#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cgl s SER 2 N 0.00 5.99 0.29 7.83 1.04 -1.26 -4.94 113.70 122.65 3cgl s SER 2 Ca 0.00 1.87 0.03 0.00 0.48 0.00 0.00 55.95 58.33 3cgl s SER 2 Cb 0.00 -2.54 0.73 0.00 0.10 0.00 0.00 66.02 64.31 3cgl s SER 2 CO 0.00 -1.03 1.65 0.00 0.98 0.00 0.00 173.24 174.85 3cgl h SER 4 N 0.24 0.00 0.28 0.00 4.64 -2.00 -2.95 113.55 113.77 3cgl h SER 4 Ca 0.56 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.76 3cgl h SER 4 Cb 1.14 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.22 3cgl h SER 4 CO -0.63 0.04 -0.49 0.11 -0.87 0.00 0.00 176.83 174.98 3cgl h LYS 5 N 0.00 0.25 -1.03 4.77 1.79 -1.71 -3.25 116.57 117.40 3cgl h LYS 5 Ca -0.00 -0.14 -0.62 0.00 -2.18 0.00 0.00 60.65 57.71 3cgl h LYS 5 Cb 0.13 0.01 -0.37 0.00 -1.58 0.00 0.00 32.23 30.42 3cgl h LYS 5 CO 0.01 0.69 -0.05 -1.13 -1.08 0.00 0.00 179.45 177.88 3cgl n SER 6 N -3.96 6.11 0.09 0.86 3.41 -1.11 -4.68 113.62 114.34 3cgl n SER 6 Ca -0.02 -3.77 -0.12 0.00 -0.26 0.00 0.00 58.87 54.71 3cgl n SER 6 Cb 0.54 -0.64 -0.10 0.00 -0.26 0.00 0.00 64.21 63.75 3cgl n SER 6 CO 0.00 0.00 0.00 -0.37 -0.16 0.00 0.00 175.04 174.51 3cgl h VAL 7 N 1.79 1.56 -3.55 -3.33 -1.51 -1.68 -3.40 116.25 106.13 3cgl h VAL 7 Ca 0.46 -3.06 -0.62 0.00 -1.23 0.00 0.00 66.70 62.25 3cgl h VAL 7 Cb 1.09 2.81 -0.13 0.00 -2.13 0.00 0.00 31.29 32.93 3cgl h VAL 7 CO 1.12 0.89 0.23 -0.63 -1.23 0.00 0.00 177.57 177.96 3cgl s ILE 8 N -2.80 4.83 0.43 7.19 -1.09 -1.26 -4.89 121.20 123.60 3cgl s ILE 8 Ca -0.02 0.69 0.07 0.00 -2.23 0.00 0.00 60.65 59.16 3cgl s ILE 8 Cb 0.09 -4.13 0.01 0.00 -1.58 0.00 0.00 42.46 36.84 3cgl s ILE 8 CO 0.85 -0.37 0.58 -0.54 -1.23 0.00 0.00 174.94 174.24 3cgl s LYS 9 N 2.87 2.83 0.37 2.79 -0.14 -1.26 -5.00 119.74 122.19 3cgl s LYS 9 Ca 0.27 -1.17 0.11 0.00 -1.36 0.00 0.00 55.97 53.82 3cgl s LYS 9 Cb -0.14 -2.74 0.70 0.00 -1.68 0.00 0.00 37.83 33.98 3cgl s LYS 9 CO 0.16 -0.29 1.83 0.93 -0.76 0.00 0.00 175.35 177.22 3cgl h GLU 10 N 0.60 0.09 -4.65 1.68 4.39 -1.96 -3.40 114.58 111.33 3cgl h GLU 10 Ca -0.41 -0.03 -0.58 0.00 0.34 0.00 0.00 59.36 58.68 3cgl h GLU 10 Cb 1.28 -0.01 -0.35 0.00 -0.10 0.00 0.00 28.75 29.57 3cgl h GLU 10 CO 0.46 0.41 -0.83 -2.00 -1.16 0.00 0.00 179.01 175.89 3cgl s GLU 11 N -4.32 2.11 0.14 2.33 2.12 -1.26 -3.92 118.70 115.90 3cgl s GLU 11 Ca -0.04 -0.51 0.11 0.00 0.36 0.00 0.00 54.97 54.89 3cgl s GLU 11 Cb 0.14 -1.86 -0.04 0.00 0.26 0.00 0.00 34.13 32.63 3cgl s GLU 11 CO 0.73 -0.12 -0.26 -1.64 -0.54 0.00 0.00 175.26 173.43 3cgl s MET 12 N 1.17 1.42 0.34 4.30 -1.94 -0.16 -4.97 119.30 119.45 3cgl s MET 12 Ca -0.03 -1.38 0.07 0.00 -1.71 0.00 0.00 55.69 52.63 3cgl s MET 12 Cb -0.14 -1.87 -0.01 0.00 2.01 0.00 0.00 34.83 34.82 3cgl s MET 12 CO -0.04 0.44 0.47 -0.51 -0.01 0.00 0.00 175.02 175.36 3cgl s LEU 13 N -2.19 3.95 -0.02 -0.03 1.43 0.18 -0.61 118.68 121.39 3cgl s LEU 13 Ca 0.15 -0.21 0.02 0.00 -1.03 0.00 0.00 54.13 53.06 3cgl s LEU 13 Cb -0.10 -2.73 0.01 0.00 0.03 0.00 0.00 46.19 43.40 3cgl s LEU 13 CO 0.07 -0.44 -0.06 -0.63 0.23 0.00 0.00 176.35 175.52 3cgl s ILE 14 N -2.18 0.52 -0.08 -0.59 1.01 0.12 -0.97 121.20 119.02 3cgl s ILE 14 Ca 0.45 -0.22 -0.00 0.00 0.00 0.00 0.00 60.65 60.88 3cgl s ILE 14 Cb -0.09 -0.48 0.02 0.00 0.01 0.00 0.00 42.46 41.92 3cgl s ILE 14 CO 0.31 0.18 -0.04 -0.62 0.00 0.00 0.00 174.94 174.76 3cgl s ASP 15 N 0.26 1.65 0.06 3.58 -1.08 0.43 -0.63 116.67 120.94 3cgl s ASP 15 Ca -0.03 -0.18 0.03 0.00 -0.52 0.00 0.00 52.55 51.85 3cgl s ASP 15 Cb -0.07 -0.61 -0.03 0.00 -1.46 0.00 0.00 42.92 40.75 3cgl s ASP 15 CO -0.00 -0.12 -0.10 -1.48 0.52 0.00 0.00 175.17 173.99 3cgl s LEU 16 N 1.53 2.29 -0.02 -1.34 0.05 0.21 -0.92 118.68 120.49 3cgl s LEU 16 Ca -0.00 -0.63 0.01 0.00 0.05 0.00 0.00 54.13 53.56 3cgl s LEU 16 Cb -0.13 -0.27 0.01 0.00 -2.05 0.00 0.00 46.19 43.75 3cgl s LEU 16 CO -0.04 -0.19 -0.05 -2.28 -0.55 0.00 0.00 176.35 173.24 3cgl s HIS 17 N -1.61 0.61 -0.06 3.48 2.46 -0.61 -1.31 115.29 118.26 3cgl s HIS 17 Ca -0.05 -0.14 0.03 0.00 0.47 0.00 0.00 55.06 55.38 3cgl s HIS 17 Cb -0.08 -0.49 0.00 0.00 -0.13 0.00 0.00 32.58 31.88 3cgl s HIS 17 CO 0.01 -0.09 -0.16 -1.17 -2.47 0.00 0.00 174.74 170.86 3cgl s LEU 18 N 0.39 1.81 -0.03 8.88 0.20 0.11 -0.42 118.68 129.63 3cgl s LEU 18 Ca -0.05 -0.35 0.06 0.00 0.69 0.00 0.00 54.13 54.48 3cgl s LEU 18 Cb -0.09 -0.96 -0.01 0.00 -0.43 0.00 0.00 46.19 44.70 3cgl s LEU 18 CO -0.00 0.10 -0.23 -1.61 -0.29 0.00 0.00 176.35 174.32 3cgl s GLU 19 N 0.38 2.04 0.25 1.98 2.02 -0.48 -0.76 118.70 124.12 3cgl s GLU 19 Ca -0.11 -0.81 -0.21 0.00 0.02 0.00 0.00 54.97 53.85 3cgl s GLU 19 Cb -0.14 -1.87 0.03 0.00 0.10 0.00 0.00 34.13 32.25 3cgl s GLU 19 CO 0.04 0.43 0.69 0.20 0.02 0.00 0.00 175.26 176.63 3cgl s GLY 20 N -0.35 -0.20 0.02 -1.39 0.00 -0.22 -0.38 107.32 104.78 3cgl s GLY 20 Ca 0.04 -0.14 0.06 0.00 0.00 0.00 0.00 44.72 44.68 3cgl s GLY 20 CO 0.01 -0.04 -0.18 -0.51 0.00 0.00 0.00 173.10 172.37 3cgl s THR 21 N -3.88 1.47 -0.15 0.90 -4.23 -0.46 -0.84 115.64 108.45 3cgl s THR 21 Ca 0.09 -0.97 -0.00 0.00 -1.18 0.00 0.00 61.69 59.63 3cgl s THR 21 Cb -0.05 -1.26 0.03 0.00 1.34 0.00 0.00 72.50 72.57 3cgl s THR 21 CO 0.02 0.27 -0.08 0.12 -0.54 0.00 0.00 174.62 174.41 3cgl s PHE 22 N -0.63 1.76 -1.58 3.99 2.19 0.51 -0.84 117.98 123.38 3cgl s PHE 22 Ca 0.06 -1.02 -0.11 0.00 0.33 0.00 0.00 56.93 56.19 3cgl s PHE 22 Cb -0.08 -1.36 0.09 0.00 -1.31 0.00 0.00 43.02 40.36 3cgl s PHE 22 CO 0.01 -0.60 0.67 0.09 1.83 0.00 0.00 175.22 177.22 3cgl n ASN 23 N 4.87 -2.38 0.00 6.13 4.13 -0.21 -0.38 115.26 127.42 3cgl n ASN 23 Ca -0.13 -0.98 0.00 0.00 1.68 0.00 0.00 54.58 55.14 3cgl n ASN 23 Cb 0.49 -2.99 0.00 0.00 -1.54 0.00 0.00 39.78 35.74 3cgl n ASN 23 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3cgl n GLY 24 N -1.66 2.31 3.62 7.41 0.00 -1.26 -5.02 105.19 110.60 3cgl n GLY 24 Ca -0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.54 3cgl n GLY 24 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3cgl s HIS 25 N -2.87 3.26 0.17 1.61 5.04 0.49 -5.01 115.29 117.98 3cgl s HIS 25 Ca 0.00 0.87 -0.27 0.00 -1.54 0.00 0.00 55.06 54.12 3cgl s HIS 25 Cb 0.00 -3.02 -0.08 0.00 0.04 0.00 0.00 32.58 29.52 3cgl s HIS 25 CO 0.00 -0.43 0.83 -0.47 -2.34 0.00 0.00 174.74 172.33 3cgl s TYR 26 N 2.74 3.91 0.08 3.88 5.04 -1.26 -0.37 117.35 131.37 3cgl s TYR 26 Ca 0.30 1.71 -0.18 0.00 -2.44 0.00 0.00 57.07 56.46 3cgl s TYR 26 Cb -0.15 -2.85 0.04 0.00 0.35 0.00 0.00 41.96 39.36 3cgl s TYR 26 CO 0.10 0.46 0.44 -0.59 -1.34 0.00 0.00 175.55 174.62 3cgl s PHE 27 N -1.00 -0.29 0.02 4.97 -0.71 -0.02 -4.32 117.98 116.64 3cgl s PHE 27 Ca 0.38 0.14 0.04 0.00 -1.04 0.00 0.00 56.93 56.44 3cgl s PHE 27 Cb -0.24 0.28 -0.02 0.00 -1.21 0.00 0.00 43.02 41.83 3cgl s PHE 27 CO 0.28 -0.65 -0.11 -1.21 -1.34 0.00 0.00 175.22 172.18 3cgl s GLU 28 N -3.10 0.78 -0.00 1.99 2.02 -0.54 -1.06 118.70 118.79 3cgl s GLU 28 Ca -0.01 -0.58 0.00 0.00 0.02 0.00 0.00 54.97 54.39 3cgl s GLU 28 Cb 0.00 -0.74 0.00 0.00 0.10 0.00 0.00 34.13 33.50 3cgl s GLU 28 CO -0.07 0.19 0.00 0.42 0.02 0.00 0.00 175.26 175.82 3cgl s ILE 29 N -0.68 0.03 0.27 -1.63 1.01 0.06 -1.11 121.20 119.15 3cgl s ILE 29 Ca 0.00 0.02 0.12 0.00 0.00 0.00 0.00 60.65 60.79 3cgl s ILE 29 Cb -0.06 -0.05 -0.05 0.00 0.01 0.00 0.00 42.46 42.30 3cgl s ILE 29 CO 0.00 0.03 -0.20 -1.59 0.00 