#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bgu s LYS 2 N 0.00 2.50 0.09 2.12 1.02 -1.26 -4.44 119.74 119.77 2bgu s LYS 2 Ca 0.00 -0.79 0.10 0.00 0.02 0.00 0.00 55.97 55.30 2bgu s LYS 2 Cb 0.00 -2.02 -0.04 0.00 -0.52 0.00 0.00 37.83 35.25 2bgu s LYS 2 CO 0.00 0.25 -0.26 0.42 -0.92 0.00 0.00 175.35 174.84 2bgu s ILE 3 N 0.13 2.17 0.03 2.17 1.01 -0.73 -0.81 121.20 125.18 2bgu s ILE 3 Ca -0.10 -1.60 0.05 0.00 0.00 0.00 0.00 60.65 59.00 2bgu s ILE 3 Cb -0.15 -1.90 -0.02 0.00 0.01 0.00 0.00 42.46 40.40 2bgu s ILE 3 CO 0.05 0.19 -0.14 0.00 0.00 0.00 0.00 174.94 175.04 2bgu s ALA 4 N -0.96 1.14 -0.05 9.38 0.00 -0.79 -1.74 121.76 128.74 2bgu s ALA 4 Ca 0.13 -0.79 0.05 0.00 0.00 0.00 0.00 51.96 51.34 2bgu s ALA 4 Cb -0.10 -0.19 -0.00 0.00 0.00 0.00 0.00 23.12 22.83 2bgu s ALA 4 CO 0.04 0.22 -0.20 0.42 0.00 0.00 0.00 175.76 176.25 2bgu s ILE 5 N -0.80 1.64 0.06 0.00 1.01 -0.15 -0.65 121.20 122.31 2bgu s ILE 5 Ca 0.02 -0.83 0.06 0.00 0.00 0.00 0.00 60.65 59.90 2bgu s ILE 5 Cb -0.08 -1.40 -0.03 0.00 0.01 0.00 0.00 42.46 40.96 2bgu s ILE 5 CO 0.01 0.47 -0.16 -0.63 0.00 0.00 0.00 174.94 174.62 2bgu s ILE 6 N 0.03 1.31 -0.30 2.92 -1.09 -0.49 -0.82 121.20 122.75 2bgu s ILE 6 Ca -0.05 -1.19 -0.07 0.00 -2.23 0.00 0.00 60.65 57.11 2bgu s ILE 6 Cb -0.13 -1.19 0.01 0.00 -1.58 0.00 0.00 42.46 39.57 2bgu s ILE 6 CO 0.03 -0.02 0.10 0.21 -1.23 0.00 0.00 174.94 174.03 2bgu s ASN 7 N -1.40 5.21 0.40 3.58 3.84 -1.26 -1.89 114.94 123.42 2bgu s ASN 7 Ca 0.03 -0.69 0.09 0.00 0.21 0.00 0.00 52.86 52.50 2bgu s ASN 7 Cb -0.09 -1.90 0.82 0.00 -0.55 0.00 0.00 41.25 39.53 2bgu s ASN 7 CO 0.02 -0.20 1.95 -0.03 -2.79 0.00 0.00 177.10 176.06 2bgu h MET 8 N 8.26 0.29 -0.00 0.43 1.85 -1.47 -3.34 114.93 120.94 2bgu h MET 8 Ca -0.31 -0.05 0.00 0.00 -0.61 0.00 0.00 59.70 58.72 2bgu h MET 8 Cb 1.13 -0.05 0.00 0.00 0.43 0.00 0.00 31.60 33.11 2bgu h MET 8 CO 0.61 0.36 -0.27 0.41 -0.40 0.00 0.00 176.91 177.61 2bgu n GLY 9 N -1.03 0.14 3.08 1.39 0.00 -1.26 -3.64 105.19 103.87 2bgu n GLY 9 Ca -0.00 -0.21 -0.11 0.00 0.00 0.00 0.00 46.02 45.70 2bgu n GLY 9 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2bgu s ASN 10 N -1.49 0.77 0.15 1.61 -0.87 -1.25 -4.62 114.94 109.24 2bgu s ASN 10 Ca 0.04 -0.72 -0.30 0.00 -1.57 0.00 0.00 52.86 50.31 2bgu s ASN 10 Cb 0.06 0.08 -0.07 0.00 -0.02 0.00 0.00 41.25 41.30 2bgu s ASN 10 CO 0.26 -0.34 1.04 0.21 -2.57 0.00 0.00 177.10 175.70 2bgu s ASN 11 N -2.12 7.36 -0.16 -1.22 2.47 -1.26 -4.67 114.94 115.35 2bgu s ASN 11 Ca -0.03 1.96 -0.04 0.00 0.42 0.00 0.00 52.86 55.17 2bgu s ASN 11 Cb -0.04 -2.60 -0.03 0.00 -1.45 0.00 0.00 41.25 37.14 2bgu s ASN 11 CO -0.03 -0.16 -0.02 -0.69 -3.72 0.00 0.00 177.10 172.49 2bgu s VAL 12 N -0.10 4.10 0.00 -5.21 1.01 -1.26 -4.58 120.40 114.36 2bgu s VAL 12 Ca 0.49 -0.29 0.00 0.00 0.00 0.00 0.00 61.98 62.18 2bgu s VAL 12 Cb -0.27 -2.80 0.00 0.00 0.00 0.00 0.00 36.38 33.31 2bgu s VAL 12 CO 0.32 0.49 0.00 0.00 0.00 0.00 0.00 175.10 175.92 2bgu n ILE 13 N 3.44 0.00 -3.83 2.22 0.13 -1.26 -4.75 119.36 115.30 2bgu n ILE 13 Ca -0.17 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.48 2bgu n ILE 13 Cb 0.52 -0.01 0.00 0.00 -0.84 0.00 0.00 39.64 39.31 2bgu n ILE 13 CO 0.00 0.00 0.00 -0.46 2.80 0.00 0.00 176.55 178.89 2bgu n ASN 14 N -1.67 0.00 -1.72 9.51 0.23 -1.26 -4.77 115.26 115.58 2bgu n ASN 14 Ca 0.00 -0.99 0.07 0.00 -0.53 0.00 0.00 54.58 53.13 2bgu n ASN 14 Cb 0.00 0.00 0.36 0.00 -2.08 0.00 