#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cgl s ILE 8 N 0.00 4.78 0.29 1.34 -1.09 -1.26 -4.99 121.20 120.27 3cgl s ILE 8 Ca 0.00 1.31 0.07 0.00 -2.23 0.00 0.00 60.65 59.80 3cgl s ILE 8 Cb 0.00 -4.16 -0.03 0.00 -1.58 0.00 0.00 42.46 36.69 3cgl s ILE 8 CO 0.00 -0.23 0.22 -0.54 -1.23 0.00 0.00 174.94 173.16 3cgl s LYS 9 N 2.98 2.77 0.58 2.79 3.01 -1.26 -5.02 119.74 125.59 3cgl s LYS 9 Ca 0.34 -1.20 0.32 0.00 -1.01 0.00 0.00 55.97 54.41 3cgl s LYS 9 Cb -0.14 -2.48 1.76 0.00 -1.01 0.00 0.00 37.83 35.96 3cgl s LYS 9 CO 0.12 0.26 2.19 1.05 0.51 0.00 0.00 175.35 179.47 3cgl h GLU 10 N 1.42 0.00 -3.48 1.68 9.09 -1.96 -3.40 114.58 117.93 3cgl h GLU 10 Ca -0.46 0.00 -0.28 0.00 0.05 0.00 0.00 59.36 58.66 3cgl h GLU 10 Cb 1.25 0.00 -0.33 0.00 -1.65 0.00 0.00 28.75 28.01 3cgl h GLU 10 CO 0.60 0.05 -0.70 -2.00 0.05 0.00 0.00 179.01 177.00 3cgl s GLU 11 N -4.33 -0.01 0.08 1.06 2.12 -1.26 -4.08 118.70 112.28 3cgl s GLU 11 Ca -0.04 0.22 0.03 0.00 0.36 0.00 0.00 54.97 55.53 3cgl s GLU 11 Cb 0.14 -0.22 -0.03 0.00 0.26 0.00 0.00 34.13 34.27 3cgl s GLU 11 CO 0.54 -0.16 -0.08 -1.64 -0.54 0.00 0.00 175.26 173.38 3cgl s MET 12 N 1.03 0.72 0.20 4.30 -1.94 -0.49 -4.98 119.30 118.14 3cgl s MET 12 Ca -0.08 -1.05 -0.02 0.00 -1.71 0.00 0.00 55.69 52.83 3cgl s MET 12 Cb -0.12 -0.36 -0.05 0.00 2.01 0.00 0.00 34.83 36.32 3cgl s MET 12 CO -0.03 0.05 0.40 -0.51 -0.01 0.00 0.00 175.02 174.91 3cgl s LEU 13 N -2.27 4.22 -0.12 -0.03 1.43 0.85 -0.19 118.68 122.57 3cgl s LEU 13 Ca 0.01 0.47 0.02 0.00 -1.03 0.00 0.00 54.13 53.60 3cgl s LEU 13 Cb -0.03 -3.23 0.01 0.00 0.03 0.00 0.00 46.19 42.97 3cgl s LEU 13 CO -0.01 -0.04 -0.19 -0.63 0.23 0.00 0.00 176.35 175.71 3cgl s ILE 14 N -1.84 1.79 -0.10 -0.59 1.01 0.42 -0.12 121.20 121.76 3cgl s ILE 14 Ca 0.39 -0.83 0.03 0.00 0.00 0.00 0.00 60.65 60.25 3cgl s ILE 14 Cb -0.11 -1.59 0.01 0.00 0.01 0.00 0.00 42.46 40.77 3cgl s ILE 14 CO 0.28 0.50 -0.20 -0.62 0.00 0.00 0.00 174.94 174.90 3cgl s ASP 15 N 0.79 2.77 0.01 3.58 3.68 0.15 -0.62 116.67 127.04 3cgl s ASP 15 Ca -0.09 -0.50 -0.02 0.00 2.13 0.00 0.00 52.55 54.07 3cgl s ASP 15 Cb -0.16 -1.27 -0.01 0.00 -1.45 0.00 0.00 42.92 40.03 3cgl s ASP 15 CO 0.00 0.10 0.01 -1.48 0.13 0.00 0.00 175.17 173.94 3cgl s LEU 16 N 0.57 2.07 -0.05 -1.34 0.05 0.37 -0.36 118.68 119.99 3cgl s LEU 16 Ca -0.14 -0.41 0.01 0.00 0.05 0.00 0.00 54.13 53.64 3cgl s LEU 16 Cb -0.17 0.23 0.02 0.00 -2.05 0.00 0.00 46.19 44.23 3cgl s LEU 16 CO 0.05 -0.31 -0.06 -2.28 -0.55 0.00 0.00 176.35 173.20 3cgl s HIS 17 N -1.39 0.85 -0.12 3.48 2.46 -0.36 -0.86 115.29 119.35 3cgl s HIS 17 Ca -0.15 -0.26 0.02 0.00 0.47 0.00 0.00 55.06 55.14 3cgl s HIS 17 Cb -0.09 -0.73 -0.01 0.00 -0.13 0.00 0.00 32.58 31.63 3cgl s HIS 17 CO -0.00 -0.21 -0.19 -1.17 -2.47 0.00 0.00 174.74 170.70 3cgl s LEU 18 N 0.90 2.34 -0.15 8.88 0.20 0.68 -0.55 118.68 130.98 3cgl s LEU 18 Ca -0.11 -0.47 -0.00 0.00 0.69 0.00 0.00 54.13 54.24 3cgl s LEU 18 Cb -0.14 -1.49 -0.01 0.00 -0.43 0.00 0.00 46.19 44.12 3cgl s LEU 18 CO 0.00 0.15 -0.14 -1.61 -0.29 0.00 0.00 176.35 174.47 3cgl s GLU 19 N 0.39 3.27 0.20 1.98 2.02 -0.56 -0.78 118.70 125.24 3cgl s GLU 19 Ca -0.15 -0.73 -0.10 0.00 0.02 0.00 0.00 54.97 54.01 3cgl s GLU 19 Cb -0.17 -2.64 -0.01 0.00 0.10 0.00 0.00 34.13 31.41 3cgl s GLU 19 CO 0.07 0.06 0.36 0.20 0.02 0.00 0.00 175.26 175.97 3cgl s GLY 20 N 0.72 0.56 -0.03 -1.39 0.00 0.50 -1.37 107.32 106.32 3cgl s GLY 20 Ca -0.06 -0.92 0.00 0.00 0.00 0.00 0.00 44.72 43.74 3cgl s GLY 20 CO 0.02 -0.77 -0.00 -1.59 0.00 0.00 0.00 173.10 170.75 3cgl s THR 21 N -4.00 0.17 -0.15 0.90 2.01 -0.61 -0.23 115.64 113.73 3cgl s THR 21 Ca 0.21 0.07 -0.01 0.00 0.31 0.00 0.00 61.69 62.27 3cgl s THR 21 Cb 0.02 -0.26 0.04 0.00 0.01 0.00 0.00 72.50 72.31 3cgl s THR 21 CO 0.05 0.13 -0.05 0.12 -0.69 0.00 0.00 174.62 174.18 3cgl s PHE 22 N 0.90 1.58 -1.59 4.92 5.36 0.02 -0.38 117.98 128.79 3cgl s PHE 22 Ca -0.09 -0.95 -0.11 0.00 -0.96 0.00 0.00 56.93 54.82 3cgl s PHE 22 Cb -0.12 -1.26 0.09 0.00 -0.34 0.00 0.00 43.02 41.39 3cgl s PHE 22 CO -0.02 -0.58 0.62 0.09 -1.46 0.00 0.00 175.22 173.88 3cgl n ASN 23 N 4.91 -2.09 0.00 6.13 4.13 0.18 -1.09 115.26 127.44 3cgl n ASN 23 Ca -0.12 -1.02 0.00 0.00 1.68 0.00 0.00 54.58 55.12 3cgl n ASN 23 Cb 0.48 -2.82 0.00 0.00 -1.54 0.00 0.00 39.78 35.90 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 -1.67 1.76 3.63 7.41 0.00 -1.26 -5.01 105.19 110.04 3cgl n GLY 24 Ca -0.08 0.00 -0.40 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 -3.26 3.29 0.10 1.61 5.04 -0.25 -5.05 115.29 116.77 3cgl s HIS 25 Ca 0.00 0.63 -0.23 0.00 -1.54 0.00 0.00 55.06 53.91 3cgl s HIS 25 Cb 0.00 -2.68 -0.07 0.00 0.04 0.00 0.00 32.58 29.87 3cgl s HIS 25 CO 0.00 -0.23 0.71 -0.47 -2.34 0.00 0.00 174.74 172.41 3cgl s TYR 26 N 2.12 3.82 0.11 3.88 5.04 -1.26 -0.80 117.35 130.26 3cgl s TYR 26 Ca 0.21 1.47 -0.11 0.00 -2.44 0.00 0.00 57.07 56.20 3cgl s TYR 26 Cb -0.16 -2.70 0.01 0.00 0.35 0.00 0.00 41.96 39.46 3cgl s TYR 26 CO 0.09 0.45 0.26 -0.59 -1.34 0.00 0.00 175.55 174.43 3cgl s PHE 27 N -0.76 0.08 0.02 4.97 -0.71 0.68 -4.24 117.98 118.01 3cgl s PHE 27 Ca 0.34 -0.47 0.02 0.00 -1.04 0.00 0.00 56.93 55.79 3cgl s PHE 27 Cb -0.21 0.04 -0.01 0.00 -1.21 0.00 0.00 43.02 41.62 3cgl s PHE 27 CO 0.23 -0.61 -0.07 -1.21 -1.34 0.00 0.00 175.22 172.21 3cgl s GLU 28 N -3.86 0.54 0.01 1.99 2.02 -0.54 -0.37 118.70 118.49 3cgl s GLU 28 Ca 0.06 -0.51 0.02 0.00 0.02 0.00 0.00 54.97 54.56 3cgl s GLU 28 Cb 0.04 -0.43 -0.01 0.00 0.10 0.00 0.00 34.13 33.83 3cgl s GLU 28 CO -0.10 0.10 -0.08 0.42 0.02 0.00 0.00 175.26 175.63 3cgl s ILE 29 N -0.76 0.59 0.29 -1.63 1.01 0.04 -1.56 121.20 119.17 3cgl s ILE 29 Ca -0.03 -0.47 0.11 0.00 0.00 0.00 0.00 60.65 60.26 3cgl s ILE 29 Cb -0.06 -0.52 -0.05 0.00 0.01 0.00 0.00 42.46 41.83 3cgl s ILE 29 CO 0.00 0.06 -0.16 -1.59 0.00 0.00 0.00 174.94 173.26 3cgl s LYS 30 N -0.46 1.79 0.11 2.79 -2.85 -0.27 -0.23 119.74 120.61 3cgl s LYS 30 Ca 0.01 -1.74 -0.23 0.00 -1.00 0.00 0.00 55.97 53.01 3cgl s LYS 30 Cb -0.04 -1.82 0.06 0.00 -2.06 0.00 0.00 37.83 33.97 3cgl s LYS 30 CO -0.00 0.31 0.56 0.20 0.10 0.00 0.00 175.35 176.51 3cgl s GLY 31 N -3.55 -0.52 0.07 0.59 0.00 -0.04 -0.34 107.32 103.54 3cgl s GLY 31 Ca 0.31 0.51 -0.00 0.00 0.00 0.00 0.00 44.72 45.54 3cgl s GLY 31 CO 0.16 0.20 -0.04 0.54 0.00 0.00 0.00 173.10 173.96 3cgl s LYS 32 N -3.20 0.68 0.00 2.90 1.02 -0.71 -0.48 119.74 119.95 3cgl s LYS 32 Ca -0.01 -1.25 0.00 0.00 0.02 0.00 0.00 55.97 54.72 3cgl s LYS 32 Cb -0.00 0.07 0.00 0.00 -0.52 0.00 0.00 37.83 37.38 3cgl s LYS 32 CO -0.08 -0.08 0.00 0.41 -0.92 0.00 0.00 175.35 174.68 3cgl n GLY 33 N 0.08 -0.64 3.18 -3.33 0.00 0.21 -0.19 105.19 104.49 3cgl n GLY 33 Ca -0.13 -0.78 -0.09 0.00 0.00 0.00 0.00 46.02 45.01 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 0.74 0.22 1.61 -2.85 -0.65 0.16 119.74 118.35 3cgl s LYS 34 Ca 0.00 -0.83 -0.05 0.00 -1.00 0.00 0.00 55.97 54.08 3cgl s LYS 34 Cb 0.00 0.30 -0.03 0.00 -2.06 0.00 0.00 37.83 36.04 3cgl s LYS 34 CO 0.00 -0.22 0.26 0.20 0.10 0.00 0.00 175.35 175.69 3cgl s GLY 35 N -2.49 1.11 -0.46 0.59 0.00 0.73 -1.07 107.32 105.73 3cgl s GLY 35 Ca 0.00 -1.40 0.02 0.00 0.00 0.00 0.00 44.72 43.35 3cgl s GLY 35 CO -0.08 -1.11 0.26 1.20 0.00 0.00 0.00 173.10 173.37 3cgl s GLN 36 N -4.10 1.39 0.36 2.90 1.11 0.44 -1.39 119.66 120.37 3cgl s GLN 36 Ca 0.33 -2.14 0.07 0.00 0.01 0.00 0.00 55.36 53.63 3cgl s GLN 36 Cb 0.04 -2.43 0.77 0.00 -1.01 0.00 0.00 33.01 30.38 3cgl s GLN 36 CO 0.11 -1.18 1.91 -1.35 0.01 0.00 0.00 175.29 174.79 3cgl h PRO 37 N 6.58 0.71 0.00 2.91 0.11 -1.78 -0.26 132.00 140.27 3cgl h PRO 37 Ca 0.01 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 66.02 3cgl h PRO 37 Cb 0.91 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.85 3cgl h PRO 37 CO 0.51 0.47 -0.51 -0.91 -0.21 0.00 0.00 178.00 177.35 3cgl h ASN 38 N 0.74 0.00 1.88 -2.05 2.35 -1.85 -3.16 115.58 113.49 3cgl h ASN 38 Ca 0.39 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.14 3cgl h ASN 38 Cb 0.51 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.88 3cgl h ASN 38 CO -0.16 0.22 -0.11 -0.33 -1.65 0.00 0.00 177.43 175.40 3cgl h GLU 39 N 0.00 0.00 -0.15 0.81 5.08 -1.46 -3.41 114.58 115.45 3cgl h GLU 39 Ca -0.02 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 3cgl h GLU 39 Cb 1.18 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.43 3cgl h GLU 39 CO 0.02 0.00 -0.02 0.41 -1.00 0.00 0.00 179.01 178.42 3cgl n GLY 40 N 1.11 0.35 3.19 -3.84 0.00 -0.28 -4.56 105.19 101.16 3cgl n GLY 40 Ca 0.04 -0.85 -0.23 0.00 0.00 0.00 0.00 46.02 44.98 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 -2.07 1.37 -0.02 2.61 -4.23 -1.16 -0.00 115.64 112.14 3cgl s THR 41 Ca 0.00 -1.04 -0.22 0.00 -1.18 0.00 0.00 61.69 59.25 3cgl s THR 41 Cb -0.00 -1.20 0.04 0.00 1.34 0.00 0.00 72.50 72.68 3cgl s THR 41 CO 0.00 0.14 0.48 0.54 -0.54 0.00 0.00 174.62 175.24 3cgl s ASN 42 N -1.05 -0.41 -0.07 3.99 2.20 -0.20 -0.42 114.94 118.99 3cgl s ASN 42 Ca 0.05 0.36 0.02 0.00 -0.94 0.00 0.00 52.86 52.35 3cgl s ASN 42 Cb -0.08 0.42 0.01 0.00 -2.00 0.00 0.00 41.25 39.60 3cgl s ASN 42 CO 0.01 -0.54 -0.14 -0.89 -2.94 0.00 0.00 177.10 172.61 3cgl s THR 43 N -1.36 1.27 0.14 0.54 2.01 -0.23 -0.17 115.64 117.83 3cgl s THR 43 Ca -0.12 -0.56 0.09 0.00 0.31 0.00 0.00 61.69 61.41 3cgl s THR 43 Cb -0.03 -1.15 -0.04 0.00 0.01 0.00 0.00 72.50 71.30 3cgl s THR 43 CO 0.06 0.38 -0.20 0.68 -0.69 0.00 0.00 174.62 174.86 3cgl s VAL 44 N 0.63 1.82 -0.12 3.82 -7.23 -0.39 -1.63 120.40 117.29 3cgl s VAL 44 Ca -0.15 -1.75 0.03 0.00 -1.81 0.00 0.00 61.98 58.29 3cgl s VAL 44 Cb -0.16 -1.74 0.01 0.00 0.56 0.00 0.00 36.38 35.05 3cgl s VAL 44 CO 0.04 -0.17 -0.20 0.28 -0.31 0.00 0.00 175.10 174.74 3cgl s THR 45 N -1.59 1.89 0.08 5.32 -1.32 0.74 -1.36 115.64 119.40 3cgl s THR 45 Ca 0.12 -0.89 0.05 0.00 -1.21 0.00 0.00 61.69 59.76 3cgl s THR 45 Cb -0.08 -1.67 -0.04 0.00 -1.51 0.00 0.00 72.50 69.20 3cgl s THR 45 CO 0.06 0.52 -0.05 -0.76 -2.21 0.00 0.00 174.62 172.17 3cgl s LEU 46 N 0.75 3.25 -0.05 9.08 2.01 0.10 -1.74 118.68 132.08 3cgl s LEU 46 Ca -0.10 -0.25 0.02 0.00 0.01 0.00 0.00 54.13 53.81 3cgl s LEU 46 Cb -0.16 -1.99 0.02 0.00 0.01 0.00 0.00 46.19 44.07 3cgl s LEU 46 CO 0.01 0.20 -0.09 -1.61 1.01 0.00 0.00 176.35 175.86 3cgl s GLU 47 N -2.10 1.35 -0.12 1.70 2.02 0.54 -1.11 118.70 120.98 3cgl s GLU 47 Ca 0.22 -0.30 -0.29 0.00 0.02 0.00 0.00 54.97 54.61 3cgl s GLU 47 Cb -0.11 -1.17 -0.02 0.00 0.10 0.00 0.00 34.13 32.92 3cgl s GLU 47 CO 0.14 0.00 1.21 0.08 0.02 0.00 0.00 175.26 176.71 3cgl s VAL 48 N 0.69 4.33 -0.06 2.63 1.01 0.44 -1.12 120.40 128.33 3cgl s VAL 48 Ca -0.13 1.62 0.16 0.00 0.00 0.00 0.00 61.98 63.64 3cgl s VAL 48 Cb -0.15 -4.05 -0.24 0.00 0.00 0.00 0.00 36.38 31.94 3cgl s VAL 48 CO 0.02 -0.08 0.36 0.35 0.00 0.00 0.00 175.10 175.76 3cgl n THR 49 N 5.03 0.00 -3.76 3.92 -2.24 -0.60 -4.91 114.28 111.71 3cgl n THR 49 Ca 0.12 -0.35 -0.13 0.00 -2.27 0.00 0.00 64.05 61.43 3cgl n THR 49 Cb 0.46 0.18 -0.11 0.00 -2.10 0.00 0.00 70.33 68.76 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 -3.06 0.34 -0.30 -0.78 2.36 -1.10 -4.91 119.74 112.28 3cgl s LYS 50 Ca -0.05 0.45 0.00 0.00 -2.55 0.00 0.00 55.97 53.81 3cgl s LYS 50 Cb 0.10 0.13 0.00 0.00 -1.05 0.00 0.00 37.83 37.01 3cgl s LYS 50 CO 0.66 -0.06 0.00 0.41 1.55 0.00 0.00 175.35 177.91 3cgl n GLY 51 N 3.12 0.60 3.97 5.54 0.00 -1.26 -1.47 105.19 115.70 3cgl n GLY 51 Ca -0.15 -0.67 -0.21 0.00 0.00 0.00 0.00 46.02 44.99 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 -2.71 1.55 0.41 -0.02 0.00 -1.26 -4.17 107.32 101.12 3cgl s GLY 52 Ca 0.00 -1.25 -0.25 0.00 0.00 0.00 0.00 44.72 43.22 3cgl s GLY 52 CO 0.00 -1.13 1.23 2.56 0.00 0.00 0.00 173.10 175.75 3cgl s PRO 53 N -4.34 3.95 0.28 2.90 0.04 -1.26 -5.07 135.00 131.50 3cgl s PRO 53 Ca 0.46 1.97 -0.30 0.00 0.04 0.00 0.00 61.00 63.16 3cgl s PRO 53 Cb -0.10 -2.66 -0.11 0.00 0.04 0.00 0.00 34.50 31.67 3cgl s PRO 53 CO 0.34 -0.45 1.60 -0.51 0.04 0.00 0.00 177.00 178.02 3cgl s LEU 54 N -2.57 4.35 -0.01 -3.56 1.43 -1.26 -4.87 118.68 112.19 3cgl s LEU 54 Ca 0.58 2.92 0.00 0.00 -1.03 0.00 0.00 54.13 56.60 3cgl s LEU 54 Cb -0.34 -3.63 0.01 0.00 0.03 0.00 0.00 46.19 42.26 3cgl s LEU 54 CO 0.42 -0.90 1.54 -0.81 0.23 0.00 0.00 176.35 176.83 3cgl n PRO 55 N 2.40 1.03 -3.47 1.29 -0.04 -1.26 -4.81 135.00 130.13 3cgl n PRO 55 Ca 0.09 -0.06 -0.10 0.00 -0.04 0.00 0.00 63.50 63.39 3cgl n PRO 55 Cb 0.37 -1.02 -0.02 0.00 -0.04 0.00 0.00 33.50 32.79 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 -0.06 -0.45 0.36 0.54 -0.12 -1.26 -4.73 117.98 112.25 3cgl s PHE 56 Ca 0.01 0.25 -0.28 0.00 -0.05 0.00 0.00 56.93 56.86 3cgl s PHE 56 Cb 0.01 0.56 -0.10 0.00 -0.63 0.00 0.00 43.02 42.86 3cgl s PHE 56 CO 0.00 -0.76 1.31 0.20 -0.05 0.00 0.00 175.22 175.92 3cgl s GLY 57 N -2.67 2.97 0.28 1.99 0.00 0.91 -4.91 107.32 105.90 3cgl s GLY 57 Ca 0.03 1.26 -0.03 0.00 0.00 0.00 0.00 44.72 45.98 3cgl s GLY 57 CO -0.10 1.89 1.93 -0.25 0.00 0.00 0.00 173.10 176.56 3cgl h TRP 58 N 3.15 1.08 0.00 1.90 2.91 -1.91 -3.34 115.95 119.73 3cgl h TRP 58 Ca -0.49 0.00 -0.00 0.00 1.13 0.00 0.00 58.89 59.53 3cgl h TRP 58 Cb 1.23 -0.36 -0.00 0.00 -0.51 0.00 0.00 29.16 29.53 3cgl h TRP 58 CO 0.55 0.71 -0.01 0.45 -1.03 0.00 0.00 178.44 179.10 3cgl h HIS 59 N 1.14 0.00 0.00 2.65 -0.00 -1.91 -0.69 115.15 116.34 3cgl h HIS 59 Ca 0.30 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.66 3cgl h HIS 59 Cb -0.06 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 27.35 3cgl h HIS 59 CO 0.00 0.01 -0.05 -0.84 -0.00 0.00 0.00 177.93 177.06 3cgl h ILE 60 N 0.00 0.39 0.00 2.45 3.07 -1.99 -2.04 117.51 119.39 3cgl h ILE 60 Ca -0.00 -0.26 -0.12 0.00 1.55 0.00 0.00 64.86 66.02 3cgl h ILE 60 Cb 0.03 1.18 -0.02 0.00 -0.27 0.00 0.00 36.82 37.75 3cgl h ILE 60 CO 0.00 0.05 -0.58 -0.07 -1.05 0.00 0.00 178.15 176.50 3cgl h LEU 61 N 0.00 0.00 -0.60 0.16 3.38 -1.40 -3.40 115.31 113.45 3cgl h LEU 61 Ca -0.00 0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.07 3cgl h LEU 61 Cb 0.18 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 40.82 3cgl h LEU 61 CO 0.01 0.58 -0.36 0.00 0.09 0.00 0.00 178.44 178.75 3cgl h