0.00 0.00 174.94 173.18 3cgl s LYS 30 N 0.18 1.67 0.10 2.79 -2.85 -0.39 0.08 119.74 121.32 3cgl s LYS 30 Ca -0.01 -1.76 -0.25 0.00 -1.00 0.00 0.00 55.97 52.95 3cgl s LYS 30 Cb -0.02 -1.77 0.07 0.00 -2.06 0.00 0.00 37.83 34.05 3cgl s LYS 30 CO -0.01 0.33 0.65 0.20 0.10 0.00 0.00 175.35 176.62 3cgl s GLY 31 N -3.47 -0.59 0.04 0.59 0.00 -0.43 -0.49 107.32 102.97 3cgl s GLY 31 Ca 0.29 0.72 0.00 0.00 0.00 0.00 0.00 44.72 45.74 3cgl s GLY 31 CO 0.15 0.34 -0.04 0.54 0.00 0.00 0.00 173.10 174.08 3cgl s LYS 32 N -3.17 0.45 0.00 2.90 -0.14 -0.76 -0.62 119.74 118.41 3cgl s LYS 32 Ca -0.01 -0.81 0.00 0.00 -1.36 0.00 0.00 55.97 53.79 3cgl s LYS 32 Cb -0.01 0.02 0.00 0.00 -1.68 0.00 0.00 37.83 36.16 3cgl s LYS 32 CO -0.08 -0.04 0.00 0.41 -0.76 0.00 0.00 175.35 174.88 3cgl n GLY 33 N 1.17 2.00 3.46 -3.33 0.00 0.20 -0.76 105.19 107.93 3cgl n GLY 33 Ca -0.21 -0.72 -0.15 0.00 0.00 0.00 0.00 46.02 44.94 3cgl n GLY 33 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3cgl s LYS 34 N 0.62 1.17 0.30 1.61 -2.85 -0.19 -0.71 119.74 119.69 3cgl s LYS 34 Ca 0.00 -0.16 -0.12 0.00 -1.00 0.00 0.00 55.97 54.68 3cgl s LYS 34 Cb 0.00 0.54 0.01 0.00 -2.06 0.00 0.00 37.83 36.33 3cgl s LYS 34 CO 0.00 -0.45 0.58 0.20 0.10 0.00 0.00 175.35 175.78 3cgl s GLY 35 N -2.07 0.62 -0.43 0.59 0.00 0.22 -0.89 107.32 105.35 3cgl s GLY 35 Ca -0.04 -0.91 0.02 0.00 0.00 0.00 0.00 44.72 43.80 3cgl s GLY 35 CO -0.03 -0.56 0.21 1.20 0.00 0.00 0.00 173.10 173.92 3cgl s GLN 36 N -3.44 1.42 0.37 2.90 1.11 0.82 -0.99 119.66 121.86 3cgl s GLN 36 Ca 0.21 -2.04 0.05 0.00 0.01 0.00 0.00 55.36 53.59 3cgl s GLN 36 Cb -0.02 -2.65 0.75 0.00 -1.01 0.00 0.00 33.01 30.07 3cgl s GLN 36 CO 0.12 -1.10 2.00 -1.35 0.01 0.00 0.00 175.29 174.96 3cgl h PRO 37 N 6.93 0.71 0.00 2.91 0.11 -1.77 -0.71 132.00 140.18 3cgl h PRO 37 Ca -0.05 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 65.93 3cgl h PRO 37 Cb 0.94 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.88 3cgl h PRO 37 CO 0.54 0.47 -0.46 -0.91 -0.21 0.00 0.00 178.00 177.43 3cgl h ASN 38 N 0.73 0.00 1.37 -2.05 2.35 -1.85 -3.11 115.58 113.02 3cgl h ASN 38 Ca 0.25 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.00 3cgl h ASN 38 Cb 0.09 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.46 3cgl h ASN 38 CO -0.07 0.40 -0.24 -0.33 -1.65 0.00 0.00 177.43 175.54 3cgl h GLU 39 N 0.00 0.00 -0.01 0.81 5.08 -1.59 -3.41 114.58 115.45 3cgl h GLU 39 Ca -0.01 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3cgl h GLU 39 Cb 1.31 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.56 3cgl h GLU 39 CO 0.05 0.00 -0.00 0.41 -1.00 0.00 0.00 179.01 178.47 3cgl n GLY 40 N 1.27 0.37 3.14 -3.84 0.00 -0.39 -4.59 105.19 101.15 3cgl n GLY 40 Ca 0.04 -0.93 -0.21 0.00 0.00 0.00 0.00 46.02 44.93 3cgl n GLY 40 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3cgl s THR 41 N -2.01 1.13 0.06 2.61 -4.23 -1.13 -0.13 115.64 111.95 3cgl s THR 41 Ca 0.00 -0.96 -0.17 0.00 -1.18 0.00 0.00 61.69 59.38 3cgl s THR 41 Cb 0.00 -1.02 0.03 0.00 1.34 0.00 0.00 72.50 72.86 3cgl s THR 41 CO 0.00 0.05 0.39 0.54 -0.54 0.00 0.00 174.62 175.06 3cgl s ASN 42 N -1.04 -0.24 -0.03 3.99 2.20 -0.49 -0.13 114.94 119.20 3cgl s ASN 42 Ca 0.02 -0.11 0.03 0.00 -0.94 0.00 0.00 52.86 51.87 3cgl s ASN 42 Cb -0.08 0.42 -0.00 0.00 -2.00 0.00 0.00 41.25 39.60 3cgl s ASN 42 CO 0.01 -0.70 -0.12 -0.89 -2.94 0.00 0.00 177.10 172.46 3cgl s THR 43 N -2.80 1.01 0.05 0.54 2.01 -0.07 -0.61 115.64 115.77 3cgl s THR 43 Ca -0.03 -0.49 0.03 0.00 0.31 0.00 0.00 61.69 61.51 3cgl s THR 43 Cb -0.00 -0.87 -0.03 0.00 0.01 0.00 0.00 72.50 71.61 3cgl s THR 43 CO -0.05 0.30 -0.10 0.68 -0.69 0.00 0.00 174.62 174.76 3cgl s VAL 44 N 0.07 0.73 -0.13 3.82 -7.23 -0.62 -1.03 120.40 116.02 3cgl s VAL 44 Ca -0.02 -1.19 0.02 0.00 -1.81 0.00 0.00 61.98 58.99 3cgl s VAL 44 Cb -0.09 -0.80 0.01 0.00 0.56 0.00 0.00 36.38 36.06 3cgl s VAL 44 CO 0.01 -0.35 -0.20 -0.89 -0.31 0.00 0.00 175.10 173.36 3cgl s THR 45 N -1.43 1.87 0.06 5.32 2.01 0.06 -0.95 115.64 122.58 3cgl s THR 45 Ca -0.07 -0.87 0.06 0.00 0.31 0.00 0.00 61.69 61.12 3cgl s THR 45 Cb -0.09 -1.67 -0.04 0.00 0.01 0.00 0.00 72.50 70.71 3cgl s THR 45 CO 0.01 0.51 -0.10 -0.76 -0.69 0.00 0.00 174.62 173.59 3cgl s LEU 46 N 0.86 3.01 -0.06 4.42 2.01 0.14 -1.83 118.68 127.23 3cgl s LEU 46 Ca -0.07 -0.30 0.02 0.00 0.01 0.00 0.00 54.13 53.78 3cgl s LEU 46 Cb -0.15 -1.78 0.02 0.00 0.01 0.00 0.00 46.19 44.29 3cgl s LEU 46 CO -0.01 0.23 -0.09 -1.61 1.01 0.00 0.00 176.35 175.87 3cgl s GLU 47 N -1.78 1.35 -0.18 1.70 2.02 0.36 -1.52 118.70 120.65 3cgl s GLU 47 Ca 0.19 -0.29 -0.29 0.00 0.02 0.00 0.00 54.97 54.59 3cgl s GLU 47 Cb -0.11 -1.18 -0.02 0.00 0.10 0.00 0.00 34.13 32.93 3cgl s GLU 47 CO 0.10 -0.02 1.34 0.08 0.02 0.00 0.00 175.26 176.79 3cgl s VAL 48 N 0.76 4.13 -0.31 2.63 1.01 -0.09 -1.26 120.40 127.27 3cgl s VAL 48 Ca -0.13 1.34 0.18 0.00 0.00 0.00 0.00 61.98 63.37 3cgl s VAL 48 Cb -0.15 -3.94 -0.25 0.00 0.00 0.00 0.00 36.38 32.04 3cgl s VAL 48 CO 0.02 -0.20 0.52 0.35 0.00 0.00 0.00 175.10 175.79 3cgl n THR 49 N 5.61 0.00 -3.73 3.92 -2.24 -0.26 -4.88 114.28 112.71 3cgl n THR 49 Ca 0.15 -0.30 -0.13 0.00 -2.27 0.00 0.00 64.05 61.50 3cgl n THR 49 Cb 0.45 0.41 -0.10 0.00 -2.10 0.00 0.00 70.33 68.99 3cgl n THR 49 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3cgl s LYS 50 N -3.04 0.48 -0.20 -0.78 2.20 -1.06 -4.93 119.74 112.41 3cgl s LYS 50 Ca -0.02 0.61 0.00 0.00 -0.36 0.00 0.00 55.97 56.20 3cgl s LYS 50 Cb 0.12 0.20 0.00 0.00 -1.51 0.00 0.00 37.83 36.64 3cgl s LYS 50 CO 0.74 -0.07 0.00 0.41 -0.36 0.00 0.00 175.35 176.07 3cgl n GLY 51 N 3.05 0.54 3.96 5.54 0.00 -1.26 -1.47 105.19 115.55 3cgl n GLY 51 Ca -0.15 -0.83 -0.19 0.00 0.00 0.00 0.00 46.02 44.86 3cgl n GLY 51 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3cgl s GLY 52 N -2.82 1.74 0.28 -0.02 0.00 -1.26 -4.17 107.32 101.07 3cgl s GLY 52 Ca 0.00 -1.57 -0.30 0.00 0.00 0.00 0.00 44.72 42.85 3cgl s GLY 52 CO 0.00 -1.46 1.40 -1.55 0.00 0.00 0.00 173.10 171.49 3cgl n PRO 53 N -1.62 2.17 -2.09 2.90 -0.04 -1.26 -5.08 135.00 129.98 3cgl n PRO 53 Ca 0.01 0.77 -0.41 0.00 -0.04 0.00 0.00 63.50 63.83 3cgl n PRO 53 Cb 0.59 -2.42 -0.02 0.00 -0.04 0.00 0.00 33.50 31.60 3cgl n PRO 53 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3cgl s LEU 54 N -0.31 4.41 -0.19 1.53 1.43 -1.26 -4.90 118.68 119.39 3cgl s LEU 54 Ca 0.64 2.67 -0.02 0.00 -1.03 0.00 0.00 54.13 56.39 3cgl s LEU 54 Cb -0.60 -3.64 0.02 0.00 0.03 0.00 0.00 46.19 42.00 3cgl s LEU 54 CO 0.53 -0.59 2.51 -0.81 0.23 0.00 0.00 176.35 178.22 3cgl n PRO 55 N 1.36 1.75 -3.59 1.29 -0.04 -1.26 -4.80 135.00 129.72 3cgl n PRO 55 Ca 0.02 -1.19 -0.05 0.00 -0.04 0.00 0.00 63.50 62.25 3cgl n PRO 55 Cb 0.41 -1.64 -0.02 0.00 -0.04 0.00 0.00 33.50 32.21 3cgl n PRO 55 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 3cgl s PHE 56 N -0.71 -0.17 0.26 0.54 -0.71 -1.26 -4.75 117.98 111.17 3cgl s PHE 56 Ca 0.36 0.08 -0.30 0.00 -1.04 0.00 0.00 56.93 56.03 3cgl s PHE 56 Cb 0.22 0.53 -0.09 0.00 -1.21 0.00 0.00 43.02 42.47 3cgl s PHE 56 CO -0.05 -0.34 1.29 0.20 -1.34 0.00 0.00 175.22 174.98 3cgl s GLY 57 N -2.42 2.70 0.27 1.99 0.00 0.64 -4.89 107.32 105.61 3cgl s GLY 57 Ca 0.09 1.15 0.01 0.00 0.00 0.00 0.00 44.72 45.97 3cgl s GLY 57 CO -0.05 1.96 1.73 -0.25 0.00 0.00 0.00 173.10 176.49 3cgl h TRP 58 