0.00 39.78 38.06 2bgu n ASN 14 CO 0.00 0.00 0.00 0.49 -0.93 0.00 0.00 177.26 176.82 2bgu n PHE 15 N 0.00 1.80 -0.07 -2.53 3.72 -1.26 -3.78 117.46 115.35 2bgu n PHE 15 Ca 0.00 -0.64 -0.12 0.00 -0.05 0.00 0.00 57.45 56.64 2bgu n PHE 15 Cb 0.00 -0.43 -0.06 0.00 -0.94 0.00 0.00 39.48 38.05 2bgu n PHE 15 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 2bgu h LYS 16 N 3.67 0.38 -6.12 -1.08 3.64 -1.96 -3.45 116.57 111.65 2bgu h LYS 16 Ca 0.00 -0.15 -0.56 0.00 -1.27 0.00 0.00 60.65 58.67 2bgu h LYS 16 Cb 1.76 -0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 33.51 2bgu h LYS 16 CO 0.41 0.65 -0.52 0.95 -2.27 0.00 0.00 179.45 178.67 2bgu s THR 17 N -4.70 4.91 0.20 1.00 -4.23 -1.26 -5.02 115.64 106.53 2bgu s THR 17 Ca -0.14 -0.87 -0.08 0.00 -1.18 0.00 0.00 61.69 59.43 2bgu s THR 17 Cb 0.06 -3.51 0.10 0.00 1.34 0.00 0.00 72.50 70.49 2bgu s THR 17 CO 0.75 -0.09 1.69 0.58 -0.54 0.00 0.00 174.62 177.01 2bgu h VAL 18 N 1.86 1.26 -0.60 2.29 2.07 -1.95 -1.36 116.25 119.82 2bgu h VAL 18 Ca -0.48 -1.06 -0.05 0.00 0.82 0.00 0.00 66.70 65.93 2bgu h VAL 18 Cb 1.20 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 31.63 2bgu h VAL 18 CO 0.66 0.39 0.17 -0.65 0.02 0.00 0.00 177.57 178.17 2bgu h PRO 19 N 0.99 0.95 -0.44 1.57 0.11 -1.96 0.31 132.00 133.53 2bgu h PRO 19 Ca 0.19 -0.21 -0.12 0.00 0.11 0.00 0.00 66.00 65.97 2bgu h PRO 19 Cb 0.47 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.43 2bgu h PRO 19 CO 0.02 0.85 -0.21 1.03 -0.21 0.00 0.00 178.00 179.48 2bgu h SER 20 N 0.87 0.90 0.01 -2.05 0.87 -1.78 -2.79 113.55 109.58 2bgu h SER 20 Ca 0.19 -0.33 -0.00 0.00 -1.23 0.00 0.00 61.79 60.42 2bgu h SER 20 Cb 0.31 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 62.02 2bgu h SER 20 CO -0.00 1.08 -0.00 0.28 -0.53 0.00 0.00 176.83 177.65 2bgu h SER 21 N 0.77 -0.01 0.30 6.23 0.02 -0.92 -2.19 113.55 117.74 2bgu h SER 21 Ca 0.10 -0.22 -0.04 0.00 -0.84 0.00 0.00 61.79 60.79 2bgu h SER 21 Cb 0.76 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.29 2bgu h SER 21 CO 0.06 0.22 -0.19 1.05 -1.14 0.00 0.00 176.83 176.83 2bgu h GLU 22 N -0.24 0.00 -0.30 3.45 4.11 -0.97 -1.41 114.58 119.22 2bgu h GLU 22 Ca -0.00 0.00 -0.15 0.00 0.07 0.00 0.00 59.36 59.28 2bgu h GLU 22 Cb 0.24 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.48 2bgu h GLU 22 CO 0.00 0.19 -0.38 1.15 0.07 0.00 0.00 179.01 180.04 2bgu h THR 23 N 0.00 1.29 -0.05 -1.06 2.02 -1.33 -1.53 112.91 112.25 2bgu h THR 23 Ca -0.00 -1.57 -0.11 0.00 0.77 0.00 0.00 66.41 65.51 2bgu h THR 23 Cb 0.39 1.59 -0.01 0.00 -1.74 0.00 0.00 68.15 68.38 2bgu h THR 23 CO 0.02 0.51 -0.46 0.40 0.37 0.00 0.00 175.52 176.37 2bgu h ILE 24 N 0.55 1.33 -0.27 3.11 2.04 -1.00 -1.66 117.51 121.61 2bgu h ILE 24 Ca 0.04 -1.60 -0.18 0.00 1.00 0.00 0.00 64.86 64.12 2bgu h ILE 24 Cb 0.97 1.80 -0.00 0.00 -0.74 0.00 0.00 36.82 38.86 2bgu h ILE 24 CO 0.09 0.47 -0.54 1.88 0.00 0.00 0.00 178.15 180.05 2bgu h TYR 25 N 0.09 0.99 0.07 1.37 0.05 -1.12 -0.33 116.97 118.09 2bgu h TYR 25 Ca 0.00 -0.35 -0.00 0.00 0.05 0.00 0.00 58.73 58.43 2bgu h TYR 25 Cb 0.85 -0.19 0.00 0.00 1.01 0.00 0.00 36.73 38.40 2bgu h TYR 25 CO 0.01 1.15 -0.03 -0.07 -1.05 0.00 0.00 178.16 178.17 2bgu h LEU 26 N 0.61 -0.08 -0.75 3.88 3.38 -1.11 -1.40 115.31 119.85 2bgu h LEU 26 Ca 0.02 -0.12 0.14 0.00 0.09 0.00 0.00 57.88 58.00 2bgu h LEU 26 Cb 1.13 0.02 -0.09 0.00 0.09 0.00 0.00 40.66 41.81 2bgu h LEU 26 CO 0.12 0.07 0.31 0.15 0.09 0.00 0.00 