PRO 63 N -0.17 0.00 -0.16 0.00 0.11 -1.78 -2.35 132.00 127.65 3cgl h PRO 63 Ca 0.22 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 66.13 3cgl h PRO 63 Cb 0.56 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.67 3cgl h PRO 63 CO -0.69 0.01 -0.72 1.96 -0.21 0.00 0.00 178.00 178.34 3cgl h GLN 64 N 0.00 0.70 -3.70 1.05 1.08 -0.96 -3.45 115.11 109.83 3cgl h GLN 64 Ca -0.00 -0.54 -0.54 0.00 -1.45 0.00 0.00 58.65 56.11 3cgl h GLN 64 Cb 0.07 0.10 0.02 0.00 -0.05 0.00 0.00 27.48 27.63 3cgl h GLN 64 CO 0.00 1.16 2.82 1.19 -0.95 0.00 0.00 178.83 183.05 3cgl n PHE 65 N -3.92 1.96 0.00 2.96 3.72 -0.89 -5.03 117.46 116.25 3cgl n PHE 65 Ca -0.06 -2.25 0.00 0.00 -0.05 0.00 0.00 57.45 55.09 3cgl n PHE 65 Cb 0.71 -1.94 0.00 0.00 -0.94 0.00 0.00 39.48 37.31 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 5.18 0.00 -0.40 4.37 5.15 -1.26 -5.05 115.26 123.25 3cgl n ASN 69 Ca 0.53 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.51 3cgl n ASN 69 Cb 0.25 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.50 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 0.79 0.23 1.20 4.76 -1.26 -1.50 118.16 122.38 3cgl n LYS 70 Ca 0.00 0.00 0.12 0.00 -2.87 0.00 0.00 58.31 55.56 3cgl n LYS 70 Cb 0.00 -1.31 0.40 0.00 -1.84 0.00 0.00 35.03 32.27 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 1.95 0.97 -0.72 7.82 0.00 -1.96 -3.28 119.26 124.04 3cgl h ALA 71 Ca 0.00 -0.11 -0.67 0.00 0.00 0.00 0.00 54.91 54.13 3cgl h ALA 71 Cb 0.31 -0.02 -0.18 0.00 0.00 0.00 0.00 17.79 17.91 3cgl h ALA 71 CO 0.00 0.15 1.40 1.19 0.00 0.00 0.00 179.25 181.99 3cgl n PHE 72 N -3.19 2.31 -4.71 0.00 3.72 -0.56 -4.74 117.46 110.29 3cgl n PHE 72 Ca 0.02 -2.43 -0.28 0.00 -0.05 0.00 0.00 57.45 54.70 3cgl n PHE 72 Cb 0.45 -1.53 -0.17 0.00 -0.94 0.00 0.00 39.48 37.30 3cgl n PHE 72 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 3cgl s VAL 73 N -2.35 1.55 -0.08 -4.37 1.01 -1.23 -4.26 120.40 110.69 3cgl s VAL 73 Ca 0.54 -0.70 -0.29 0.00 0.00 0.00 0.00 61.98 61.52 3cgl s VAL 73 Cb 0.28 -1.39 -0.06 0.00 0.00 0.00 0.00 36.38 35.21 3cgl s VAL 73 CO -0.18 0.45 1.85 -2.28 0.00 0.00 0.00 175.10 174.94 3cgl s HIS 74 N 0.71 1.61 -0.15 5.22 2.46 -0.60 -4.68 115.29 119.86 3cgl s HIS 74 Ca -0.12 0.06 -0.03 0.00 0.47 0.00 0.00 55.06 55.44 3cgl s HIS 74 Cb -0.16 -4.06 -0.03 0.00 -0.13 0.00 0.00 32.58 28.21 3cgl s HIS 74 CO 0.03 -4.37 -0.04 -1.01 -2.47 0.00 0.00 174.74 166.88 3cgl s HIS 75 N 5.06 3.01 0.89 3.88 3.76 -1.26 -0.08 115.29 130.55 3cgl s HIS 75 Ca 0.83 -0.28 -0.12 0.00 -0.15 0.00 0.00 55.06 55.34 3cgl s HIS 75 Cb -0.35 -1.93 0.12 0.00 1.11 0.00 0.00 32.58 31.53 3cgl s HIS 75 CO 0.35 -0.00 1.10 -1.25 -0.85 0.00 0.00 174.74 174.08 3cgl s PRO 76 N 0.25 1.34 0.58 8.40 0.04 -1.26 -4.92 135.00 139.42 3cgl s PRO 76 Ca -0.03 0.69 0.28 0.00 0.04 0.00 0.00 61.00 61.98 3cgl s PRO 76 Cb -0.14 -1.83 1.73 0.00 0.04 0.00 0.00 34.50 34.30 3cgl s PRO 76 CO 0.03 -2.15 2.23 -0.44 0.04 0.00 0.00 177.00 176.71 3cgl h ASP 77 N -1.48 0.00 -0.00 6.66 3.32 -1.99 -2.80 116.42 120.12 3cgl h ASP 77 Ca -0.50 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.55 3cgl h ASP 77 Cb 1.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.84 3cgl h ASP 77 CO 0.57 0.01 -0.02 -0.46 -1.72 0.00 0.00 179.24 177.61 3cgl n ASN 78 N -3.93 1.77 -4.22 6.45 2.04 -1.26 -4.73 115.26 111.37 3cgl n ASN 78 Ca -0.03 -1.56 -0.35 0.00 -0.44 0.00 0.00 54.58 52.20 3cgl n ASN 78 Cb 0.09 0.01 -0.14 0.00 -2.53 0.00 0.00 39.78 37.21 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 -2.03 3.08 0.26 1.53 1.01 -1.06 -5.02 121.20 118.96 3cgl s ILE 79 Ca 0.35 -1.00 -0.31 0.00 0.00 0.00 0.00 60.65 59.69 3cgl s ILE 79 Cb 0.21 -2.59 -0.12 0.00 0.01 0.00 0.00 42.46 39.97 3cgl s ILE 79 CO 0.34 0.15 1.64 -2.28 0.00 0.00 0.00 174.94 174.79 3cgl s HIS 80 N 1.35 2.82 -1.11 3.97 5.65 -1.26 -4.69 115.29 122.02 3cgl s HIS 80 Ca 0.00 0.61 -0.06 0.00 0.25 0.00 0.00 55.06 55.86 3cgl s HIS 80 Cb -0.17 -4.09 0.29 0.00 -1.18 0.00 0.00 32.58 27.42 3cgl s HIS 80 CO -0.03 -3.87 1.44 -3.47 -0.65 0.00 0.00 174.74 168.16 3cgl n ASP 81 N 2.94 6.11 -0.29 9.88 4.64 -1.26 -4.45 116.55 134.11 3cgl n ASP 81 Ca 0.11 -3.30 0.11 0.00 -1.38 0.00 0.00 54.79 50.34 3cgl n ASP 81 Cb 0.37 -1.32 0.26 0.00 -1.04 0.00 0.00 41.12 39.39 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 5.75 0.27 -0.00 -0.67 5.03 -1.91 -0.93 116.97 124.51 3cgl h TYR 82 Ca 0.22 0.05 -0.03 0.00 2.58 0.00 0.00 58.73 61.54 3cgl h TYR 82 Cb 0.67 0.02 0.00 0.00 1.55 0.00 0.00 36.73 38.97 3cgl h TYR 82 CO 0.99 -0.22 -0.13 -0.07 -1.32 0.00 0.00 178.16 177.41 3cgl h LEU 83 N 0.19 0.11 -1.29 2.82 3.38 -1.89 -1.92 115.31 116.71 3cgl h LEU 83 Ca 0.53 -0.78 0.11 0.00 0.09 0.00 0.00 57.88 57.82 3cgl h LEU 83 Cb 1.04 -0.03 -0.06 0.00 0.09 0.00 0.00 40.66 41.69 3cgl h LEU 83 CO -0.66 0.88 0.55 0.11 0.09 0.00 0.00 178.44 179.40 3cgl h LYS 84 N -0.64 0.75 0.00 1.13 1.57 -1.82 -1.96 116.57 115.60 3cgl h LYS 84 Ca -0.02 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 3cgl h LYS 84 Cb 0.89 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 33.04 3cgl h LYS 84 CO 0.02 0.50 0.00 1.28 -0.57 0.00 0.00 179.45 180.68 3cgl n LEU 85 N -4.52 0.11 0.22 2.94 4.32 -0.37 -3.01 117.00 116.69 3cgl n LEU 85 Ca 0.15 0.51 0.08 0.00 -0.02 0.00 0.00 56.01 56.73 3cgl n LEU 85 Cb 0.35 -0.48 0.47 0.00 -1.62 0.00 0.00 43.42 42.15 3cgl n LEU 85 CO 0.31 -0.04 0.79 0.77 -1.22 0.00 0.00 177.39 178.01 3cgl h SER 86 N 0.00 0.00 -4.13 -1.43 4.64 -0.52 -3.45 113.55 108.65 3cgl h SER 86 Ca 0.00 0.00 -0.46 0.00 -0.47 0.00 0.00 61.79 60.86 3cgl h SER 86 Cb 0.52 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.61 3cgl h SER 86 CO 0.00 0.27 0.36 -0.36 -0.87 0.00 0.00 176.83 176.23 3cgl s PHE 87 N -3.85 3.38 0.37 4.77 0.08 -1.16 -2.07 117.98 119.50 3cgl s PHE 87 Ca -0.01 1.53 0.22 0.00 0.12 0.00 0.00 56.93 58.80 3cgl s PHE 87 Cb 0.12 -2.82 1.16 0.00 -0.57 0.00 0.00 43.02 40.91 3cgl s PHE 87 CO 0.65 -0.26 1.97 -1.00 -0.10 0.00 0.00 175.22 176.48 3cgl h PRO 88 N 1.37 0.00 -0.44 0.24 0.13 -1.89 -3.46 132.00 127.94 3cgl h PRO 88 Ca -0.48 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.63 3cgl h PRO 88 Cb 1.18 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.29 3cgl h PRO 88 CO 0.61 0.20 0.18 0.93 -0.23 0.00 0.00 178.00 179.69 3cgl h GLU 89 N 0.00 0.62 0.00 0.86 3.07 -1.89 -3.38 114.58 113.86 3cgl h GLU 89 Ca -0.00 -0.08 0.00 0.00 -0.50 0.00 0.00 59.36 58.78 3cgl h GLU 89 Cb 0.47 -0.12 0.00 0.00 -0.84 0.00 0.00 28.75 28.26 3cgl h GLU 89 CO 0.03 0.50 0.00 0.41 -1.40 0.00 0.00 179.01 178.55 3cgl n GLY 90 N -1.18 -2.44 3.33 -3.84 0.00 -0.88 -4.82 105.19 95.36 3cgl n GLY 90 Ca 0.03 -1.84 -0.10 0.00 0.00 0.00 0.00 46.02 44.12 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 -0.34 0.43 0.11 1.61 -0.85 -1.16 -1.82 117.35 115.34 3cgl s TYR 91 Ca 0.00 -0.80 0.09 0.00 -0.52 0.00 0.00 57.07 55.84 3cgl s TYR 91 Cb 0.00 -0.08 -0.04 0.00 0.38 0.00 0.00 41.96 42.22 3cgl s TYR 91 CO 0.00 -0.72 -0.17 0.95 -1.52 0.00 0.00 175.55 174.10 3cgl s THR 92 N -3.98 2.93 0.18 -3.49 -4.23 0.32 -0.95 115.64 