#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yai s ASP 2 N 0.00 1.75 -0.21 1.08 1.11 -1.26 -1.60 116.67 117.54 1yai s ASP 2 Ca 0.00 -0.75 -0.18 0.00 0.18 0.00 0.00 52.55 51.79 1yai s ASP 2 Cb 0.00 -0.04 0.06 0.00 1.07 0.00 0.00 42.92 44.00 1yai s ASP 2 CO 0.00 -0.16 0.55 -0.22 1.18 0.00 0.00 175.17 176.53 1yai s LEU 3 N -2.24 -0.16 -0.16 1.23 2.96 -0.49 -4.99 118.68 114.83 1yai s LEU 3 Ca 0.05 1.12 -0.03 0.00 -0.22 0.00 0.00 54.13 55.05 1yai s LEU 3 Cb -0.06 1.89 -0.02 0.00 0.50 0.00 0.00 46.19 48.50 1yai s LEU 3 CO 0.02 -0.19 -0.05 -0.89 -1.32 0.00 0.00 176.35 173.91 1yai s THR 4 N 0.44 3.68 -0.11 3.68 2.01 -1.26 -0.33 115.64 123.75 1yai s THR 4 Ca -0.01 -0.42 -0.00 0.00 0.31 0.00 0.00 61.69 61.56 1yai s THR 4 Cb -0.04 -2.62 -0.02 0.00 0.01 0.00 0.00 72.50 69.83 1yai s THR 4 CO -0.01 0.48 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.62 1yai s VAL 5 N 0.56 3.42 -0.17 3.82 1.01 -0.24 -4.79 120.40 124.02 1yai s VAL 5 Ca -0.04 -0.55 -0.19 0.00 0.00 0.00 0.00 61.98 61.21 1yai s VAL 5 Cb -0.15 -2.44 -0.03 0.00 0.00 0.00 0.00 36.38 33.76 1yai s VAL 5 CO 0.03 0.54 0.52 -0.75 0.00 0.00 0.00 175.10 175.43 1yai s LYS 6 N -0.02 4.24 -0.07 2.72 2.20 -1.26 -1.06 119.74 126.48 1yai s LYS 6 Ca -0.01 0.45 -0.04 0.00 -0.36 0.00 0.00 55.97 56.00 1yai s LYS 6 Cb -0.14 -3.53 -0.04 0.00 -1.51 0.00 0.00 37.83 32.62 1yai s LYS 6 CO 0.03 -0.07 0.11 -1.64 -0.36 0.00 0.00 175.35 173.43 1yai s MET 7 N 1.36 3.29 -0.03 4.03 -1.94 0.18 -4.40 119.30 121.79 1yai s MET 7 Ca 0.25 -0.28 0.04 0.00 -1.71 0.00 0.00 55.69 53.99 1yai s MET 7 Cb -0.15 -3.04 -0.00 0.00 2.01 0.00 0.00 34.83 33.64 1yai s MET 7 CO 0.10 0.72 -0.14 0.99 -0.01 0.00 0.00 175.02 176.69 1yai s THR 8 N -1.08 1.11 -0.04 2.05 2.01 -0.12 -1.30 115.64 118.27 1yai s THR 8 Ca 0.18 -0.56 -0.30 0.00 0.31 0.00 0.00 61.69 61.32 1yai s THR 8 Cb -0.12 -0.95 -0.04 0.00 0.01 0.00 0.00 72.50 71.39 1yai s THR 8 CO 0.08 0.32 1.37 -0.62 -0.69 0.00 0.00 174.62 175.08 1yai s ASP 9 N -0.06 6.88 0.31 3.53 2.15 0.11 -1.55 116.67 128.04 1yai s ASP 9 Ca 0.00 2.01 0.04 0.00 0.43 0.00 0.00 52.55 55.03 1yai s ASP 9 Cb -0.08 -2.55 0.52 0.00 -0.30 0.00 0.00 42.92 40.50 1yai s ASP 9 CO 0.01 -0.72 1.80 -0.07 -0.17 0.00 0.00 175.17 176.02 1yai h LEU 10 N 8.71 0.48 0.06 -1.34 4.07 -1.15 0.10 115.31 126.25 1yai h LEU 10 Ca -0.36 -0.12 -0.00 0.00 0.08 0.00 0.00 57.88 57.48 1yai h LEU 10 Cb 1.16 -0.13 0.00 0.00 1.08 0.00 0.00 40.66 42.78 1yai h LEU 10 CO 0.91 0.64 -0.03 -0.61 -1.08 0.00 0.00 178.44 178.27 1yai h GLN 11 N 0.46 -0.08 0.00 1.13 5.75 -1.91 -3.38 115.11 117.08 1yai h GLN 11 Ca 0.09 0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.59 1yai h GLN 11 Cb 0.49 0.02 0.00 0.00 1.07 0.00 0.00 27.48 29.06 1yai h GLN 11 CO 0.03 0.43 -1.63 0.25 -2.65 0.00 0.00 178.83 175.26 1yai n THR 12 N -4.87 0.00 -0.27 2.39 -2.24 -1.24 -4.95 114.28 103.10 1yai n THR 12 Ca -0.09 -0.34 0.00 0.00 -2.27 0.00 0.00 64.05 61.36 1yai n THR 12 Cb 0.28 0.32 0.00 0.00 -2.10 0.00 0.00 70.33 68.83 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 1.38 0.96 3.77 3.38 0.00 0.36 -5.03 105.19 110.01 1yai n GLY 13 Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 1yai n GLY 13 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1yai s LYS 14 N -0.55 4.31 0.26 1.61 2.20 -1.25 -4.66 119.74 121.66 1yai s LYS 14 Ca 0.00 1.74 -0.30 0.00 -0.36 0.00 0.00 55.97 57.05 1yai s LYS 14 Cb 0.00 -2.84 -0.10 0.00 -1.51 0.00 0.00 37.83 33.39 1yai s LYS 14 CO 0.00 -0.06 1.32 -1.25 -0.36 0.00 0.00 175.35 175.00 1yai s PRO 15 N -2.03 4.37 0.00 4.03 0.04 -1.26 0.05 135.00 140.20 1yai s PRO 15 Ca 0.52 2.14 0.12 0.00 0.04 0.00 0.00 61.00 63.83 1yai s PRO 15 Cb -0.29 -3.13 0.02 0.00 0.04 0.00 0.00 34.50 31.13 1yai s PRO 15 CO 0.36 -0.23 0.75 1.33 0.04 0.00 0.00 177.00 179.25 1yai n VAL 16 N 1.85 0.00 0.00 -0.36 0.24 -0.42 -4.82 118.33 114.82 1yai n VAL 16 Ca 0.04 -0.40 0.00 0.00 -2.04 0.00 0.00 64.34 61.94 1yai n VAL 16 Cb 0.42 1.17 0.00 0.00 -1.47 0.00 0.00 33.84 33.96 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 0.94 0.89 3.34 7.63 0.00 -1.22 -1.19 105.19 115.57 1yai n GLY 17 Ca 0.05 -1.95 -0.18 0.00 0.00 0.00 0.00 46.02 43.94 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 -2.42 1.37 -0.06 2.61 -4.23 -0.90 -0.64 115.64 111.36 1yai s THR 18 Ca 0.00 -2.10 0.02 0.00 -1.18 0.00 0.00 61.69 58.43 1yai s THR 18 Cb 0.00 -2.20 0.02 0.00 1.34 0.00 0.00 72.50 71.66 1yai s THR 18 CO 0.00 -0.47 -0.10 -0.63 -0.54 0.00 0.00 174.62 172.89 1yai s ILE 19 N -3.20 0.95 -0.20 2.99 1.01 -0.22 -1.00 121.20 121.53 1yai s ILE 19 Ca 0.25 -0.36 -0.12 0.00 0.00 0.00 0.00 60.65 60.42 1yai s ILE 19 Cb 0.03 -0.90 -0.05 0.00 0.01 0.00 0.00 42.46 41.55 1yai s ILE 19 CO 0.07 0.32 0.21 -0.70 0.00 0.00 0.00 174.94 174.84 1yai s GLU 20 N 0.81 4.18 -0.18 2.79 -6.30 0.11 -1.08 118.70 119.04 1yai s GLU 20 Ca -0.12 -0.11 -0.06 0.00 -2.50 0.00 0.00 54.97 52.19 1yai s GLU 20 Cb -0.15 -3.46 -0.03 0.00 0.00 0.00 0.00 34.13 30.49 1yai s GLU 20 CO 0.02 0.20 0.01 -0.51 0.02 0.00 0.00 175.26 175.00 1yai s LEU 21 N 0.63 3.46 -0.00 2.70 1.02 0.55 -0.23 118.68 126.81 1yai s LEU 21 Ca 0.11 -0.08 0.04 0.00 0.02 0.00 0.00 54.13 54.23 1yai s LEU 21 Cb -0.12 -1.87 -0.01 0.00 0.02 0.00 0.00 46.19 44.21 1yai s LEU 21 CO 0.02 0.13 -0.13 -0.44 0.02 0.00 0.00 176.35 175.95 1yai s SER 22 N 0.60 1.56 -0.13 2.29 0.01 -0.49 -1.40 113.70 116.14 1yai s SER 22 Ca 0.00 -0.27 -0.24 0.00 1.31 0.00 0.00 55.95 56.75 1yai s SER 22 Cb -0.14 -0.16 -0.02 0.00 0.21 0.00 0.00 66.02 65.90 1yai s SER 22 CO 0.02 0.15 0.77 -1.58 0.41 0.00 0.00 173.24 173.00 1yai s GLN 23 N -0.42 4.35 0.28 12.44 2.00 -0.63 -1.42 119.66 136.26 1yai s GLN 23 Ca 0.05 0.94 0.04 0.00 -2.00 0.00 0.00 55.36 54.39 1yai s GLN 23 Cb -0.05 -3.52 -0.06 0.00 0.80 0.00 0.00 33.01 30.18 1yai s GLN 23 CO -0.00 -0.16 0.01 1.21 -0.50 0.00 0.00 175.29 175.85 1yai s ASN 24 N 1.03 2.20 0.52 6.67 3.84 0.46 -4.97 114.94 124.68 1yai s ASN 24 Ca 0.38 -1.28 0.30 0.00 0.21 0.00 0.00 52.86 52.47 1yai s ASN 24 Cb -0.17 -0.06 1.34 0.00 -0.55 0.00 0.00 41.25 41.81 1yai s ASN 24 CO 0.15 -0.52 1.99 0.07 -2.79 0.00 0.00 177.10 176.00 1yai h LYS 25 N 2.30 0.00 -0.02 0.43 2.10 -2.02 -2.58 116.57 116.78 1yai h LYS 25 Ca -0.40 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.25 1yai h LYS 25 Cb 1.23 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.56 1yai h LYS 25 CO 0.67 0.09 -0.15 0.66 -2.00 0.00 0.00 179.45 178.72 1yai n TYR 26 N -3.29 0.00 -0.86 0.07 4.01 -1.26 -5.06 117.16 110.76 1yai n TYR 26 Ca -0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1yai n TYR 26 Cb 0.31 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.32 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 1.33 0.61 3.72 2.72 0.00 -0.97 -4.09 105.19 108.52 1yai n GLY 27 Ca 0.14 -1.73 -0.36 0.00 0.00 0.00 0.00 46.02 44.06 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 -2.77 5.31 -0.19 1.61 1.01 -0.41 -0.40 120.40 124.55 1yai s VAL 28 Ca 0.00 0.53 -0.09 0.00 0.00 0.00 0.00 61.98 62.42 1yai s VAL 28 Cb 0.00 -3.63 -0.05 0.00 0.00 0.00 0.00 36.38 32.71 1yai s VAL 28 CO 0.00 0.39 0.10 -0.69 0.00 0.00 0.00 175.10 174.90 1yai s VAL 29 N 0.51 5.17 -0.31 2.92 1.01 -0.51 -0.30 120.40 128.89 1yai s VAL 29 Ca 0.16 0.10 -0.09 0.00 0.00 0.00 0.00 61.98 62.15 1yai s VAL 29 Cb -0.13 -3.35 0.00 0.00 0.00 0.00 0.00 36.38 32.91 1yai s VAL 29 CO 0.04 0.45 0.13 -0.36 0.00 0.00 0.00 175.10 175.36 1yai s PHE 30 N 0.34 3.17 -0.37 5.22 0.40 0.64 -1.40 117.98 125.98 1yai s PHE 30 Ca 0.06 -0.75 -0.06 0.00 -0.60 0.00 0.00 56.93 55.58 1yai s PHE 30 Cb -0.12 -2.33 0.07 0.00 0.51 0.00 0.00 43.02 41.15 1yai s PHE 30 CO -0.01 -0.52 0.16 0.99 0.70 0.00 0.00 175.22 176.55 1yai s THR 31 N 1.57 3.73 0.34 0.64 2.01 0.68 -1.74 115.64 122.86 1yai s THR 31 Ca 0.04 -1.44 -0.08 0.00 0.31 0.00 0.00 61.69 60.52 1yai s THR 31 Cb -0.17 -3.26 -0.06 0.00 0.01 0.00 0.00 72.50 69.02 1yai s THR 31 CO 0.05 -0.38 0.66 -2.16 -0.69 0.00 0.00 174.62 172.09 1yai s PRO 32 N 1.34 3.72 -0.40 4.92 0.04 -1.26 0.08 135.00 143.44 1yai s PRO 32 Ca 0.01 0.25 0.06 0.00 0.04 0.00 0.00 61.00 61.36 1yai s PRO 32 Cb -0.21 -2.53 0.20 0.00 0.04 0.00 0.00 34.50 32.00 1yai s PRO 32 CO 0.01 0.11 0.42 -1.91 0.04 0.00 0.00 177.00 175.66 1yai n GLU 33 N -1.03 0.40 -4.34 4.56 2.13 -0.17 -4.18 120.64 118.01 1yai n GLU 33 Ca 0.00 -3.18 -0.27 0.00 0.66 0.00 0.00 57.16 54.38 1yai n GLU 33 Cb 0.54 -1.48 -0.10 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 -0.45 2.74 0.25 4.31 1.02 -0.90 -2.11 118.68 123.53 1yai s LEU 34 Ca 0.34 -0.69 -0.07 0.00 0.02 0.00 0.00 54.13 53.73 1yai s LEU 34 Cb 0.09 -1.46 -0.02 0.00 0.02 0.00 0.00 46.19 44.83 1yai s LEU 34 CO -0.16 0.12 0.36 0.00 0.02 0.00 0.00 176.35 176.68 1yai s ALA 35 N -1.63 0.41 -1.06 4.21 0.00 -0.34 -0.93 121.76 122.42 1yai s ALA 35 Ca 0.23 -1.27 0.00 0.00 0.00 0.00 0.00 51.96 50.92 1yai s ALA 35 Cb -0.09 1.20 0.00 0.00 0.00 0.00 0.00 23.12 24.23 1yai s ALA 35 CO 0.13 -0.75 0.00 -0.25 0.00 0.00 0.00 175.76 174.88 1yai n ASP 36 N -0.52 -4.27 -4.94 0.00 8.00 -0.59 -4.77 116.55 109.47 1yai n ASP 36 Ca 0.00 0.25 -0.22 0.00 0.71 0.00 0.00 54.79 55.53 1yai n ASP 36 Cb 0.63 -2.65 -0.03 0.00 -0.02 0.00 0.00 41.12 39.05 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 -2.28 4.22 0.17 0.64 1.43 -0.92 -5.07 118.68 116.88 1yai s LEU 37 Ca 0.00 0.03 -0.30 0.00 -1.03 0.00 0.00 54.13 52.83 1yai s LEU 37 Cb 0.00 -2.77 -0.08 0.00 0.03 0.00 0.00 46.19 43.37 1yai s LEU 37 