N 4.48 0.70 0.00 1.90 2.91 -1.92 -3.33 115.95 120.69 3cgl h TRP 58 Ca -0.46 0.04 -0.01 0.00 1.13 0.00 0.00 58.89 59.59 3cgl h TRP 58 Cb 1.22 -0.18 -0.00 0.00 -0.51 0.00 0.00 29.16 29.69 3cgl h TRP 58 CO 0.59 0.08 -0.03 0.45 -1.03 0.00 0.00 178.44 178.50 3cgl h HIS 59 N 0.52 0.00 -0.06 2.65 -0.00 -1.92 -0.10 115.15 116.23 3cgl h HIS 59 Ca 0.50 0.00 0.02 0.00 -0.00 0.00 0.00 60.37 60.89 3cgl h HIS 59 Cb 0.82 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 28.23 3cgl h HIS 59 CO -0.12 0.03 0.07 -0.84 -0.00 0.00 0.00 177.93 177.07 3cgl h ILE 60 N 0.00 0.52 0.00 2.45 3.07 -1.98 -1.95 117.51 119.62 3cgl h ILE 60 Ca -0.00 0.00 -0.09 0.00 1.55 0.00 0.00 64.86 66.32 3cgl h ILE 60 Cb 0.06 0.94 -0.01 0.00 -0.27 0.00 0.00 36.82 37.54 3cgl h ILE 60 CO 0.00 0.00 -0.41 -0.07 -1.05 0.00 0.00 178.15 176.63 3cgl h LEU 61 N 0.00 0.00 -0.35 0.16 3.38 -1.28 -3.40 115.31 113.82 3cgl h LEU 61 Ca 0.03 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.08 3cgl h LEU 61 Cb 0.17 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.84 3cgl h LEU 61 CO -0.00 0.41 -0.16 0.00 0.09 0.00 0.00 178.44 178.77 3cgl h PRO 63 N -0.10 0.00 -0.05 0.00 0.11 -1.77 -2.62 132.00 127.56 3cgl h PRO 63 Ca 0.18 0.00 -0.24 0.00 0.11 0.00 0.00 66.00 66.05 3cgl h PRO 63 Cb 0.38 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.50 3cgl h PRO 63 CO -0.42 0.00 -0.92 1.96 -0.21 0.00 0.00 178.00 178.41 3cgl h GLN 64 N 0.00 0.63 -3.49 1.05 1.08 -1.26 -3.45 115.11 109.67 3cgl h GLN 64 Ca 0.00 -0.61 -0.54 0.00 -1.45 0.00 0.00 58.65 56.05 3cgl h GLN 64 Cb 0.24 0.16 0.02 0.00 -0.05 0.00 0.00 27.48 27.85 3cgl h GLN 64 CO 0.00 1.22 3.03 1.19 -0.95 0.00 0.00 178.83 183.32 3cgl n PHE 65 N -3.85 2.00 0.00 2.96 3.72 -0.99 -5.04 117.46 116.26 3cgl n PHE 65 Ca -0.08 -2.41 0.00 0.00 -0.05 0.00 0.00 57.45 54.90 3cgl n PHE 65 Cb 0.82 -2.03 0.00 0.00 -0.94 0.00 0.00 39.48 37.33 3cgl n PHE 65 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 3cgl n ASN 69 N 4.63 0.00 -0.13 4.37 5.15 -1.26 -5.05 115.26 122.98 3cgl n ASN 69 Ca 0.57 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.55 3cgl n ASN 69 Cb 0.23 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.48 3cgl n ASN 69 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 3cgl n LYS 70 N 0.00 0.74 0.28 1.20 4.76 -1.26 -1.74 118.16 122.14 3cgl n LYS 70 Ca 0.00 0.00 0.13 0.00 -2.87 0.00 0.00 58.31 55.57 3cgl n LYS 70 Cb 0.00 -1.09 0.80 0.00 -1.84 0.00 0.00 35.03 32.90 3cgl n LYS 70 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3cgl h ALA 71 N 2.30 1.51 -0.63 7.82 0.00 -1.97 -3.22 119.26 125.07 3cgl h ALA 71 Ca 0.00 -0.05 -0.60 0.00 0.00 0.00 0.00 54.91 54.26 3cgl h ALA 71 Cb 0.09 -0.01 -0.17 0.00 0.00 0.00 0.00 17.79 17.71 3cgl h ALA 71 CO 0.00 0.06 1.07 1.19 0.00 0.00 0.00 179.25 181.57 3cgl n PHE 72 N -3.88 2.03 -4.88 0.00 3.01 -0.71 -4.75 117.46 108.28 3cgl n PHE 72 Ca -0.03 -2.26 -0.28 0.00 1.01 0.00 0.00 57.45 55.90 3cgl n PHE 72 Cb 0.14 -1.50 -0.17 0.00 -0.01 0.00 0.00 39.48 37.95 3cgl n PHE 72 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 3cgl s VAL 73 N -2.19 1.55 -0.05 -4.37 1.01 -1.22 -4.12 120.40 111.02 3cgl s VAL 73 Ca 0.56 -0.74 -0.30 0.00 0.00 0.00 0.00 61.98 61.50 3cgl s VAL 73 Cb 0.32 -1.36 -0.04 0.00 0.00 0.00 0.00 36.38 35.30 3cgl s VAL 73 CO -0.19 0.45 1.32 -2.28 0.00 0.00 0.00 175.10 174.39 3cgl s HIS 74 N 0.38 2.92 -0.12 5.22 2.46 -0.34 -4.64 115.29 121.18 3cgl s HIS 74 Ca -0.13 0.95 -0.01 0.00 0.47 0.00 0.00 55.06 56.34 3cgl s HIS 74 Cb -0.16 -3.57 -0.02 0.00 -0.13 0.00 0.00 32.58 28.71 3cgl s HIS 74 CO 0.05 -2.00 -0.09 -1.01 -2.47 0.00 0.00 174.74 169.22 3cgl s HIS 75 N 2.60 2.90 0.76 3.88 3.76 -1.26 0.20 115.29 128.12 3cgl s HIS 75 Ca 0.60 -0.38 -0.11 0.00 -0.15 0.00 0.00 55.06 55.02 3cgl s HIS 75 Cb -0.28 -1.85 0.05 0.00 1.11 0.00 0.00 32.58 31.62 3cgl s HIS 75 CO 0.23 -0.04 1.10 -1.25 -0.85 0.00 0.00 174.74 173.93 3cgl s PRO 76 N 0.10 2.31 0.56 8.40 0.04 -1.26 -4.92 135.00 140.22 3cgl s PRO 76 Ca -0.03 1.21 0.25 0.00 0.04 0.00 0.00 61.00 62.47 3cgl s PRO 76 Cb -0.14 -1.90 1.50 0.00 0.04 0.00 0.00 34.50 34.00 3cgl s PRO 76 CO 0.04 -1.61 2.09 -0.44 0.04 0.00 0.00 177.00 177.12 3cgl h ASP 77 N -0.97 0.00 -0.20 6.66 3.45 -2.00 -2.00 116.42 121.36 3cgl h ASP 77 Ca -0.44 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.02 3cgl h ASP 77 Cb 1.23 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.00 3cgl h ASP 77 CO 0.51 0.00 0.00 -0.46 -1.57 0.00 0.00 179.24 177.72 3cgl n ASN 78 N -4.14 1.65 -4.23 6.45 2.04 -1.26 -4.63 115.26 111.14 3cgl n ASN 78 Ca 0.03 -1.77 -0.35 0.00 -0.44 0.00 0.00 54.58 52.05 3cgl n ASN 78 Cb 0.34 -0.13 -0.14 0.00 -2.53 0.00 0.00 39.78 37.32 3cgl n ASN 78 CO 0.00 0.00 0.00 -0.63 -0.44 0.00 0.00 177.26 176.19 3cgl s ILE 79 N -1.74 3.13 0.17 1.53 1.01 -0.75 -5.01 121.20 119.54 3cgl s ILE 79 Ca 0.30 -0.97 -0.34 0.00 0.00 0.00 0.00 60.65 59.64 3cgl s ILE 79 Cb 0.16 -2.61 -0.14 0.00 0.01 0.00 0.00 42.46 39.88 3cgl s ILE 79 CO 0.23 0.15 1.58 1.57 0.00 0.00 0.00 174.94 178.47 3cgl n HIS 80 N 4.71 2.29 -3.17 3.97 -0.00 -1.26 -4.70 115.22 117.05 3cgl n HIS 80 Ca -0.16 0.27 -0.44 0.00 -0.00 0.00 0.00 57.72 57.39 3cgl n HIS 80 Cb 0.47 -2.54 0.00 0.00 -0.00 0.00 0.00 29.99 27.92 3cgl n HIS 80 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.34 172.87 3cgl n ASP 81 N 3.38 5.51 -0.22 0.26 4.64 -1.26 -4.43 116.55 124.44 3cgl n ASP 81 Ca 0.17 -3.06 0.02 0.00 -1.38 0.00 0.00 54.79 50.54 3cgl n ASP 81 Cb 0.29 -1.42 0.13 0.00 -1.04 0.00 0.00 41.12 39.08 3cgl n ASP 81 CO 0.00 0.00 0.00 0.22 -0.82 0.00 0.00 177.20 176.60 3cgl h TYR 82 N 6.63 0.27 -0.01 -0.67 5.03 -1.91 -1.48 116.97 124.84 3cgl h TYR 82 Ca 0.23 0.04 -0.16 0.00 2.58 0.00 0.00 58.73 61.41 3cgl h TYR 82 Cb 0.84 -0.02 0.01 0.00 1.55 0.00 0.00 36.73 39.11 3cgl h TYR 82 CO 0.88 -0.02 -0.62 -0.07 -1.32 0.00 0.00 178.16 177.01 3cgl h LEU 83 N 0.30 0.56 -0.78 2.82 3.38 -1.89 -2.10 115.31 117.60 3cgl h LEU 83 Ca 0.35 -0.75 0.06 0.00 0.09 0.00 0.00 57.88 57.63 3cgl h LEU 83 Cb 0.53 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 41.05 3cgl h LEU 83 CO -0.42 1.24 0.46 0.11 0.09 0.00 0.00 178.44 179.92 3cgl h LYS 84 N -0.06 0.82 0.00 1.13 1.57 -1.83 -2.41 116.57 115.79 3cgl h LYS 84 Ca -0.08 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 3cgl h LYS 84 Cb 1.33 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 33.45 3cgl h LYS 84 CO 0.12 0.54 0.00 1.28 -0.57 0.00 0.00 179.45 180.82 3cgl n LEU 85 N -4.70 0.34 0.24 2.94 4.32 -0.57 -2.46 117.00 117.11 3cgl n LEU 85 Ca 0.11 0.56 0.16 0.00 -0.02 0.00 0.00 56.01 56.81 3cgl n LEU 85 Cb 0.18 -0.48 0.66 0.00 -1.62 0.00 0.00 43.42 42.16 3cgl n LEU 85 CO 0.30 -0.25 0.96 0.77 -1.22 0.00 0.00 177.39 177.95 3cgl h SER 86 N 0.00 0.00 -3.64 -1.43 4.64 -0.84 -3.44 113.55 108.83 3cgl h SER 86 Ca 0.00 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.82 3cgl h SER 86 Cb 0.44 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.52 3cgl h SER 86 CO 0.00 0.00 0.06 -0.36 -0.87 0.00 0.00 176.83 175.66 3cgl s PHE 87 N -3.59 3.42 0.04 4.77 0.08 -1.03 -0.14 117.98 121.53 3cgl s PHE 87 Ca 0.02 1.07 0.29 0.00 0.12 0.00 0.00 56.93 58.42 3cgl s PHE 87 Cb 0.09 -2.44 1.06 0.00 -0.57 0.00 0.00 43.02 41.17 3cgl s PHE 87 CO 0.49 0.04 1.87 -1.00 -0.10 0.00 0.00 175.22 176.52 3cgl h PRO 88 N 1.87 0.00 -0.20 