106.43 3cgl s THR 92 Ca 0.18 -1.45 0.08 0.00 -1.18 0.00 0.00 61.69 59.31 3cgl s THR 92 Cb 0.03 -2.35 -0.04 0.00 1.34 0.00 0.00 72.50 71.48 3cgl s THR 92 CO 0.01 0.11 -0.15 -1.66 -0.54 0.00 0.00 174.62 172.38 3cgl s TRP 93 N -1.15 1.70 -0.06 3.99 1.48 0.54 -0.21 118.94 125.23 3cgl s TRP 93 Ca 0.18 -0.54 -0.02 0.00 -1.06 0.00 0.00 56.10 54.66 3cgl s TRP 93 Cb -0.11 -0.82 0.04 0.00 -1.16 0.00 0.00 33.47 31.42 3cgl s TRP 93 CO 0.11 0.32 0.11 -1.83 -4.06 0.00 0.00 176.95 171.60 3cgl s GLU 94 N -3.27 0.03 -0.01 3.25 -1.05 -0.79 -0.97 118.70 115.90 3cgl s GLU 94 Ca 0.19 0.37 0.02 0.00 -0.15 0.00 0.00 54.97 55.39 3cgl s GLU 94 Cb -0.03 -0.24 -0.00 0.00 -0.44 0.00 0.00 34.13 33.42 3cgl s GLU 94 CO 0.06 -0.21 -0.06 0.50 0.95 0.00 0.00 175.26 176.50 3cgl s ARG 95 N 1.45 0.56 0.04 -4.83 3.52 0.11 -0.77 118.95 119.03 3cgl s ARG 95 Ca -0.06 -0.22 0.07 0.00 -0.13 0.00 0.00 55.73 55.39 3cgl s ARG 95 Cb -0.12 -0.55 -0.03 0.00 -1.56 0.00 0.00 34.95 32.69 3cgl s ARG 95 CO -0.05 0.12 -0.17 -1.54 -0.81 0.00 0.00 175.30 172.85 3cgl s SER 96 N -0.05 3.87 -0.21 -2.12 1.04 -0.24 -0.44 113.70 115.54 3cgl s SER 96 Ca 0.01 -0.40 -0.00 0.00 0.48 0.00 0.00 55.95 56.04 3cgl s SER 96 Cb -0.04 -0.65 0.06 0.00 0.10 0.00 0.00 66.02 65.49 3cgl s SER 96 CO -0.00 0.26 -0.04 -0.04 0.98 0.00 0.00 173.24 174.39 3cgl s MET 97 N -1.43 1.45 -0.29 4.02 1.00 0.70 -1.28 119.30 123.47 3cgl s MET 97 Ca 0.15 -0.80 -0.11 0.00 0.00 0.00 0.00 55.69 54.94 3cgl s MET 97 Cb -0.11 -2.39 -0.04 0.00 0.00 0.00 0.00 34.83 32.30 3cgl s MET 97 CO 0.05 -0.56 0.18 -1.01 0.00 0.00 0.00 175.02 173.68 3cgl s HIS 98 N 1.52 3.20 0.34 -0.03 3.76 0.12 -0.79 115.29 123.40 3cgl s HIS 98 Ca -0.04 -0.10 -0.00 0.00 -0.15 0.00 0.00 55.06 54.77 3cgl s HIS 98 Cb -0.18 -2.37 -0.04 0.00 1.11 0.00 0.00 32.58 31.11 3cgl s HIS 98 CO -0.07 -0.26 0.55 -0.06 -0.85 0.00 0.00 174.74 174.05 3cgl s PHE 99 N 1.71 3.50 0.35 1.40 0.08 -0.28 -0.29 117.98 124.45 3cgl s PHE 99 Ca 0.06 0.40 0.39 0.00 0.12 0.00 0.00 56.93 57.90 3cgl s PHE 99 Cb -0.16 -1.93 1.83 0.00 -0.57 0.00 0.00 43.02 42.19 3cgl s PHE 99 CO 0.09 0.13 2.16 1.05 -0.10 0.00 0.00 175.22 178.55 3cgl h GLU 100 N 0.92 0.00 -0.65 0.44 4.11 -1.61 -2.43 114.58 115.35 3cgl h GLU 100 Ca -0.49 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.94 3cgl h GLU 100 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 3cgl h GLU 100 CO 0.62 0.00 0.00 -0.40 0.07 0.00 0.00 179.01 179.30 3cgl n ASP 101 N -3.09 4.98 0.00 3.06 3.85 -1.26 -4.93 116.55 119.16 3cgl n ASP 101 Ca -0.01 -2.52 0.00 0.00 -0.71 0.00 0.00 54.79 51.55 3cgl n ASP 101 Cb 0.20 -0.60 0.00 0.00 -1.35 0.00 0.00 41.12 39.37 3cgl n ASP 101 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3cgl n GLY 102 N 1.10 3.19 3.69 6.12 0.00 -0.91 -4.68 105.19 113.69 3cgl n GLY 102 Ca 0.27 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.87 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 0.49 2.88 -0.02 0.00 -1.23 -4.74 105.19 100.57 3cgl n GLY 103 Ca 0.00 0.27 -0.17 0.00 0.00 0.00 0.00 46.02 46.12 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 -1.10 1.53 -0.04 0.99 2.96 -0.17 -1.13 118.68 121.72 3cgl s LEU 104 Ca 0.57 -0.07 0.05 0.00 -0.22 0.00 0.00 54.13 54.47 3cgl s LEU 104 Cb -0.56 -0.27 -0.02 0.00 0.50 0.00 0.00 46.19 45.84 3cgl s LEU 104 CO 0.61 -0.03 -0.20 0.00 -1.32 0.00 0.00 176.35 175.41 3cgl s ILE 107 N 1.57 1.05 0.11 0.00 1.09 0.41 -0.55 121.20 124.88 3cgl s ILE 107 Ca 0.05 -0.77 0.06 0.00 -1.10 0.00 0.00 60.65 58.89 3cgl s ILE 107 Cb -0.13 -0.92 -0.04 0.00 -1.06 0.00 0.00 42.46 40.32 3cgl s ILE 107 CO -0.10 0.14 -0.14 0.42 -0.10 0.00 0.00 174.94 175.16 3cgl s THR 108 N -0.58 1.28 -0.07 2.92 -4.23 -0.06 0.07 115.64 114.96 3cgl s THR 108 Ca 0.03 -1.65 -0.04 0.00 -1.18 0.00 0.00 61.69 58.85 3cgl s THR 108 Cb -0.06 -1.46 0.03 0.00 1.34 0.00 0.00 72.50 72.35 3cgl s THR 108 CO 0.00 -0.39 0.18 0.21 -0.54 0.00 0.00 174.62 174.08 3cgl s ASN 109 N -2.35 -0.17 -0.28 3.99 3.84 -0.14 -1.30 114.94 118.54 3cgl s ASN 109 Ca 0.07 0.36 -0.04 0.00 0.21 0.00 0.00 52.86 53.47 3cgl s ASN 109 Cb -0.06 0.28 0.03 0.00 -0.55 0.00 0.00 41.25 40.95 3cgl s ASN 109 CO 0.03 -0.13 0.01 -0.62 -2.79 0.00 0.00 177.10 173.60 3cgl s ASP 110 N 0.89 4.75 -0.22 -4.21 -1.08 -0.91 -0.34 116.67 115.55 3cgl s ASP 110 Ca -0.07 -0.90 -0.08 0.00 -0.52 0.00 0.00 52.55 50.98 3cgl s ASP 110 Cb -0.08 -1.76 -0.04 0.00 -1.46 0.00 0.00 42.92 39.58 3cgl s ASP 110 CO -0.05 -0.18 0.08 -0.63 0.52 0.00 0.00 175.17 174.91 3cgl s ILE 111 N 1.38 4.73 0.35 4.11 1.09 -0.12 -1.91 121.20 130.82 3cgl s ILE 111 Ca -0.00 -0.04 0.06 0.00 -1.10 0.00 0.00 60.65 59.56 3cgl s ILE 111 Cb -0.18 -3.17 -0.07 0.00 -1.06 0.00 0.00 42.46 37.98 3cgl s ILE 111 CO -0.01 0.39 0.02 -0.94 -0.10 0.00 0.00 174.94 174.30 3cgl s SER 112 N 0.93 3.04 -0.07 3.58 1.04 -0.77 -2.96 113.70 118.49 3cgl s SER 112 Ca 0.04 -1.34 -0.01 0.00 0.48 0.00 0.00 55.95 55.13 3cgl s SER 112 Cb -0.14 -0.22 0.03 0.00 0.10 0.00 0.00 66.02 65.79 3cgl s SER 112 CO 0.03 -0.49 0.00 -0.22 0.98 0.00 0.00 173.24 173.54 3cgl s LEU 113 N -3.57 0.63 -0.09 2.42 2.96 -1.26 -1.19 118.68 118.58 3cgl s LEU 113 Ca 0.35 -0.08 0.00 0.00 -0.22 0.00 0.00 54.13 54.18 3cgl s LEU 113 Cb 0.08 -0.42 0.02 0.00 0.50 0.00 0.00 46.19 46.37 3cgl s LEU 113 CO 0.16 -0.19 -0.08 0.28 -1.32 0.00 0.00 176.35 175.20 3cgl s THR 114 N 1.89 0.96 0.00 3.68 -1.32 -0.86 -4.97 115.64 115.02 3cgl s THR 114 Ca 0.04 -0.30 0.00 0.00 -1.21 0.00 0.00 61.69 60.22 3cgl s THR 114 Cb -0.12 -0.96 0.00 0.00 -1.51 0.00 0.00 72.50 69.91 3cgl s THR 114 CO -0.05 0.34 0.00 0.61 -2.21 0.00 0.00 174.62 173.31 3cgl n GLY 115 N 4.52 3.26 1.31 6.08 0.00 -1.26 -2.24 105.19 116.87 3cgl n GLY 115 Ca -0.17 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.71 3cgl n GLY 115 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3cgl n ASN 116 N 5.95 3.78 -4.12 1.61 5.15 -1.26 -4.96 115.26 121.42 3cgl n ASN 116 Ca 0.00 -3.29 -0.32 0.00 -0.60 0.00 0.00 54.58 50.37 3cgl n ASN 116 Cb 0.00 -0.63 -0.16 0.00 -0.53 0.00 0.00 39.78 38.45 3cgl n ASN 116 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3cgl s PHE 118 N 1.10 3.67 -0.16 0.00 0.40 0.83 -2.03 117.98 121.79 3cgl s PHE 118 Ca -0.01 1.68 0.00 0.00 -0.60 0.00 0.00 56.93 58.00 3cgl s PHE 118 Cb -0.14 -3.21 -0.00 0.00 0.51 0.00 0.00 43.02 40.18 3cgl s PHE 118 CO -0.07 -0.36 -0.15 -0.47 0.70 0.00 0.00 175.22 174.86 3cgl s TYR 119 N -0.46 2.78 -0.25 0.36 5.04 -0.33 0.32 117.35 124.82 3cgl s TYR 119 Ca 0.47 -1.06 -0.08 0.00 -2.44 0.00 0.00 57.07 53.97 3cgl s TYR 119 Cb -0.29 -1.89 -0.03 0.00 0.35 0.00 0.00 41.96 40.10 3cgl s TYR 119 CO 0.35 -0.49 0.08 0.71 -1.34 0.00 0.00 175.55 174.86 3cgl s TYR 120 N 0.84 3.10 -0.73 4.97 4.12 0.51 -1.86 117.35 128.31 3cgl s TYR 120 Ca -0.05 -0.35 -0.12 0.00 0.02 0.00 0.00 57.07 56.57 3cgl s TYR 120 Cb -0.15 -2.23 0.19 0.00 -1.52 0.00 0.00 41.96 38.24 3cgl s TYR 120 CO -0.01 -0.31 0.65 0.34 0.02 0.00 0.00 175.55 176.24 3cgl s ASP 121 N 1.53 6.36 -0.12 2.29 2.15 -0.80 -1.23 116.67 126.85 3cgl s ASP 121 Ca 0.06 -2.55 -0.07 0.00 0.43 0.00 0.00 52.55 50.43 3cgl s ASP 