178.44 179.18 2bgu h PHE 27 N -0.22 0.53 -0.11 1.13 3.57 -1.25 0.85 116.94 121.43 2bgu h PHE 27 Ca -0.01 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.52 2bgu h PHE 27 Cb 0.19 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.80 2bgu h PHE 27 CO -0.03 0.08 0.05 -0.22 -2.23 0.00 0.00 178.31 175.96 2bgu h LYS 28 N 0.46 0.17 -0.44 1.11 3.64 -0.81 0.39 116.57 121.10 2bgu h LYS 28 Ca 0.41 -0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.66 2bgu h LYS 28 Cb 0.59 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.37 2bgu h LYS 28 CO -0.39 0.27 -0.12 0.28 -2.27 0.00 0.00 179.45 177.22 2bgu h VAL 29 N 0.03 1.26 -0.41 2.00 2.07 -0.59 -0.72 116.25 119.89 2bgu h VAL 29 Ca 0.04 -1.20 -0.09 0.00 0.82 0.00 0.00 66.70 66.27 2bgu h VAL 29 Cb 0.16 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 2bgu h VAL 29 CO -0.00 0.41 -0.11 0.40 0.02 0.00 0.00 177.57 178.29 2bgu h ILE 30 N 0.72 1.27 -0.36 4.57 2.04 -0.71 -2.82 117.51 122.22 2bgu h ILE 30 Ca 0.12 -1.21 0.01 0.00 1.00 0.00 0.00 64.86 64.78 2bgu h ILE 30 Cb 0.61 1.20 -0.02 0.00 -0.74 0.00 0.00 36.82 37.88 2bgu h ILE 30 CO 0.04 0.41 0.23 0.28 0.00 0.00 0.00 178.15 179.11 2bgu h SER 31 N 0.62 0.38 0.16 1.72 0.02 -0.64 -1.40 113.55 114.41 2bgu h SER 31 Ca 0.10 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 2bgu h SER 31 Cb 0.64 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.09 2bgu h SER 31 CO 0.04 0.28 0.00 -0.62 -1.14 0.00 0.00 176.83 175.39 2bgu n GLU 32 N -4.86 0.01 0.03 3.45 1.02 -0.30 -0.26 120.64 119.73 2bgu n GLU 32 Ca -0.00 0.44 0.13 0.00 -0.02 0.00 0.00 57.16 57.70 2bgu n GLU 32 Cb 0.04 -1.53 0.53 0.00 -0.02 0.00 0.00 31.44 30.45 2bgu n GLU 32 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 2bgu n MET 33 N -1.56 0.07 -1.10 3.49 2.81 -0.53 -4.88 117.12 115.42 2bgu n MET 33 Ca 0.01 0.10 0.00 0.00 -1.81 0.00 0.00 57.70 56.00 2bgu n MET 33 Cb 0.05 -1.59 0.00 0.00 -0.71 0.00 0.00 33.22 30.98 2bgu n MET 33 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2bgu n GLY 34 N 1.19 1.03 3.35 3.03 0.00 0.64 -5.08 105.19 109.34 2bgu n GLY 34 Ca 0.06 -0.33 -0.32 0.00 0.00 0.00 0.00 46.02 45.44 2bgu n GLY 34 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2bgu s LEU 35 N -0.38 2.25 -0.52 0.99 1.43 -1.17 -5.08 118.68 116.20 2bgu s LEU 35 Ca 0.00 -0.40 -0.28 0.00 -1.03 0.00 0.00 54.13 52.42 2bgu s LEU 35 Cb 0.00 -1.40 0.02 0.00 0.03 0.00 0.00 46.19 44.84 2bgu s LEU 35 CO 0.00 0.32 1.30 0.21 0.23 0.00 0.00 176.35 178.41 2bgu s ASN 36 N -0.59 6.35 0.06 2.29 3.84 -1.26 -4.46 114.94 121.17 2bgu s ASN 36 Ca 0.09 0.38 0.05 0.00 0.21 0.00 0.00 52.86 53.59 2bgu s ASN 36 Cb -0.11 -2.55 -0.03 0.00 -0.55 0.00 0.00 41.25 38.02 2bgu s ASN 36 CO -0.00 -1.51 -0.15 -0.69 -2.79 0.00 0.00 177.10 171.97 2bgu s VAL 37 N 5.34 1.14 0.05 -5.21 1.01 -1.26 -1.77 120.40 119.70 2bgu s VAL 37 Ca 0.51 -1.24 0.03 0.00 0.00 0.00 0.00 61.98 61.28 2bgu s VAL 37 Cb -0.10 -1.08 -0.02 0.00 0.00 0.00 0.00 36.38 35.18 2bgu s VAL 37 CO 0.28 -0.16 -0.10 -1.81 0.00 0.00 0.00 175.10 173.32 2bgu s ASP 38 N -1.59 1.13 -0.14 3.32 1.01 -0.71 -4.99 116.67 114.70 2bgu s ASP 38 Ca -0.01 -0.54 -0.04 0.00 0.71 0.00 0.00 52.55 52.68 2bgu s ASP 38 Cb -0.09 -0.00 -0.03 0.00 1.01 0.00 0.00 42.92 43.80 2bgu s ASP 38 CO 0.02 -0.14 -0.00 -0.63 0.21 0.00 0.00 175.17 174.63 2bgu s ILE 39 N -1.25 4.21 -0.17 0.77 1.01 -1.26 -0.98 121.20 123.54 2bgu s ILE 39 Ca -0.06 -0.26 -0.03 0.00 0.00 0.00 0.00 