0.24 0.13 -1.86 -3.46 132.00 128.73 3cgl h PRO 88 Ca -0.47 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 64.69 3cgl h PRO 88 Cb 1.18 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.27 3cgl h PRO 88 CO 0.65 0.09 -0.03 0.93 -0.23 0.00 0.00 178.00 179.41 3cgl h GLU 89 N 0.00 0.02 0.00 0.86 3.07 -1.89 -3.39 114.58 113.25 3cgl h GLU 89 Ca -0.00 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3cgl h GLU 89 Cb 0.67 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.58 3cgl h GLU 89 CO 0.01 0.02 0.00 0.41 -1.40 0.00 0.00 179.01 178.05 3cgl n GLY 90 N -1.19 -1.46 3.82 -3.84 0.00 0.80 -4.76 105.19 98.55 3cgl n GLY 90 Ca -0.02 -2.07 -0.07 0.00 0.00 0.00 0.00 46.02 43.86 3cgl n GLY 90 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3cgl s TYR 91 N 0.00 -0.20 0.19 1.61 -0.85 -1.04 -1.38 117.35 115.68 3cgl s TYR 91 Ca 0.00 -0.22 0.11 0.00 -0.52 0.00 0.00 57.07 56.44 3cgl s TYR 91 Cb 0.00 0.69 -0.04 0.00 0.38 0.00 0.00 41.96 42.98 3cgl s TYR 91 CO 0.00 -1.14 -0.23 0.95 -1.52 0.00 0.00 175.55 173.62 3cgl s THR 92 N -3.79 2.21 0.14 -3.49 -4.23 -0.50 -0.70 115.64 105.29 3cgl s THR 92 Ca 0.11 -2.00 0.06 0.00 -1.18 0.00 0.00 61.69 58.68 3cgl s THR 92 Cb -0.05 -2.05 -0.04 0.00 1.34 0.00 0.00 72.50 71.71 3cgl s THR 92 CO 0.05 -0.16 -0.14 -1.66 -0.54 0.00 0.00 174.62 172.16 3cgl s TRP 93 N -1.75 1.48 -0.02 3.99 1.48 -0.00 -0.68 118.94 123.44 3cgl s TRP 93 Ca 0.19 -0.56 0.01 0.00 -1.06 0.00 0.00 56.10 54.69 3cgl s TRP 93 Cb -0.07 -0.76 0.01 0.00 -1.16 0.00 0.00 33.47 31.49 3cgl s TRP 93 CO 0.09 0.18 -0.04 -1.83 -4.06 0.00 0.00 176.95 171.29 3cgl s GLU 94 N -2.84 0.50 0.00 3.25 -1.05 -0.54 -1.52 118.70 116.50 3cgl s GLU 94 Ca 0.12 -0.11 0.01 0.00 -0.15 0.00 0.00 54.97 54.83 3cgl s GLU 94 Cb -0.04 -0.53 -0.00 0.00 -0.44 0.00 0.00 34.13 33.12 3cgl s GLU 94 CO 0.04 0.02 -0.02 0.50 0.95 0.00 0.00 175.26 176.74 3cgl s ARG 95 N 0.35 0.17 0.07 -4.83 3.52 0.61 -0.36 118.95 118.48 3cgl s ARG 95 Ca -0.04 -0.11 0.09 0.00 -0.13 0.00 0.00 55.73 55.54 3cgl s ARG 95 Cb -0.07 -0.14 -0.03 0.00 -1.56 0.00 0.00 34.95 33.14 3cgl s ARG 95 CO -0.00 0.04 -0.22 -1.54 -0.81 0.00 0.00 175.30 172.77 3cgl s SER 96 N -0.14 3.58 -0.21 -2.12 1.04 -0.05 -1.16 113.70 114.64 3cgl s SER 96 Ca -0.00 -0.54 -0.02 0.00 0.48 0.00 0.00 55.95 55.87 3cgl s SER 96 Cb -0.01 -0.46 0.06 0.00 0.10 0.00 0.00 66.02 65.71 3cgl s SER 96 CO -0.00 0.23 0.01 -0.04 0.98 0.00 0.00 173.24 174.41 3cgl s MET 97 N -1.62 0.98 -0.31 4.02 1.00 0.74 -1.17 119.30 122.94 3cgl s MET 97 Ca 0.14 -0.61 -0.12 0.00 0.00 0.00 0.00 55.69 55.10 3cgl s MET 97 Cb -0.10 -2.27 -0.03 0.00 0.00 0.00 0.00 34.83 32.43 3cgl s MET 97 CO 0.05 -0.63 0.24 -1.01 0.00 0.00 0.00 175.02 173.68 3cgl s HIS 98 N 1.70 3.22 0.35 -0.03 3.76 -0.33 -1.18 115.29 122.79 3cgl s HIS 98 Ca -0.03 -0.01 -0.04 0.00 -0.15 0.00 0.00 55.06 54.84 3cgl s HIS 98 Cb -0.18 -2.46 -0.05 0.00 1.11 0.00 0.00 32.58 31.01 3cgl s HIS 98 CO -0.07 -0.27 0.62 -0.06 -0.85 0.00 0.00 174.74 174.10 3cgl s PHE 99 N 1.79 3.50 0.53 1.40 0.08 -0.12 -0.77 117.98 124.40 3cgl s PHE 99 Ca 0.08 0.64 0.37 0.00 0.12 0.00 0.00 56.93 58.14 3cgl s PHE 99 Cb -0.17 -2.12 1.98 0.00 -0.57 0.00 0.00 43.02 42.14 3cgl s PHE 99 CO 0.11 0.04 2.24 1.05 -0.10 0.00 0.00 175.22 178.56 3cgl h GLU 100 N 1.12 0.00 -0.56 0.44 4.11 -1.65 -2.23 114.58 115.81 3cgl h GLU 100 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.95 3cgl h GLU 100 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 3cgl h GLU 100 CO 0.64 0.02 0.00 -0.40 0.07 0.00 0.00 179.01 179.34 3cgl n ASP 101 N -3.35 5.48 0.00 3.06 5.75 -1.26 -4.93 116.55 121.30 3cgl n ASP 101 Ca -0.02 -2.88 0.00 0.00 -0.01 0.00 0.00 54.79 51.88 3cgl n ASP 101 Cb 0.14 -0.66 0.00 0.00 -1.03 0.00 0.00 41.12 39.57 3cgl n ASP 101 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3cgl n GLY 102 N 0.60 2.01 3.75 6.12 0.00 -0.84 -4.67 105.19 112.16 3cgl n GLY 102 Ca 0.27 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.90 3cgl n GLY 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cgl n GLY 103 N -2.00 0.93 2.80 -0.02 0.00 -1.22 -4.77 105.19 100.92 3cgl n GLY 103 Ca 0.00 0.13 -0.16 0.00 0.00 0.00 0.00 46.02 45.99 3cgl n GLY 103 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3cgl s LEU 104 N -2.88 1.14 -0.06 0.99 2.96 -0.14 -0.94 118.68 119.75 3cgl s LEU 104 Ca 0.64 -0.00 0.04 0.00 -0.22 0.00 0.00 54.13 54.59 3cgl s LEU 104 Cb -0.44 -0.17 -0.02 0.00 0.50 0.00 0.00 46.19 46.06 3cgl s LEU 104 CO 0.55 -0.11 -0.17 0.00 -1.32 0.00 0.00 176.35 175.30 3cgl s ILE 107 N 0.89 0.21 0.10 0.00 1.09 -0.31 -0.92 121.20 122.26 3cgl s ILE 107 Ca -0.07 -0.24 0.05 0.00 -1.10 0.00 0.00 60.65 59.29 3cgl s ILE 107 Cb -0.15 -0.20 -0.03 0.00 -1.06 0.00 0.00 42.46 41.01 3cgl s ILE 107 CO -0.02 -0.03 -0.13 0.42 -0.10 0.00 0.00 174.94 175.09 3cgl s THR 108 N -0.27 1.14 -0.03 2.92 -4.23 -0.37 -0.29 115.64 114.50 3cgl s THR 108 Ca -0.01 -1.56 -0.01 0.00 -1.18 0.00 0.00 61.69 58.93 3cgl s THR 108 Cb -0.02 -1.32 0.03 0.00 1.34 0.00 0.00 72.50 72.52 3cgl s THR 108 CO -0.00 -0.40 0.06 0.21 -0.54 0.00 0.00 174.62 173.95 3cgl s ASN 109 N -2.22 0.00 -0.25 3.99 2.47 -0.57 -1.32 114.94 117.04 3cgl s ASN 109 Ca 0.04 0.11 -0.05 0.00 0.42 0.00 0.00 52.86 53.38 3cgl s ASN 109 Cb -0.06 0.02 -0.00 0.00 -1.45 0.00 0.00 41.25 39.76 3cgl s ASN 109 CO 0.02 -0.10 0.01 -0.62 -3.72 0.00 0.00 177.10 172.68 3cgl s ASP 110 N 0.83 4.67 -0.20 -4.21 -1.08 -1.02 -0.82 116.67 114.84 3cgl s ASP 110 Ca -0.07 -0.54 -0.05 0.00 -0.52 0.00 0.00 52.55 51.38 3cgl s ASP 110 Cb -0.09 -1.80 -0.02 0.00 -1.46 0.00 0.00 42.92 39.55 3cgl s ASP 110 CO -0.03 -0.09 -0.01 -0.63 0.52 0.00 0.00 175.17 174.93 3cgl s ILE 111 N 1.48 3.86 0.40 4.11 1.01 0.12 -2.00 121.20 130.18 3cgl s ILE 111 Ca 0.04 -0.34 0.06 0.00 0.00 0.00 0.00 60.65 60.40 3cgl s ILE 111 Cb -0.16 -2.74 -0.07 0.00 0.01 0.00 0.00 42.46 39.50 3cgl s ILE 111 CO -0.01 0.43 0.02 -0.94 0.00 0.00 0.00 174.94 174.44 3cgl s SER 112 N 1.03 3.59 -0.02 3.58 1.04 -0.76 -2.51 113.70 119.66 3cgl s SER 112 Ca 0.02 -1.40 0.00 0.00 0.48 0.00 0.00 55.95 55.05 3cgl s SER 112 Cb -0.14 -0.26 0.02 0.00 0.10 0.00 0.00 66.02 65.74 3cgl s SER 112 CO 0.01 -0.52 0.02 -0.22 0.98 0.00 0.00 173.24 173.52 3cgl s LEU 113 N -3.68 1.23 -0.03 2.42 2.96 -1.26 -0.65 118.68 119.66 3cgl s LEU 113 Ca 0.33 0.02 0.01 0.00 -0.22 0.00 0.00 54.13 54.28 3cgl s LEU 113 Cb 0.09 -0.08 0.02 0.00 0.50 0.00 0.00 46.19 46.71 3cgl s LEU 113 CO 0.16 -0.10 -0.04 -0.89 -1.32 0.00 0.00 176.35 174.15 3cgl s THR 114 N 0.90 0.49 0.00 3.68 2.01 -0.66 -5.00 115.64 117.05 3cgl s THR 114 Ca -0.08 -0.13 0.00 0.00 0.31 0.00 0.00 61.69 61.79 3cgl s THR 114 Cb -0.11 -0.50 0.00 0.00 0.01 0.00 0.00 72.50 71.90 3cgl s THR 114 CO -0.02 0.20 0.00 0.61 -0.69 0.00 0.00 174.62 174.71 3cgl n GLY 115 N 3.80 3.56 1.38 4.40 0.00 -1.26 -0.88 105.19 116.20 3cgl n GLY 115 Ca -0.23 0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.81 3cgl n GLY 115 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3cgl n ASN 116 N 5.28 3.96 -4.29 1.61 6.94 -1.26 -4.94 115.26 122.56 3cgl n ASN 116 Ca 0.00 -3.26 -0.35 0.00 -0.02 0.00 0.00 54.58 50.94 3cgl n ASN 116 Cb 0.00 -0.64 -0.14 0.00 -2.36 0.00 0.00 39.78 36.64 3cgl n ASN 116 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3cgl s PHE 118 N 1.44 3.55 -0.16 0.00 0.40 -0.14 -1.66 117.98 