.02 40.50 2aob s PHE 147 CO -0.07 -0.32 1.28 -0.51 -0.10 0.00 0.00 175.22 175.50 2aob s LEU 148 N 0.22 4.33 -0.11 -0.37 1.43 0.15 -4.95 118.68 119.37 2aob s LEU 148 Ca -0.14 2.62 -0.08 0.00 -1.03 0.00 0.00 54.13 55.51 2aob s LEU 148 Cb -0.17 -3.78 0.04 0.00 0.03 0.00 0.00 46.19 42.31 2aob s LEU 148 CO 0.07 -0.65 0.29 -0.13 0.23 0.00 0.00 176.35 176.16 2aob s ARG 149 N -2.00 0.30 0.44 1.70 1.81 -1.26 -4.39 118.95 115.55 2aob s ARG 149 Ca 0.52 0.48 -0.23 0.00 -1.72 0.00 0.00 55.73 54.79 2aob s ARG 149 Cb -0.38 0.05 -0.08 0.00 -0.45 0.00 0.00 34.95 34.09 2aob s ARG 149 CO 0.49 -0.09 1.10 0.16 -0.68 0.00 0.00 175.30 176.29 2aob s ASP 150 N 0.65 6.40 0.00 0.23 -4.77 -1.26 -5.19 116.67 112.73 2aob s ASP 150 Ca -0.04 2.15 0.00 0.00 -3.30 0.00 0.00 52.55 51.36 2aob s ASP 150 Cb -0.05 -2.59 0.00 0.00 -1.09 0.00 0.00 42.92 39.19 2aob s ASP 150 CO -0.04 -0.75 0.16 -0.38 0.70 0.00 0.00 175.17 174.86