121 Cb -0.15 -2.14 -0.04 0.00 -0.30 0.00 0.00 42.92 40.29 3cgl s ASP 121 CO 0.04 -0.59 0.13 -0.63 -0.17 0.00 0.00 175.17 173.95 3cgl s ILE 122 N 0.40 5.40 -0.07 4.11 1.01 0.29 -2.15 121.20 130.19 3cgl s ILE 122 Ca 0.15 0.17 0.01 0.00 0.00 0.00 0.00 60.65 60.98 3cgl s ILE 122 Cb -0.16 -3.35 0.02 0.00 0.01 0.00 0.00 42.46 38.99 3cgl s ILE 122 CO -0.06 0.62 -0.07 -0.54 0.00 0.00 0.00 174.94 174.89 3cgl s LYS 123 N -0.99 1.23 -0.08 2.79 1.02 -0.42 -1.49 119.74 121.80 3cgl s LYS 123 Ca 0.15 -0.20 0.03 0.00 0.02 0.00 0.00 55.97 55.97 3cgl s LYS 123 Cb -0.12 -1.21 0.00 0.00 -0.52 0.00 0.00 37.83 35.99 3cgl s LYS 123 CO 0.04 -0.13 -0.19 0.12 -0.92 0.00 0.00 175.35 174.27 3cgl s PHE 124 N 1.19 2.05 -0.12 3.18 5.36 -0.47 -0.89 117.98 128.29 3cgl s PHE 124 Ca -0.06 -0.79 0.01 0.00 -0.96 0.00 0.00 56.93 55.13 3cgl s PHE 124 Cb -0.14 -1.41 0.02 0.00 -0.34 0.00 0.00 43.02 41.15 3cgl s PHE 124 CO -0.02 -0.34 -0.12 0.99 -1.46 0.00 0.00 175.22 174.28 3cgl s THR 125 N 0.43 1.30 -0.10 0.12 2.01 0.28 -1.57 115.64 118.12 3cgl s THR 125 Ca -0.16 -0.49 0.03 0.00 0.31 0.00 0.00 61.69 61.38 3cgl s THR 125 Cb -0.17 -1.24 -0.01 0.00 0.01 0.00 0.00 72.50 71.10 3cgl s THR 125 CO 0.06 0.41 -0.20 -0.83 -0.69 0.00 0.00 174.62 173.37 3cgl s GLY 126 N 1.34 1.41 0.04 4.40 0.00 0.49 -0.31 107.32 114.69 3cgl s GLY 126 Ca -0.00 -0.96 -0.10 0.00 0.00 0.00 0.00 44.72 43.65 3cgl s GLY 126 CO -0.06 -0.39 0.22 0.48 0.00 0.00 0.00 173.10 173.35 3cgl s LEU 127 N 0.14 1.26 -1.58 0.66 0.05 0.37 -0.64 118.68 118.93 3cgl s LEU 127 Ca -0.10 -0.31 0.00 0.00 0.05 0.00 0.00 54.13 53.77 3cgl s LEU 127 Cb -0.16 1.03 0.00 0.00 -2.05 0.00 0.00 46.19 45.01 3cgl s LEU 127 CO 0.06 -0.55 0.00 -3.20 -0.55 0.00 0.00 176.35 172.11 3cgl n ASN 128 N 0.73 -4.89 -4.67 1.48 5.15 -1.26 -1.00 115.26 110.79 3cgl n ASN 128 Ca -0.19 0.23 -0.43 0.00 -0.60 0.00 0.00 54.58 53.59 3cgl n ASN 128 Cb 0.59 -3.90 -0.02 0.00 -0.53 0.00 0.00 39.78 35.92 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 -2.69 3.20 0.52 1.20 0.08 -1.26 -3.49 117.98 115.54 3cgl s PHE 129 Ca 0.00 1.30 -0.21 0.00 0.12 0.00 0.00 56.93 58.13 3cgl s PHE 129 Cb 0.00 -3.36 -0.06 0.00 -0.57 0.00 0.00 43.02 39.03 3cgl s PHE 129 CO 0.00 -1.00 1.20 -1.25 -0.10 0.00 0.00 175.22 174.07 3cgl s PRO 130 N 2.76 3.40 0.52 0.24 0.04 -1.26 -4.91 135.00 135.79 3cgl s PRO 130 Ca 0.51 1.84 0.27 0.00 0.04 0.00 0.00 61.00 63.66 3cgl s PRO 130 Cb -0.20 -2.20 1.45 0.00 0.04 0.00 0.00 34.50 33.58 3cgl s PRO 130 CO 0.15 -0.86 2.08 -1.00 0.04 0.00 0.00 177.00 177.41 3cgl h PRO 131 N 1.53 0.00 -0.47 0.56 0.13 -1.99 -2.69 132.00 129.07 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 0.58 0.11 0.00 0.09 -0.23 0.00 0.00 178.00 178.55 3cgl n ASN 132 N -3.70 3.40 -4.81 1.44 5.03 -1.26 -4.27 115.26 111.09 3cgl n ASN 132 Ca -0.02 -1.96 -0.30 0.00 0.87 0.00 0.00 54.58 53.18 3cgl n ASN 132 Cb 0.23 -0.31 0.09 0.00 -1.02 0.00 0.00 39.78 38.77 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 -1.17 1.62 0.58 7.41 0.00 -1.01 -4.85 107.32 109.89 3cgl s GLY 133 Ca 0.37 -0.29 0.28 0.00 0.00 0.00 0.00 44.72 45.08 3cgl s GLY 133 CO 0.27 0.15 2.24 -0.56 0.00 0.00 0.00 173.10 175.21 3cgl h PRO 134 N -1.10 0.00 0.25 2.90 0.13 -1.94 -1.30 132.00 130.94 3cgl h PRO 134 Ca -0.47 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.65 3cgl h PRO 134 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 3cgl h PRO 134 CO 0.60 0.01 -0.12 0.28 -0.23 0.00 0.00 178.00 178.54 3cgl h VAL 135 N 0.00 0.00 -0.99 1.56 2.07 -1.93 0.45 116.25 117.41 3cgl h VAL 135 Ca -0.00 -0.53 0.05 0.00 0.82 0.00 0.00 66.70 67.04 3cgl h VAL 135 Cb 0.01 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 29.72 3cgl h VAL 135 CO 0.00 0.00 0.64 0.58 0.02 0.00 0.00 177.57 178.82 3cgl h VAL 136 N -0.86 1.13 0.00 2.57 2.07 -1.80 0.29 116.25 119.65 3cgl h VAL 136 Ca -0.03 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 67.07 3cgl h VAL 136 Cb 0.25 -0.19 0.00 0.00 -1.52 0.00 0.00 31.29 29.84 3cgl h VAL 136 CO 0.06 0.22 0.00 0.00 0.02 0.00 0.00 177.57 177.87 3cgl n GLN 137 N -4.48 0.83 -3.60 1.57 1.13 -0.49 -4.54 117.38 107.79 3cgl n GLN 137 Ca 0.14 0.00 -0.22 0.00 -1.94 0.00 0.00 57.00 54.99 3cgl n GLN 137 Cb 0.14 -1.50 0.04 0.00 0.11 0.00 0.00 30.24 29.03 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 -1.02 -3.89 -0.00 -1.09 5.02 -0.53 -4.91 118.16 111.72 3cgl n LYS 138 Ca 0.20 0.65 0.06 0.00 -2.02 0.00 0.00 58.31 57.20 3cgl n LYS 138 Cb 0.10 -5.13 0.05 0.00 -0.02 0.00 0.00 35.03 30.03 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 -4.07 0.72 -2.63 1.97 4.01 0.15 -4.93 118.16 113.38 3cgl n LYS 139 Ca -0.22 -1.24 -0.39 0.00 -0.51 0.00 0.00 58.31 55.95 3cgl n LYS 139 Cb 0.65 -1.23 -0.05 0.00 -0.51 0.00 0.00 35.03 33.89 3cgl n LYS 139 CO 0.00 0.00 0.00 0.95 -1.11 0.00 0.00 177.40 177.24 3cgl s THR 140 N -1.00 3.84 0.00 -0.18 -4.23 -1.20 -0.87 115.64 112.00 3cgl s THR 140 Ca 0.14 1.69 0.00 0.00 -1.18 0.00 0.00 61.69 62.34 3cgl s THR 140 Cb 0.10 -4.01 0.00 0.00 1.34 0.00 0.00 72.50 69.93 3cgl s THR 140 CO 0.15 0.28 0.48 0.35 -0.54 0.00 0.00 174.62 175.34 3cgl n THR 141 N 0.87 0.12 -0.53 3.99 -2.24 0.04 -4.85 114.28 111.68 3cgl n THR 141 Ca 0.01 -0.47 0.00 0.00 -2.27 0.00 0.00 64.05 61.32 3cgl n THR 141 Cb 0.47 1.10 0.00 0.00 -2.10 0.00 0.00 70.33 69.80 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 -0.06 -0.17 3.68 3.38 0.00 -1.25 -4.92 105.19 105.84 3cgl n GLY 142 Ca 0.00 -1.71 -0.32 0.00 0.00 0.00 0.00 46.02 44.00 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 -1.73 3.02 0.84 1.61 0.52 -1.26 -0.25 118.94 121.69 3cgl s TRP 143 Ca 0.00 0.02 -0.10 0.00 0.02 0.00 0.00 56.10 56.04 3cgl s TRP 143 Cb 0.00 -1.61 0.10 0.00 -1.15 0.00 0.00 33.47 30.81 3cgl s TRP 143 CO 0.00 0.46 1.11 -1.21 0.02 0.00 0.00 176.95 177.33 3cgl s GLU 144 N -1.85 1.65 0.85 4.98 0.41 -0.78 -4.83 118.70 119.13 3cgl s GLU 144 Ca 0.22 1.29 -0.11 0.00 -0.41 0.00 0.00 54.97 55.97 3cgl s GLU 144 Cb -0.12 -1.82 0.10 0.00 -1.78 0.00 0.00 34.13 30.52 3cgl s GLU 144 CO 0.13 -2.11 1.10 -2.14 -0.49 0.00 0.00 175.26 171.75 3cgl s PRO 145 N -4.80 1.64 0.26 0.39 0.02 -1.26 -4.75 135.00 126.50 3cgl s PRO 145 Ca 0.64 1.15 0.02 0.00 0.02 0.00 0.00 61.00 62.83 3cgl s PRO 145 Cb -0.20 -1.83 -0.05 0.00 0.02 0.00 0.00 34.50 32.44 3cgl s PRO 145 CO 0.57 -2.07 0.05 -1.54 -0.33 0.00 0.00 177.00 173.69 3cgl s SER 146 N -3.22 1.58 -0.09 2.53 1.04 0.64 -4.93 113.70 111.25 3cgl s SER 146 Ca 0.63 -1.32 -0.02 0.00 0.48 0.00 0.00 55.95 55.72 3cgl s SER 146 Cb -0.19 0.07 0.04 0.00 0.10 0.00 0.00 66.02 66.04 3cgl s SER 146 CO 0.57 -0.64 0.03 -0.89 0.98 0.00 0.00 173.24 173.29 3cgl s THR 147 N -3.57 0.26 -0.14 2.02 2.01 -1.26 -1.33 115.64 113.64 3cgl s THR 147 Ca 0.34 0.06 -0.10 0.00 0.31 0.00 0.00 61.69 62.30 3cgl s THR 147 Cb 0.07 -0.54 -0.05 0.00 0.01 0.00 0.00 72.50 72.00 3cgl s THR 147 CO 0.12 0.13 0.19 -0.70 -0.69 0.00 0.00 174.62 173.67 3cgl s GLU 148 N 2.01 3.87 -0.20 4.92 2.12 0.64 -4.40 118.70 127.66 3cgl s GLU 148 Ca 0.04 -0.06 -0.12 0.00 0.36 0.00 0.00 54.97 55.19 3cgl s GLU 148 Cb -0.13 -3.31 -0.05 