CO 0.00 -0.04 1.11 0.42 0.23 0.00 0.00 176.35 178.08 1yai s THR 38 N -1.95 3.84 0.52 5.49 -4.23 -1.26 -4.15 115.64 113.90 1yai s THR 38 Ca 0.34 1.58 -0.21 0.00 -1.18 0.00 0.00 61.69 62.21 1yai s THR 38 Cb -0.09 -4.01 -0.07 0.00 1.34 0.00 0.00 72.50 69.67 1yai s THR 38 CO 0.28 0.26 1.08 -2.65 -0.54 0.00 0.00 174.62 173.05 1yai n PRO 39 N 2.44 1.29 0.00 3.99 -0.02 -1.26 -4.74 135.00 136.70 1yai n PRO 39 Ca 0.03 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 1yai n PRO 39 Cb 0.46 -2.23 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 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 1.11 0.41 3.77 -1.23 0.00 -0.30 -4.94 105.19 104.02 1yai n GLY 40 Ca 0.11 -2.28 -0.37 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 -0.36 4.12 -0.01 1.61 -1.94 -1.26 -0.42 119.30 121.04 1yai s MET 41 Ca 0.00 0.28 0.06 0.00 -1.71 0.00 0.00 55.69 54.33 1yai s MET 41 Cb 0.00 -3.35 -0.02 0.00 2.01 0.00 0.00 34.83 33.47 1yai s MET 41 CO 0.00 0.39 -0.21 -1.01 -0.01 0.00 0.00 175.02 174.19 1yai s HIS 42 N -0.07 1.84 0.30 -0.03 3.76 0.03 -3.69 115.29 117.42 1yai s HIS 42 Ca 0.21 -0.35 -0.29 0.00 -0.15 0.00 0.00 55.06 54.48 1yai s HIS 42 Cb -0.15 -1.18 -0.11 0.00 1.11 0.00 0.00 32.58 32.26 1yai s HIS 42 CO 0.09 -0.02 1.45 0.20 -0.85 0.00 0.00 174.74 175.60 1yai s GLY 43 N -0.53 2.55 -0.11 -2.22 0.00 0.77 -0.95 107.32 106.83 1yai s GLY 43 Ca 0.08 1.41 -0.03 0.00 0.00 0.00 0.00 44.72 46.18 1yai s GLY 43 CO -0.01 2.25 0.05 -0.12 0.00 0.00 0.00 173.10 175.27 1yai s PHE 44 N -0.47 0.42 0.07 1.90 5.36 -1.26 -0.78 117.98 123.21 1yai s PHE 44 Ca 0.56 -0.21 -0.11 0.00 -0.96 0.00 0.00 56.93 56.21 1yai s PHE 44 Cb -0.43 -0.72 0.01 0.00 -0.34 0.00 0.00 43.02 41.54 1yai s PHE 44 CO 0.50 -0.39 0.25 -1.01 -1.46 0.00 0.00 175.22 173.11 1yai s HIS 45 N 2.06 0.01 -0.13 10.12 3.76 -0.77 -2.64 115.29 127.69 1yai s HIS 45 Ca 0.03 -0.28 -0.16 0.00 -0.15 0.00 0.00 55.06 54.49 1yai s HIS 45 Cb -0.14 0.03 -0.04 0.00 1.11 0.00 0.00 32.58 33.54 1yai s HIS 45 CO -0.06 -0.52 0.41 0.42 -0.85 0.00 0.00 174.74 174.13 1yai s ILE 46 N -3.12 5.23 0.20 0.60 -1.09 0.08 -0.85 121.20 122.25 1yai s ILE 46 Ca -0.01 0.80 0.05 0.00 -2.23 0.00 0.00 60.65 59.26 1yai s ILE 46 Cb 0.01 -3.75 -0.03 0.00 -1.58 0.00 0.00 42.46 37.11 1yai s ILE 46 CO -0.07 0.35 0.26 -1.00 -1.23 0.00 0.00 174.94 173.25 1yai s HIS 47 N 0.56 3.32 0.10 3.97 3.76 0.97 -0.15 115.29 127.83 1yai s HIS 47 Ca 0.22 -0.00 -0.32 0.00 -0.15 0.00 0.00 55.06 54.82 1yai s HIS 47 Cb -0.14 -1.55 -0.13 0.00 1.11 0.00 0.00 32.58 31.87 1yai s HIS 47 CO 0.08 0.50 1.60 1.96 -0.85 0.00 0.00 174.74 178.02 1yai h GLN 48 N 1.77 -0.74 -6.38 1.40 4.20 -0.69 -3.08 115.11 111.59 1yai h GLN 48 Ca -0.49 0.05 -0.55 0.00 0.06 0.00 0.00 58.65 57.72 1yai h GLN 48 Cb 1.22 0.17 -0.03 0.00 0.30 0.00 0.00 27.48 29.13 1yai h GLN 48 CO 0.64 -0.49 -0.12 -0.80 -0.67 0.00 0.00 178.83 177.38 1yai s ASN 49 N -4.57 6.67 -1.35 1.46 0.01 0.28 -4.66 114.94 112.77 1yai s ASN 49 Ca -0.17 0.93 -0.12 0.00 -0.71 0.00 0.00 52.86 52.80 1yai s ASN 49 Cb 0.06 -2.23 0.12 0.00 0.41 0.00 0.00 41.25 39.60 1yai s ASN 49 CO 0.63 -0.01 1.99 0.61 -1.51 0.00 0.00 177.10 178.80 1yai n GLY 50 N 0.15 4.52 3.60 0.66 0.00 -0.96 -2.99 105.19 110.17 1yai n GLY 50 Ca -0.01 -1.88 -0.12 0.00 0.00 0.00 0.00 46.02 44.00 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 1.92 -0.52 -0.05 1.61 0.15 -1.26 -4.95 113.70 110.61 1yai s SER 51 Ca 0.43 0.81 0.12 0.00 0.70 0.00 0.00 55.95 58.01 1yai s SER 51 Cb 0.11 0.76 0.37 0.00 -1.71 0.00 0.00 66.02 65.54 1yai s SER 51 CO -0.03 -0.30 1.30 0.00 1.20 0.00 0.00 173.24 175.41 1yai s ALA 53 N -1.49 0.74 0.73 0.00 0.00 -1.26 -3.65 121.76 116.83 1yai s ALA 53 Ca 0.28 -0.26 -0.10 0.00 0.00 0.00 0.00 51.96 51.89 1yai s ALA 53 Cb 0.18 -3.16 0.05 0.00 0.00 0.00 0.00 23.12 20.19 1yai s ALA 53 CO 0.14 -2.99 1.08 -1.12 0.00 0.00 0.00 175.76 172.87 1yai s SER 54 N -3.24 4.91 0.19 0.00 0.01 -1.26 -1.00 113.70 113.31 1yai s SER 54 Ca 0.66 0.75 -0.08 0.00 1.31 0.00 0.00 55.95 58.59 1yai s SER 54 Cb -0.20 -1.41 -0.02 0.00 0.21 0.00 0.00 66.02 64.61 1yai s SER 54 CO 0.59 -1.60 0.29 -0.94 0.41 0.00 0.00 173.24 171.98 1yai s SER 55 N -4.49 0.05 0.08 2.44 1.04 -0.95 -3.92 113.70 107.95 1yai s SER 55 Ca 0.60 -1.03 0.09 0.00 0.48 0.00 0.00 55.95 56.09 1yai s SER 55 Cb -0.11 0.46 -0.03 0.00 0.10 0.00 0.00 66.02 66.43 1yai s SER 55 CO 0.48 -0.94 -0.23 -1.83 0.98 0.00 0.00 173.24 171.70 1yai s GLU 56 N -4.03 1.78 -0.07 4.02 4.04 -1.26 -0.45 118.70 122.73 1yai s GLU 56 Ca 0.24 -1.14 -0.03 0.00 0.04 0.00 0.00 54.97 54.08 1yai s GLU 56 Cb 0.03 -2.05 0.04 0.00 0.02 0.00 0.00 34.13 32.17 1yai s GLU 56 CO 0.05 0.50 0.07 -1.59 -1.84 0.00 0.00 175.26 172.45 1yai s LYS 57 N -1.66 -0.05 -1.38 -4.83 -2.85 -0.41 -4.84 119.74 103.72 1yai s LYS 57 Ca 0.14 0.29 -0.06 0.00 -1.00 0.00 0.00 55.97 55.35 1yai s LYS 57 Cb -0.10 -0.76 0.03 0.00 -2.06 0.00 0.00 37.83 34.94 1yai s LYS 57 CO 0.05 -0.40 0.91 -0.25 0.10 0.00 0.00 175.35 175.77 1yai n ASP 58 N 5.30 -3.34 -0.14 0.03 8.00 -1.26 -1.16 116.55 123.98 1yai n ASP 58 Ca -0.04 -0.74 -0.02 0.00 0.71 0.00 0.00 54.79 54.71 1yai n ASP 58 Cb 0.50 -4.29 -0.01 0.00 -0.02 0.00 0.00 41.12 37.30 1yai n ASP 58 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1yai n GLY 59 N -1.63 0.31 3.72 0.44 0.00 -1.26 -4.99 105.19 101.78 1yai n GLY 59 Ca -0.13 -0.04 -0.31 0.00 0.00 0.00 0.00 46.02 45.54 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 -1.63 2.72 -0.08 1.61 -0.14 -0.31 -5.10 119.74 116.81 1yai s LYS 60 Ca 0.00 -0.74 -0.24 0.00 -1.36 0.00 0.00 55.97 53.64 1yai s LYS 60 Cb 0.00 -2.64 -0.03 0.00 -1.68 0.00 0.00 37.83 33.48 1yai s LYS 60 CO 0.00 0.57 0.72 0.08 -0.76 0.00 0.00 175.35 175.96 1yai s VAL 61 N -1.29 5.02 -0.32 3.17 1.01 -1.26 -1.29 120.40 125.44 1yai s VAL 61 Ca 0.26 1.47 -0.01 0.00 0.00 0.00 0.00 61.98 63.70 1yai s VAL 61 Cb -0.12 -4.06 0.07 0.00 0.00 0.00 0.00 36.38 32.27 1yai s VAL 61 CO 0.18 0.22 0.03 0.54 0.00 0.00 0.00 175.10 176.07 1yai s VAL 62 N 1.01 2.86 0.25 2.92 0.11 0.40 -4.96 120.40 122.99 1yai s VAL 62 Ca 0.38 -1.65 -0.31 0.00 -2.93 0.00 0.00 61.98 57.46 1yai s VAL 62 Cb -0.18 -2.76 -0.11 0.00 -1.53 0.00 0.00 36.38 31.80 1yai s VAL 62 CO 0.17 -0.26 1.62 -0.76 -3.33 0.00 0.00 175.10 172.54 1yai s LEU 63 N 1.17 4.36 0.00 2.54 1.02 -1.26 -1.17 118.68 125.34 1yai s LEU 63 Ca -0.01 2.87 0.00 0.00 0.02 0.00 0.00 54.13 57.01 1yai s LEU 63 Cb -0.20 -3.62 0.00 0.00 0.02 0.00 0.00 46.19 42.39 1yai s LEU 63 CO -0.03 -0.91 0.00 0.61 0.02 0.00 0.00 176.35 176.04 1yai n GLY 64 N 2.89 0.29 0.23 -3.19 0.00 -1.16 -4.58 105.19 99.67 1yai n GLY 64 Ca 0.11 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.19 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 -0.83 -2.30 103.07 101.92 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 h ALA 66 N 1.86 1.00 0.00 3.60 0.00 -1.18 -1.57 119.26 122.97 1yai h ALA 66 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1yai h ALA 66 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1yai h ALA 66 CO 0.02 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.27 1yai h ALA 67 N 2.03 1.00 -0.40 0.00 0.00 -1.24 -3.43 119.26 117.23 1yai h ALA 67 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1yai h ALA 67 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1yai h ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1yai n GLY 68 N -0.26 -1.13 0.00 0.00 0.00 -0.59 -0.56 105.19 102.65 1yai n GLY 68 Ca 0.00 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.81 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 -1.03 3.77 -0.02 0.00 -1.26 -4.64 105.19 102.00 1yai n GLY 69 Ca 0.00 -1.67 -0.40 0.00 0.00 0.00 0.00 46.02 43.95 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 -0.83 3.14 -0.13 1.61 3.76 -1.26 -0.50 115.29 121.07 1yai s HIS 70 Ca 0.00 1.50 -0.32 0.00 -0.15 0.00 0.00 55.06 56.09 1yai s HIS 70 Cb 0.00 -3.55 -0.10 0.00 1.11 0.00 0.00 32.58 30.04 1yai s HIS 70 CO 0.00 -1.51 2.02 0.98 -0.85 0.00 0.00 174.74 175.37 1yai n TYR 71 N 0.69 2.19 -3.08 1.40 9.36 0.79 -4.38 117.16 124.14 1yai n TYR 71 Ca 0.01 -0.06 -0.20 0.00 3.32 0.00 0.00 57.90 60.97 1yai n TYR 71 Cb 0.43 -2.69 -0.04 0.00 -0.63 0.00 0.00 39.34 36.42 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 8.35 -0.57 0.23 2.98 2.03 -1.26 -1.44 116.55 126.87 1yai n ASP 72 Ca 0.26 -2.87 0.16 0.00 0.52 0.00 0.00 54.79 52.87 1yai n ASP 72 Cb 0.34 -0.01 0.77 0.00 -0.72 0.00 0.00 41.12 41.50 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 3.94 0.00 -0.65 -0.67 0.13 -1.96 -0.62 132.00 132.16 1yai h PRO 73 Ca 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 1yai h PRO 73 Cb 0.92 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.05 1yai h PRO 73 CO 0.43 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.59 1yai n GLU 74 N -2.66 2.64 -3.82 0.86 1.02 -1.26 -4.96 120.64 112.46 1yai n GLU 74 Ca -0.01 -2.54 -0.24 0.00 -0.02 0.00 0.00 57.16 54.36 1yai n GLU 74 Cb 0.14 -1.55 0.01 0.00 -0.02 0.00 0.00 31.44 30.01 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 1.60 -1.83 0.17 -0.32 8.25 -0.24 -4.87 115.22 117.97 1yai n HIS 75 Ca 0.23 0.81 0.08 0.00 -0.26 0.00 0.00 57.72 58.58 1yai n HIS 75 Cb 0.61 -4.08 0.08 0.00 1.12 0.00 0.00 29.99 27.72 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 -1.86 0.35 -3.05 1.59 1.35 -1.90 -3.47 112.91 105.92 1yai h THR 76 Ca -0.62 -1.52 -0.25 0.00 -0.55 0.00 0.00 66.41 63.48 1yai h THR 76 Cb 1.37 2.11 -0.04 0.00 -1.73 