60.65 60.30 2bgu s ILE 39 Cb -0.09 -2.83 -0.02 0.00 0.01 0.00 0.00 42.46 39.52 2bgu s ILE 39 CO 0.01 0.52 -0.06 -0.63 0.00 0.00 0.00 174.94 174.78 2bgu s ILE 40 N -0.02 3.58 0.00 2.92 -1.09 -0.00 -1.81 121.20 124.78 2bgu s ILE 40 Ca 0.03 -0.46 0.00 0.00 -2.23 0.00 0.00 60.65 57.99 2bgu s ILE 40 Cb -0.13 -2.58 0.00 0.00 -1.58 0.00 0.00 42.46 38.18 2bgu s ILE 40 CO 0.02 0.48 0.00 -0.24 -1.23 0.00 0.00 174.94 173.97 2bgu n SER 41 N 3.90 0.00 -0.25 3.58 2.88 0.03 -4.40 113.62 119.37 2bgu n SER 41 Ca -0.18 -0.55 -0.06 0.00 -1.33 0.00 0.00 58.87 56.76 2bgu n SER 41 Cb 0.52 0.00 0.05 0.00 -0.75 0.00 0.00 64.21 64.03 2bgu n SER 41 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 2bgu h LEU 42 N 0.00 0.83 -8.87 2.46 4.07 -1.85 -2.35 115.31 109.59 2bgu h LEU 42 Ca 0.00 -0.06 -0.49 0.00 0.08 0.00 0.00 57.88 57.41 2bgu h LEU 42 Cb 0.00 -0.21 -0.16 0.00 1.08 0.00 0.00 40.66 41.37 2bgu h LEU 42 CO 0.00 0.65 -0.75 -0.54 -1.08 0.00 0.00 178.44 176.72 2bgu s LYS 43 N -5.97 1.32 0.19 1.13 1.02 -1.26 -4.53 119.74 111.63 2bgu s LYS 43 Ca -0.13 -1.52 -0.29 0.00 0.02 0.00 0.00 55.97 54.05 2bgu s LYS 43 Cb 0.14 -1.23 -0.08 0.00 -0.52 0.00 0.00 37.83 36.14 2bgu s LYS 43 CO 0.78 0.23 0.91 -0.80 -0.92 0.00 0.00 175.35 175.55 2bgu s ASN 44 N -3.04 7.56 0.00 2.83 -0.87 -1.26 -3.98 114.94 116.18 2bgu s ASN 44 Ca 0.20 1.84 0.00 0.00 -1.57 0.00 0.00 52.86 53.33 2bgu s ASN 44 Cb -0.03 -2.58 0.00 0.00 -0.02 0.00 0.00 41.25 38.62 2bgu s ASN 44 CO 0.07 0.10 0.00 0.61 -2.57 0.00 0.00 177.10 175.31 2bgu n GLY 45 N 1.74 2.94 0.11 0.66 0.00 0.23 -4.95 105.19 105.93 2bgu n GLY 45 Ca -0.01 -0.76 0.13 0.00 0.00 0.00 0.00 46.02 45.38 2bgu n GLY 45 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2bgu n VAL 46 N 0.00 0.63 -0.01 1.61 3.14 -1.26 -3.79 118.33 118.65 2bgu n VAL 46 Ca 0.00 -0.28 0.00 0.00 -2.96 0.00 0.00 64.34 61.11 2bgu n VAL 46 Cb 0.00 -0.61 -0.03 0.00 -1.06 0.00 0.00 33.84 32.14 2bgu n VAL 46 CO 0.00 0.00 0.00 -1.22 -6.46 0.00 0.00 176.83 169.15 2bgu n TYR 47 N -2.29 0.00 -4.44 1.45 4.01 -1.26 -5.09 117.16 109.53 2bgu n TYR 47 Ca 0.05 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.57 2bgu n TYR 47 Cb 0.43 -0.13 -0.10 0.00 -0.31 0.00 0.00 39.34 39.22 2bgu n TYR 47 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 2bgu s THR 48 N -2.18 2.11 0.09 -0.72 -4.23 -1.25 -4.32 115.64 105.14 2bgu s THR 48 Ca -0.02 -2.28 0.10 0.00 -1.18 0.00 0.00 61.69 58.32 2bgu s THR 48 Cb 0.02 -2.31 -0.03 0.00 1.34 0.00 0.00 72.50 71.51 2bgu s THR 48 CO 0.15 -0.40 -0.27 -0.54 -0.54 0.00 0.00 174.62 173.02 2bgu s LYS 49 N -3.60 1.58 0.45 3.99 1.02 -0.75 -0.60 119.74 121.84 2bgu s LYS 49 Ca 0.28 -1.23 -0.13 0.00 0.02 0.00 0.00 55.97 54.92 2bgu s LYS 49 Cb -0.01 -1.92 -0.07 0.00 -0.52 0.00 0.00 37.83 35.31 2bgu s LYS 49 CO 0.13 0.48 0.85 -1.54 -0.92 0.00 0.00 175.35 174.34 2bgu s SER 50 N -1.66 6.56 0.33 2.83 1.04 -1.26 -0.79 113.70 120.75 2bgu s SER 50 Ca 0.13 1.29 0.05 0.00 0.48 0.00 0.00 55.95 57.90 2bgu s SER 50 Cb -0.10 -2.39 0.69 0.00 0.10 0.00 0.00 66.02 64.32 2bgu s SER 50 CO 0.04 -0.47 1.88 -0.26 0.98 0.00 0.00 173.24 175.42 2bgu h PHE 51 N 1.13 0.93 0.00 5.02 0.04 -1.65 -1.73 116.94 120.68 2bgu h PHE 51 Ca -0.47 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.33 2bgu h PHE 51 Cb 1.19 -0.30 0.00 0.00 2.20 0.00 0.00 35.95 39.04 2bgu h PHE 51 CO 0.62 0.40 0.00 -0.40 -0.60 0.00 0.00 178.31 178.33 2bgu n ASP 52 N -4.54 0.00 -0.53 2.17 5.75 -1.26 -3.36 116.55 114.78 2bgu n ASP 52 Ca 0.16 0.18 0.11 0.00 -0.01 0.00 0.00 54.79 55.23 2bgu n ASP 52 Cb 0.35 -0.39 0.01 0.00 -1.03 0.00 0.00 41.12 40.06 2bgu n ASP 52 CO 0.00 0.00 0.00 1.21 -0.11 0.00 0.00 177.20 178.30 2bgu n GLU 53 N -1.39 1.28 -4.45 0.11 4.07 -0.65 -4.96 120.64 114.65 2bgu n GLU 53 Ca 0.10 -1.06 -0.23 0.00 -0.06 0.00 0.00 57.16 55.92 2bgu n GLU 53 Cb 0.28 -1.48 -0.10 0.00 -0.06 0.00 0.00 31.44 30.08 2bgu n GLU 53 CO 0.00 0.00 0.00 0.14 -0.06 0.00 0.00 177.13 177.21 2bgu s VAL 54 N -2.45 2.06 -0.30 6.31 -7.23 -1.20 -4.97 120.40 112.62 2bgu s VAL 54 Ca 0.19 -2.25 -0.06 0.00 -1.81 0.00 0.00 61.98 58.05 2bgu s VAL 54 Cb 0.18 -2.36 0.02 0.00 0.56 0.00 0.00 36.38 34.79 2bgu s VAL 54 CO 0.55 -0.37 0.06 -0.62 -0.31 0.00 0.00 175.10 174.41 2bgu s ASP 55 N -3.48 5.06 0.43 4.85 2.15 -1.26 -4.96 116.67 119.47 2bgu s ASP 55 Ca 0.29 -0.92 0.26 0.00 0.43 0.00 0.00 52.55 52.61 2bgu s ASP 55 Cb -0.00 -1.83 1.30 0.00 -0.30 0.00 0.00 42.92 42.08 2bgu s ASP 55 CO 0.13 -0.23 1.70 1.62 -0.17 0.00 0.00 175.17 178.22 2bgu h VAL 56 N 6.05 0.32 -0.23 1.11 3.04 -1.92 0.42 116.25 125.04 2bgu h VAL 56 Ca -0.28 -0.07 0.00 0.00 -1.01 0.00 0.00 66.70 65.34 2bgu h VAL 56 Cb 1.10 0.09 0.00 0.00 -2.01 0.00 0.00 31.29 30.47 2bgu h VAL 56 CO 0.59 0.04 0.00 0.59 -1.01 0.00 0.00 177.57 177.78 2bgu n ASN 57 N -4.61 1.77 0.06 3.17 3.02 -1.26 -3.15 115.26 114.26 2bgu n ASN 57 Ca 0.31 -2.11 0.12 0.00 -0.03 0.00 0.00 54.58 52.87 2bgu n ASN 57 Cb 1.18 -0.31 0.19 0.00 -0.61 0.00 0.00 39.78 40.23 2bgu n ASN 57 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2bgu n ASP 58 N 0.21 0.69 -4.82 6.41 8.00 0.14 -4.87 116.55 122.32 2bgu n ASP 58 Ca 0.09 0.14 -0.37 0.00 0.71 0.00 0.00 54.79 55.35 2bgu n ASP 58 Cb 0.34 0.11 -0.06 0.00 -0.02 0.00 0.00 41.12 41.48 2bgu n ASP 58 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2bgu s TYR 59 N -3.16 3.63 0.07 1.24 2.02 -1.19 -4.78 117.35 115.18 2bgu s TYR 59 Ca 0.07 0.77 0.07 0.00 -0.37 0.00 0.00 57.07 57.61 2bgu s TYR 59 Cb 0.13 -2.21 -0.22 0.00 -0.40 0.00 0.00 41.96 39.26 2bgu s TYR 59 CO 0.71 0.57 1.09 -0.44 -1.57 0.00 0.00 175.55 175.91 2bgu h ASP 60 N 5.27 0.05 -3.52 2.29 3.32 -1.30 -3.45 116.42 119.08 2bgu h ASP 60 Ca -0.50 -0.06 -0.39 0.00 0.02 0.00 0.00 57.03 56.10 2bgu h ASP 60 Cb 1.21 -0.02 -0.33 0.00 0.22 0.00 0.00 39.33 40.41 2bgu h ASP 60 CO 0.64 1.05 -0.77 -0.13 -1.72 0.00 0.00 179.24 178.31 2bgu s ARG 61 N -2.67 0.70 -0.26 3.56 1.81 -1.12 -4.95 118.95 116.02 2bgu s ARG 61 Ca -0.01 -0.09 -0.01 0.00 -1.72 0.00 0.00 55.73 53.90 2bgu s ARG 61 Cb 0.09 -0.73 0.03 0.00 -0.45 0.00 0.00 34.95 33.89 2bgu s ARG 61 CO 0.83 -0.06 -0.06 -1.17 -0.68 0.00 0.00 175.30 174.15 2bgu s LEU 62 N 0.81 3.30 -0.19 2.53 2.96 -1.26 -1.89 118.68 124.94 2bgu s LEU 62 Ca -0.10 -0.97 -0.09 0.00 -0.22 0.00 0.00 54.13 52.75 2bgu s LEU 62 Cb -0.13 -1.66 -0.05 0.00 0.50 0.00 0.00 46.19 44.85 2bgu s LEU 62 CO -0.00 -0.15 0.13 -0.63 -1.32 0.00 0.00 176.35 174.38 2bgu s ILE 63 N 1.30 5.41 -0.10 6.68 1.01 0.18 -1.56 121.20 134.12 2bgu s ILE 63 Ca -0.01 0.19 0.03 0.00 0.00 0.00 0.00 60.65 60.85 2bgu s ILE 63 Cb -0.17 -3.45 0.01 0.00 0.01 0.00 0.00 42.46 38.86 2bgu s ILE 63 CO -0.04 0.47 -0.19 -0.69 0.00 0.00 0.00 174.94 174.49 2bgu s VAL 64 N 0.13 1.76 0.25 2.92 1.01 0.59 -1.40 120.40 125.66 2bgu s VAL 64 Ca 0.09 -0.83 0.10 0.00 0.00 0.00 0.00 61.98 61.34 2bgu s VAL 64 Cb -0.11 -1.56 -0.04 0.00 0.00 0.00 0.00 36.38 34.67 2bgu