#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yai n ASP 2 N 0.00 0.76 -4.18 2.61 8.00 -1.26 -4.82 116.55 117.66 1yai n ASP 2 Ca 0.00 -1.64 -0.23 0.00 0.71 0.00 0.00 54.79 53.63 1yai n ASP 2 Cb 0.00 -0.37 -0.14 0.00 -0.02 0.00 0.00 41.12 40.59 1yai n ASP 2 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1yai s LEU 3 N 0.00 2.14 -0.08 0.64 2.96 -0.04 -4.96 118.68 119.34 1yai s LEU 3 Ca 0.38 -0.44 0.03 0.00 -0.22 0.00 0.00 54.13 53.88 1yai s LEU 3 Cb -0.02 -0.78 -0.02 0.00 0.50 0.00 0.00 46.19 45.87 1yai s LEU 3 CO 0.25 0.11 -0.16 -0.89 -1.32 0.00 0.00 176.35 174.34 1yai s THR 4 N -0.72 2.82 -0.07 3.68 2.01 -1.26 -0.16 115.64 121.94 1yai s THR 4 Ca 0.05 -0.78 0.04 0.00 0.31 0.00 0.00 61.69 61.30 1yai s THR 4 Cb -0.08 -2.12 0.00 0.00 0.01 0.00 0.00 72.50 70.31 1yai s THR 4 CO 0.01 0.56 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.62 1yai s VAL 5 N -0.19 1.66 -0.05 3.82 1.01 0.54 -4.79 120.40 122.40 1yai s VAL 5 Ca -0.01 -0.81 -0.21 0.00 0.00 0.00 0.00 61.98 60.95 1yai s VAL 5 Cb -0.13 -1.44 -0.04 0.00 0.00 0.00 0.00 36.38 34.76 1yai s VAL 5 CO 0.03 0.47 0.62 -0.54 0.00 0.00 0.00 175.10 175.68 1yai s LYS 6 N 0.25 4.38 -0.09 2.72 1.02 -1.26 -0.45 119.74 126.31 1yai s LYS 6 Ca -0.11 0.74 -0.03 0.00 0.02 0.00 0.00 55.97 56.59 1yai s LYS 6 Cb -0.15 -3.41 -0.03 0.00 -0.52 0.00 0.00 37.83 33.72 1yai s LYS 6 CO 0.05 0.20 0.03 -1.64 -0.92 0.00 0.00 175.35 173.07 1yai s MET 7 N 0.39 3.07 -0.03 1.68 -1.94 -0.46 -4.41 119.30 117.61 1yai s MET 7 Ca 0.33 -0.35 0.05 0.00 -1.71 0.00 0.00 55.69 54.00 1yai s MET 7 Cb -0.17 -2.87 -0.01 0.00 2.01 0.00 0.00 34.83 33.78 1yai s MET 7 CO 0.16 0.72 -0.17 0.99 -0.01 0.00 0.00 175.02 176.71 1yai s THR 8 N -0.92 1.39 -0.09 2.05 2.01 -0.05 -1.54 115.64 118.48 1yai s THR 8 Ca 0.14 -0.73 -0.30 0.00 0.31 0.00 0.00 61.69 61.12 1yai s THR 8 Cb -0.11 -1.18 -0.04 0.00 0.01 0.00 0.00 72.50 71.18 1yai s THR 8 CO 0.03 0.40 1.39 -0.62 -0.69 0.00 0.00 174.62 175.13 1yai s ASP 9 N -0.19 6.86 0.38 3.53 -1.08 0.41 -0.94 116.67 125.64 1yai s ASP 9 Ca 0.02 1.94 0.19 0.00 -0.52 0.00 0.00 52.55 54.17 1yai s ASP 9 Cb -0.09 -2.54 0.74 0.00 -1.46 0.00 0.00 42.92 39.57 1yai s ASP 9 CO 0.01 -0.78 1.77 -0.07 0.52 0.00 0.00 175.17 176.61 1yai h LEU 10 N 9.45 0.00 0.01 -1.34 4.07 -1.30 0.34 115.31 126.54 1yai h LEU 10 Ca -0.33 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 57.60 1yai h LEU 10 Cb 1.14 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.89 1yai h LEU 10 CO 0.94 0.36 -0.11 -0.61 -1.08 0.00 0.00 178.44 177.94 1yai h GLN 11 N 0.00 0.06 0.00 1.13 4.15 -1.90 -3.38 115.11 115.17 1yai h GLN 11 Ca -0.00 -0.08 0.00 0.00 0.77 0.00 0.00 58.65 59.34 1yai h GLN 11 Cb 0.83 0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.54 1yai h GLN 11 CO 0.05 0.93 -1.69 0.25 -1.93 0.00 0.00 178.83 176.44 1yai n THR 12 N -4.59 0.05 -0.90 2.39 -2.24 -1.25 -4.97 114.28 102.78 1yai n THR 12 Ca -0.10 -0.40 0.00 0.00 -2.27 0.00 0.00 64.05 61.28 1yai n THR 12 Cb 0.48 0.17 0.00 0.00 -2.10 0.00 0.00 70.33 68.88 1yai n THR 12 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1yai n GLY 13 N 1.30 0.67 3.92 3.38 0.00 0.12 -5.03 105.19 109.55 1yai n GLY 13 Ca -0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.74 1yai n GLY 13 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1yai s LYS 14 N -0.10 3.55 0.44 1.61 -2.85 -1.23 -4.73 119.74 116.43 1yai s LYS 14 Ca 0.00 -0.13 -0.23 0.00 -1.00 0.00 0.00 55.97 54.61 1yai s LYS 14 Cb 0.00 -2.62 -0.08 0.00 -2.06 0.00 0.00 37.83 33.06 1yai s LYS 14 CO 0.00 0.13 1.10 -1.25 0.10 0.00 0.00 175.35 175.43 1yai s PRO 15 N -4.05 3.94 0.00 1.78 0.04 -1.26 -0.44 135.00 135.01 1yai s PRO 15 Ca 0.42 1.61 0.00 0.00 0.04 0.00 0.00 61.00 63.07 1yai s PRO 15 Cb -0.10 -2.43 0.00 0.00 0.04 0.00 0.00 34.50 32.01 1yai s PRO 15 CO 0.35 -0.36 0.62 1.33 0.04 0.00 0.00 177.00 178.98 1yai n VAL 16 N -0.36 0.35 0.00 -0.36 0.24 -0.59 -4.82 118.33 112.79 1yai n VAL 16 Ca 0.07 -0.59 0.00 0.00 -2.04 0.00 0.00 64.34 61.78 1yai n VAL 16 Cb 0.49 0.93 0.00 0.00 -1.47 0.00 0.00 33.84 33.79 1yai n VAL 16 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1yai n GLY 17 N -0.17 0.94 3.18 7.63 0.00 -1.25 -1.06 105.19 114.46 1yai n GLY 17 Ca 0.00 -1.92 -0.11 0.00 0.00 0.00 0.00 46.02 43.99 1yai n GLY 17 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1yai s THR 18 N -2.62 0.48 -0.09 2.61 -4.23 -0.72 -1.35 115.64 109.72 1yai s THR 18 Ca 0.00 -1.93 0.03 0.00 -1.18 0.00 0.00 61.69 58.61 1yai s THR 18 Cb 0.00 -1.91 0.01 0.00 1.34 0.00 0.00 72.50 71.93 1yai s THR 18 CO 0.00 -0.64 -0.18 -0.63 -0.54 0.00 0.00 174.62 172.63 1yai s ILE 19 N -3.78 1.58 -0.20 2.99 1.01 0.40 -0.72 121.20 122.48 1yai s ILE 19 Ca 0.19 -0.73 -0.11 0.00 0.00 0.00 0.00 60.65 59.99 1yai s ILE 19 Cb 0.06 -1.40 -0.05 0.00 0.01 0.00 0.00 42.46 41.09 1yai s ILE 19 CO -0.01 0.45 0.20 -0.70 0.00 0.00 0.00 174.94 174.88 1yai s GLU 20 N 0.58 4.18 -0.16 2.79 2.12 0.04 -0.34 118.70 127.91 1yai s GLU 20 Ca -0.15 -0.12 -0.06 0.00 0.36 0.00 0.00 54.97 55.00 1yai s GLU 20 Cb -0.17 -3.45 -0.04 0.00 0.26 0.00 0.00 34.13 30.74 1yai s GLU 20 CO 0.05 0.22 0.02 -0.51 -0.54 0.00 0.00 175.26 174.50 1yai s LEU 21 N 0.59 3.62 -0.01 2.70 1.02 0.77 -0.11 118.68 127.26 1yai s LEU 21 Ca 0.11 0.03 0.01 0.00 0.02 0.00 0.00 54.13 54.29 1yai s LEU 21 Cb -0.12 -1.89 0.00 0.00 0.02 0.00 0.00 46.19 44.20 1yai s LEU 21 CO 0.01 0.20 -0.02 -0.55 0.02 0.00 0.00 176.35 176.01 1yai s SER 22 N 0.22 0.30 -0.09 2.29 0.15 -0.15 -0.86 113.70 115.57 1yai s SER 22 Ca 0.02 -0.04 -0.22 0.00 0.70 0.00 0.00 55.95 56.41 1yai s SER 22 Cb -0.13 -0.05 -0.04 0.00 -1.71 0.00 0.00 66.02 64.09 1yai s SER 22 CO 0.01 0.01 0.63 -1.58 1.20 0.00 0.00 173.24 173.51 1yai s GLN 23 N 0.08 4.40 0.19 5.44 2.00 -1.26 0.18 119.66 130.68 1yai s GLN 23 Ca -0.00 0.73 0.02 0.00 -2.00 0.00 0.00 55.36 54.11 1yai s GLN 23 Cb -0.03 -3.45 -0.05 0.00 0.80 0.00 0.00 33.01 30.29 1yai s GLN 23 CO -0.00 0.08 0.02 1.21 -0.50 0.00 0.00 175.29 176.10 1yai s ASN 24 N 0.75 1.27 0.56 6.67 3.84 0.37 -4.96 114.94 123.44 1yai s ASN 24 Ca 0.33 -1.21 0.33 0.00 0.21 0.00 0.00 52.86 52.52 1yai s ASN 24 Cb -0.17 0.12 1.62 0.00 -0.55 0.00 0.00 41.25 42.27 1yai s ASN 24 CO 0.15 -0.59 2.10 0.07 -2.79 0.00 0.00 177.10 176.04 1yai h LYS 25 N 2.62 0.00 -0.02 0.43 2.10 -2.02 -2.42 116.57 117.26 1yai h LYS 25 Ca -0.37 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.28 1yai h LYS 25 Cb 1.21 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.54 1yai h LYS 25 CO 0.62 0.06 -0.02 0.66 -2.00 0.00 0.00 179.45 178.78 1yai n TYR 26 N -3.33 0.00 0.00 0.07 4.01 -1.26 -5.07 117.16 111.58 1yai n TYR 26 Ca -0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.73 1yai n TYR 26 Cb 0.23 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.26 1yai n TYR 26 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1yai n GLY 27 N 1.29 0.93 3.73 2.72 0.00 -0.91 -4.10 105.19 108.85 1yai n GLY 27 Ca 0.16 -1.85 -0.35 0.00 0.00 0.00 0.00 46.02 43.98 1yai n GLY 27 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1yai s VAL 28 N -3.07 5.16 -0.18 1.61 1.01 -0.70 -0.48 120.40 123.75 1yai s VAL 28 Ca 0.00 0.09 -0.09 0.00 0.00 0.00 0.00 61.98 61.99 1yai s VAL 28 Cb 0.00 -3.31 -0.05 0.00 0.00 0.00 0.00 36.38 33.03 1yai s VAL 28 CO 0.00 0.50 0.11 -0.69 0.00 0.00 0.00 175.10 175.02 1yai s VAL 29 N -0.06 5.19 -0.36 2.92 1.01 0.13 -0.99 120.40 128.24 1yai s VAL 29 Ca 0.08 0.11 -0.08 0.00 0.00 0.00 0.00 61.98 62.09 1yai s VAL 29 Cb -0.12 -3.34 0.04 0.00 0.00 0.00 0.00 36.38 32.96 1yai s VAL 29 CO 0.00 0.47 0.16 -0.36 0.00 0.00 0.00 175.10 175.37 1yai s PHE 30 N 0.18 3.27 -0.41 5.22 0.40 0.48 -0.98 117.98 126.14 1yai s PHE 30 Ca 0.07 -1.32 -0.08 0.00 -0.60 0.00 0.00 56.93 55.00 1yai s PHE 30 Cb -0.12 -2.44 0.08 0.00 0.51 0.00 0.00 43.02 41.05 1yai s PHE 30 CO -0.01 -0.73 0.24 0.99 0.70 0.00 0.00 175.22 176.42 1yai s THR 31 N 1.45 4.09 0.49 0.64 2.01 0.84 -1.82 115.64 123.34 1yai s THR 31 Ca 0.00 -1.46 -0.06 0.00 0.31 0.00 0.00 61.69 60.47 1yai s THR 31 Cb -0.20 -3.52 -0.04 0.00 0.01 0.00 0.00 72.50 68.75 1yai s THR 31 CO 0.04 -0.51 0.82 -2.16 -0.69 0.00 0.00 174.62 172.11 1yai s PRO 32 N 1.39 3.57 -0.45 4.92 0.04 -1.26 -0.78 135.00 142.43 1yai s PRO 32 Ca 0.03 0.29 0.06 0.00 0.04 0.00 0.00 61.00 61.42 1yai s PRO 32 Cb -0.23 -2.34 0.20 0.00 0.04 0.00 0.00 34.50 32.17 1yai s PRO 32 CO 0.01 -0.24 0.55 -1.91 0.04 0.00 0.00 177.00 175.45 1yai n GLU 33 N -2.25 0.45 -4.41 4.56 2.13 0.10 -4.12 120.64 117.10 1yai n GLU 33 Ca 0.01 -2.67 -0.24 0.00 0.66 0.00 0.00 57.16 54.92 1yai n GLU 33 Cb 0.55 -1.51 -0.09 0.00 0.27 0.00 0.00 31.44 30.66 1yai n GLU 33 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1yai s LEU 34 N -0.00 2.77 0.21 4.31 2.01 -0.51 -1.75 118.68 125.71 1yai s LEU 34 Ca 0.32 -0.88 -0.08 0.00 0.01 0.00 0.00 54.13 53.50 1yai s LEU 34 Cb 0.07 -1.31 -0.02 0.00 0.01 0.00 0.00 46.19 44.94 1yai s LEU 34 CO -0.15 0.04 0.32 0.00 1.01 0.00 0.00 176.35 177.58 1yai s ALA 35 N -2.35 0.22 -1.15 4.21 0.00 -0.22 -1.15 121.76 121.31 1yai s ALA 35 Ca 0.29 -1.11 0.00 0.00 0.00 0.00 0.00 51.96 51.15 1yai s ALA 35 Cb -0.06 1.09 0.00 0.00 0.00 0.00 0.00 23.12 24.15 1yai s ALA 35 CO 0.16 -0.72 0.00 -0.25 0.00 0.00 0.00 175.76 174.95 1yai n ASP 36 N -0.30 -4.13 -4.74 0.00 8.00 -0.69 -4.75 116.55 109.95 1yai n ASP 36 Ca -0.02 0.09 -0.24 0.00 0.71 0.00 0.00 54.79 55.33 1yai n ASP 36 Cb 0.63 -3.13 -0.06 0.00 -0.02 0.00 0.00 41.12 38.55 1yai n ASP 36 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1yai s LEU 37 N -3.34 3.55 0.28 0.64 1.43 -1.09 -5.08 118.68 115.08 1yai s LEU 37 Ca 0.00 -0.36 -0.29 0.00 -1.03 0.00 0.00 54.13 52.44 1yai s LEU 37 Cb 0.00 -2.12 -0.10 0.00 0.03 0.00 0.00 46.19 44.01 1yai s LEU 37 CO 0.00 0.01 1.32 -0.89 0.23 0.00 0.00 176.35 177.02 1yai s THR 38 N -2.05 2.88 0.74 5.49 2.01 -1.26 -4.22 