121.41 3cgl s PHE 118 Ca 0.04 1.65 0.00 0.00 -0.60 0.00 0.00 56.93 58.02 3cgl s PHE 118 Cb -0.16 -3.31 0.00 0.00 0.51 0.00 0.00 43.02 40.07 3cgl s PHE 118 CO -0.02 -0.65 -0.16 0.71 0.70 0.00 0.00 175.22 175.79 3cgl s TYR 119 N -0.95 2.77 -0.16 0.36 2.02 0.17 -0.43 117.35 121.13 3cgl s TYR 119 Ca 0.46 -1.18 -0.04 0.00 -0.37 0.00 0.00 57.07 55.94 3cgl s TYR 119 Cb -0.32 -1.90 -0.03 0.00 -0.40 0.00 0.00 41.96 39.32 3cgl s TYR 119 CO 0.40 -0.55 -0.03 0.71 -1.57 0.00 0.00 175.55 174.51 3cgl s TYR 120 N 0.93 3.04 -0.48 2.71 4.12 -0.09 -1.82 117.35 125.76 3cgl s TYR 120 Ca -0.03 -0.30 -0.02 0.00 0.02 0.00 0.00 57.07 56.74 3cgl s TYR 120 Cb -0.15 -1.98 0.13 0.00 -1.52 0.00 0.00 41.96 38.44 3cgl s TYR 120 CO -0.03 -0.05 0.27 0.34 0.02 0.00 0.00 175.55 176.10 3cgl s ASP 121 N 0.45 5.12 -0.15 2.29 3.68 -0.85 -1.57 116.67 125.64 3cgl s ASP 121 Ca -0.03 -2.39 -0.06 0.00 2.13 0.00 0.00 52.55 52.20 3cgl s ASP 121 Cb -0.14 -1.80 -0.04 0.00 -1.45 0.00 0.00 42.92 39.49 3cgl s ASP 121 CO 0.03 -0.45 0.07 -0.63 0.13 0.00 0.00 175.17 174.32 3cgl s ILE 122 N 0.61 4.85 -0.14 4.11 1.01 0.44 -2.42 121.20 129.66 3cgl s ILE 122 Ca 0.12 -0.02 0.02 0.00 0.00 0.00 0.00 60.65 60.76 3cgl s ILE 122 Cb -0.22 -3.14 0.01 0.00 0.01 0.00 0.00 42.46 39.12 3cgl s ILE 122 CO -0.04 0.52 -0.19 -0.54 0.00 0.00 0.00 174.94 174.68 3cgl s LYS 123 N -0.13 2.77 -0.07 2.79 -0.14 -0.44 -1.39 119.74 123.14 3cgl s LYS 123 Ca 0.07 -0.76 0.05 0.00 -1.36 0.00 0.00 55.97 53.97 3cgl s LYS 123 Cb -0.12 -2.31 -0.00 0.00 -1.68 0.00 0.00 37.83 33.72 3cgl s LYS 123 CO 0.01 -0.08 -0.22 0.12 -0.76 0.00 0.00 175.35 174.42 3cgl s PHE 124 N 1.00 2.27 -0.09 3.18 2.19 0.49 -1.24 117.98 125.77 3cgl s PHE 124 Ca -0.04 -0.80 0.00 0.00 0.33 0.00 0.00 56.93 56.43 3cgl s PHE 124 Cb -0.15 -1.52 0.02 0.00 -1.31 0.00 0.00 43.02 40.07 3cgl s PHE 124 CO -0.05 -0.30 -0.08 0.99 1.83 0.00 0.00 175.22 177.62 3cgl s THR 125 N 0.15 0.95 -0.13 0.12 2.01 -0.10 -1.35 115.64 117.30 3cgl s THR 125 Ca -0.11 -0.29 0.02 0.00 0.31 0.00 0.00 61.69 61.63 3cgl s THR 125 Cb -0.15 -0.96 0.01 0.00 0.01 0.00 0.00 72.50 71.41 3cgl s THR 125 CO 0.06 0.34 -0.19 -0.83 -0.69 0.00 0.00 174.62 173.31 3cgl s GLY 126 N 1.38 1.22 0.06 4.40 0.00 -0.02 -0.61 107.32 113.76 3cgl s GLY 126 Ca -0.02 -0.93 0.01 0.00 0.00 0.00 0.00 44.72 43.78 3cgl s GLY 126 CO -0.04 0.08 -0.05 0.48 0.00 0.00 0.00 173.10 173.57 3cgl s LEU 127 N 0.88 2.44 -1.57 0.66 0.05 0.76 -1.04 118.68 120.86 3cgl s LEU 127 Ca -0.07 -0.88 0.00 0.00 0.05 0.00 0.00 54.13 53.23 3cgl s LEU 127 Cb -0.15 0.03 0.00 0.00 -2.05 0.00 0.00 46.19 44.01 3cgl s LEU 127 CO -0.02 -0.46 0.00 -3.20 -0.55 0.00 0.00 176.35 172.13 3cgl n ASN 128 N 0.41 -5.21 -4.69 1.48 5.15 -1.26 -0.97 115.26 110.17 3cgl n ASN 128 Ca -0.16 0.03 -0.42 0.00 -0.60 0.00 0.00 54.58 53.44 3cgl n ASN 128 Cb 0.59 -4.28 -0.03 0.00 -0.53 0.00 0.00 39.78 35.52 3cgl n ASN 128 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 3cgl s PHE 129 N -2.87 3.52 0.53 1.20 0.40 -1.26 -3.38 117.98 116.12 3cgl s PHE 129 Ca 0.00 1.45 -0.20 0.00 -0.60 0.00 0.00 56.93 57.58 3cgl s PHE 129 Cb 0.00 -3.06 -0.06 0.00 0.51 0.00 0.00 43.02 40.41 3cgl s PHE 129 CO 0.00 -0.14 1.17 -1.25 0.70 0.00 0.00 175.22 175.70 3cgl s PRO 130 N 1.67 3.37 0.47 0.24 0.04 -1.26 -4.92 135.00 134.61 3cgl s PRO 130 Ca 0.44 1.75 0.23 0.00 0.04 0.00 0.00 61.00 63.46 3cgl s PRO 130 Cb -0.18 -2.12 1.14 0.00 0.04 0.00 0.00 34.50 33.38 3cgl s PRO 130 CO 0.18 -0.87 1.94 -1.00 0.04 0.00 0.00 177.00 177.30 3cgl h PRO 131 N 1.39 0.00 -0.67 0.56 0.13 -2.00 -2.40 132.00 129.02 3cgl h PRO 131 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 3cgl h PRO 131 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 3cgl h PRO 131 CO 0.57 0.21 0.00 0.09 -0.23 0.00 0.00 178.00 178.64 3cgl n ASN 132 N -3.65 3.79 -4.79 1.44 5.03 -1.26 -4.34 115.26 111.49 3cgl n ASN 132 Ca -0.01 -2.00 -0.31 0.00 0.87 0.00 0.00 54.58 53.13 3cgl n ASN 132 Cb 0.33 -0.45 0.08 0.00 -1.02 0.00 0.00 39.78 38.73 3cgl n ASN 132 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 3cgl s GLY 133 N -1.01 1.66 0.57 7.41 0.00 -0.90 -4.84 107.32 110.20 3cgl s GLY 133 Ca 0.45 0.11 0.32 0.00 0.00 0.00 0.00 44.72 45.59 3cgl s GLY 133 CO 0.31 0.46 2.17 -0.56 0.00 0.00 0.00 173.10 175.48 3cgl h PRO 134 N -1.00 0.00 0.36 2.90 0.13 -1.93 -0.94 132.00 131.52 3cgl h PRO 134 Ca -0.45 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.67 3cgl h PRO 134 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 3cgl h PRO 134 CO 0.55 0.06 -0.17 0.28 -0.23 0.00 0.00 178.00 178.48 3cgl h VAL 135 N 0.00 0.15 -0.96 1.56 2.07 -1.93 0.33 116.25 117.47 3cgl h VAL 135 Ca -0.00 -0.69 0.04 0.00 0.82 0.00 0.00 66.70 66.87 3cgl h VAL 135 Cb 0.20 0.24 -0.06 0.00 -1.52 0.00 0.00 31.29 30.15 3cgl h VAL 135 CO 0.01 0.04 0.63 0.58 0.02 0.00 0.00 177.57 178.84 3cgl h VAL 136 N -1.09 1.14 0.00 2.57 2.07 -1.78 0.21 116.25 119.36 3cgl h VAL 136 Ca -0.05 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 67.07 3cgl h VAL 136 Cb 0.43 -0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.06 3cgl h VAL 136 CO 0.08 0.21 0.00 0.00 0.02 0.00 0.00 177.57 177.89 3cgl n GLN 137 N -4.45 0.87 -3.56 1.57 1.13 -0.36 -4.48 117.38 108.09 3cgl n GLN 137 Ca 0.13 0.00 -0.22 0.00 -1.94 0.00 0.00 57.00 54.98 3cgl n GLN 137 Cb 0.12 -1.50 0.08 0.00 0.11 0.00 0.00 30.24 29.05 3cgl n GLN 137 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 3cgl n LYS 138 N -1.04 -7.10 0.00 -1.09 5.02 -0.65 -4.90 118.16 108.40 3cgl n LYS 138 Ca 0.21 0.81 0.09 0.00 -2.02 0.00 0.00 58.31 57.40 3cgl n LYS 138 Cb 0.12 -5.81 -0.10 0.00 -0.02 0.00 0.00 35.03 29.23 3cgl n LYS 138 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3cgl n LYS 139 N -4.60 0.90 -2.25 1.97 4.76 0.11 -4.92 118.16 114.11 3cgl n LYS 139 Ca -0.12 -0.08 -0.38 0.00 -2.87 0.00 0.00 58.31 54.86 3cgl n LYS 139 Cb 0.61 -1.38 -0.01 0.00 -1.84 0.00 0.00 35.03 32.41 3cgl n LYS 139 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 3cgl s THR 140 N -2.71 3.09 0.00 -0.18 -4.23 -1.20 -0.27 115.64 110.14 3cgl s THR 140 Ca 0.08 0.86 0.00 0.00 -1.18 0.00 0.00 61.69 61.44 3cgl s THR 140 Cb 0.14 -3.45 0.00 0.00 1.34 0.00 0.00 72.50 70.53 3cgl s THR 140 CO 0.74 0.03 0.30 0.35 -0.54 0.00 0.00 174.62 175.50 3cgl n THR 141 N -0.26 0.00 -1.18 3.99 -2.24 -0.31 -4.83 114.28 109.45 3cgl n THR 141 Ca 0.06 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 3cgl n THR 141 Cb 0.47 1.37 0.00 0.00 -2.10 0.00 0.00 70.33 70.07 3cgl n THR 141 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3cgl n GLY 142 N 0.02 0.08 3.49 3.38 0.00 -1.25 -4.94 105.19 105.97 3cgl n GLY 142 Ca 0.00 -1.68 -0.31 0.00 0.00 0.00 0.00 46.02 44.03 3cgl n GLY 142 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3cgl s TRP 143 N -2.20 2.62 0.75 1.61 0.52 -1.26 -1.02 118.94 119.97 3cgl s TRP 143 Ca 0.00 -0.21 -0.14 0.00 0.02 0.00 0.00 56.10 55.77 3cgl s TRP 143 Cb 0.00 -1.48 0.05 0.00 -1.15 0.00 0.00 33.47 30.89 3cgl s TRP 143 CO 0.00 0.29 1.16 -1.21 0.02 0.00 0.00 176.95 177.21 3cgl s GLU 144 N -1.49 2.10 0.84 4.98 0.41 -0.76 -4.84 118.70 119.94 3cgl s GLU 144 Ca 0.15 1.57 -0.13 0.00 -0.41 0.00 0.00 54.97 56.15 3cgl s GLU 144 Cb -0.11 -1.85 0.06 0.00 -1.78 0.00 0.00 34.13 30.45 3cgl s GLU 144 CO 0.06 -1.82 0.89 -2.30 -0.49 0.00 0.00 175.26 171.60 3cgl n PRO 145 N -3.01 0.02 -4.22 0.39 -0.02 -1.26 -4.77 135.00 122.13 3cgl n PRO 145 Ca 0.12 0.07 -0.13 0.00 -2.02 0.00 0.00 63.50 61.55 3cgl n PRO 145 Cb 0.51 -2.19 -0.10 0.00 -0.02 0.00 0.00 33.50 31.70 3cgl n PRO 145 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3cgl s SER 146 N -2.03 0.72 -0.10 2.55 1.04 0.11 -4.92 113.70 111.08 3cgl s SER 146 Ca 0.67 -1.27 -0.01 0.00 0.48 0.00 0.00 55.95 55.82 3cgl s SER 146 Cb -0.28 0.23 0.03 0.00 0.10 0.00 0.00 66.02 66.10 3cgl s SER 146 CO 0.57 -0.70 -0.03 -0.89 0.98 0.00 0.00 173.24 173.17 3cgl s THR 147 N -3.90 0.64 -0.19 2.02 2.01 -1.26 -0.46 115.64 114.51 3cgl s THR 147 Ca 0.30 -0.09 -0.10 0.00 0.31 0.00 0.00 61.69 62.11 3cgl s THR 147 Cb 0.07 -0.77 -0.05 0.00 0.01 0.00 0.00 72.50 71.76 3cgl s THR 147 CO 0.07 0.27 0.14 -0.70 -0.69 0.00 0.00 174.62 173.71 3cgl s GLU 148 N 1.86 4.10 -0.13 4.92 2.12 0.94 -4.47 118.70 128.05 3cgl s GLU 148 Ca 0.05 -0.18 -0.17 0.00 0.36 0.00 0.00 54.97 55.02 3cgl s GLU 148 Cb -0.13 -3.39 -0.04 0.00 0.26 0.00 0.00 34.13 30.83 3cgl s GLU 148 CO -0.07 0.36 0.44 0.50 -0.54 0.00 0.00 175.26 175.95 3cgl s ARG 149 N 0.19 4.32 0.04 4.30 3.00 -0.38 -0.71 118.95 129.71 3cgl s ARG 149 Ca 0.10 0.37 0.07 0.00 -1.00 0.00 0.00 55.73 55.27 3cgl s ARG 149 Cb -0.11 -3.43 -0.02 0.00 0.00 0.00 0.00 34.95 31.38 3cgl s ARG 149 CO -0.01 0.17 -0.21 -0.51 0.00 0.00 0.00 175.30 174.75 3cgl s LEU 150 N 0.59 2.15 -0.00 -0.88 1.02 0.84 -0.74 118.68 121.66 3cgl s LEU 150 Ca 0.24 -0.51 -0.15 0.00 0.02 0.00 0.00 54.13 53.72 3cgl s LEU 150 Cb -0.15 -1.01 0.02 0.00 0.02 0.00 0.00 46.19 45.08 3cgl s LEU 150 CO 0.09 0.18 0.33 -0.72 0.02 0.00 0.00 176.35 176.24 3cgl s TYR 151 N -0.77 -0.19 0.35 0.29 1.13 -0.40 -1.18 117.35 116.58 3cgl s TYR 151 Ca 0.08 0.24 -0.21 0.00 -1.41 0.00 0.00 57.07 55.77 3cgl s TYR 151 Cb -0.09 0.12 -0.10 0.00 -1.10 0.00 0.00 41.96 40.79 3cgl s TYR 151 CO 0.02 -0.43 0.86 -1.25 -2.51 0.00 0.00 175.55 172.24 3cgl s PRO 152 N -1.64 4.27 -0.27 -3.49 0.04 -1.26 -1.43 135.00 131.22 3cgl s PRO 152 Ca -0.11 1.03 -0.08 0.00 0.04 0.00 0.00 61.00 61.87 3cgl s PRO 152 Cb -0.04 -2.50 0.12 0.00 0.04 0.00 0.00 34.50 32.13 3cgl s PRO 152 CO 0.03 0.15 0.57 0.50 0.04 0.00 0.00 177.00 178.29 3cgl s ARG 153 N -2.67 0.50 -1.47 4.56 6.06 -0.16 -4.94 118.95 120.82 3cgl s ARG 153 Ca 0.54 1.28 -0.07 0.00 -2.50 0.00 0.00 55.73 54.98 3cgl s ARG 153 Cb -0.13 0.67 0.02 0.00 0.06 0.00 0.00 34.95 35.57 3cgl s ARG 153 CO 0.18 -0.26 0.80 -0.25 -2.50 0.00 0.00 175.30 173.27 3cgl n ASP 154 N 5.43 -5.81 0.00 -2.12 8.00 -1.26 -1.04 116.55 119.74 3cgl n ASP 154 Ca -0.10 -0.42 0.00 0.00 0.71 0.00 0.00 54.79 54.98 3cgl n ASP 154 Cb 0.49 -4.66 0.00 0.00 -0.02 0.00 0.00 41.12 36.93 3cgl n ASP 154 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3cgl n GLY 155 N -1.64 0.57 3.65 0.44 0.00 -1.26 -5.01 105.19 101.94 3cgl n GLY 155 Ca -0.05 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.70 3cgl n GLY 155 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3cgl s VAL 156 N -2.56 2.20 -0.15 1.61 -7.23 -0.21 -4.69 120.40 109.38 3cgl s VAL 156 Ca 0.00 -1.93 -0.03 0.00 -1.81 0.00 0.00 61.98 58.21 3cgl s VAL 156 Cb 0.00 -2.94 -0.03 0.00 0.56 0.00 0.00 36.38 33.98 3cgl s VAL 156 CO 0.00 -0.05 -0.05 -0.22 -0.31 0.00 0.00 175.10 174.47 3cgl s LEU 157 N -3.76 3.19 -0.16 1.32 2.96 -0.54 -0.99 118.68 120.70 3cgl s LEU 157 Ca 0.36 -0.14 -0.01 0.00 -0.22 0.00 0.00 54.13 54.12 3cgl s LEU 157 Cb 0.06 -1.76 -0.01 0.00 0.50 0.00 0.00 46.19 44.98 3cgl s LEU 157 CO 0.19 0.18 -0.11 -0.63 -1.32 0.00 0.00 176.35 174.67 3cgl s ILE 158 N 0.27 3.12 -0.00 6.68 1.01 -0.51 0.04 121.20 131.81 3cgl s ILE 158 Ca -0.04 -0.62 0.06 0.00 0.00 0.00 0.00 60.65 60.06 3cgl s ILE 158 Cb -0.14 -2.34 -0.02 0.00 0.01 0.00 0.00 42.46 39.97 3cgl s ILE 158 CO 0.03 0.50 -0.20 -0.83 0.00 0.00 0.00 174.94 174.44 3cgl s GLY 159 N 0.70 1.01 -0.02 6.18 0.00 -0.05 -1.28 107.32 113.87 3cgl s GLY 159 Ca -0.05 -0.91 0.03 0.00 0.00 0.00 0.00 44.72 43.79 3cgl s GLY 159 CO 0.02 -0.78 -0.12 0.99 0.00 0.00 0.00 173.10 173.21 3cgl s ASP 160 N -0.65 1.44 -0.04 1.64 1.01 0.08 -0.73 116.67 119.42 3cgl s ASP 160 Ca 0.08 -0.22 0.04 0.00 0.71 0.00 0.00 52.55 53.15 3cgl s ASP 160 Cb -0.08 -0.24 -0.00 0.00 1.01 0.00 0.00 42.92 43.61 3cgl s ASP 160 CO -0.00 0.13 -0.16 -0.63 0.21 0.00 0.00 175.17 174.72 3cgl s ILE 161 N -0.13 1.31 -0.53 0.77 1.01 0.72 -1.25 121.20 123.10 3cgl s ILE 161 Ca 0.02 -0.64 -0.18 0.00 0.00 0.00 0.00 60.65 59.84 3cgl s ILE 161 Cb -0.06 -1.14 0.08 0.00 0.01 0.00 0.00 42.46 41.35 3cgl s ILE 161 CO -0.00 0.38 0.61 -1.00 0.00 0.00 0.00 174.94 174.93 3cgl s HIS 162 N 0.12 3.07 0.52 3.97 3.76 -1.26 -0.58 115.29 124.88 3cgl s HIS 162 Ca -0.05 -0.77 0.02 0.00 -0.15 0.00 0.00 55.06 54.11 3cgl s HIS 162 Cb -0.11 -3.65 -0.00 0.00 1.11 0.00 0.00 32.58 29.92 3cgl s HIS 162 CO 0.02 -1.08 0.10 -1.58 -0.85 0.00 0.00 174.74 171.35 3cgl s HIS 163 N 2.45 1.81 -0.28 1.40 2.46 0.33 -4.81 115.29 118.66 3cgl s HIS 163 Ca 0.12 -0.92 -0.24 0.00 0.47 0.00 0.00 55.06 54.48 3cgl s HIS 163 Cb -0.22 -1.69 0.11 0.00 -0.13 0.00 0.00 32.58 30.65 3cgl s HIS 163 CO 0.09 0.05 0.95 0.00 -2.47 0.00 0.00 174.74 173.36 3cgl s ALA 164 N -2.85 -1.93 0.15 1.58 0.00 -1.26 -1.56 121.76 115.88 3cgl s ALA 164 Ca 0.13 1.94 -0.16 0.00 0.00 0.00 0.00 51.96 53.86 3cgl s ALA 164 Cb 0.01 -1.39 -0.07 0.00 0.00 0.00 0.00 23.12 21.67 3cgl s ALA 164 CO 0.08 -0.27 0.59 -0.51 0.00 0.00 0.00 175.76 175.64 3cgl s LEU 165 N 0.33 4.38 0.37 0.00 1.43 0.03 -1.83 118.68 123.38 3cgl s LEU 165 Ca 0.02 1.18 -0.23 0.00 -1.03 0.00 0.00 54.13 54.07 3cgl s LEU 165 Cb -0.05 -3.25 -0.10 0.00 0.03 0.00 0.00 46.19 42.82 3cgl s LEU 165 CO -0.05 0.13 0.92 0.42 0.23 0.00 0.00 176.35 178.00 3cgl s THR 166 N -1.40 4.34 0.21 5.49 -4.23 -0.19 -0.35 115.64 119.51 3cgl s THR 166 Ca 0.37 1.59 0.10 0.00 -1.18 0.00 0.00 61.69 62.56 3cgl s THR 166 Cb -0.16 -3.79 -0.05 0.00 1.34 0.00 0.00 72.50 69.84 3cgl s THR 166 CO 0.19 -0.08 -0.19 0.68 -0.54 0.00 0.00 174.62 174.68 3cgl s VAL 167 N -1.89 2.08 0.27 2.29 -7.23 -0.53 -1.16 120.40 114.23 3cgl s VAL 167 Ca 0.55 -2.11 -0.04 0.00 -1.81 0.00 0.00 61.98 58.57 3cgl s VAL 167 Cb -0.14 -2.05 0.36 0.00 0.56 0.00 0.00 36.38 35.12 3cgl s VAL 167 CO 0.18 -0.34 1.60 -0.33 -0.31 0.00 0.00 175.10 175.90 3cgl h GLU 168 N 2.88 0.04 0.00 4.82 3.07 -0.96 -1.29 114.58 123.15 3cgl h GLU 168 Ca -0.42 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.44 3cgl h GLU 168 Cb 1.22 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 29.12 3cgl h GLU 168 CO 0.54 0.03 0.00 0.41 -1.40 0.00 0.00 179.01 178.59 3cgl n GLY 169 N -1.49 -0.57 0.00 -3.84 0.00 -1.26 -4.95 105.19 93.09 3cgl n GLY 169 Ca 0.17 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.09 3cgl n GLY 169 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cgl n GLY 170 N 0.13 -0.43 0.00 -0.02 0.00 -0.48 -5.14 105.19 99.24 3cgl n GLY 170 Ca 0.12 -1.66 0.00 0.00 0.00 0.00 0.00 46.02 44.48 3cgl n GLY 170 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cgl n GLY 171 N -0.22 1.99 3.22 -0.02 0.00 -1.26 -4.63 105.19 104.28 3cgl n GLY 171 Ca 0.00 -2.05 -0.17 0.00 0.00 0.00 0.00 46.02 43.80 3cgl n GLY 171 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3cgl s HIS 172 N -2.12 1.30 -0.26 1.61 0.09 -1.26 -1.46 115.29 113.20 3cgl s HIS 172 Ca 0.00 -0.58 0.01 0.00 -0.00 0.00 0.00 