s VAL 64 CO -0.01 0.49 -0.06 0.68 0.00 0.00 0.00 175.10 176.21 2bgu s VAL 65 N 0.64 3.24 0.01 2.92 -7.23 -0.79 -0.57 120.40 118.61 2bgu s VAL 65 Ca -0.13 -1.92 0.03 0.00 -1.81 0.00 0.00 61.98 58.15 2bgu s VAL 65 Cb -0.16 -2.70 -0.01 0.00 0.56 0.00 0.00 36.38 34.07 2bgu s VAL 65 CO 0.04 -0.31 -0.10 0.21 -0.31 0.00 0.00 175.10 174.63 2bgu s ASN 66 N -3.43 1.16 0.00 4.85 3.04 -1.26 -1.14 114.94 118.16 2bgu s ASN 66 Ca 0.29 -0.26 0.00 0.00 0.04 0.00 0.00 52.86 52.93 2bgu s ASN 66 Cb -0.07 -0.10 0.00 0.00 -1.54 0.00 0.00 41.25 39.54 2bgu s ASN 66 CO 0.18 0.06 0.00 -1.54 -3.04 0.00 0.00 177.10 172.76 2bgu n SER 67 N 2.52 0.00 0.00 -4.21 3.41 -1.26 -4.93 113.62 109.14 2bgu n SER 67 Ca -0.15 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.46 2bgu n SER 67 Cb 0.56 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.51 2bgu n SER 67 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2bgu n ASN 77 N -0.02 0.00 -0.28 4.04 2.85 -1.26 -4.83 115.26 115.76 2bgu n ASN 77 Ca 0.00 0.00 -0.04 0.00 -0.11 0.00 0.00 54.58 54.43 2bgu n ASN 77 Cb 0.00 0.00 0.07 0.00 1.24 0.00 0.00 39.78 41.09 2bgu n ASN 77 CO 0.00 0.00 0.00 0.25 -2.11 0.00 0.00 177.26 175.40 2bgu h LEU 78 N 0.00 0.88 -1.04 1.20 5.85 -1.98 -0.39 115.31 119.82 2bgu h LEU 78 Ca 0.00 -0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.70 2bgu h LEU 78 Cb 0.00 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 40.77 2bgu h LEU 78 CO 0.00 0.63 0.61 0.00 -0.34 0.00 0.00 178.44 179.35 2bgu h ALA 79 N 1.28 1.30 0.06 1.25 0.00 -1.91 0.12 119.26 121.36 2bgu h ALA 79 Ca 0.28 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 2bgu h ALA 79 Cb -0.12 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 17.29 2bgu h ALA 79 CO -0.06 0.64 -0.03 0.82 0.00 0.00 0.00 179.25 180.62 2bgu h ILE 80 N 1.29 1.27 -0.22 0.00 2.04 -1.51 -1.72 117.51 118.66 2bgu h ILE 80 Ca 0.34 -1.24 0.04 0.00 1.00 0.00 0.00 64.86 65.00 2bgu h ILE 80 Cb -0.12 2.07 -0.04 0.00 -0.74 0.00 0.00 36.82 37.99 2bgu h ILE 80 CO -0.07 0.30 -0.03 -0.07 0.00 0.00 0.00 178.15 178.28 2bgu h LEU 81 N -0.65 -0.15 -0.31 1.44 -0.00 -0.97 -1.56 115.31 113.12 2bgu h LEU 81 Ca -0.01 0.06 0.03 0.00 -0.00 0.00 0.00 57.88 57.96 2bgu h LEU 81 Cb 0.56 0.11 -0.03 0.00 -0.00 0.00 0.00 40.66 41.30 2bgu h LEU 81 CO 0.01 -0.04 0.12 0.28 -0.00 0.00 0.00 178.44 178.81 2bgu h SER 82 N 0.03 0.15 -0.72 -0.43 0.02 -0.80 -1.21 113.55 110.60 2bgu h SER 82 Ca 0.10 0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 61.08 2bgu h SER 82 Cb 0.15 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.66 2bgu h SER 82 CO -0.20 0.12 0.44 0.00 -1.14 0.00 0.00 176.83 176.05 2bgu h ALA 83 N 1.18 0.91 -0.16 3.77 0.00 -1.05 -0.83 119.26 123.09 2bgu h ALA 83 Ca 0.13 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2bgu h ALA 83 Cb 0.09 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 2bgu h ALA 83 CO -0.12 0.38 0.07 1.96 0.00 0.00 0.00 179.25 181.53 2bgu h GLN 84 N 0.98 0.23 -0.59 0.00 1.08 -0.95 0.12 115.11 115.97 2bgu h GLN 84 Ca 0.26 -0.04 0.05 0.00 -1.45 0.00 0.00 58.65 57.47 2bgu h GLN 84 Cb -0.04 -0.04 -0.05 0.00 -0.05 0.00 0.00 27.48 27.30 2bgu h GLN 84 CO -0.05 0.31 0.32 -0.22 -0.95 0.00 0.00 178.83 178.24 2bgu h LYS 85 N 0.11 0.59 -0.22 1.46 3.64 -1.04 0.91 116.57 122.02 2bgu h LYS 85 Ca 0.05 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.37 2bgu h LYS 85 Cb 0.16 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 2bgu h