115.64 119.24 1yai s THR 38 Ca 0.31 0.81 -0.15 0.00 0.31 0.00 0.00 61.69 62.97 1yai s THR 38 Cb -0.08 -3.52 0.04 0.00 0.01 0.00 0.00 72.50 68.95 1yai s THR 38 CO 0.22 0.16 1.18 -2.65 -0.69 0.00 0.00 174.62 172.84 1yai n PRO 39 N 1.60 0.52 0.00 4.92 -0.02 -1.26 -4.74 135.00 136.02 1yai n PRO 39 Ca 0.03 0.25 0.00 0.00 -2.02 0.00 0.00 63.50 61.75 1yai n PRO 39 Cb 0.42 -2.42 0.00 0.00 -0.02 0.00 0.00 33.50 31.48 1yai n PRO 39 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1yai n GLY 40 N 0.78 -0.03 3.78 -1.23 0.00 0.37 -4.92 105.19 103.94 1yai n GLY 40 Ca 0.14 -2.29 -0.39 0.00 0.00 0.00 0.00 46.02 43.48 1yai n GLY 40 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1yai s MET 41 N -0.94 4.25 0.06 1.61 -1.94 -1.26 -1.36 119.30 119.72 1yai s MET 41 Ca 0.00 0.67 0.09 0.00 -1.71 0.00 0.00 55.69 54.74 1yai s MET 41 Cb 0.00 -3.31 -0.03 0.00 2.01 0.00 0.00 34.83 33.50 1yai s MET 41 CO 0.00 0.45 -0.24 -1.01 -0.01 0.00 0.00 175.02 174.21 1yai s HIS 42 N -0.42 2.11 0.31 -0.03 3.76 0.02 -3.96 115.29 117.08 1yai s HIS 42 Ca 0.29 -0.40 -0.29 0.00 -0.15 0.00 0.00 55.06 54.52 1yai s HIS 42 Cb -0.18 -1.24 -0.10 0.00 1.11 0.00 0.00 32.58 32.17 1yai s HIS 42 CO 0.16 0.14 1.34 0.20 -0.85 0.00 0.00 174.74 175.74 1yai s GLY 43 N -1.35 2.82 -0.11 -2.22 0.00 0.24 -1.54 107.32 105.15 1yai s GLY 43 Ca 0.10 1.28 -0.03 0.00 0.00 0.00 0.00 44.72 46.07 1yai s GLY 43 CO 0.03 2.01 0.07 -0.12 0.00 0.00 0.00 173.10 175.09 1yai s PHE 44 N -0.82 0.23 0.14 1.90 5.36 -1.26 -0.60 117.98 122.93 1yai s PHE 44 Ca 0.52 -0.12 -0.08 0.00 -0.96 0.00 0.00 56.93 56.29 1yai s PHE 44 Cb -0.40 -0.64 -0.01 0.00 -0.34 0.00 0.00 43.02 41.63 1yai s PHE 44 CO 0.50 -0.38 0.22 -1.01 -1.46 0.00 0.00 175.22 173.10 1yai s HIS 45 N 2.12 0.38 -0.19 10.12 3.76 -0.63 -2.79 115.29 128.07 1yai s HIS 45 Ca 0.03 -0.77 -0.13 0.00 -0.15 0.00 0.00 55.06 54.05 1yai s HIS 45 Cb -0.14 -0.11 -0.05 0.00 1.11 0.00 0.00 32.58 33.39 1yai s HIS 45 CO -0.06 -0.64 0.24 0.42 -0.85 0.00 0.00 174.74 173.85 1yai s ILE 46 N -3.94 5.33 0.22 0.60 -1.09 0.38 -0.40 121.20 122.29 1yai s ILE 46 Ca 0.14 0.41 0.06 0.00 -2.23 0.00 0.00 60.65 59.03 1yai s ILE 46 Cb 0.04 -3.58 -0.03 0.00 -1.58 0.00 0.00 42.46 37.31 1yai s ILE 46 CO -0.03 0.37 0.26 -1.00 -1.23 0.00 0.00 174.94 173.31 1yai s HIS 47 N 0.67 3.28 0.10 3.97 3.76 0.95 -0.60 115.29 127.42 1yai s HIS 47 Ca 0.13 -0.04 -0.33 0.00 -0.15 0.00 0.00 55.06 54.67 1yai s HIS 47 Cb -0.13 -1.51 -0.13 0.00 1.11 0.00 0.00 32.58 31.92 1yai s HIS 47 CO 0.03 0.49 1.59 1.96 -0.85 0.00 0.00 174.74 177.96 1yai h GLN 48 N 1.58 -0.76 -6.65 1.40 4.20 -0.58 -2.94 115.11 111.35 1yai h GLN 48 Ca -0.50 0.05 -0.51 0.00 0.06 0.00 0.00 58.65 57.76 1yai h GLN 48 Cb 1.23 0.17 -0.03 0.00 0.30 0.00 0.00 27.48 29.15 1yai h GLN 48 CO 0.62 -0.51 0.13 -0.80 -0.67 0.00 0.00 178.83 177.60 1yai s ASN 49 N -4.57 6.99 -1.50 1.46 0.01 -0.14 -4.63 114.94 112.56 1yai s ASN 49 Ca -0.17 1.41 -0.08 0.00 -0.71 0.00 0.00 52.86 53.31 1yai s ASN 49 Cb 0.06 -2.42 0.00 0.00 0.41 0.00 0.00 41.25 39.30 1yai s ASN 49 CO 0.62 -0.06 2.68 0.61 -1.51 0.00 0.00 177.10 179.45 1yai n GLY 50 N 0.35 4.64 3.31 0.66 0.00 -1.01 -2.88 105.19 110.25 1yai n GLY 50 Ca -0.00 -1.73 -0.13 0.00 0.00 0.00 0.00 46.02 44.15 1yai n GLY 50 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1yai s SER 51 N 1.50 -0.39 0.00 1.61 0.15 -1.26 -4.94 113.70 110.36 1yai s SER 51 Ca 0.62 0.67 0.13 0.00 0.70 0.00 0.00 55.95 58.06 1yai s SER 51 Cb 0.18 0.71 0.32 0.00 -1.71 0.00 0.00 66.02 65.52 1yai s SER 51 CO -0.07 -0.24 1.24 0.00 1.20 0.00 0.00 173.24 175.37 1yai s ALA 53 N -1.01 1.45 0.77 0.00 0.00 -1.26 -3.92 121.76 117.79 1yai s ALA 53 Ca 0.25 -0.08 -0.05 0.00 0.00 0.00 0.00 51.96 52.08 1yai s ALA 53 Cb 0.14 -3.19 0.14 0.00 0.00 0.00 0.00 23.12 20.20 1yai s ALA 53 CO 0.18 -2.43 1.07 -1.54 0.00 0.00 0.00 175.76 173.04 1yai s SER 54 N -3.40 4.13 0.30 0.00 1.04 -1.26 -0.63 113.70 113.88 1yai s SER 54 Ca 0.64 -0.13 0.02 0.00 0.48 0.00 0.00 55.95 56.96 1yai s SER 54 Cb -0.18 -0.21 -0.02 0.00 0.10 0.00 0.00 66.02 65.70 1yai s SER 54 CO 0.57 -2.02 0.30 -0.94 0.98 0.00 0.00 173.24 172.13 1yai s SER 55 N -4.74 1.04 0.08 7.02 1.04 -0.38 -3.98 113.70 113.78 1yai s SER 55 Ca 0.67 -1.56 0.07 0.00 0.48 0.00 0.00 55.95 55.61 1yai s SER 55 Cb -0.06 0.54 -0.03 0.00 0.10 0.00 0.00 66.02 66.57 1yai s SER 55 CO 0.46 -1.07 -0.18 -1.83 0.98 0.00 0.00 173.24 171.60 1yai s GLU 56 N -3.55 1.01 -0.06 4.02 4.04 -1.26 0.38 118.70 123.28 1yai s GLU 56 Ca 0.37 -1.04 -0.02 0.00 0.04 0.00 0.00 54.97 54.31 1yai s GLU 56 Cb 0.03 -1.16 0.04 0.00 0.02 0.00 0.00 34.13 33.06 1yai s GLU 56 CO 0.21 0.27 0.12 -1.59 -1.84 0.00 0.00 175.26 172.43 1yai s LYS 57 N -1.74 0.03 -1.45 -4.83 -2.85 -0.41 -4.83 119.74 103.66 1yai s LYS 57 Ca 0.03 0.40 -0.09 0.00 -1.00 0.00 0.00 55.97 55.31 1yai s LYS 57 Cb -0.10 -0.25 0.05 0.00 -2.06 0.00 0.00 37.83 35.47 1yai s LYS 57 CO 0.03 -0.23 0.72 -3.47 