0.00 0.00 68.15 69.86 1yai h THR 76 CO 0.60 0.20 -0.29 0.59 -0.25 0.00 0.00 175.52 176.37 1yai n ASN 77 N -3.09 -3.68 -4.09 5.36 3.02 -1.26 -4.92 115.26 106.61 1yai n ASN 77 Ca 0.02 0.23 -0.17 0.00 -0.03 0.00 0.00 54.58 54.63 1yai n ASN 77 Cb 0.63 -3.23 -0.13 0.00 -0.61 0.00 0.00 39.78 36.44 1yai n ASN 77 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1yai s LYS 78 N -4.38 0.70 -0.14 3.52 1.02 -1.26 -5.03 119.74 114.16 1yai s LYS 78 Ca 0.00 -0.68 -0.12 0.00 0.02 0.00 0.00 55.97 55.20 1yai s LYS 78 Cb 0.00 -0.63 -0.05 0.00 -0.52 0.00 0.00 37.83 36.63 1yai s LYS 78 CO 0.00 0.15 0.24 -1.58 -0.92 0.00 0.00 175.35 173.24 1yai s HIS 79 N -0.93 3.51 0.00 3.18 5.65 -1.26 -0.23 115.29 125.21 1yai s HIS 79 Ca -0.02 0.57 0.00 0.00 0.25 0.00 0.00 55.06 55.85 1yai s HIS 79 Cb -0.08 -2.21 0.00 0.00 -1.18 0.00 0.00 32.58 29.11 1yai s HIS 79 CO 0.01 0.40 0.00 0.41 -0.65 0.00 0.00 174.74 174.91 1yai n GLY 80 N 2.94 3.97 3.92 1.59 0.00 -1.26 -4.17 105.19 112.18 1yai n GLY 80 Ca -0.15 -0.39 -0.26 0.00 0.00 0.00 0.00 46.02 45.22 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 0.01 3.32 -0.62 1.61 0.08 -1.26 -4.57 117.98 116.56 1yai s PHE 81 Ca 0.00 0.59 0.24 0.00 0.12 0.00 0.00 56.93 57.88 1yai s PHE 81 Cb 0.00 -2.53 0.92 0.00 -0.57 0.00 0.00 43.02 40.83 1yai s PHE 81 CO 0.00 -0.58 1.72 -2.30 -0.10 0.00 0.00 175.22 173.96 1yai n PRO 82 N -2.39 0.19 -0.15 0.24 -0.02 -1.25 -3.30 135.00 128.32 1yai n PRO 82 Ca 0.03 0.33 0.05 0.00 -2.02 0.00 0.00 63.50 61.89 1yai n PRO 82 Cb 0.57 -1.81 0.13 0.00 -0.02 0.00 0.00 33.50 32.37 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 -2.16 0.39 -4.72 6.00 2.14 -1.26 -4.29 117.44 113.55 1yai n TRP 83 Ca 0.03 -0.48 -0.31 0.00 2.07 0.00 0.00 57.50 58.81 1yai n TRP 83 Cb 0.29 -0.03 -0.13 0.00 -0.81 0.00 0.00 31.31 30.63 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 -0.99 2.93 -0.26 -1.67 -4.23 -1.21 -5.05 115.64 105.16 1yai s THR 84 Ca 0.20 -1.02 0.23 0.00 -1.18 0.00 0.00 61.69 59.91 1yai s THR 84 Cb 0.10 -2.21 0.04 0.00 1.34 0.00 0.00 72.50 71.77 1yai s THR 84 CO 0.14 0.41 1.11 0.44 -0.54 0.00 0.00 174.62 176.18 1yai h ASP 85 N 4.76 0.00 0.00 3.99 3.32 -1.94 -3.36 116.42 123.18 1yai h ASP 85 Ca -0.47 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.58 1yai h ASP 85 Cb 1.15 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.70 1yai h ASP 85 CO 0.49 0.00 0.00 -0.67 -1.72 0.00 0.00 179.24 177.34 1yai n ASP 86 N -2.72 0.99 -3.41 6.45 2.03 -1.26 -4.84 116.55 113.78 1yai n ASP 86 Ca 0.00 -1.77 -0.13 0.00 0.52 0.00 0.00 54.79 53.41 1yai n ASP 86 Cb 0.55 -0.44 -0.04 0.00 -0.72 0.00 0.00 41.12 40.46 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 -0.05 0.68 -0.15 1.67 2.20 -1.26 -4.63 114.94 113.40 1yai s ASN 87 Ca 0.00 -1.38 -0.41 0.00 -0.94 0.00 0.00 52.86 50.13 1yai s ASN 87 Cb 0.00 0.64 -0.18 0.00 -2.00 0.00 0.00 41.25 39.71 1yai s ASN 87 CO 0.00 -1.26 1.39 1.41 -2.94 0.00 0.00 177.10 175.70 1yai n HIS 88 N -0.52 1.38 0.28 1.54 8.25 0.68 -4.83 115.22 122.01 1yai n HIS 88 Ca 0.00 0.88 0.16 0.00 -0.26 0.00 0.00 57.72 58.51 1yai n HIS 88 Cb 0.62 -2.25 0.82 0.00 1.12 0.00 0.00 29.99 30.30 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 4.63 0.00 -0.09 -0.41 3.64 -1.82 -2.57 116.57 119.95 1yai h LYS 89 Ca -0.48 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 1yai h LYS 89 Cb 1.37 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.19 1yai h LYS 89 CO 0.82 0.06 0.00 0.41 -2.27 0.00 0.00 179.45 178.47 1yai n GLY 90 N -0.51 -0.41 3.57 5.01 0.00 -0.52 -4.82 105.19 107.52 1yai n GLY 90 Ca -0.01 -0.22 -0.42 0.00 0.00 0.00 0.00 46.02 45.37 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 -1.42 6.18 0.42 1.61 1.01 -0.97 -0.75 116.67 122.76 1yai s ASP 91 Ca 0.24 0.21 0.01 0.00 0.71 0.00 0.00 52.55 53.72 1yai s ASP 91 Cb 0.12 -2.55 -0.01 0.00 1.01 0.00 0.00 42.92 41.49 1yai s ASP 91 CO 0.19 -1.68 0.63 -0.76 0.21 0.00 0.00 175.17 173.76 1yai s LEU 92 N 5.86 3.74 0.55 1.23 1.43 -1.08 -3.78 118.68 126.63 1yai s LEU 92 Ca 0.50 0.28 -0.21 0.00 -1.03 0.00 0.00 54.13 53.67 1yai s LEU 92 Cb -0.10 -3.16 -0.05 0.00 0.03 0.00 0.00 46.19 42.91 1yai s LEU 92 CO 0.24 -0.60 1.28 -2.84 0.23 0.00 0.00 176.35 174.66 1yai s PRO 93 N -4.48 3.18 0.64 1.29 0.02 -1.26 -4.67 135.00 129.71 1yai s PRO 93 Ca 0.46 2.03 -0.18 0.00 0.02 0.00 0.00 61.00 63.34 1yai s PRO 93 Cb -0.10 -2.18 -0.02 0.00 0.02 0.00 0.00 34.50 32.23 1yai s PRO 93 CO 0.37 -1.10 1.28 0.00 -0.33 0.00 0.00 177.00 177.22 1yai s ALA 94 N -1.42 2.41 -0.24 -1.55 0.00 -1.26 -4.58 121.76 115.12 1yai s ALA 94 Ca 0.72 1.17 -0.14 0.00 0.00 0.00 0.00 51.96 53.71 1yai s ALA 94 Cb -0.35 -3.53 -0.04 0.00 0.00 0.00 0.00 23.12 19.19 1yai s ALA 94 CO 0.41 -1.50 0.34 -1.17 