0.00 0.26 0.00 0.00 34.13 30.90 3cgl s GLU 148 CO -0.06 0.52 0.20 0.50 -0.54 0.00 0.00 175.26 175.89 3cgl s ARG 149 N -0.33 4.19 0.06 4.30 3.00 -0.24 -1.27 118.95 128.65 3cgl s ARG 149 Ca 0.14 -0.10 0.09 0.00 -1.00 0.00 0.00 55.73 54.86 3cgl s ARG 149 Cb -0.12 -3.45 -0.03 0.00 0.00 0.00 0.00 34.95 31.34 3cgl s ARG 149 CO 0.03 0.21 -0.25 -0.51 0.00 0.00 0.00 175.30 174.78 3cgl s LEU 150 N 0.61 2.19 0.01 -0.88 1.43 0.18 -1.09 118.68 121.12 3cgl s LEU 150 Ca 0.11 -0.60 -0.13 0.00 -1.03 0.00 0.00 54.13 52.49 3cgl s LEU 150 Cb -0.12 -1.20 0.02 0.00 0.03 0.00 0.00 46.19 44.91 3cgl s LEU 150 CO 0.02 0.22 0.27 -0.72 0.23 0.00 0.00 176.35 176.37 3cgl s TYR 151 N -0.84 -0.09 0.42 0.29 -0.85 -0.21 -0.88 117.35 115.19 3cgl s TYR 151 Ca 0.11 0.04 -0.16 0.00 -0.52 0.00 0.00 57.07 56.53 3cgl s TYR 151 Cb -0.10 0.06 -0.09 0.00 0.38 0.00 0.00 41.96 42.21 3cgl s TYR 151 CO 0.02 -0.42 0.88 -1.25 -1.52 0.00 0.00 175.55 173.26 3cgl s PRO 152 N -1.92 4.02 -0.29 -3.49 0.04 -1.26 -1.44 135.00 130.65 3cgl s PRO 152 Ca -0.10 0.85 -0.15 0.00 0.04 0.00 0.00 61.00 61.64 3cgl s PRO 152 Cb -0.03 -2.27 0.14 0.00 0.04 0.00 0.00 34.50 32.38 3cgl s PRO 152 CO 0.00 -0.05 0.89 0.50 0.04 0.00 0.00 177.00 178.38 3cgl s ARG 153 N -3.50 0.43 -1.78 4.56 6.06 -0.35 -4.94 118.95 119.43 3cgl s ARG 153 Ca 0.57 0.87 -0.00 0.00 -2.50 0.00 0.00 55.73 54.67 3cgl s ARG 153 Cb -0.10 0.30 0.00 0.00 0.06 0.00 0.00 34.95 35.21 3cgl s ARG 153 CO 0.22 -0.11 0.01 -0.25 -2.50 0.00 0.00 175.30 172.67 3cgl n ASP 154 N 4.40 -5.91 0.00 -2.12 10.43 -1.26 -0.82 116.55 121.27 3cgl n ASP 154 Ca -0.15 -0.02 0.00 0.00 2.57 0.00 0.00 54.79 57.19 3cgl n ASP 154 Cb 0.55 -4.92 0.00 0.00 1.84 0.00 0.00 41.12 38.59 3cgl n ASP 154 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3cgl n GLY 155 N -1.02 0.80 3.67 0.44 0.00 -1.26 -5.02 105.19 102.80 3cgl n GLY 155 Ca -0.24 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.52 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 -3.30 2.37 -0.13 1.61 -7.23 0.00 -4.67 120.40 109.06 3cgl s VAL 156 Ca 0.00 -1.86 -0.03 0.00 -1.81 0.00 0.00 61.98 58.28 3cgl s VAL 156 Cb 0.00 -2.92 -0.03 0.00 0.56 0.00 0.00 36.38 33.99 3cgl s VAL 156 CO 0.00 -0.08 -0.01 -0.22 -0.31 0.00 0.00 175.10 174.48 3cgl s LEU 157 N -3.79 3.44 -0.10 1.32 2.96 -0.75 -1.21 118.68 120.55 3cgl s LEU 157 Ca 0.37 0.01 0.04 0.00 -0.22 0.00 0.00 54.13 54.33 3cgl s LEU 157 Cb 0.04 -1.81 -0.00 0.00 0.50 0.00 0.00 46.19 44.91 3cgl s LEU 157 CO 0.20 0.26 -0.24 -0.63 -1.32 0.00 0.00 176.35 174.63 3cgl s ILE 158 N -0.19 2.05 -0.00 6.68 1.01 -0.52 -0.15 121.20 130.08 3cgl s ILE 158 Ca 0.04 -1.02 0.04 0.00 0.00 0.00 0.00 60.65 59.72 3cgl s ILE 158 Cb -0.13 -1.77 -0.01 0.00 0.01 0.00 0.00 42.46 40.56 3cgl s ILE 158 CO 0.02 0.56 -0.14 -0.83 0.00 0.00 0.00 174.94 174.55 3cgl s GLY 159 N 0.34 0.68 -0.03 6.18 0.00 0.57 -1.05 107.32 114.01 3cgl s GLY 159 Ca -0.19 -0.61 0.02 0.00 0.00 0.00 0.00 44.72 43.94 3cgl s GLY 159 CO 0.09 -0.52 -0.08 0.99 0.00 0.00 0.00 173.10 173.58 3cgl s ASP 160 N -0.42 1.12 -0.03 1.64 1.01 -0.25 -0.13 116.67 119.61 3cgl s ASP 160 Ca 0.05 -0.17 0.05 0.00 0.71 0.00 0.00 52.55 53.19 3cgl s ASP 160 Cb -0.06 -0.38 -0.01 0.00 1.01 0.00 0.00 42.92 43.49 3cgl s ASP 160 CO -0.00 0.03 -0.17 -0.63 0.21 0.00 0.00 175.17 174.60 3cgl s ILE 161 N 0.41 1.41 -0.59 0.77 1.01 0.50 -1.08 121.20 123.64 3cgl s ILE 161 Ca -0.06 -0.74 -0.14 0.00 0.00 0.00 0.00 60.65 59.71 3cgl s ILE 161 Cb -0.10 -1.20 0.15 0.00 0.01 0.00 0.00 42.46 41.32 3cgl s ILE 161 CO 0.01 0.40 0.53 -1.00 0.00 0.00 0.00 174.94 174.88 3cgl s HIS 162 N -0.20 3.39 0.54 3.97 3.76 -1.26 -0.76 115.29 124.74 3cgl s HIS 162 Ca 0.02 -1.58 0.06 0.00 -0.15 0.00 0.00 55.06 53.40 3cgl s HIS 162 Cb -0.09 -3.74 0.04 0.00 1.11 0.00 0.00 32.58 29.90 3cgl s HIS 162 CO 0.01 -1.00 0.41 -1.58 -0.85 0.00 0.00 174.74 171.72 3cgl s HIS 163 N 1.20 1.68 -0.27 1.40 2.46 -0.19 -4.82 115.29 116.76 3cgl s HIS 163 Ca 0.07 -0.82 -0.25 0.00 0.47 0.00 0.00 55.06 54.53 3cgl s HIS 163 Cb -0.25 -1.93 0.09 0.00 -0.13 0.00 0.00 32.58 30.36 3cgl s HIS 163 CO -0.00 -0.46 0.86 0.00 -2.47 0.00 0.00 174.74 172.66 3cgl s ALA 164 N -2.75 -1.86 0.05 1.58 0.00 -1.26 -1.94 121.76 115.56 3cgl s ALA 164 Ca 0.35 1.94 -0.08 0.00 0.00 0.00 0.00 51.96 54.17 3cgl s ALA 164 Cb -0.02 -1.25 -0.05 0.00 0.00 0.00 0.00 23.12 21.79 3cgl s ALA 164 CO 0.22 -0.30 0.34 -0.51 0.00 0.00 0.00 175.76 175.51 3cgl s LEU 165 N 0.25 4.36 0.44 0.00 1.43 -0.32 -1.87 118.68 122.96 3cgl s LEU 165 Ca 0.01 0.67 -0.17 0.00 -1.03 0.00 0.00 54.13 53.61 3cgl s LEU 165 Cb -0.05 -2.84 -0.09 0.00 0.03 0.00 0.00 46.19 43.24 3cgl s LEU 165 CO -0.02 0.21 0.90 0.42 0.23 0.00 0.00 176.35 178.08 3cgl s THR 166 N -1.36 4.55 0.09 5.49 -4.23 0.65 -0.36 115.64 120.47 3cgl s THR 166 Ca 0.31 1.17 0.06 0.00 -1.18 0.00 0.00 61.69 62.04 3cgl s THR 166 Cb -0.14 -3.66 -0.03 0.00 1.34 0.00 0.00 72.50 70.01 3cgl s THR 166 CO 0.17 -0.45 -0.16 -0.69 -0.54 0.00 0.00 174.62 172.96 3cgl s VAL 167 N -2.32 1.31 0.06 2.29 1.01 -0.83 -0.78 120.40 121.14 3cgl s VAL 167 Ca 0.58 -1.49 -0.13 0.00 0.00 0.00 0.00 61.98 60.94 3cgl s VAL 167 Cb -0.10 -1.32 -0.04 0.00 0.00 0.00 0.00 36.38 34.93 3cgl s VAL 167 CO 0.23 -0.25 1.23 -0.33 0.00 0.00 0.00 175.10 175.97 3cgl h GLU 168 N 4.00 -0.06 -0.37 2.72 5.08 -1.33 -1.57 114.58 123.05 3cgl h GLU 168 Ca -0.42 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.95 3cgl h GLU 168 Cb 1.19 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.46 3cgl h GLU 168 CO 0.43 -0.04 0.00 0.41 -1.00 0.00 0.00 179.01 178.81 3cgl n GLY 169 N -1.13 0.31 0.00 -3.84 0.00 -1.26 -4.91 105.19 94.36 3cgl n GLY 169 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.16 0.01 0.00 -0.02 0.00 -0.59 -5.13 105.19 99.62 3cgl n GLY 170 Ca 0.00 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.25 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 0.16 -0.48 3.23 -0.02 0.00 -1.26 -4.58 105.19 102.22 3cgl n GLY 171 Ca 0.00 -1.75 -0.16 0.00 0.00 0.00 0.00 46.02 44.11 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 -1.68 1.29 -0.30 1.61 0.09 -1.26 -1.96 115.29 113.08 3cgl s HIS 172 Ca 0.00 -0.61 0.02 0.00 -0.00 0.00 0.00 55.06 54.46 3cgl s HIS 172 Cb 0.00 -0.68 0.09 0.00 -0.00 0.00 0.00 32.58 31.99 3cgl s HIS 172 CO 0.00 0.10 0.02 -0.47 -0.00 0.00 0.00 174.74 174.39 3cgl s TYR 173 N -2.41 2.77 0.54 1.40 6.04 0.51 -4.92 117.35 121.27 3cgl s TYR 173 Ca 0.09 -2.25 -0.16 0.00 0.04 0.00 0.00 57.07 54.79 3cgl s TYR 173 Cb -0.03 -2.14 -0.06 0.00 -1.04 0.00 0.00 41.96 38.68 3cgl s TYR 173 CO 0.02 -0.87 1.01 0.00 -1.54 0.00 0.00 175.55 174.17 3cgl s ALA 174 N 1.25 2.94 -0.05 3.97 0.00 -1.26 -1.18 121.76 127.43 3cgl s ALA 174 Ca 0.05 0.28 -0.18 0.00 0.00 0.00 0.00 51.96 52.10 3cgl s ALA 174 Cb -0.19 -3.17 0.04 0.00 0.00 0.00 0.00 23.12 19.80 3cgl s ALA 174 CO -0.12 -0.44 0.40 0.00 0.00 0.00 0.00 175.76 175.60 3cgl s ASP 176 N -0.99 4.22 -0.16 0.00 -1.08 0.60 -1.02 116.67 118.25 3cgl s ASP 176 Ca -0.10 -0.40 -0.01 0.00 -0.52 0.00 0.00 52.55 51.52 3cgl s ASP 176 Cb -0.04 -1.72 -0.01 0.00 -1.46 0.00 0.00 42.92 