0.10 0.00 0.00 175.35 172.50 1yai n ASP 58 N 4.65 -4.96 0.00 0.03 2.03 -1.26 -0.26 116.55 116.78 1yai n ASP 58 Ca -0.18 -0.48 0.00 0.00 0.52 0.00 0.00 54.79 54.65 1yai n ASP 58 Cb 0.51 -4.01 0.00 0.00 -0.72 0.00 0.00 41.12 36.90 1yai n ASP 58 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1yai n GLY 59 N -1.49 0.41 3.88 0.27 0.00 -1.26 -4.99 105.19 102.01 1yai n GLY 59 Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 1yai n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1yai s LYS 60 N -0.68 3.70 0.00 1.61 -0.14 0.64 -5.08 119.74 119.80 1yai s LYS 60 Ca 0.00 0.07 -0.19 0.00 -1.36 0.00 0.00 55.97 54.49 1yai s LYS 60 Cb 0.00 -2.94 -0.06 0.00 -1.68 0.00 0.00 37.83 33.16 1yai s LYS 60 CO 0.00 0.53 0.56 0.08 -0.76 0.00 0.00 175.35 175.75 1yai s VAL 61 N -1.49 4.91 -0.35 3.17 1.01 -1.26 -1.29 120.40 125.09 1yai s VAL 61 Ca 0.36 1.16 -0.01 0.00 0.00 0.00 0.00 61.98 63.49 1yai s VAL 61 Cb -0.13 -3.89 0.08 0.00 0.00 0.00 0.00 36.38 32.45 1yai s VAL 61 CO 0.20 0.46 0.08 -0.69 0.00 0.00 0.00 175.10 175.15 1yai s VAL 62 N -0.44 2.92 0.19 2.92 1.01 0.16 -4.96 120.40 122.20 1yai s VAL 62 Ca 0.29 -1.84 -0.32 0.00 0.00 0.00 0.00 61.98 60.11 1yai s VAL 62 Cb -0.18 -2.89 -0.12 0.00 0.00 0.00 0.00 36.38 33.19 1yai s VAL 62 CO 0.16 -0.42 1.72 0.18 0.00 0.00 0.00 175.10 176.74 1yai n LEU 63 N 4.53 3.89 0.00 3.92 4.32 -1.26 -1.07 117.00 131.32 1yai n LEU 63 Ca -0.06 1.06 0.00 0.00 -0.02 0.00 0.00 56.01 56.99 1yai n LEU 63 Cb 0.42 -1.55 0.00 0.00 -1.62 0.00 0.00 43.42 40.67 1yai n LEU 63 CO 0.28 0.12 0.00 0.61 -1.22 0.00 0.00 177.39 177.18 1yai n GLY 64 N 3.92 0.84 0.37 -0.72 0.00 -1.21 -4.46 105.19 103.93 1yai n GLY 64 Ca 0.16 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.37 1yai n GLY 64 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1yai h GLY 65 N 0.00 0.00 2.00 -0.02 0.00 -0.94 -1.30 103.07 102.81 1yai h GLY 65 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1yai h GLY 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54 1yai n ALA 66 N -2.46 1.48 0.69 3.60 0.00 0.20 -1.73 120.51 122.29 1yai n ALA 66 Ca 0.06 0.10 0.09 0.00 0.00 0.00 0.00 53.44 53.69 1yai n ALA 66 Cb 0.51 -1.35 0.41 0.00 0.00 0.00 0.00 19.45 19.03 1yai n ALA 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1yai n ALA 67 N -1.75 1.87 -0.43 0.00 0.00 -0.49 -4.63 120.51 115.08 1yai n ALA 67 Ca 0.01 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1yai n ALA 67 Cb 0.17 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.32 1yai n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1yai n GLY 68 N 0.35 -0.68 0.00 0.00 0.00 -0.71 -0.97 105.19 103.19 1yai n GLY 68 Ca 0.06 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 44.94 1yai n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yai n GLY 69 N 0.00 -0.13 3.77 -0.02 0.00 -1.26 -4.67 105.19 102.89 1yai n GLY 69 Ca 0.00 -1.78 -0.38 0.00 0.00 0.00 0.00 46.02 43.86 1yai n GLY 69 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1yai s HIS 70 N 0.05 3.27 -0.02 1.61 3.76 -1.26 -0.28 115.29 122.42 1yai s HIS 70 Ca 0.00 1.62 -0.33 0.00 -0.15 0.00 0.00 55.06 56.20 1yai s HIS 70 Cb 0.00 -3.28 -0.11 0.00 1.11 0.00 0.00 32.58 30.30 1yai s HIS 70 CO 0.00 -0.89 1.88 0.98 -0.85 0.00 0.00 174.74 175.86 1yai n TYR 71 N 0.34 2.40 -2.94 1.40 9.36 0.24 -4.41 117.16 123.54 1yai n TYR 71 Ca 0.03 -0.10 -0.14 0.00 3.32 0.00 0.00 57.90 61.01 1yai n TYR 71 Cb 0.47 -2.70 0.01 0.00 -0.63 0.00 0.00 39.34 36.49 1yai n TYR 71 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 1yai n ASP 72 N 6.59 -1.34 0.32 2.98 2.03 -1.26 -1.16 116.55 124.71 1yai n ASP 72 Ca 0.21 -3.15 0.20 0.00 0.52 0.00 0.00 54.79 52.57 1yai n ASP 72 Cb 0.33 0.75 1.07 0.00 -0.72 0.00 0.00 41.12 42.55 1yai n ASP 72 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1yai h PRO 73 N 3.68 0.00 -0.49 -0.67 0.13 -1.96 0.09 132.00 132.78 1yai h PRO 73 Ca -0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 1yai h PRO 73 Cb 0.99 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.12 1yai h PRO 73 CO 0.36 0.01 0.00 0.39 -0.23 0.00 0.00 178.00 178.53 1yai n GLU 74 N -3.28 2.32 -3.80 0.86 1.02 -1.26 -4.96 120.64 111.54 1yai n GLU 74 Ca -0.03 -2.03 -0.24 0.00 -0.02 0.00 0.00 57.16 54.85 1yai n GLU 74 Cb 0.11 -1.46 0.02 0.00 -0.02 0.00 0.00 31.44 30.09 1yai n GLU 74 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1yai n HIS 75 N 1.18 -1.94 0.11 -0.32 8.25 0.02 -4.87 115.22 117.64 1yai n HIS 75 Ca 0.19 0.84 -0.03 0.00 -0.26 0.00 0.00 57.72 58.45 1yai n HIS 75 Cb 0.50 -4.17 0.06 0.00 1.12 0.00 0.00 29.99 27.50 1yai n HIS 75 CO 0.00 0.00 0.00 1.79 0.64 0.00 0.00 176.34 178.77 1yai h THR 76 N -1.90 1.53 -3.58 1.59 1.35 -1.89 -3.47 112.91 106.53 1yai h THR 76 Ca -0.61 -2.63 -0.38 0.00 -0.55 0.00 0.00 66.41 62.24 1yai h THR 76 Cb 1.37 2.43 -0.00 0.00 -1.73 0.00 0.00 68.15 70.21 1yai h THR 76 CO 0.60 0.75 -0.51 0.59 -0.25 0.00 0.00 175.52 176.70 