55.06 54.49 3cgl s HIS 172 Cb 0.00 -0.69 0.07 0.00 -0.00 0.00 0.00 32.58 31.96 3cgl s HIS 172 CO 0.00 0.10 -0.01 -0.47 -0.00 0.00 0.00 174.74 174.36 3cgl s TYR 173 N -2.18 2.37 0.42 1.40 6.04 0.52 -4.89 117.35 121.03 3cgl s TYR 173 Ca 0.07 -1.84 -0.13 0.00 0.04 0.00 0.00 57.07 55.21 3cgl s TYR 173 Cb -0.05 -1.73 -0.07 0.00 -1.04 0.00 0.00 41.96 39.08 3cgl s TYR 173 CO 0.02 -0.80 0.82 0.00 -1.54 0.00 0.00 175.55 174.05 3cgl s ALA 174 N 1.40 3.28 -0.09 3.97 0.00 -1.26 -0.79 121.76 128.26 3cgl s ALA 174 Ca -0.01 -0.07 -0.16 0.00 0.00 0.00 0.00 51.96 51.71 3cgl s ALA 174 Cb -0.19 -2.81 0.04 0.00 0.00 0.00 0.00 23.12 20.16 3cgl s ALA 174 CO -0.09 -0.01 0.40 0.00 0.00 0.00 0.00 175.76 176.06 3cgl s ASP 176 N -0.55 4.93 -0.17 0.00 3.68 0.05 -0.51 116.67 124.11 3cgl s ASP 176 Ca -0.07 -0.64 -0.03 0.00 2.13 0.00 0.00 52.55 53.94 3cgl s ASP 176 Cb -0.04 -1.84 -0.02 0.00 -1.45 0.00 0.00 42.92 39.57 3cgl s ASP 176 CO 0.03 -0.15 -0.04 -0.63 0.13 0.00 0.00 175.17 174.51 3cgl s ILE 177 N 1.49 3.75 -0.11 4.11 1.01 0.25 -1.18 121.20 130.52 3cgl s ILE 177 Ca 0.03 -0.40 0.02 0.00 0.00 0.00 0.00 60.65 60.30 3cgl s ILE 177 Cb -0.17 -2.65 -0.01 0.00 0.01 0.00 0.00 42.46 39.64 3cgl s ILE 177 CO 0.01 0.48 -0.18 -0.75 0.00 0.00 0.00 174.94 174.49 3cgl s LYS 178 N 0.58 3.14 -0.06 2.79 2.20 -0.31 -0.20 119.74 127.87 3cgl s LYS 178 Ca -0.03 -0.78 0.04 0.00 -0.36 0.00 0.00 55.97 54.84 3cgl s LYS 178 Cb -0.14 -2.45 -0.00 0.00 -1.51 0.00 0.00 37.83 33.73 3cgl s LYS 178 CO 0.03 0.24 -0.20 0.99 -0.36 0.00 0.00 175.35 176.04 3cgl s THR 179 N 0.25 1.65 -0.17 3.43 2.01 0.09 -0.88 115.64 122.03 3cgl s THR 179 Ca -0.12 -0.83 -0.03 0.00 0.31 0.00 0.00 61.69 61.02 3cgl s THR 179 Cb -0.16 -1.42 -0.02 0.00 0.01 0.00 0.00 72.50 70.91 3cgl s THR 179 CO 0.07 0.47 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.71 3cgl s VAL 180 N 0.10 3.47 -0.19 3.82 1.01 0.51 -0.87 120.40 128.25 3cgl s VAL 180 Ca -0.07 -0.49 -0.03 0.00 0.00 0.00 0.00 61.98 61.38 3cgl s VAL 180 Cb -0.14 -2.52 -0.01 0.00 0.00 0.00 0.00 36.38 33.71 3cgl s VAL 180 CO 0.04 0.48 -0.05 -0.31 0.00 0.00 0.00 175.10 175.25 3cgl s TYR 181 N 0.72 2.95 -0.26 5.22 2.02 0.11 -1.47 117.35 126.63 3cgl s TYR 181 Ca -0.03 -0.71 0.02 0.00 -0.37 0.00 0.00 57.07 55.97 3cgl s TYR 181 Cb -0.15 -2.03 0.07 0.00 -0.40 0.00 0.00 41.96 39.45 3cgl s TYR 181 CO 0.02 -0.36 -0.05 1.03 -1.57 0.00 0.00 175.55 174.62 3cgl s ARG 182 N 1.02 1.76 0.34 -0.62 0.52 0.15 -1.47 118.95 120.65 3cgl s ARG 182 Ca 0.00 -1.20 -0.29 0.00 -0.52 0.00 0.00 55.73 53.73 3cgl s ARG 182 Cb -0.15 -2.72 -0.11 0.00 0.52 0.00 0.00 34.95 32.49 3cgl s ARG 182 CO 0.00 -0.64 1.49 0.00 0.02 0.00 0.00 175.30 176.17 3cgl s ALA 183 N 1.26 3.61 0.35 2.13 0.00 -1.26 -1.41 121.76 126.45 3cgl s ALA 183 Ca -0.04 1.53 0.12 0.00 0.00 0.00 0.00 51.96 53.56 3cgl s ALA 183 Cb -0.19 -3.60 0.65 0.00 0.00 0.00 0.00 23.12 19.97 3cgl s ALA 183 CO -0.07 -0.98 1.79 0.87 0.00 0.00 0.00 175.76 177.37 3cgl h LYS 184 N 3.61 0.02 -5.52 0.00 1.57 -1.52 -3.42 116.57 111.32 3cgl h LYS 184 Ca -0.49 -0.01 -0.66 0.00 -1.87 0.00 0.00 60.65 57.62 3cgl h LYS 184 Cb 1.23 -0.00 -0.23 0.00 0.08 0.00 0.00 32.23 33.31 3cgl h LYS 184 CO 0.69 0.43 -0.72 0.21 -0.57 0.00 0.00 179.45 179.49 3cgl s LYS 185 N -4.11 3.32 -0.22 3.15 2.47 -1.26 -5.07 119.74 118.01 3cgl s LYS 185 Ca -0.03 -0.61 -0.40 0.00 -1.56 0.00 0.00 55.97 53.38 3cgl s LYS 185 Cb 0.14 -2.70 -0.16 0.00 -1.46 0.00 0.00 37.83 33.64 3cgl s LYS 185 CO 0.74 0.33 1.62 0.00 0.16 0.00 0.00 175.35 178.20 3cgl n ALA 186 N 3.22 -0.60 -1.75 3.13 0.00 -1.26 -4.92 120.51 118.33 3cgl n ALA 186 Ca -0.18 0.43 -0.36 0.00 0.00 0.00 0.00 53.44 53.33 3cgl n ALA 186 Cb 0.53 -2.15 0.03 0.00 0.00 0.00 0.00 19.45 17.86 3cgl n ALA 186 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3cgl s ALA 187 N 2.74 2.61 0.02 0.00 0.00 -1.26 -4.97 121.76 120.90 3cgl s ALA 187 Ca 0.96 1.03 0.07 0.00 0.00 0.00 0.00 51.96 54.02 3cgl s ALA 187 Cb -1.10 -3.46 -0.23 0.00 0.00 0.00 0.00 23.12 18.33 3cgl s ALA 187 CO 0.63 -1.13 0.92 -0.07 0.00 0.00 0.00 175.76 176.11 3cgl h LEU 188 N 1.05 0.08 -8.17 0.00 3.38 -1.97 -3.47 115.31 106.20 3cgl h LEU 188 Ca -0.50 -0.12 -0.15 0.00 0.09 0.00 0.00 57.88 57.20 3cgl h LEU 188 Cb 1.29 -0.03 -0.17 0.00 0.09 0.00 0.00 40.66 41.85 3cgl h LEU 188 CO 0.56 1.10 -0.69 -0.75 0.09 0.00 0.00 178.44 178.75 3cgl s LYS 189 N -2.64 0.53 0.09 1.13 2.20 -1.26 -5.17 119.74 114.61 3cgl s LYS 189 Ca -0.04 -1.02 0.09 0.00 -0.36 0.00 0.00 55.97 54.64 3cgl s LYS 189 Cb 0.08 0.14 -0.03 0.00 -1.51 0.00 0.00 37.83 36.51 3cgl s LYS 189 CO 0.83 -0.08 -0.23 -1.64 -0.36 0.00 0.00 175.35 173.87 3cgl s MET 190 N -3.08 1.33 0.85 4.03 -1.94 -1.26 -4.91 119.30 114.32 3cgl s MET 190 Ca -0.00 -1.15 -0.12 0.00 -1.71 0.00 0.00 55.69 52.71 3cgl s MET 190 Cb 0.02 -1.61 0.10 0.00 2.01 0.00 0.00 34.83 35.35 3cgl s MET 190 CO -0.07 0.39 1.12 -1.25 -0.01 0.00 0.00 175.02 175.21 3cgl s PRO 191 N -1.69 1.64 0.00 2.03 0.04 -1.26 -4.83 135.00 130.93 3cgl s PRO 191 Ca 0.09 0.44 0.00 0.00 0.04 0.00 0.00 61.00 61.57 3cgl s PRO 191 Cb -0.10 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.56 3cgl s PRO 191 CO 0.04 -1.88 0.00 0.41 0.04 0.00 0.00 177.00 175.61 3cgl n GLY 192 N -2.25 1.34 3.65 0.56 0.00 -1.26 -4.31 105.19 102.92 3cgl n GLY 192 Ca 0.07 -1.85 -0.43 0.00 0.00 0.00 0.00 46.02 43.81 3cgl n GLY 192 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3cgl s TYR 193 N 1.72 2.42 0.28 1.61 5.04 -1.26 -4.45 117.35 122.70 3cgl s TYR 193 Ca 0.00 0.65 -0.07 0.00 -2.44 0.00 0.00 57.07 55.21 3cgl s TYR 193 Cb 0.00 -3.76 0.03 0.00 0.35 0.00 0.00 41.96 38.58 3cgl s TYR 193 CO 0.00 -2.60 0.50 -2.39 -1.34 0.00 0.00 175.55 169.72 3cgl n HIS 194 N 7.24 -1.70 -4.17 4.97 1.44 -0.33 -4.79 115.22 117.87 3cgl n HIS 194 Ca 0.16 -1.49 -0.15 0.00 -2.01 0.00 0.00 57.72 54.23 3cgl n HIS 194 Cb 0.44 0.58 -0.11 0.00 0.12 0.00 0.00 29.99 31.02 3cgl n HIS 194 CO 0.00 0.00 0.00 0.71 -2.81 0.00 0.00 176.34 174.24 3cgl s TYR 195 N -3.85 1.08 -0.10 -1.40 2.02 -0.01 -0.12 117.35 114.97 3cgl s TYR 195 Ca 0.15 -0.59 0.01 0.00 -0.37 0.00 0.00 57.07 56.27 3cgl s TYR 195 Cb -0.03 -0.59 0.02 0.00 -0.40 0.00 0.00 41.96 40.96 3cgl s TYR 195 CO 0.11 0.01 -0.13 0.08 -1.57 0.00 0.00 175.55 174.06 3cgl s VAL 196 N -2.08 1.32 -0.15 0.71 1.01 0.12 -0.90 120.40 120.43 3cgl s VAL 196 Ca 0.03 -0.52 -0.15 0.00 0.00 0.00 0.00 61.98 61.34 3cgl s VAL 196 Cb -0.05 -1.23 -0.05 0.00 0.00 0.00 0.00 36.38 35.05 3cgl s VAL 196 CO 0.01 0.41 0.34 -1.81 0.00 0.00 0.00 175.10 174.04 3cgl s ASP 197 N 1.14 6.50 0.01 3.32 1.01 0.23 -0.04 116.67 128.84 3cgl s ASP 197 Ca -0.04 0.59 0.03 0.00 0.71 0.00 0.00 52.55 53.83 3cgl s ASP 197 Cb -0.14 -2.21 -0.01 0.00 1.01 0.00 0.00 42.92 41.57 3cgl s ASP 197 CO -0.03 0.08 -0.09 -0.89 0.21 0.00 0.00 175.17 174.45 3cgl s THR 198 N 0.47 0.73 -0.10 -1.27 2.01 0.39 -0.87 115.64 117.00 3cgl s THR 198 Ca 0.19 -0.63 -0.00 0.00 0.31 0.00 0.00 61.69 61.55 3cgl s THR 198 Cb -0.13 -0.66 0.02 0.00 0.01 0.00 0.00 72.50 71.74 3cgl s THR 198 CO 0.05 0.04 -0.06 -0.75 -0.69 0.00 0.00 174.62 173.21 3cgl s LYS 199 N -0.66 1.32 -0.13 4.92 2.20 -0.19 0.08 119.74 127.28 3cgl s LYS 199 Ca 0.00 -0.19 0.00 0.00 -0.36 0.00 0.00 55.97 55.42 3cgl s LYS 199 Cb -0.05 -1.40 -0.01 0.00 -1.51 0.00 0.00 37.83 34.85 3cgl s LYS 199 CO 0.00 -0.23 -0.13 -1.17 -0.36 