0.00 0.00 0.00 175.76 173.83 1yai s LEU 95 N -4.30 4.10 -0.04 0.00 2.96 -0.12 -4.85 118.68 116.43 1yai s LEU 95 Ca 0.82 0.34 -0.23 0.00 -0.22 0.00 0.00 54.13 54.84 1yai s LEU 95 Cb -0.36 -2.39 -0.04 0.00 0.50 0.00 0.00 46.19 43.89 1yai s LEU 95 CO 0.38 -0.09 0.68 0.12 -1.32 0.00 0.00 176.35 176.13 1yai s PHE 96 N 1.55 3.62 -0.11 5.38 5.36 -1.26 -0.79 117.98 131.73 1yai s PHE 96 Ca 0.15 1.27 0.03 0.00 -0.96 0.00 0.00 56.93 57.42 1yai s PHE 96 Cb -0.15 -2.76 0.01 0.00 -0.34 0.00 0.00 43.02 39.77 1yai s PHE 96 CO 0.08 0.17 -0.22 0.14 -1.46 0.00 0.00 175.22 173.93 1yai s VAL 97 N 0.46 1.97 0.99 3.12 -7.23 0.44 -4.39 120.40 115.75 1yai s VAL 97 Ca 0.36 -0.95 -0.15 0.00 -1.81 0.00 0.00 61.98 59.43 1yai s VAL 97 Cb -0.18 -1.72 0.19 0.00 0.56 0.00 0.00 36.38 35.22 1yai s VAL 97 CO 0.19 0.54 1.17 -0.94 -0.31 0.00 0.00 175.10 175.74 1yai s SER 98 N 0.56 2.83 0.64 4.85 1.04 -0.06 -1.15 113.70 122.40 1yai s SER 98 Ca -0.14 0.73 0.31 0.00 0.48 0.00 0.00 55.95 57.33 1yai s SER 98 Cb -0.17 -1.11 1.69 0.00 0.10 0.00 0.00 66.02 66.53 1yai s SER 98 CO 0.04 -2.95 1.99 0.00 0.98 0.00 0.00 173.24 173.30 1yai h ALA 99 N -1.78 1.56 -0.60 5.32 0.00 -1.97 0.23 119.26 122.01 1yai h ALA 99 Ca -0.48 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1yai h ALA 99 Cb 1.30 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1yai h ALA 99 CO 0.50 -0.37 0.00 0.27 0.00 0.00 0.00 179.25 179.65 1yai n ASN 100 N -3.24 4.07 -0.13 0.00 6.94 -1.26 -4.86 115.26 116.77 1yai n ASN 100 Ca 0.01 -2.28 -0.02 0.00 -0.02 0.00 0.00 54.58 52.27 1yai n ASN 100 Cb 0.40 -0.51 -0.01 0.00 -2.36 0.00 0.00 39.78 37.29 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 1.20 0.53 3.79 4.83 0.00 0.80 -4.71 105.19 111.64 1yai n GLY 101 Ca 0.23 -0.55 -0.32 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.39 3.90 -0.26 0.99 1.02 -1.25 -1.54 118.68 121.16 1yai s LEU 102 Ca 0.00 0.12 0.01 0.00 0.02 0.00 0.00 54.13 54.28 1yai s LEU 102 Cb 0.00 -2.34 0.05 0.00 0.02 0.00 0.00 46.19 43.92 1yai s LEU 102 CO 0.00 0.25 -0.08 0.00 0.02 0.00 0.00 176.35 176.54 1yai s ALA 103 N -1.24 2.63 0.00 4.21 0.00 -0.11 -0.89 121.76 126.36 1yai s ALA 103 Ca 0.24 -1.64 0.00 0.00 0.00 0.00 0.00 51.96 50.57 1yai s ALA 103 Cb -0.12 -1.64 0.00 0.00 0.00 0.00 0.00 23.12 21.36 1yai s ALA 103 CO 0.16 -1.03 0.33 0.25 0.00 0.00 0.00 175.76 175.47 1yai n THR 104 N 4.55 0.09 -2.97 0.00 -2.24 -1.26 -2.12 114.28 110.33 1yai n THR 104 Ca -0.15 -0.14 -0.42 0.00 -2.27 0.00 0.00 64.05 61.07 1yai n THR 104 Cb 0.44 1.38 -0.05 0.00 -2.10 0.00 0.00 70.33 70.00 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 -0.09 6.62 0.61 3.42 2.47 -1.26 -4.66 114.94 122.05 1yai s ASN 105 Ca 0.00 0.59 -0.15 0.00 0.42 0.00 0.00 52.86 53.73 1yai s ASN 105 Cb 0.00 -2.39 -0.03 0.00 -1.45 0.00 0.00 41.25 37.38 1yai s ASN 105 CO 0.00 -0.60 1.06 -2.16 -3.72 0.00 0.00 177.10 171.68 1yai s PRO 106 N 2.91 3.25 0.09 0.43 0.04 -1.26 -4.62 135.00 135.83 1yai s PRO 106 Ca 0.31 1.16 0.03 0.00 0.04 0.00 0.00 61.00 62.54 1yai s PRO 106 Cb -0.14 -2.02 -0.04 0.00 0.04 0.00 0.00 34.50 32.34 1yai s PRO 106 CO 0.13 -0.86 -0.09 0.14 0.04 0.00 0.00 177.00 176.36 1yai s VAL 107 N -2.56 0.81 -0.06 -0.36 -7.23 -0.71 -4.98 120.40 105.31 1yai s VAL 107 Ca 0.63 -1.67 0.04 0.00 -1.81 0.00 0.00 61.98 59.17 1yai s VAL 107 Cb -0.16 -1.37 -0.02 0.00 0.56 0.00 0.00 36.38 35.39 1yai s VAL 107 CO 0.40 -0.64 -0.18 -0.22 -0.31 0.00 0.00 175.10 174.15 1yai s LEU 108 N -2.54 2.51 -0.41 1.32 2.96 -1.26 -0.26 118.68 121.00 1yai s LEU 108 Ca 0.06 -0.31 0.02 0.00 -0.22 0.00 0.00 54.13 53.67 1yai s LEU 108 Cb -0.01 -1.50 0.11 0.00 0.50 0.00 0.00 46.19 45.29 1yai s LEU 108 CO -0.01 0.30 0.15 0.00 -1.32 0.00 0.00 176.35 175.46 1yai s ALA 109 N -0.45 3.08 0.33 5.97 0.00 0.59 -4.64 121.76 126.63 1yai s ALA 109 Ca 0.05 -2.73 0.33 0.00 0.00 0.00 0.00 51.96 49.60 1yai s ALA 109 Cb -0.12 -2.15 1.55 0.00 0.00 0.00 0.00 23.12 22.41 1yai s ALA 109 CO 0.02 -1.81 2.07 -1.00 0.00 0.00 0.00 175.76 175.04 1yai h PRO 110 N 7.44 0.00 -0.01 0.00 0.13 -1.77 -1.07 132.00 136.71 1yai h PRO 110 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 1yai h PRO 110 Cb 1.