1yai n ASN 77 N -3.61 -5.50 -3.77 5.36 3.02 -1.26 -4.92 115.26 104.58 1yai n ASN 77 Ca -0.01 -0.05 -0.13 0.00 -0.03 0.00 0.00 54.58 54.36 1yai n ASN 77 Cb 0.74 -4.56 -0.10 0.00 -0.61 0.00 0.00 39.78 35.25 1yai n ASN 77 CO 0.00 0.00 0.00 -1.59 -2.62 0.00 0.00 177.26 173.05 1yai s LYS 78 N -5.23 0.47 0.13 3.52 -2.85 -1.26 -5.04 119.74 109.48 1yai s LYS 78 Ca 0.08 0.16 -0.16 0.00 -1.00 0.00 0.00 55.97 55.05 1yai s LYS 78 Cb -0.04 0.22 -0.07 0.00 -2.06 0.00 0.00 37.83 35.88 1yai s LYS 78 CO 0.10 -0.09 0.57 -1.58 0.10 0.00 0.00 175.35 174.45 1yai s HIS 79 N -0.44 3.68 0.00 1.78 5.65 -1.26 -0.37 115.29 124.32 1yai s HIS 79 Ca -0.06 1.16 0.00 0.00 0.25 0.00 0.00 55.06 56.42 1yai s HIS 79 Cb -0.04 -2.44 0.00 0.00 -1.18 0.00 0.00 32.58 28.93 1yai s HIS 79 CO 0.02 0.47 0.00 0.41 -0.65 0.00 0.00 174.74 174.99 1yai n GLY 80 N 1.11 3.56 3.93 1.59 0.00 -1.26 -4.16 105.19 109.96 1yai n GLY 80 Ca -0.07 -0.43 -0.25 0.00 0.00 0.00 0.00 46.02 45.27 1yai n GLY 80 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1yai s PHE 81 N -0.69 3.42 -0.78 1.61 0.08 -1.26 -4.50 117.98 115.86 1yai s PHE 81 Ca 0.00 0.50 0.22 0.00 0.12 0.00 0.00 56.93 57.76 1yai s PHE 81 Cb 0.00 -2.22 0.87 0.00 -0.57 0.00 0.00 43.02 41.10 1yai s PHE 81 CO 0.00 -0.23 1.67 -2.30 -0.10 0.00 0.00 175.22 174.26 1yai n PRO 82 N -2.10 0.11 -0.38 0.24 -0.02 -1.25 -3.09 135.00 128.51 1yai n PRO 82 Ca -0.01 0.26 0.07 0.00 -2.02 0.00 0.00 63.50 61.81 1yai n PRO 82 Cb 0.56 -1.67 0.20 0.00 -0.02 0.00 0.00 33.50 32.57 1yai n PRO 82 CO 0.00 0.00 0.00 -2.67 1.98 0.00 0.00 175.50 174.81 1yai n TRP 83 N -1.87 0.51 -4.95 6.00 2.14 -1.26 -4.35 117.44 113.66 1yai n TRP 83 Ca 0.04 -1.11 -0.28 0.00 2.07 0.00 0.00 57.50 58.22 1yai n TRP 83 Cb 0.26 -0.28 -0.15 0.00 -0.81 0.00 0.00 31.31 30.33 1yai n TRP 83 CO 0.00 0.00 0.00 0.95 2.07 0.00 0.00 177.69 180.71 1yai s THR 84 N -2.97 1.83 -0.17 -1.67 -4.23 -1.18 -5.06 115.64 102.18 1yai s THR 84 Ca 0.38 -1.11 0.19 0.00 -1.18 0.00 0.00 61.69 59.96 1yai s THR 84 Cb 0.33 -1.54 -0.05 0.00 1.34 0.00 0.00 72.50 72.58 1yai s THR 84 CO 0.03 0.40 1.00 0.44 -0.54 0.00 0.00 174.62 175.96 1yai h ASP 85 N 5.23 0.00 0.00 3.99 3.32 -1.93 -3.38 116.42 123.64 1yai h ASP 85 Ca -0.42 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.63 1yai h ASP 85 Cb 1.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.69 1yai h ASP 85 CO 0.46 0.37 0.00 -0.67 -1.72 0.00 0.00 179.24 177.68 1yai n ASP 86 N -2.88 3.83 -3.29 6.45 2.03 -1.26 -4.83 116.55 116.59 1yai n ASP 86 Ca -0.05 -2.14 -0.12 0.00 0.52 0.00 0.00 54.79 53.01 1yai n ASP 86 Cb 0.73 -0.72 -0.02 0.00 -0.72 0.00 0.00 41.12 40.38 1yai n ASP 86 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1yai s ASN 87 N 1.36 0.44 -0.21 1.67 2.20 -1.26 -4.67 114.94 114.46 1yai s ASN 87 Ca 0.00 -1.26 -0.41 0.00 -0.94 0.00 0.00 52.86 50.25 1yai s ASN 87 Cb 0.00 0.71 -0.17 0.00 -2.00 0.00 0.00 41.25 39.79 1yai s ASN 87 CO 0.00 -1.39 1.57 1.41 -2.94 0.00 0.00 177.10 175.74 1yai n HIS 88 N -0.52 1.75 0.30 1.54 8.25 0.50 -4.83 115.22 122.21 1yai n HIS 88 Ca -0.02 0.72 0.19 0.00 -0.26 0.00 0.00 57.72 58.34 1yai n HIS 88 Cb 0.61 -2.36 0.95 0.00 1.12 0.00 0.00 29.99 30.31 1yai n HIS 88 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 1yai h LYS 89 N 5.83 0.00 0.00 -0.41 3.64 -1.86 -2.28 116.57 121.50 1yai h LYS 89 Ca -0.47 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 1yai h LYS 89 Cb 1.34 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.16 1yai h LYS 89 CO 0.89 0.03 0.00 0.41 -2.27 0.00 0.00 179.45 178.51 1yai n GLY 90 N -0.68 -0.90 3.58 5.01 0.00 -0.31 -4.80 105.19 107.09 1yai n GLY 90 Ca -0.02 -0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 1yai n GLY 90 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1yai s ASP 91 N -1.45 6.37 0.29 1.61 1.01 -0.86 -0.47 116.67 123.17 1yai s ASP 91 Ca 0.17 0.13 0.05 0.00 0.71 0.00 0.00 52.55 53.60 1yai s ASP 91 Cb 0.08 -2.55 -0.02 0.00 1.01 0.00 0.00 42.92 41.43 1yai s ASP 91 CO 0.13 -1.55 0.43 -0.76 0.21 0.00 0.00 175.17 173.64 1yai s LEU 92 N 5.23 4.14 0.60 1.23 1.43 -1.12 -3.74 118.68 126.44 1yai s LEU 92 Ca 0.45 0.04 -0.20 0.00 -1.03 0.00 0.00 54.13 53.39 1yai s LEU 92 Cb -0.08 -2.89 -0.03 0.00 0.03 0.00 0.00 46.19 43.22 1yai s LEU 92 CO 0.25 -0.25 1.30 -2.84 0.23 0.00 0.00 176.35 175.04 1yai s PRO 93 N -4.11 2.86 0.53 1.29 0.02 -1.26 -4.65 135.00 129.67 1yai s PRO 93 Ca 0.39 2.09 -0.22 0.00 0.02 0.00 0.00 61.00 63.28 1yai s PRO 93 Cb -0.09 -2.02 -0.05 0.00 0.02 0.00 0.00 34.50 32.35 1yai s PRO 93 CO 0.31 -1.37 1.37 0.00 -0.33 0.00 0.00 177.00 176.98 1yai s ALA 94 N -1.39 2.88 -0.20 -1.55 0.00 -1.26 -4.60 121.76 115.63 1yai s ALA 94 Ca 0.77 1.36 -0.14 0.00 0.00 0.00 0.00 51.96 53.95 1yai s ALA 94 Cb -0.37 -3.57 -0.04 0.00 0.00 0.00 0.00 23.12 19.13 1yai s ALA 94 CO 0.42 -1.36 0.31 -1.17 0.00 0.00 0.00 175.76 173.96 1yai s LEU 95 N -3.41 4.16 -0.02 0.00 2.96 -0.59 -4.88 