0.00 0.00 175.35 173.46 3cgl s LEU 200 N 1.59 2.71 0.05 5.43 0.20 -1.26 -1.08 118.68 126.31 3cgl s LEU 200 Ca 0.02 -0.33 0.03 0.00 0.69 0.00 0.00 54.13 54.54 3cgl s LEU 200 Cb -0.13 -1.61 -0.03 0.00 -0.43 0.00 0.00 46.19 44.00 3cgl s LEU 200 CO -0.06 0.17 -0.10 0.68 -0.29 0.00 0.00 176.35 176.75 3cgl s VAL 201 N 0.32 0.75 0.01 1.68 -7.23 0.38 -4.52 120.40 111.79 3cgl s VAL 201 Ca -0.11 -1.13 -0.30 0.00 -1.81 0.00 0.00 61.98 58.63 3cgl s VAL 201 Cb -0.16 -0.78 -0.04 0.00 0.56 0.00 0.00 36.38 35.97 3cgl s VAL 201 CO 0.06 -0.30 1.06 -0.63 -0.31 0.00 0.00 175.10 174.98 3cgl s ILE 202 N -1.29 4.56 -0.13 -0.62 -1.09 -1.26 -0.31 121.20 121.06 3cgl s ILE 202 Ca -0.07 1.84 0.19 0.00 -2.23 0.00 0.00 60.65 60.39 3cgl s ILE 202 Cb -0.10 -4.18 -0.27 0.00 -1.58 0.00 0.00 42.46 36.33 3cgl s ILE 202 CO 0.01 0.12 0.29 0.79 -1.23 0.00 0.00 174.94 174.93 3cgl n TRP 203 N 4.07 0.12 -3.50 3.97 7.02 0.18 -4.91 117.44 124.38 3cgl n TRP 203 Ca 0.07 0.04 -0.12 0.00 -1.02 0.00 0.00 57.50 56.47 3cgl n TRP 203 Cb 0.49 -0.85 -0.04 0.00 -2.42 0.00 0.00 31.31 28.50 3cgl n TRP 203 CO 0.00 0.00 0.00 -0.80 -2.02 0.00 0.00 177.69 174.87 3cgl s ASN 204 N -5.20 -0.48 -0.07 -0.99 0.01 -0.81 -4.95 114.94 102.44 3cgl s ASN 204 Ca -0.09 0.25 -0.30 0.00 -0.71 0.00 0.00 52.86 52.02 3cgl s ASN 204 Cb 0.09 0.45 0.10 0.00 0.41 0.00 0.00 41.25 42.31 3cgl s ASN 204 CO 0.85 -0.64 0.85 0.54 -1.51 0.00 0.00 177.10 177.19 3cgl s ASN 205 N -1.96 -0.47 0.70 -1.22 4.22 -1.26 -0.48 114.94 114.47 3cgl s ASN 205 Ca -0.01 0.38 -0.06 0.00 -2.14 0.00 0.00 52.86 51.03 3cgl s ASN 205 Cb -0.01 0.41 0.06 0.00 1.28 0.00 0.00 41.25 43.00 3cgl s ASN 205 CO -0.03 -0.52 1.00 1.51 -2.04 0.00 0.00 177.10 177.02 3cgl s ASP 206 N -1.53 4.82 0.20 3.54 1.47 -0.65 -4.96 116.67 119.55 3cgl s ASP 206 Ca -0.03 0.42 -0.21 0.00 1.18 0.00 0.00 52.55 53.91 3cgl s ASP 206 Cb -0.00 -1.07 0.13 0.00 -0.34 0.00 0.00 42.92 41.63 3cgl s ASP 206 CO 0.01 -1.59 1.49 1.17 0.68 0.00 0.00 175.17 176.93 3cgl n LYS 207 N -2.90 -0.29 -0.22 2.11 0.00 -1.26 -1.28 118.16 114.33 3cgl n LYS 207 Ca 0.08 1.47 0.09 0.00 0.00 0.00 0.00 58.31 59.95 3cgl n LYS 207 Cb 0.60 -2.17 0.25 0.00 0.00 0.00 0.00 35.03 33.71 3cgl n LYS 207 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 3cgl n GLU 208 N -5.34 2.13 -3.85 1.64 4.71 -1.26 -4.92 120.64 113.74 3cgl n GLU 208 Ca 0.07 -1.74 -0.27 0.00 -0.01 0.00 0.00 57.16 55.21 3cgl n GLU 208 Cb 0.34 -1.40 0.02 0.00 -1.01 0.00 0.00 31.44 29.39 3cgl n GLU 208 CO 0.00 0.00 0.00 1.19 0.09 0.00 0.00 177.13 178.41 3cgl n PHE 209 N 0.92 -2.12 0.10 -0.32 3.72 -0.40 -4.65 117.46 114.71 3cgl n PHE 209 Ca 0.17 0.87 0.06 0.00 -0.05 0.00 0.00 57.45 58.50 3cgl n PHE 209 Cb 0.43 -4.09 -0.00 0.00 -0.94 0.00 0.00 39.48 34.87 3cgl n PHE 209 CO 0.00 0.00 0.00 0.52 -0.05 0.00 0.00 176.76 177.23 3cgl h MET 210 N -1.99 0.00 -3.86 -1.08 2.86 -1.92 -3.45 114.93 105.49 3cgl h MET 210 Ca -0.59 0.00 -0.38 0.00 -2.06 0.00 0.00 59.70 56.67 3cgl h MET 210 Cb 1.37 0.00 -0.34 0.00 0.06 0.00 0.00 31.60 32.69 3cgl h MET 210 CO 0.63 0.20 -0.76 0.15 1.06 0.00 0.00 176.91 178.20 3cgl s LYS 211 N -3.11 0.55 -0.02 1.72 1.02 -1.26 -0.92 119.74 117.73 3cgl s LYS 211 Ca 0.01 -0.01 -0.01 0.00 0.02 0.00 0.00 55.97 55.98 3cgl s LYS 211 Cb 0.08 -0.66 0.01 0.00 -0.52 0.00 0.00 37.83 36.74 3cgl s LYS 211 CO 0.77 -0.11 0.04 0.08 -0.92 0.00 0.00 175.35 175.21 3cgl s VAL 212 N 1.00 -0.02 -0.15 3.17 1.01 -0.58 -1.63 120.40 123.20 3cgl s VAL 212 Ca -0.10 0.06 -0.01 0.00 0.00 0.00 0.00 61.98 61.92 3cgl s VAL 212 Cb -0.14 -0.08 -0.01 0.00 0.00 0.00 0.00 36.38 36.15 3cgl s VAL 212 CO -0.01 0.02 -0.11 -0.70 0.00 0.00 0.00 175.10 174.30 3cgl s GLU 213 N 0.31 3.40 0.05 2.72 2.12 0.36 0.28 118.70 127.95 3cgl s GLU 213 Ca -0.02 -0.66 0.02 0.00 0.36 0.00 0.00 54.97 54.66 3cgl s GLU 213 Cb -0.04 -2.72 -0.03 0.00 0.26 0.00 0.00 34.13 31.60 3cgl s GLU 213 CO -0.01 0.13 -0.07 -1.83 -0.54 0.00 0.00 175.26 172.94 3cgl s GLU 214 N 0.58 0.59 -0.01 4.30 -1.05 -0.12 0.48 118.70 123.46 3cgl s GLU 214 Ca -0.07 -0.92 0.03 0.00 -0.15 0.00 0.00 54.97 53.86 3cgl s GLU 214 Cb -0.15 -0.20 -0.00 0.00 -0.44 0.00 0.00 34.13 33.34 3cgl s GLU 214 CO 0.03 0.01 -0.10 -1.58 0.95 0.00 0.00 175.26 174.57 3cgl s HIS 215 N -2.13 0.94 -0.04 4.83 2.46 0.58 -1.58 115.29 120.33 3cgl s HIS 215 Ca -0.04 -0.19 0.04 0.00 0.47 0.00 0.00 55.06 55.33 3cgl s HIS 215 Cb -0.05 -0.62 -0.00 0.00 -0.13 0.00 0.00 32.58 31.78 3cgl s HIS 215 CO -0.02 -0.04 -0.15 -2.00 -2.47 0.00 0.00 174.74 170.06 3cgl s GLU 216 N -0.12 1.66 -0.03 2.88 2.12 0.22 -0.47 118.70 124.96 3cgl s GLU 216 Ca 0.02 -0.54 0.06 0.00 0.36 0.00 0.00 54.97 54.87 3cgl s GLU 216 Cb -0.05 -1.44 -0.01 0.00 0.26 0.00 0.00 34.13 32.88 3cgl s GLU 216 CO -0.00 0.20 -0.22 -1.50 -0.54 0.00 0.00 175.26 173.19 3cgl s ILE 217 N 0.14 1.79 -0.13 -3.70 2.07 -0.25 -1.39 121.20 119.74 3cgl s ILE 217 Ca -0.05 -0.95 -0.10 0.00 -1.41 0.00 0.00 60.65 58.14 3cgl s ILE 217 Cb -0.12 -1.51 0.04 0.00 0.13 0.00 0.00 42.46 41.01 3cgl s ILE 217 CO 0.02 0.51 0.33 0.00 -1.91 0.00 0.00 174.94 173.88 3cgl s ALA 218 N -0.31 -0.80 -0.01 1.50 0.00 0.82 -1.02 121.76 121.93 3cgl s ALA 218 Ca 0.03 1.02 0.01 0.00 0.00 0.00 0.00 51.96 53.02 3cgl s ALA 218 Cb -0.11 -0.61 0.01 0.00 0.00 0.00 0.00 23.12 22.41 3cgl s ALA 218 CO 0.01 -0.18 -0.02 0.08 0.00 0.00 0.00 175.76 175.65 3cgl s VAL 219 N 0.53 0.24 0.06 0.00 1.01 -0.05 -1.19 120.40 121.00 3cgl s VAL 219 Ca -0.03 -0.06 -0.08 0.00 0.00 0.00 0.00 61.98 61.82 3cgl s VAL 219 Cb -0.04 -0.26 -0.05 0.00 0.00 0.00 0.00 36.38 36.02 3cgl s VAL 219 CO -0.03 0.11 0.34 0.00 0.00 0.00 0.00 175.10 175.52 3cgl s ALA 220 N 0.37 3.79 0.20 5.51 0.00 0.13 -0.60 121.76 131.16 3cgl s ALA 220 Ca -0.04 -0.49 -0.23 0.00 0.00 0.00 0.00 51.96 51.20 3cgl s ALA 220 Cb -0.07 -2.16 0.05 0.00 0.00 0.00 0.00 23.12 20.95 3cgl s ALA 220 CO -0.01 0.62 0.69 -0.98 0.00 0.00 0.00 175.76 176.08 3cgl s ARG 221 N -1.98 1.46 0.63 0.00 1.70 -0.07 -4.44 118.95 116.24 3cgl s ARG 221 Ca 0.32 -0.68 -0.06 0.00 -0.47 0.00 0.00 55.73 54.84 3cgl s ARG 221 Cb -0.13 0.58 0.03 0.00 -0.57 0.00 0.00 34.95 34.85 3cgl s ARG 221 CO 0.19 -0.65 0.93 -1.01 -1.08 0.00 0.00 175.30 173.67 3cgl s HIS 222 N -3.76 3.11 0.40 5.89 3.76 -1.26 -0.83 115.29 122.60 3cgl s HIS 222 Ca 0.06 0.53 -0.25 0.00 -0.15 0.00 0.00 55.06 55.25 3cgl s HIS 222 Cb -0.03 -2.90 -0.11 0.00 1.11 0.00 0.00 32.58 30.65 3cgl s HIS 222 CO -0.04 -1.04 1.01 1.58 -0.85 0.00 0.00 174.74 175.40 3cgl n HIS 223 N -2.69 1.18 -0.09 1.40 -0.00 -1.26 -4.84 115.22 108.92 3cgl n HIS 223 Ca 0.06 0.58 0.18 0.00 0.46 0.00 0.00 57.72 58.99 3cgl n HIS 223 Cb 0.59 -2.23 0.59 0.00 -0.12 0.00 0.00 29.99 28.81 3cgl n HIS 223 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 3cgl h PRO 224 N 1.62 0.22 -0.01 1.57 0.11 -2.04 0.84 132.00 134.32 3cgl h PRO 224 Ca -0.44 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3cgl h PRO 224 Cb 1.34 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.40 3cgl h PRO 224 CO 0.57 0.15 -0.12 1.19 -0.21 0.00 0.00 178.00 179.58 3cgl n PHE 225 N -4.43 0.00 0.00 0.65 3.72 -1.26 -5.31 117.46 110.83 3cgl n PHE 225 Ca 0.12 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.52 3cgl n PHE 225 Cb 0.57 -0.12 0.00 0.00 -0.94 0.00 0.00 39.48 38.98 3cgl n PHE 225 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 176.76 177.69