39.70 3cgl s ASP 176 CO 0.05 -0.01 -0.12 -0.63 0.52 0.00 0.00 175.17 174.98 3cgl s ILE 177 N 1.39 3.00 -0.14 4.11 1.01 0.06 -0.70 121.20 129.93 3cgl s ILE 177 Ca 0.05 -0.66 0.00 0.00 0.00 0.00 0.00 60.65 60.04 3cgl s ILE 177 Cb -0.14 -2.29 -0.01 0.00 0.01 0.00 0.00 42.46 40.03 3cgl s ILE 177 CO -0.03 0.50 -0.14 -0.75 0.00 0.00 0.00 174.94 174.52 3cgl s LYS 178 N 0.71 3.33 -0.05 2.79 2.20 -0.40 -0.37 119.74 127.96 3cgl s LYS 178 Ca -0.06 -0.71 0.05 0.00 -0.36 0.00 0.00 55.97 54.90 3cgl s LYS 178 Cb -0.15 -2.63 -0.01 0.00 -1.51 0.00 0.00 37.83 33.53 3cgl s LYS 178 CO 0.02 0.15 -0.21 0.99 -0.36 0.00 0.00 175.35 175.93 3cgl s THR 179 N 0.50 1.75 -0.18 3.43 2.01 0.81 -1.08 115.64 122.88 3cgl s THR 179 Ca -0.09 -0.90 -0.02 0.00 0.31 0.00 0.00 61.69 60.99 3cgl s THR 179 Cb -0.16 -1.48 -0.00 0.00 0.01 0.00 0.00 72.50 70.86 3cgl s THR 179 CO 0.04 0.49 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.67 3cgl s VAL 180 N -0.13 3.00 -0.26 3.82 1.01 0.05 -0.31 120.40 127.58 3cgl s VAL 180 Ca -0.02 -0.64 -0.09 0.00 0.00 0.00 0.00 61.98 61.23 3cgl s VAL 180 Cb -0.12 -2.31 -0.04 0.00 0.00 0.00 0.00 36.38 33.91 3cgl s VAL 180 CO 0.02 0.48 0.11 -0.31 0.00 0.00 0.00 175.10 175.40 3cgl s TYR 181 N 1.08 3.13 -0.27 5.22 2.02 0.79 -1.89 117.35 127.43 3cgl s TYR 181 Ca 0.00 -0.23 0.02 0.00 -0.37 0.00 0.00 57.07 56.50 3cgl s TYR 181 Cb -0.15 -2.28 0.06 0.00 -0.40 0.00 0.00 41.96 39.19 3cgl s TYR 181 CO -0.02 -0.28 -0.08 1.03 -1.57 0.00 0.00 175.55 174.63 3cgl s ARG 182 N 1.64 2.19 0.35 -0.62 0.52 0.71 -1.81 118.95 121.92 3cgl s ARG 182 Ca 0.07 -1.40 -0.28 0.00 -0.52 0.00 0.00 55.73 53.60 3cgl s ARG 182 Cb -0.15 -2.97 -0.10 0.00 0.52 0.00 0.00 34.95 32.25 3cgl s ARG 182 CO 0.06 -0.62 1.34 0.00 0.02 0.00 0.00 175.30 176.10 3cgl s ALA 183 N 1.10 3.48 0.19 2.13 0.00 -1.26 -0.52 121.76 126.87 3cgl s ALA 183 Ca -0.06 1.32 0.03 0.00 0.00 0.00 0.00 51.96 53.24 3cgl s ALA 183 Cb -0.20 -3.50 0.09 0.00 0.00 0.00 0.00 23.12 19.51 3cgl s ALA 183 CO -0.05 -0.75 1.45 0.87 0.00 0.00 0.00 175.76 177.28 3cgl h LYS 184 N 3.20 0.23 -5.43 0.00 1.57 -1.68 -3.42 116.57 111.05 3cgl h LYS 184 Ca -0.49 -0.21 -0.63 0.00 -1.87 0.00 0.00 60.65 57.45 3cgl h LYS 184 Cb 1.23 0.05 -0.15 0.00 0.08 0.00 0.00 32.23 33.44 3cgl h LYS 184 CO 0.65 0.89 -0.57 0.21 -0.57 0.00 0.00 179.45 180.06 3cgl s LYS 185 N -3.44 3.75 0.15 3.15 2.47 -1.26 -5.07 119.74 119.48 3cgl s LYS 185 Ca -0.04 -0.34 -0.34 0.00 -1.56 0.00 0.00 55.97 53.69 3cgl s LYS 185 Cb 0.11 -3.12 -0.16 0.00 -1.46 0.00 0.00 37.83 33.19 3cgl s LYS 185 CO 0.82 0.39 1.19 0.00 0.16 0.00 0.00 175.35 177.90 3cgl n ALA 186 N 3.16 -0.96 -1.77 3.13 0.00 -1.26 -4.92 120.51 117.88 3cgl n ALA 186 Ca -0.17 0.48 -0.39 0.00 0.00 0.00 0.00 53.44 53.36 3cgl n ALA 186 Cb 0.53 -2.02 -0.02 0.00 0.00 0.00 0.00 19.45 17.93 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 -0.05 3.22 -0.05 0.00 0.00 -1.26 -4.97 121.76 118.64 3cgl s ALA 187 Ca 0.76 0.97 -0.26 0.00 0.00 0.00 0.00 51.96 53.43 3cgl s ALA 187 Cb -0.89 -3.38 -0.22 0.00 0.00 0.00 0.00 23.12 18.64 3cgl s ALA 187 CO 0.51 -0.47 1.13 1.37 0.00 0.00 0.00 175.76 178.31 3cgl h LEU 188 N 2.87 0.05 -9.10 0.00 -0.00 -1.98 -3.47 115.31 103.68 3cgl h LEU 188 Ca -0.48 -0.64 -0.48 0.00 -0.00 0.00 0.00 57.88 56.27 3cgl h LEU 188 Cb 1.23 -0.01 -0.14 0.00 -0.00 0.00 0.00 40.66 41.73 3cgl h LEU 188 CO 0.63 0.68 -0.68 -1.59 -0.00 0.00 0.00 178.44 177.48 3cgl s LYS 189 N -3.67 1.52 0.05 0.17 0.00 -1.26 -5.16 119.74 111.39 3cgl s LYS 189 Ca -0.16 -1.76 0.04 0.00 0.00 0.00 0.00 55.97 54.09 3cgl s LYS 189 Cb 0.01 -1.13 -0.02 0.00 0.00 0.00 0.00 37.83 36.68 3cgl s LYS 189 CO 0.69 0.05 -0.13 -1.64 0.00 0.00 0.00 175.35 174.32 3cgl s MET 190 N -3.72 0.82 0.89 1.78 1.00 -1.26 -4.91 119.30 113.89 3cgl s MET 190 Ca 0.29 -0.81 -0.12 0.00 0.00 0.00 0.00 55.69 55.05 3cgl s MET 190 Cb 0.03 -0.80 0.12 0.00 0.00 0.00 0.00 34.83 34.19 3cgl s MET 190 CO 0.11 0.19 1.14 -1.25 0.00 0.00 0.00 175.02 175.21 3cgl s PRO 191 N -1.38 1.33 0.00 2.03 0.04 -1.26 -4.88 135.00 130.87 3cgl s PRO 191 Ca -0.01 0.31 0.00 0.00 0.04 0.00 0.00 61.00 61.34 3cgl s PRO 191 Cb -0.09 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.59 3cgl s PRO 191 CO 0.01 -2.07 0.00 0.41 0.04 0.00 0.00 177.00 175.39 3cgl n GLY 192 N -2.32 1.07 3.66 0.56 0.00 -1.26 -4.37 105.19 102.52 3cgl n GLY 192 Ca 0.07 -1.94 -0.42 0.00 0.00 0.00 0.00 46.02 43.73 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 1.10 1.78 0.18 1.61 5.04 -1.26 -4.54 117.35 121.25 3cgl s TYR 193 Ca 0.00 0.02 -0.06 0.00 -2.44 0.00 0.00 57.07 54.59 3cgl s TYR 193 Cb 0.00 -4.01 0.02 0.00 0.35 0.00 0.00 41.96 38.32 3cgl s TYR 193 CO 0.00 -4.32 0.33 -2.39 -1.34 0.00 0.00 175.55 167.83 3cgl n HIS 194 N 7.32 -1.48 -4.19 4.97 1.44 -0.06 -4.83 115.22 118.40 3cgl n HIS 194 Ca 0.18 -0.89 -0.17 0.00 -2.01 0.00 0.00 57.72 54.84 3cgl n HIS 194 Cb 0.42 0.39 -0.12 0.00 0.12 0.00 0.00 29.99 30.80 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 -5.54 0.92 -0.16 -1.40 2.02 0.20 0.50 117.35 113.90 3cgl s TYR 195 Ca 0.08 -0.39 0.02 0.00 -0.37 0.00 0.00 57.07 56.41 3cgl s TYR 195 Cb -0.02 -0.55 0.01 0.00 -0.40 0.00 0.00 41.96 41.01 3cgl s TYR 195 CO 0.06 -0.01 -0.21 0.08 -1.57 0.00 0.00 175.55 173.91 3cgl s VAL 196 N -1.03 2.11 -0.08 0.71 1.01 -0.40 -0.39 120.40 122.33 3cgl s VAL 196 Ca -0.03 -0.95 -0.23 0.00 0.00 0.00 0.00 61.98 60.77 3cgl s VAL 196 Cb -0.08 -1.86 -0.04 0.00 0.00 0.00 0.00 36.38 34.40 3cgl s VAL 196 CO 0.01 0.54 0.68 -1.81 0.00 0.00 0.00 175.10 174.52 3cgl s ASP 197 N 0.99 6.95 0.03 3.32 1.01 0.27 -0.26 116.67 128.98 3cgl s ASP 197 Ca -0.02 1.14 0.05 0.00 0.71 0.00 0.00 52.55 54.43 3cgl s ASP 197 Cb -0.15 -2.40 -0.02 0.00 1.01 0.00 0.00 42.92 41.37 3cgl s ASP 197 CO -0.06 -0.11 -0.16 -0.89 0.21 0.00 0.00 175.17 174.16 3cgl s THR 198 N 0.84 1.27 -0.08 -1.27 2.01 -0.44 -0.41 115.64 117.56 3cgl s THR 198 Ca 0.36 -1.00 -0.01 0.00 0.31 0.00 0.00 61.69 61.36 3cgl s THR 198 Cb -0.17 -1.12 0.03 0.00 0.01 0.00 0.00 72.50 71.24 3cgl s THR 198 CO 0.17 0.11 -0.04 -0.75 -0.69 0.00 0.00 174.62 173.42 3cgl s LYS 199 N -1.02 1.00 -0.09 4.92 2.47 0.46 -0.26 119.74 127.21 3cgl s LYS 199 Ca 0.04 -0.06 0.04 0.00 -1.56 0.00 0.00 55.97 54.43 3cgl s LYS 199 Cb -0.08 -1.19 -0.00 0.00 -1.46 0.00 0.00 37.83 35.10 3cgl s LYS 199 CO 0.01 -0.25 -0.23 -1.17 0.16 0.00 0.00 175.35 173.87 3cgl s LEU 200 N 1.72 2.17 0.05 5.43 0.20 -1.26 -1.24 118.68 125.74 3cgl s LEU 200 Ca 0.03 -0.52 0.04 0.00 0.69 0.00 0.00 54.13 54.37 3cgl s LEU 200 Cb -0.13 -1.43 -0.02 0.00 -0.43 0.00 0.00 46.19 44.18 3cgl s LEU 200 CO -0.05 0.18 -0.12 -0.69 -0.29 0.00 0.00 176.35 175.38 3cgl s VAL 201 N 0.21 0.92 -0.36 1.68 1.01 -0.52 -4.55 120.40 118.80 3cgl s VAL 201 Ca -0.14 -1.07 -0.21 0.00 0.00 0.00 0.00 61.98 60.56 3cgl s VAL 201 Cb -0.17 -0.88 0.00 0.00 0.00 0.00 0.00 36.38 35.33 3cgl s VAL 201 CO 0.07 -0.16 0.67 -0.63 0.00 0.00 0.00 175.10 175.05 3cgl s ILE 202 N -1.07 4.86 0.03 2.22 -1.09 -1.26 -0.83 121.20 124.06 3cgl s ILE 202 Ca -0.02 0.65 -0.17 0.00 -2.23 0.00 0.00 60.65 58.87 3cgl s ILE 202 Cb -0.09 -4.10 -0.23 0.00 -1.58 0.00 0.00 42.46 36.46 3cgl s ILE 202 CO 0.01 -0.34 1.14 -0.50 -1.23 0.00 0.00 174.94 174.03 3cgl h TRP 203 N 8.46 0.79 -2.38 3.97 4.06 -0.47 -3.49 115.95 126.90 3cgl h TRP 203 Ca -0.26 -0.42 0.13 0.00 2.06 0.00 0.00 58.89 60.40 3cgl h TRP 203 Cb 1.11 -0.09 -0.11 0.00 -1.00 0.00 0.00 29.16 29.06 3cgl h TRP 203 CO 0.76 1.25 0.46 0.54 -3.56 0.00 0.00 178.44 177.89 3cgl s ASN 204 N -6.96 -0.28 0.01 -3.49 4.22 -0.99 -5.00 114.94 102.45 3cgl s ASN 204 Ca -0.12 -0.22 -0.28 0.00 -2.14 0.00 0.00 52.86 50.10 3cgl s ASN 204 Cb 0.05 0.46 0.08 0.00 1.28 0.00 0.00 41.25 43.12 3cgl s ASN 204 CO 0.86 -0.80 0.71 0.54 -2.04 0.00 0.00 177.10 176.37 3cgl s ASN 205 N -2.74 -0.56 0.69 3.54 4.22 -1.26 0.05 114.94 118.87 3cgl s ASN 205 Ca 0.08 0.37 -0.11 0.00 -2.14 0.00 0.00 52.86 51.06 3cgl s ASN 205 Cb -0.01 0.51 0.01 0.00 1.28 0.00 0.00 41.25 43.04 3cgl s ASN 205 CO -0.03 -0.70 1.08 1.51 -2.04 0.00 0.00 177.10 176.92 3cgl s ASP 206 N -1.84 5.57 0.30 3.54 3.84 -0.97 -4.95 116.67 122.18 3cgl s ASP 206 Ca -0.04 1.16 0.07 0.00 -0.00 0.00 0.00 52.55 53.73 3cgl s ASP 206 Cb -0.00 -2.00 0.78 0.00 -1.38 0.00 0.00 42.92 40.31 3cgl s ASP 206 CO -0.01 -1.26 1.75 0.50 -0.00 0.00 0.00 175.17 176.15 3cgl h LYS 207 N -0.58 0.62 -0.08 2.11 3.11 -2.02 -0.73 116.57 118.99 3cgl h LYS 207 Ca -0.45 -0.04 0.00 0.00 -2.81 0.00 0.00 60.65 57.35 3cgl h LYS 207 Cb 1.24 -0.14 0.00 0.00 -1.00 0.00 0.00 32.23 32.33 3cgl h LYS 207 CO 0.63 0.41 0.00 -0.85 -2.81 0.00 0.00 179.45 176.83 3cgl n GLU 208 N -4.86 1.79 -3.68 1.90 0.00 -1.26 -4.95 120.64 109.59 3cgl n GLU 208 Ca 0.24 -1.17 -0.25 0.00 0.00 0.00 0.00 57.16 55.98 3cgl n GLU 208 Cb 0.64 -1.45 0.06 0.00 0.00 0.00 0.00 31.44 30.69 3cgl n GLU 208 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32 3cgl n PHE 209 N 0.40 -2.62 0.07 -1.84 3.72 -0.28 -4.63 117.46 112.29 3cgl n PHE 209 Ca 0.18 0.97 0.03 0.00 -0.05 0.00 0.00 57.45 58.58 3cgl n PHE 209 Cb 0.38 -4.72 -0.04 0.00 -0.94 0.00 0.00 39.48 34.16 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 -2.43 0.00 -3.91 -1.08 2.86 -1.93 -3.45 114.93 105.00 3cgl h MET 210 Ca -0.58 0.00 -0.42 0.00 -2.06 0.00 0.00 59.70 56.65 3cgl h MET 210 Cb 1.37 0.00 -0.35 0.00 0.06 0.00 0.00 31.60 32.68 3cgl h MET 210 CO 0.59 0.25 -0.77 0.21 1.06 0.00 0.00 176.91 178.24 3cgl s LYS 211 N -3.04 0.74 -0.02 1.72 2.20 -1.26 -0.42 119.74 119.66 3cgl s LYS 211 Ca -0.01 -0.03 0.01 0.00 -0.36 0.00 0.00 55.97 55.59 3cgl s LYS 211 Cb 0.09 -0.87 0.01 0.00 -1.51 0.00 0.00 37.83 35.54 3cgl s LYS 211 CO 0.79 -0.16 -0.05 0.08 -0.36 0.00 0.00 175.35 175.65 3cgl s VAL 212 N 1.27 0.47 -0.23 4.02 1.01 -0.27 -2.28 120.40 124.40 3cgl s VAL 212 Ca -0.06 -0.17 -0.06 0.00 0.00 0.00 0.00 61.98 61.70 3cgl s VAL 212 Cb -0.14 -0.45 -0.02 0.00 0.00 0.00 0.00 36.38 35.77 3cgl s VAL 212 CO -0.02 0.17 0.02 -1.61 0.00 0.00 0.00 175.10 173.66 3cgl s GLU 213 N 0.40 3.57 0.08 2.72 0.41 0.11 0.00 118.70 125.99 3cgl s GLU 213 Ca -0.05 -0.53 0.03 0.00 -0.41 0.00 0.00 54.97 54.02 3cgl s GLU 213 Cb -0.09 -3.16 -0.03 0.00 -1.78 0.00 0.00 34.13 29.07 3cgl s GLU 213 CO -0.00 -0.13 -0.10 -1.83 -0.49 0.00 0.00 175.26 172.71 3cgl s GLU 214 N 1.38 0.76 -0.03 1.61 -1.05 -0.46 0.33 118.70 121.24 3cgl s GLU 214 Ca 0.05 -1.03 0.02 0.00 -0.15 0.00 0.00 54.97 53.86 3cgl s GLU 214 Cb -0.15 -0.49 0.01 0.00 -0.44 0.00 0.00 34.13 33.06 3cgl s GLU 214 CO 0.01 0.08 -0.09 -1.58 0.95 0.00 0.00 175.26 174.63 3cgl s HIS 215 N -2.06 0.98 -0.14 4.83 5.65 -0.01 -1.27 115.29 123.27 3cgl s HIS 215 Ca 0.01 -0.26 0.02 0.00 0.25 0.00 0.00 55.06 55.08 3cgl s HIS 215 Cb -0.05 -0.72 0.01 0.00 -1.18 0.00 0.00 32.58 30.64 3cgl s HIS 215 CO 0.00 -0.13 -0.22 -2.00 -0.65 0.00 0.00 174.74 171.74 3cgl s GLU 216 N 0.33 3.02 -0.14 2.88 2.12 0.76 -1.43 118.70 126.23 3cgl s GLU 216 Ca -0.05 -0.85 -0.02 0.00 0.36 0.00 0.00 54.97 54.41 3cgl s GLU 216 Cb -0.10 -2.44 -0.02 0.00 0.26 0.00 0.00 34.13 31.82 3cgl s GLU 216 CO 0.01 -0.02 -0.08 -1.50 -0.54 0.00 0.00 175.26 173.12 3cgl s ILE 217 N 0.84 3.49 -0.09 -3.70 -1.16 -0.37 -1.03 121.20 119.16 3cgl s ILE 217 Ca -0.06 -0.51 -0.10 0.00 -0.51 0.00 0.00 60.65 59.47 3cgl s ILE 217 Cb -0.15 -2.50 0.03 0.00 0.61 0.00 0.00 42.46 40.44 3cgl s ILE 217 CO -0.02 0.51 0.27 0.00 -2.81 0.00 0.00 174.94 172.89 3cgl s ALA 218 N 0.32 -0.68 -0.03 1.50 0.00 1.00 -0.40 121.76 123.47 3cgl s ALA 218 Ca -0.07 0.72 -0.00 0.00 0.00 0.00 0.00 51.96 52.61 3cgl s ALA 218 Cb -0.15 -0.40 0.03 0.00 0.00 0.00 0.00 23.12 22.60 3cgl s ALA 218 CO 0.04 -0.14 0.03 0.08 0.00 0.00 0.00 175.76 175.77 3cgl s VAL 219 N 0.01 -0.00 0.18 0.00 1.01 0.45 -1.56 120.40 120.48 3cgl s VAL 219 Ca -0.01 0.22 -0.20 0.00 0.00 0.00 0.00 61.98 61.99 3cgl s VAL 219 Cb -0.02 -0.15 -0.08 0.00 0.00 0.00 0.00 36.38 36.13 3cgl s VAL 219 CO 0.01 0.12 0.69 0.00 0.00 0.00 0.00 175.10 175.92 3cgl s ALA 220 N 1.26 3.46 0.23 5.51 0.00 0.88 -0.56 121.76 132.55 3cgl s ALA 220 Ca -0.07 0.14 -0.17 0.00 0.00 0.00 0.00 51.96 51.86 3cgl s ALA 220 Cb -0.13 -2.78 0.02 0.00 0.00 0.00 0.00 23.12 20.23 3cgl s ALA 220 CO -0.03 0.35 0.57 -0.98 0.00 0.00 0.00 175.76 175.67 3cgl s ARG 221 N -1.72 1.54 0.52 0.00 1.70 0.48 -4.34 118.95 117.13 3cgl s ARG 221 Ca 0.39 -1.00 -0.06 0.00 -0.47 0.00 0.00 55.73 54.60 3cgl s ARG 221 Cb -0.18 0.54 -0.02 0.00 -0.57 0.00 0.00 34.95 34.71 3cgl s ARG 221 CO 0.21 -0.67 0.83 -1.01 -1.08 0.00 0.00 175.30 173.59 3cgl s HIS 222 N -3.92 3.48 0.36 5.89 3.76 -1.26 -0.63 115.29 122.97 3cgl s HIS 222 Ca 0.13 0.80 -0.27 0.00 -0.15 0.00 0.00 55.06 55.57 3cgl s HIS 222 Cb -0.02 -2.45 -0.12 0.00 1.11 0.00 0.00 32.58 31.10 3cgl s HIS 222 CO 0.03 -0.46 1.14 1.58 -0.85 0.00 0.00 174.74 176.18 3cgl n HIS 223 N -2.38 1.71 -0.14 1.40 -0.00 -1.26 -4.86 115.22 109.68 3cgl n HIS 223 Ca 0.02 0.59 0.25 0.00 0.46 0.00 0.00 57.72 59.03 3cgl n HIS 223 Cb 0.56 -2.32 0.68 0.00 -0.12 0.00 0.00 29.99 28.79 3cgl n HIS 223 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 3cgl h PRO 224 N 2.07 0.06 -0.63 1.57 0.13 -2.04 -1.17 132.00 131.99 3cgl h PRO 224 Ca -0.44 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 3cgl h PRO 224 Cb 1.31 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.43 3cgl h PRO 224 CO 0.60 0.04 0.00 1.19 -0.23 0.00 0.00 178.00 179.60 3cgl n PHE 225 N -4.33 1.72 -2.02 1.56 0.99 -1.26 -4.98 117.46 109.14 3cgl n PHE 225 Ca 0.16 -0.63 -0.41 0.00 -0.00 0.00 0.00 57.45 56.56 3cgl n PHE 225 Cb 0.82 -0.37 -0.02 0.00 -1.00 0.00 0.00 39.48 38.91 3cgl n PHE 225 CO 0.00 0.00 0.00 -0.47 -0.00 0.00 0.00 176.76 176.29 3cgl s TYR 226 N -2.26 3.05 -0.13 1.38 5.04 -0.44 -5.05 117.35 118.94 3cgl s TYR 226 Ca 0.51 0.97 0.00 0.00 -2.44 0.00 0.00 57.07 56.12 3cgl s TYR 226 Cb 0.36 -3.82 0.02 0.00 0.35 0.00 0.00 41.96 38.87 3cgl s TYR 226 CO 0.20 -2.72 -0.12 -1.21 -1.34 0.00 0.00 175.55 170.35 3cgl s GLU 227 N -0.06 2.07 0.00 4.97 0.41 -1.26 -5.02 118.70 119.80 3cgl s GLU 227 Ca 0.61 -0.47 0.00 0.00 -0.41 0.00 0.00 54.97 54.70 3cgl s GLU 227 Cb -0.42 -1.92 0.00 0.00 -1.78 0.00 0.00 34.13 30.01 3cgl s GLU 227 CO 0.41 -0.22 0.05 -2.30 -0.49 0.00 0.00 175.26 172.70