118.68 116.89 1yai s LEU 95 Ca 0.70 0.40 -0.20 0.00 -0.22 0.00 0.00 54.13 54.80 1yai s LEU 95 Cb -0.41 -2.37 -0.05 0.00 0.50 0.00 0.00 46.19 43.86 1yai s LEU 95 CO 0.49 -0.00 0.59 0.12 -1.32 0.00 0.00 176.35 176.23 1yai s PHE 96 N 1.07 3.65 -0.13 5.38 5.36 -1.26 -0.80 117.98 131.25 1yai s PHE 96 Ca 0.15 1.17 0.01 0.00 -0.96 0.00 0.00 56.93 57.30 1yai s PHE 96 Cb -0.14 -2.62 0.02 0.00 -0.34 0.00 0.00 43.02 39.94 1yai s PHE 96 CO 0.06 0.30 -0.15 0.08 -1.46 0.00 0.00 175.22 174.06 1yai s VAL 97 N 0.01 1.54 1.09 3.12 1.01 -0.46 -4.42 120.40 122.28 1yai s VAL 97 Ca 0.31 -0.64 -0.16 0.00 0.00 0.00 0.00 61.98 61.49 1yai s VAL 97 Cb -0.18 -1.43 0.23 0.00 0.00 0.00 0.00 36.38 35.01 1yai s VAL 97 CO 0.16 0.45 1.13 -0.94 0.00 0.00 0.00 175.10 175.91 1yai s SER 98 N 1.24 1.93 0.57 3.32 1.04 0.17 -0.48 113.70 121.50 1yai s SER 98 Ca -0.01 0.78 0.27 0.00 0.48 0.00 0.00 55.95 57.48 1yai s SER 98 Cb -0.14 -1.17 1.60 0.00 0.10 0.00 0.00 66.02 66.41 1yai s SER 98 CO -0.06 -3.52 2.11 0.00 0.98 0.00 0.00 173.24 172.75 1yai h ALA 99 N -2.16 1.88 -0.58 5.32 0.00 -1.97 0.17 119.26 121.92 1yai h ALA 99 Ca -0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1yai h ALA 99 Cb 1.30 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1yai h ALA 99 CO 0.45 -0.27 0.00 0.27 0.00 0.00 0.00 179.25 179.69 1yai n ASN 100 N -3.96 3.63 -0.00 0.00 6.94 -1.26 -4.87 115.26 115.73 1yai n ASN 100 Ca 0.02 -2.17 -0.00 0.00 -0.02 0.00 0.00 54.58 52.40 1yai n ASN 100 Cb 0.31 -0.46 -0.00 0.00 -2.36 0.00 0.00 39.78 37.26 1yai n ASN 100 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1yai n GLY 101 N 1.26 0.42 3.80 4.83 0.00 0.05 -4.70 105.19 110.85 1yai n GLY 101 Ca 0.21 -0.74 -0.36 0.00 0.00 0.00 0.00 46.02 45.12 1yai n GLY 101 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1yai s LEU 102 N -0.01 4.07 -0.27 0.99 1.02 -1.25 -1.70 118.68 121.52 1yai s LEU 102 Ca 0.00 0.34 0.01 0.00 0.02 0.00 0.00 54.13 54.49 1yai s LEU 102 Cb 0.00 -1.97 0.05 0.00 0.02 0.00 0.00 46.19 44.29 1yai s LEU 102 CO 0.00 0.39 -0.07 0.00 0.02 0.00 0.00 176.35 176.69 1yai s ALA 103 N -0.94 2.66 0.00 4.21 0.00 -0.30 -0.66 121.76 126.74 1yai s ALA 103 Ca 0.14 -1.70 0.00 0.00 0.00 0.00 0.00 51.96 50.40 1yai s ALA 103 Cb -0.12 -1.70 0.00 0.00 0.00 0.00 0.00 23.12 21.30 1yai s ALA 103 CO 0.03 -1.14 0.20 0.25 0.00 0.00 0.00 175.76 175.11 1yai n THR 104 N 4.54 0.04 -2.93 0.00 -2.24 -1.26 -1.43 114.28 111.00 1yai n THR 104 Ca -0.14 -0.10 -0.41 0.00 -2.27 0.00 0.00 64.05 61.12 1yai n THR 104 Cb 0.43 1.61 -0.05 0.00 -2.10 0.00 0.00 70.33 70.23 1yai n THR 104 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1yai s ASN 105 N -0.04 6.82 0.51 3.42 2.47 -1.26 -4.63 114.94 122.23 1yai s ASN 105 Ca 0.00 1.01 -0.19 0.00 0.42 0.00 0.00 52.86 54.11 1yai s ASN 105 Cb 0.00 -2.42 -0.07 0.00 -1.45 0.00 0.00 41.25 37.30 1yai s ASN 105 CO 0.00 -0.46 1.02 -2.16 -3.72 0.00 0.00 177.10 171.78 1yai s PRO 106 N 2.63 3.75 0.05 0.43 0.04 -1.26 -4.51 135.00 136.13 1yai s PRO 106 Ca 0.34 1.23 0.02 0.00 0.04 0.00 0.00 61.00 62.64 1yai s PRO 106 Cb -0.16 -2.10 -0.03 0.00 0.04 0.00 0.00 34.50 32.26 1yai s PRO 106 CO 0.08 -0.45 -0.08 0.14 0.04 0.00 0.00 177.00 176.73 1yai s VAL 107 N -2.22 0.58 -0.11 -0.36 -7.23 -0.76 -4.98 120.40 105.33 1yai s VAL 107 Ca 0.64 -1.25 -0.02 0.00 -1.81 0.00 0.00 61.98 59.55 1yai s VAL 107 Cb -0.14 -0.82 -0.03 0.00 0.56 0.00 0.00 36.38 35.94 1yai s VAL 107 CO 0.25 -0.47 -0.03 -0.22 -0.31 0.00 0.00 175.10 174.32 1yai s LEU 108 N -1.86 3.39 -0.41 1.32 2.96 -1.26 -0.39 118.68 122.43 1yai s LEU 108 Ca -0.06 0.02 -0.01 0.00 -0.22 0.00 0.00 54.13 53.86 1yai s LEU 108 Cb -0.07 -1.78 0.11 0.00 0.50 0.00 0.00 46.19 44.95 1yai s LEU 108 CO -0.01 0.30 0.18 0.00 -1.32 0.00 0.00 176.35 175.51 1yai s ALA 109 N -0.45 3.12 -0.40 5.97 0.00 -0.16 -4.67 121.76 125.18 1yai s ALA 109 Ca 0.07 -2.61 0.26 0.00 0.00 0.00 0.00 51.96 49.68 1yai s ALA 109 Cb -0.12 -2.31 0.99 0.00 0.00 0.00 0.00 23.12 21.69 1yai s ALA 109 CO 0.02 -1.80 1.78 -1.00 0.00 0.00 0.00 175.76 174.76 1yai h PRO 110 N 7.81 0.00 -0.01 0.00 0.13 -1.77 -1.83 132.00 136.33 1yai h PRO 110 Ca -0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.03 1yai h PRO 110 Cb 1.03 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.16 1yai h PRO 110 CO 0.65 0.00 -0.36 0.54 -0.23 0.00 0.00 178.00 178.60 1yai n ARG 111 N -2.48 0.67 -3.91 0.86 1.74 -1.26 -4.48 116.66 107.80 1yai n ARG 111 Ca 0.03 -0.42 -0.21 0.00 -0.77 0.00 0.00 57.85 56.47 1yai n ARG 111 Cb 0.30 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.22 1yai n ARG 111 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1yai s LEU 112 N -2.62 4.04 0.08 0.55 1.43 -1.18 -5.06 118.68 115.91 1yai s LEU 112 Ca 0.20 -0.12 0.09 0.00 -1.03 0.00 0.00 54.13 53.27 1yai s LEU 112 Cb 0.19 -2.63 -0.03 0.00 0.03 0.00 0.00 46.19 43.75 1yai s LEU 112 CO 0.58 -0.15 -0.24 0.42 0.23 0.00 0.00 176.35 177.18 1yai s THR 113 