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.13 1yai h PRO 110 CO 0.60 0.07 -0.19 0.54 -0.23 0.00 0.00 178.00 178.80 1yai n ARG 111 N -3.32 1.37 -4.15 0.86 1.74 -1.26 -4.57 116.66 107.34 1yai n ARG 111 Ca -0.01 -0.94 -0.24 0.00 -0.77 0.00 0.00 57.85 55.90 1yai n ARG 111 Cb 0.25 -1.48 -0.05 0.00 -1.02 0.00 0.00 32.46 30.16 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 -2.28 3.66 0.12 0.55 1.43 -1.17 -5.08 118.68 115.93 1yai s LEU 112 Ca 0.28 -0.30 0.10 0.00 -1.03 0.00 0.00 54.13 53.17 1yai s LEU 112 Cb 0.20 -2.22 -0.04 0.00 0.03 0.00 0.00 46.19 44.16 1yai s LEU 112 CO 0.44 0.01 -0.23 0.42 0.23 0.00 0.00 176.35 177.22 1yai s THR 113 N -2.03 1.97 0.27 5.49 -4.23 -1.26 -3.79 115.64 112.05 1yai s THR 113 Ca 0.32 -1.69 -0.03 0.00 -1.18 0.00 0.00 61.69 59.10 1yai s THR 113 Cb -0.08 -1.79 0.20 0.00 1.34 0.00 0.00 72.50 72.17 1yai s THR 113 CO 0.23 -0.03 1.87 0.25 -0.54 0.00 0.00 174.62 176.40 1yai h LEU 114 N 3.87 0.95 -1.08 4.79 5.85 -1.95 -3.09 115.31 124.65 1yai h LEU 114 Ca -0.48 -0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.12 1yai h LEU 114 Cb 1.18 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.93 1yai h LEU 114 CO 0.41 0.80 0.36 0.07 -0.34 0.00 0.00 178.44 179.73 1yai h LYS 115 N 1.05 1.00 0.00 1.25 2.10 -2.01 -2.62 116.57 117.35 1yai h LYS 115 Ca 0.26 -0.13 -0.01 0.00 -2.00 0.00 0.00 60.65 58.77 1yai h LYS 115 Cb 0.09 -0.19 -0.00 0.00 -0.90 0.00 0.00 32.23 31.23 1yai h LYS 115 CO -0.04 0.76 -0.07 1.05 -2.00 0.00 0.00 179.45 179.15 1yai h GLU 116 N 1.00 0.00 0.00 0.07 4.11 -1.97 -3.28 114.58 114.50 1yai h GLU 116 Ca 0.25 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.66 1yai h GLU 116 Cb 0.08 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.32 1yai h GLU 116 CO -0.03 0.07 -0.10 -0.07 0.07 0.00 0.00 179.01 178.95 1yai h LEU 117 N 0.00 0.00 -9.56 3.06 3.38 -1.45 -3.46 115.31 107.28 1yai h LEU 117 Ca -0.00 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.39 1yai h LEU 117 Cb 0.87 0.00 0.07 0.00 0.09 0.00 0.00 40.66 41.69 1yai h LEU 117 CO 0.01 0.10 0.69 0.29 0.09 0.00 0.00 178.44 179.62 1yai n LYS 118 N -3.29 2.08 -0.76 1.13 4.01 -1.24 -2.07 118.16 118.02 1yai n LYS 118 Ca -0.00 0.75 0.00 0.00 -0.51 0.00 0.00 58.31 58.54 1yai n LYS 118 Cb 0.32 -2.45 0.00 0.00 -0.51 0.00 0.00 35.03 32.39 1yai n LYS 118 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1yai n GLY 119 N 2.65 0.58 3.63 0.72 0.00 -0.84 -5.04 105.19 106.89 1yai n GLY 119 Ca 0.14 -0.35 -0.27 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.00 2.52 -0.10 1.61 3.76 -0.88 -2.26 115.29 117.94 1yai s HIS 120 Ca 0.00 -0.64 -0.02 0.00 -0.15 0.00 0.00 55.06 54.25 1yai s HIS 120 Cb 0.00 -1.76 -0.03 0.00 1.11 0.00 0.00 32.58 31.90 1yai s HIS 120 CO 0.00 0.43 -0.02 0.00 -0.85 0.00 0.00 174.74 174.30 1yai s ALA 121 N -2.68 3.16 -0.18 -1.40 0.00 -1.16 0.47 121.76 119.96 1yai s ALA 121 Ca 0.36 -0.82 -0.17 0.00 0.00 0.00 0.00 51.96 51.32 1yai s ALA 121 Cb 0.08 -1.47 -0.04 0.00 0.00 0.00 0.00 23.12 21.70 1yai s ALA 121 CO 0.18 0.47 0.43 0.42 0.00 0.00 0.00 175.76 177.27 1yai s ILE 122 N -0.50 5.18 0.01 0.00 1.01 0.78 -0.02 121.20 127.66 1yai s ILE 122 Ca 0.08 0.80 0.08 0.00 0.00 0.00 0.00 60.65 61.62 1yai s ILE 122 Cb -0.12 -3.77 -0.02 0.00 0.01 0.00 0.00 42.46 38.56 1yai s ILE 122 CO 0.02 0.26 -0.25 -0.32 0.00 0.00 0.00 174.94 174.65 1yai s MET 123 N 1.19 1.87 -0.12 2.79 1.75 -0.03 -1.74 119.30 125.02 1yai s MET 123 Ca 0.21 -0.97 0.02 0.00 -1.25 0.00 0.00 55.69 53.71 1yai s MET 123 Cb -0.15 -1.91 -0.00 0.00 2.84 0.00 0.00 34.83 35.61 1yai s MET 123 CO 0.08 0.51 -0.20 0.42 -0.65 0.00 0.00 175.02 175.18 1yai s ILE 124 N -0.68 2.35 0.43 10.11 1.01 -0.52 -1.86 121.20 132.04 1yai s ILE 124 Ca 0.10 -0.91 0.08 0.00 0.00 0.00 0.00 60.65 59.93 1yai s ILE 124 Cb -0.10 -1.94 0.00 0.00 0.01 0.00 0.00 42.46 40.44 1yai s ILE 124 CO 0.00 0.54 0.51 -1.00 0.00 0.00 0.00 174.94 175.00 1yai s HIS 125 N 0.48 2.70 0.07 3.97 3.76 0.04 -1.23 115.29 125.08 1yai s HIS 125 Ca -0.14 -0.45 -0.17 0.00 -0.15 0.00 0.00 55.06 54.16 1yai s HIS 125 Cb -0.17 -2.30 -0.13 0.00 1.11 0.00 0.00 32.58 31.09 1yai s HIS 125 CO 0.05 -0.35 1.33 0.00 -0.85 0.00 0.00 174.74 174.92 1yai h ALA 126 N 0.75 0.31 -4.58 -1.40 0.00 -0.32 -3.38 119.26 110.64 1yai h ALA 126 Ca -0.40 -0.44 -0.30 0.00 0.00 0.00 0.00 54.91 53.77 1yai h ALA 126 Cb 1.28 -0.05 0.07 0.00 0.00 0.00 0.00 17.79 19.08 1yai h ALA 126 CO 0.49 0.38 0.12 0.41 0.00 0.00 0.00 179.25 180.65 1yai n GLY 127 N 0.39 0.20 0.00 0.00 0.00 0.94 -4.89 105.19 101.84 1yai n GLY 127 Ca -0.06 -1.93 0.00 0.00 0.00 0.00 0.00 46.02 44.03 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 -0.19 0.99 3.14 -0.02 0.00 -1.24 -0.17 105.19 107.71 1yai n GLY 128 Ca 0.11 -1.74 -0.04 0.00 0.00 0.00 0.00 46.02 44.35 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 -0.51 -0.02 1.61 -1.08 -1.24 -2.66 116.67 111.77 1yai s ASP 129 Ca 0.00 0.73 0.17 0.00 -0.52 0.00 0.00 52.55 52.92 1yai s ASP 129 Cb 0.00 1.62 0.52 0.00 -1.46 0.00 0.00 42.92 43.60 1yai s ASP 129 CO 0.00 -0.27 1.42 -0.46 0.52 0.00 0.00 175.17 176.39 1yai n ASN 130 N 5.40 3.22 -3.61 -0.34 6.94 -0.80 -4.88 115.26 121.19 1yai n ASN 130 Ca -0.05 -2.08 -0.26 0.00 -0.02 0.00 0.00 54.58 52.17 1yai n ASN 130 Cb 0.50 -0.41 0.06 0.00 -2.36 0.00 0.00 