N -2.09 1.99 0.20 5.49 -4.23 -1.26 -3.78 115.64 111.96 1yai s THR 113 Ca 0.36 -1.48 -0.11 0.00 -1.18 0.00 0.00 61.69 59.29 1yai s THR 113 Cb -0.08 -1.74 0.13 0.00 1.34 0.00 0.00 72.50 72.15 1yai s THR 113 CO 0.28 0.18 1.85 0.25 -0.54 0.00 0.00 174.62 176.64 1yai h LEU 114 N 4.43 0.84 -0.47 4.79 5.85 -1.93 -3.15 115.31 125.66 1yai h LEU 114 Ca -0.47 -0.05 0.09 0.00 0.84 0.00 0.00 57.88 58.30 1yai h LEU 114 Cb 1.16 -0.21 -0.10 0.00 0.37 0.00 0.00 40.66 41.88 1yai h LEU 114 CO 0.42 0.63 -0.24 0.11 -0.34 0.00 0.00 178.44 179.02 1yai h LYS 115 N 0.96 -0.13 0.00 1.25 1.57 -2.01 -1.26 116.57 116.95 1yai h LYS 115 Ca 0.26 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.04 1yai h LYS 115 Cb -0.06 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.28 1yai h LYS 115 CO -0.05 -0.09 0.00 1.05 -0.57 0.00 0.00 179.45 179.79 1yai h GLU 116 N -0.14 0.00 0.00 3.15 4.11 -1.98 -3.20 114.58 116.52 1yai h GLU 116 Ca 0.22 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.59 1yai h GLU 116 Cb 0.48 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 1yai h GLU 116 CO -0.55 0.00 -0.28 -0.07 0.07 0.00 0.00 179.01 178.17 1yai h LEU 117 N 0.00 0.00 -9.70 3.06 3.38 -1.25 -3.46 115.31 107.34 1yai h LEU 117 Ca 0.00 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.40 1yai h LEU 117 Cb 0.33 0.00 0.10 0.00 0.09 0.00 0.00 40.66 41.18 1yai h LEU 117 CO 0.00 0.28 0.60 0.29 0.09 0.00 0.00 178.44 179.70 1yai n LYS 118 N -3.50 2.18 -0.80 1.13 4.76 -1.21 -2.34 118.16 118.38 1yai n LYS 118 Ca -0.00 0.77 0.00 0.00 -2.87 0.00 0.00 58.31 56.21 1yai n LYS 118 Cb 0.45 -2.41 0.00 0.00 -1.84 0.00 0.00 35.03 31.23 1yai n LYS 118 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1yai n GLY 119 N 1.42 0.66 3.71 0.72 0.00 -0.11 -5.03 105.19 106.56 1yai n GLY 119 Ca 0.07 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.82 1yai n GLY 119 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1yai s HIS 120 N -2.31 2.35 0.01 1.61 3.76 -0.99 -2.41 115.29 117.30 1yai s HIS 120 Ca 0.00 -0.71 0.02 0.00 -0.15 0.00 0.00 55.06 54.22 1yai s HIS 120 Cb 0.00 -1.82 -0.04 0.00 1.11 0.00 0.00 32.58 31.84 1yai s HIS 120 CO 0.00 0.25 -0.01 0.00 -0.85 0.00 0.00 174.74 174.13 1yai s ALA 121 N -2.71 3.26 -0.18 -1.40 0.00 -1.11 -0.57 121.76 119.05 1yai s ALA 121 Ca 0.31 -0.98 -0.12 0.00 0.00 0.00 0.00 51.96 51.16 1yai s ALA 121 Cb 0.05 -1.30 -0.05 0.00 0.00 0.00 0.00 23.12 21.83 1yai s ALA 121 CO 0.17 0.65 0.22 0.42 0.00 0.00 0.00 175.76 177.22 1yai s ILE 122 N -1.11 5.35 0.01 0.00 1.01 0.65 -0.04 121.20 127.07 1yai s ILE 122 Ca 0.20 0.38 0.06 0.00 0.00 0.00 0.00 60.65 61.30 1yai s ILE 122 Cb -0.11 -3.56 -0.02 0.00 0.01 0.00 0.00 42.46 38.77 1yai s ILE 122 CO 0.11 0.40 -0.18 -0.32 0.00 0.00 0.00 174.94 174.96 1yai s MET 123 N 0.52 1.31 -0.07 2.79 1.75 0.46 -1.50 119.30 124.56 1yai s MET 123 Ca 0.13 -0.73 0.05 0.00 -1.25 0.00 0.00 55.69 53.88 1yai s MET 123 Cb -0.12 -1.32 -0.01 0.00 2.84 0.00 0.00 34.83 36.22 1yai s MET 123 CO 0.02 0.35 -0.23 0.42 -0.65 0.00 0.00 175.02 174.92 1yai s ILE 124 N -0.59 2.17 0.32 10.11 1.01 -0.59 -1.60 121.20 132.03 1yai s ILE 124 Ca 0.06 -1.01 0.07 0.00 0.00 0.00 0.00 60.65 59.77 1yai s ILE 124 Cb -0.07 -1.81 -0.03 0.00 0.01 0.00 0.00 42.46 40.56 1yai s ILE 124 CO 0.00 0.57 0.29 -1.00 0.00 0.00 0.00 174.94 174.80 1yai s HIS 125 N -0.02 2.98 0.10 3.97 3.76 0.23 -1.59 115.29 124.72 1yai s HIS 125 Ca -0.08 -0.25 -0.14 0.00 -0.15 0.00 0.00 55.06 54.44 1yai s HIS 125 Cb -0.15 -1.72 -0.09 0.00 1.11 0.00 0.00 32.58 31.73 1yai s HIS 125 CO 0.05 0.25 1.41 0.00 -0.85 0.00 0.00 174.74 175.60 1yai h ALA 126 N 1.27 0.43 -3.96 -1.40 0.00 -0.95 -3.35 119.26 111.29 1yai h ALA 126 Ca -0.46 -0.42 -0.19 0.00 0.00 0.00 0.00 54.91 53.84 1yai h ALA 126 Cb 1.25 -0.09 0.05 0.00 0.00 0.00 0.00 17.79 19.01 1yai h ALA 126 CO 0.58 0.47 0.11 0.41 0.00 0.00 0.00 179.25 180.83 1yai n GLY 127 N 0.20 -0.21 0.00 0.00 0.00 0.39 -4.87 105.19 100.70 1yai n GLY 127 Ca -0.04 -1.85 0.00 0.00 0.00 0.00 0.00 46.02 44.13 1yai n GLY 127 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yai n GLY 128 N 1.47 1.35 3.05 -0.02 0.00 -1.25 -0.59 105.19 109.20 1yai n GLY 128 Ca 0.07 -1.82 -0.06 0.00 0.00 0.00 0.00 46.02 44.21 1yai n GLY 128 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1yai s ASP 129 N -1.00 -0.18 -0.01 1.61 -1.08 -1.24 -2.89 116.67 111.87 1yai s ASP 129 Ca 0.00 0.53 0.17 0.00 -0.52 0.00 0.00 52.55 52.73 1yai s ASP 129 Cb 0.00 1.38 0.50 0.00 -1.46 0.00 0.00 42.92 43.34 1yai s ASP 129 CO 0.00 -0.28 1.41 -0.46 0.52 0.00 0.00 175.17 176.37 1yai n ASN 130 N 5.38 3.10 -3.70 -0.34 6.94 -1.04 -4.88 115.26 120.72 1yai n ASN 130 Ca -0.04 -2.05 -0.26 0.00 -0.02 0.00 0.00 54.58 52.21 1yai n ASN 130 Cb 0.50 -0.39 0.06 0.00 -2.36 0.00 0.00 39.78 37.59 1yai n ASN 130 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 1yai n HIS 131 N 1.09 -2.66 -3.66 -2.53 8.25 -1.26 -4.97 115.22 109.48 1yai n HIS 131 Ca 0.19 0.98 -0.10 0.00 -0.26 0.00 0.00 57.72 58.52 1yai n HIS 131 Cb 0.50 -4.70 -0.04 0.00 1.12 0.00 0.00 29.99 26.88 1yai n HIS 131 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1yai s SER 132 N -3.38 -0.31 0.00 0.41 0.15 -1.26 -4.08 113.70 105.22 1yai s SER 132 Ca 0.58 -0.36 0.27 0.00 0.70 0.00 0.00 55.95 57.14 1yai s SER 132 Cb -0.27 0.56 0.82 0.00 -1.71 0.00 0.00 66.02 65.43 1yai s SER 132 CO 0.76 -1.00 1.61 0.47 1.20 0.00 0.00 173.24 176.28 1yai n ASP 133 N -0.33 1.85 -4.33 5.45 8.00 -1.26 -0.42 116.55 125.51 1yai n ASP 133 Ca -0.12 -1.60 -0.32 0.00 0.71 0.00 0.00 54.79 53.46 1yai n ASP 133 Cb 0.63 0.01 -0.15 0.00 -0.02 0.00 0.00 41.12 41.59 1yai n ASP 133 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 1yai s MET 134 N -2.02 2.78 0.00 -1.24 -1.94 -1.26 -2.87 119.30 112.74 1yai s MET 134 Ca 0.35 -0.80 0.28 0.00 -1.71 0.00 0.00 55.69 53.80 1yai s MET 134 Cb 0.21 -2.33 1.09 0.00 2.01 0.00 0.00 34.83 35.81 1yai s MET 134 CO 0.34 0.38 1.79 -0.35 -0.01 0.00 0.00 175.02 177.16 1yai n PRO 135 N 2.99 0.45 -5.19 2.03 -0.04 -1.26 -4.98 135.00 129.00 1yai n PRO 135 Ca -0.18 -0.16 -0.31 0.00 -0.04 0.00 0.00 63.50 62.82 1yai n PRO 135 Cb 0.52 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.32 1yai n PRO 135 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1yai s LYS 136 N -2.66 2.44 0.53 0.54 3.01 -1.22 -5.08 119.74 117.30 1yai s LYS 136 Ca 0.23 -0.85 -0.20 0.00 -1.01 0.00 0.00 55.97 54.14 1yai s LYS 136 Cb 0.19 -2.06 -0.08 0.00 -1.01 0.00 0.00 37.83 34.87 1yai s LYS 136 CO 0.52 0.35 0.77 0.00 0.51 0.00 0.00 175.35 177.51 1yai n ALA 137 N 3.01 -0.47 -3.03 5.17 0.00 -1.14 -2.77 120.51 121.27 1yai n ALA 137 Ca -0.18 0.07 -0.19 0.00 0.00 0.00 0.00 53.44 53.14 1yai n ALA 137 Cb 0.52 -1.97 -0.00 0.00 0.00 0.00 0.00 19.45 18.00 1yai n ALA 137 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1yai n LEU 138 N 0.22 -1.51 0.00 0.00 4.77 -1.26 -2.34 117.00 116.87 1yai n LEU 138 Ca 0.12 -0.19 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 1yai n LEU 138 Cb 0.44 -2.19 0.00 0.00 -2.33 0.00 0.00 43.42 39.34 1yai n LEU 138 CO 0.52 0.08 0.00 0.61 -1.33 0.00 0.00 177.39 177.27 1yai n GLY 139 N -1.08 0.56 2.06 -0.72 0.00 0.44 -3.54 105.19 102.91 1yai n GLY 139 Ca -0.06 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.94 1yai n GLY 139 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yai n GLY 140 N -2.04 0.53 0.21 -0.02 0.00 -0.99 -2.51 105.19 100.37 1yai n GLY 140 Ca 0.00 -0.96 -0.00 0.00 0.00 0.00 0.00 46.02 45.05 1yai n GLY 140 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1yai h GLY 141 N 0.00 0.22 0.00 -0.02 0.00 -1.57 -3.33 103.07 98.37 1yai h GLY 141 Ca -0.04 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.10 1yai h GLY 141 CO 0.06 0.17 0.00 0.61 0.00 0.00 0.00 176.54 177.38 1yai n GLY 142 N -0.41 1.44 3.60 4.60 0.00 -1.26 -0.46 105.19 112.71 1yai n GLY 142 Ca -0.01 -0.66 -0.36 0.00 0.00 0.00 0.00 46.02 44.99 1yai n GLY 142 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yai n ALA 143 N 7.36 -0.31 -2.64 4.61 0.00 -1.26 -4.71 120.51 123.56 1yai n ALA 143 Ca 0.00 -0.18 -0.39 0.00 0.00 0.00 0.00 53.44 52.87 1yai n ALA 143 Cb 0.00 -2.10 -0.08 0.00 0.00 0.00 0.00 19.45 17.28 1yai n ALA 143 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1yai s ARG 144 N -3.27 4.12 -0.13 0.00 0.52 -1.26 -0.99 118.95 117.93 1yai s ARG 144 Ca 0.73 0.25 0.13 0.00 -0.52 0.00 0.00 55.73 56.32 1yai s ARG 144 Cb -0.35 -3.60 -0.18 0.00 0.52 0.00 0.00 34.95 31.34 1yai s ARG 144 CO 0.51 -0.20 0.08 1.33 0.02 0.00 0.00 175.30 177.04 1yai n VAL 145 N 4.78 0.86 -3.78 3.52 0.24 -0.62 -4.80 118.33 118.52 1yai n VAL 145 Ca -0.06 -0.57 -0.13 0.00 -2.04 0.00 0.00 64.34 61.54 1yai n VAL 145 Cb 0.50 -0.54 -0.10 0.00 -1.47 0.00 0.00 33.84 32.24 1yai n VAL 145 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1yai s ALA 146 N -2.42 -0.67 0.05 2.33 0.00 -1.11 -0.83 121.76 119.11 1yai s ALA 146 Ca -0.07 0.51 -0.14 0.00 0.00 0.00 0.00 51.96 52.27 1yai s ALA 146 Cb 0.05 -0.21 0.02 0.00 0.00 0.00 0.00 23.12 22.98 1yai s ALA 146 CO 0.59 -0.19 0.31 0.00 0.00 0.00 0.00 175.76 176.46 1yai s GLY 148 N -2.19 -0.33 -0.20 0.00 0.00 -0.56 -0.88 107.32 103.16 1yai s GLY 148 Ca -0.03 0.87 -0.09 0.00 0.00 0.00 0.00 44.72 45.46 1yai s GLY 148 CO -0.05 0.61 0.11 0.14 0.00 0.00 0.00 173.10 173.91 1yai s VAL 149 N -0.96 5.13 -0.09 1.40 1.01 -1.26 -0.25 120.40 125.38 1yai s VAL 149 Ca -0.10 0.09 -0.30 0.00 0.00 0.00 0.00 61.98 61.67 1yai s VAL 149 Cb -0.03 -3.34 -0.02 0.00 0.00 0.00 0.00 36.38 32.99 1yai s VAL 149 CO 0.05 0.43 1.00 -0.63 0.00 0.00 0.00 175.10 175.96 1yai s ILE 150 N 0.51 4.80 0.00 2.22 1.01 0.27 -4.78 121.20 125.22 1yai s ILE 150 Ca 0.06 2.05 0.00 0.00 0.00 0.00 0.00 60.65 62.76 1yai s ILE 150 Cb -0.12 -4.31 0.00 0.00 0.01 0.00 0.00 42.46 38.03 1yai s ILE 150 CO 0.00 0.03 0.00 1.67 0.00 0.00 0.00 174.94 176.64