39.78 37.57 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 1.08 -2.60 -3.52 -2.53 8.25 -1.26 -4.98 115.22 109.67 1yai n HIS 131 Ca 0.19 0.91 -0.11 0.00 -0.26 0.00 0.00 57.72 58.46 1yai n HIS 131 Cb 0.54 -4.63 -0.03 0.00 1.12 0.00 0.00 29.99 26.99 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 -3.22 -0.45 0.00 0.41 0.15 -1.26 -4.06 113.70 105.27 1yai s SER 132 Ca 0.57 -0.14 0.29 0.00 0.70 0.00 0.00 55.95 57.37 1yai s SER 132 Cb -0.27 0.58 1.18 0.00 -1.71 0.00 0.00 66.02 65.80 1yai s SER 132 CO 0.71 -0.97 1.82 0.47 1.20 0.00 0.00 173.24 176.47 1yai n ASP 133 N -0.35 1.11 -4.24 5.45 8.00 -1.26 -1.15 116.55 124.11 1yai n ASP 133 Ca -0.16 -1.27 -0.27 0.00 0.71 0.00 0.00 54.79 53.80 1yai n ASP 133 Cb 0.64 0.01 -0.15 0.00 -0.02 0.00 0.00 41.12 41.60 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 -2.09 1.65 0.39 -1.24 -1.94 -1.26 -3.10 119.30 111.72 1yai s MET 134 Ca 0.38 -0.83 0.21 0.00 -1.71 0.00 0.00 55.69 53.73 1yai s MET 134 Cb 0.21 -1.65 0.53 0.00 2.01 0.00 0.00 34.83 35.92 1yai s MET 134 CO 0.37 0.44 1.66 -1.00 -0.01 0.00 0.00 175.02 176.48 1yai h PRO 135 N 5.36 0.00 -6.21 2.03 0.13 -1.96 -3.48 132.00 127.87 1yai h PRO 135 Ca -0.41 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.05 1yai h PRO 135 Cb 1.14 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.11 1yai h PRO 135 CO 0.46 0.26 -0.68 0.15 -0.23 0.00 0.00 178.00 177.96 1yai s LYS 136 N -3.32 2.68 0.57 0.86 3.01 -1.24 -5.07 119.74 117.23 1yai s LYS 136 Ca 0.03 -0.64 -0.21 0.00 -1.01 0.00 0.00 55.97 54.14 1yai s LYS 136 Cb 0.08 -2.58 -0.04 0.00 -1.01 0.00 0.00 37.83 34.28 1yai s LYS 136 CO 0.68 0.63 1.34 0.00 0.51 0.00 0.00 175.35 178.50 1yai s ALA 137 N -0.98 2.70 -1.56 5.17 0.00 -1.18 -2.81 121.76 123.11 1yai s ALA 137 Ca 0.17 1.30 -0.04 0.00 0.00 0.00 0.00 51.96 53.38 1yai s ALA 137 Cb -0.11 -3.56 0.01 0.00 0.00 0.00 0.00 23.12 19.46 1yai s ALA 137 CO 0.07 -1.42 0.48 1.28 0.00 0.00 0.00 175.76 176.17 1yai n LEU 138 N -1.26 -2.41 0.00 0.00 4.77 -1.26 -2.29 117.00 114.56 1yai n LEU 138 Ca 0.12 -0.24 0.00 0.00 -0.03 0.00 0.00 56.01 55.86 1yai n LEU 138 Cb 0.46 -2.87 0.00 0.00 -2.33 0.00 0.00 43.42 38.68 1yai n LEU 138 CO 0.51 0.14 0.00 0.61 -1.33 0.00 0.00 177.39 177.32 1yai n GLY 139 N -1.39 0.72 1.53 -0.72 0.00 -0.30 -3.24 105.19 101.80 1yai n GLY 139 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.00 0.58 0.25 -0.02 0.00 -0.97 -1.90 105.19 101.13 1yai n GLY 140 Ca 0.00 -0.81 0.01 0.00 0.00 0.00 0.00 46.02 45.22 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 0.41 0.00 -0.02 0.00 -1.48 -3.31 103.07 98.66 1yai h GLY 141 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.08 1yai h GLY 141 CO 0.00 0.24 0.00 0.61 0.00 0.00 0.00 176.54 177.39 1yai n GLY 142 N -0.82 1.60 3.60 4.60 0.00 -1.26 -0.04 105.19 112.87 1yai n GLY 142 Ca 0.00 -0.60 -0.37 0.00 0.00 0.00 0.00 46.02 45.06 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 6.95 -0.16 -2.66 4.61 0.00 -1.26 -4.66 120.51 123.33 1yai n ALA 143 Ca 0.00 -0.11 -0.39 0.00 0.00 0.00 0.00 53.44 52.93 1yai n ALA 143 Cb 0.00 -2.09 -0.07 0.00 0.00 0.00 0.00 19.45 17.29 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 -3.06 4.20 -0.10 0.00 0.52 -1.26 -0.09 118.95 119.17 1yai s ARG 144 Ca 0.74 0.44 0.05 0.00 -0.52 0.00 0.00 55.73 56.44 1yai s ARG 144 Cb -0.37 -3.56 -0.09 0.00 0.52 0.00 0.00 34.95 31.45 1yai s ARG 144 CO 0.49 -0.15 -0.03 1.33 0.02 0.00 0.00 175.30 176.97 1yai n VAL 145 N 4.53 0.61 -4.07 3.52 0.24 -0.37 -4.85 118.33 117.94 1yai n VAL 145 Ca -0.04 -0.31 -0.10 0.00 -2.04 0.00 0.00 64.34 61.84 1yai n VAL 145 Cb 0.50 -0.82 -0.11 0.00 -1.47 0.00 0.00 33.84 31.94 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 -2.21 0.53 0.16 2.33 0.00 -1.08 -0.56 121.76 120.93 1yai s ALA 146 Ca -0.09 -0.94 -0.21 0.00 0.00 0.00 0.00 51.96 50.72 1yai s ALA 146 Cb 0.03 0.14 0.05 0.00 0.00 0.00 0.00 23.12 23.35 1yai s ALA 146 CO 0.31 -0.18 0.54 0.00 0.00 0.00 0.00 175.76 176.44 1yai s GLY 148 N -2.78 -0.51 -0.16 0.00 0.00 -0.71 -0.94 107.32 102.22 1yai s GLY 148 Ca 0.03 1.41 -0.07 0.00 0.00 0.00 0.00 44.72 46.08 1yai s GLY 148 CO -0.11 1.10 0.08 0.14 0.00 0.00 0.00 173.10 174.30 1yai s VAL 149 N -0.68 4.96 -0.52 1.40 1.01 -1.26 -0.16 120.40 125.14 1yai s VAL 149 Ca -0.08 0.02 -0.27 0.00 0.00 0.00 0.00 61.98 61.65 1yai s VAL 149 Cb -0.02 -3.20 -0.01 0.00 0.00 0.00 0.00 36.38 33.15 1yai s VAL 149 CO 0.06 0.52 1.67 -0.63 0.00 0.00 0.00 175.10 176.72 1yai s ILE 150 N -0.14 3.55 0.00 2.22 1.01 0.18 -4.77 121.20 123.24 1yai s ILE 150 Ca 0.08 0.45 0.00 0.00 0.00 0.00 0.00 60.65 61.18 1yai s ILE 150 Cb -0.12 -4.06 0.00 0.00 0.01 0.00 0.00 42.46 38.29 1yai s ILE 150 CO 0.01 -0.89 0.00 1.67 0.00 0.00 0.00 174.94 175.73