LYS 85 CO -0.00 0.39 0.01 0.35 -2.27 0.00 0.00 179.45 177.93 2bgu h PHE 86 N 0.61 0.41 -0.72 1.91 3.57 -0.83 -2.92 116.94 118.97 2bgu h PHE 86 Ca 0.26 -0.07 -0.06 0.00 3.53 0.00 0.00 57.97 61.64 2bgu h PHE 86 Cb 0.15 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 38.75 2bgu h PHE 86 CO -0.09 0.54 0.21 0.52 -2.23 0.00 0.00 178.31 177.27 2bgu h MET 87 N 0.16 1.12 -0.23 1.11 2.86 -0.52 -2.64 114.93 116.79 2bgu h MET 87 Ca 0.06 -0.24 0.07 0.00 -2.06 0.00 0.00 59.70 57.53 2bgu h MET 87 Cb 0.37 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 31.86 2bgu h MET 87 CO 0.01 0.96 0.24 0.00 1.06 0.00 0.00 176.91 179.18 2bgu h ALA 88 N 1.15 1.90 0.00 6.32 0.00 -0.62 0.58 119.26 128.59 2bgu h ALA 88 Ca 0.23 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.13 2bgu h ALA 88 Cb 0.32 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2bgu h ALA 88 CO -0.01 -0.35 -0.88 1.63 0.00 0.00 0.00 179.25 179.64 2bgu n LYS 89 N -3.87 0.22 -2.24 0.00 5.02 -1.01 -4.76 118.16 111.53 2bgu n LYS 89 Ca 0.03 0.01 -0.42 0.00 -2.02 0.00 0.00 58.31 55.91 2bgu n LYS 89 Cb 0.37 -1.59 -0.03 0.00 -0.02 0.00 0.00 35.03 33.77 2bgu n LYS 89 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 2bgu s TYR 90 N -3.15 3.30 -2.33 2.13 5.04 0.19 -4.83 117.35 117.70 2bgu s TYR 90 Ca 0.06 1.10 0.21 0.00 -2.44 0.00 0.00 57.07 55.99 2bgu s TYR 90 Cb 0.15 -3.60 0.56 0.00 0.35 0.00 0.00 41.96 39.42 2bgu s TYR 90 CO 0.78 -2.00 1.45 1.63 -1.34 0.00 0.00 175.55 176.07 2bgu n LYS 91 N 3.62 2.14 -3.00 4.97 4.76 -1.26 -4.74 118.16 124.65 2bgu n LYS 91 Ca 0.10 -1.72 -0.12 0.00 -2.87 0.00 0.00 58.31 53.70 2bgu n LYS 91 Cb 0.43 -1.45 -0.03 0.00 -1.84 0.00 0.00 35.03 32.15 2bgu n LYS 91 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 2bgu n SER 92 N 0.93 2.21 -4.77 4.39 7.64 -1.26 -5.03 113.62 117.73 2bgu n SER 92 Ca 0.18 -1.85 -0.41 0.00 1.01 0.00 0.00 58.87 57.80 2bgu n SER 92 Cb 0.46 0.19 -0.02 0.00 -1.01 0.00 0.00 64.21 63.84 2bgu n SER 92 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 2bgu s LYS 93 N -2.68 4.31 -0.20 1.43 2.20 -1.26 -4.53 119.74 119.02 2bgu s LYS 93 Ca 0.02 2.27 -0.07 0.00 -0.36 0.00 0.00 55.97 57.83 2bgu s LYS 93 Cb 0.00 -3.07 -0.04 0.00 -1.51 0.00 0.00 37.83 33.22 2bgu s LYS 93 CO 0.01 -0.26 0.06 0.42 -0.36 0.00 0.00 175.35 175.22 2bgu s ILE 94 N -0.96 4.56 -0.39 5.43 1.01 -0.77 -4.30 121.20 125.78 2bgu s ILE 94 Ca 0.51 -0.11 -0.15 0.00 0.00 0.00 0.00 60.65 60.90 2bgu s ILE 94 Cb -0.41 -3.07 0.01 0.00 0.01 0.00 0.00 42.46 39.00 2bgu s ILE 94 CO 0.53 0.42 0.34 -0.31 0.00 0.00 0.00 174.94 175.91 2bgu s TYR 95 N 0.78 3.21 -0.22 3.97 1.51 -0.60 -0.77 117.35 125.23 2bgu s TYR 95 Ca 0.03 -0.38 -0.10 0.00 -1.01 0.00 0.00 57.07 55.62 2bgu s TYR 95 Cb -0.14 -2.66 -0.05 0.00 -0.11 0.00 0.00 41.96 39.00 2bgu s TYR 95 CO 0.02 -0.55 0.13 -0.47 -1.11 0.00 0.00 175.55 173.57 2bgu s TYR 96 N 1.86 3.31 -0.53 2.71 5.04 0.51 -0.30 117.35 129.95 2bgu s TYR 96 Ca 0.08 0.19 -0.23 0.00 -2.44 0.00 0.00 57.07 54.67 2bgu s TYR 96 Cb -0.18 -2.21 0.04 0.00 0.35 0.00 0.00 41.96 39.96 2bgu s TYR 96 CO 0.11 0.11 0.86 -0.51 -1.34 0.00 0.00 175.55 174.78 2bgu s LEU 97 N 0.83 4.30 -0.72 6.97 1.02 0.26 -0.98 118.68 130.36 2bgu s LEU 97 Ca 0.07 -0.46 -0.21 0.00 0.02 0.00 0.00 54.13 53.55 2bgu s LEU 97 Cb -0.13 -2.76 0.09 0.00 0.02 0.00 0.00 46.19 43.42 2bgu s LEU 97 CO 0.02 -1.13 0.95 0.12 0.02 0.00 0.00 176.35 176.34 2bgu s PHE 98 N 3.61 2.86 -0.20 0.29 5.36 -0.40 -4.44 117.98 125.06 2bgu s PHE 98 Ca 0.27 -0.86 0.12 0.00 -0.96 0.00 0.00 56.93 55.50 2bgu s PHE 98 Cb -0.14 -4.23 -0.17 0.00 -0.34 0.00 0.00 43.02 38.14 2bgu s PHE 98 CO 0.18 -1.53 0.35 0.25 -1.46 0.00 0.00 175.22 173.01 2bgu n THR 99 N 5.72 0.00 -3.91 0.12 -2.24 -1.26 -1.97 114.28 110.74 2bgu n THR 99 Ca 0.02 -0.26 -0.18 0.00 -2.27 0.00 0.00 64.05 61.37 2bgu n THR 99 Cb 0.46 0.48 -0.16 0.00 -2.10 0.00 0.00 70.33 69.01 2bgu n THR 99 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2bgu s ASP 100 N -2.98 0.57 0.57 3.42 -1.08 -1.26 -4.98 116.67 110.93 2bgu s ASP 100 Ca -0.01 -0.03 0.26 0.00 -0.52 0.00 0.00 52.55 52.25 2bgu s ASP 100 Cb 0.08 -0.24 1.57 0.00 -1.46 0.00 0.00 42.92 42.87 2bgu s ASP 100 CO 0.51 -0.11 2.10 -0.29 0.52 0.00 0.00 175.17 177.90 2bgu h ILE 101 N 6.25 0.60 -0.00 4.11 6.09 -1.98 0.12 117.51 132.70 2bgu h ILE 101 Ca -0.39 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.10 2bgu h ILE 101 Cb 1.13 0.86 0.00 0.00 0.47 0.00 0.00 36.82 39.28 2bgu h ILE 101 CO 0.44 0.00 -0.10 0.54 -3.07 0.00 0.00 178.15 175.96 2bgu n ARG 102 N -4.02 0.43 -3.12 2.19 1.74 -1.26 -4.36 116.66 108.27 2bgu n ARG 102 Ca 0.02 -0.11 -0.25 0.00 -0.77 0.00 0.00 57.85 56.73 2bgu n ARG 102 Cb 0.32 -1.50 -0.05 0.00 -1.02 0.00 0.00 32.46 30.21 2bgu n ARG 102 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2bgu n LEU 103 N -1.19 3.42 -4.85 0.55 4.77 0.42 -5.08 117.00 115.03 2bgu n LEU 103 Ca 0.12 -5.45 -0.30 0.00 -0.03 0.00 0.00 56.01 50.35 2bgu n LEU 103 Cb 0.29 -0.30 0.06 0.00 -2.33 0.00 0.00 43.42 41.13 2bgu n LEU 103 CO 0.25 2.25 0.73 -2.16 -1.33 0.00 0.00 177.39 177.14 2bgu s PRO 104 N -2.89 2.67 0.43 3.23 0.04 -1.26 -4.70 135.00 132.53 2bgu s PRO 104 Ca 0.44 0.57 -0.25 0.00 0.04 0.00 0.00 61.00 61.81 2bgu s PRO 104 Cb 0.25 -1.99 -0.08 0.00 0.04 0.00 0.00 34.50 32.72 2bgu s PRO 104 CO -0.10 -1.19 1.24 0.12 0.04 0.00 0.00 177.00 177.12 2bgu s PHE 105 N -3.26 2.83 -0.03 0.56 2.19 -1.26 -5.01 117.98 114.00 2bgu s PHE 105 Ca 0.59 1.47 -0.30 0.00 0.33 0.00 0.00 56.93 59.02 2bgu s PHE 105 Cb -0.12 -3.55 0.08 0.00 -1.31 0.00 0.00 43.02 38.12 2bgu s PHE 105 CO 0.53 -1.85 0.72 -1.54 1.83 0.00 0.00 175.22 174.91 2bgu s SER 106 N -1.01 -0.59 -0.00 6.13 1.04 -1.26 -4.90 113.70 113.11 2bgu s SER 106 Ca 0.60 0.54 -0.10 0.00 0.48 0.00 0.00 55.95 57.47 2bgu s SER 106 Cb -0.34 0.51 -0.05 0.00 0.10 0.00 0.00 66.02 66.23 2bgu s SER 106 CO 0.43 -0.63 0.32 -1.10 0.98 0.00 0.00 173.24 173.25 2bgu s GLN 107 N -1.64 3.71 0.00 4.02 -0.21 -1.26 -5.16 119.66 119.12 2bgu s GLN 107 Ca -0.07 0.14 0.00 0.00 0.02 0.00 0.00 55.36 55.45 2bgu s GLN 107 Cb -0.00 -3.13 0.00 0.00 1.00 0.00 0.00 33.01 30.88 2bgu s GLN 107 CO 0.05 0.67 0.00 0.43 -2.12 0.00 0.00 175.29 174.31 2bgu n SER 108 N 1.46 0.00 -0.08 5.90 7.64 -1.26 -5.16 113.62 122.12 2bgu n SER 108 Ca -0.13 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.63 2bgu n SER 108 Cb 0.53 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.66 2bgu n SER 108 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2bgu n GLU 123 N 0.00 0.38 0.09 1.43 2.13 -1.26 -5.10 120.64 118.31 2bgu n GLU 123 Ca 0.00 0.10 0.11 0.00 0.66 0.00 0.00 57.16 58.03 2bgu n GLU 123 Cb 0.00 -1.25 -0.01 0.00 0.27 0.00 0.00 31.44 30.44 2bgu n GLU 123 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 2bgu n GLU 124 N -3.15 0.61 0.03 5.31 2.13 -1.26 -2.78 120.64 121.53 2bgu n GLU 124 Ca -0.29 0.11 0.13 0.00 0.66 0.00 0.00 57.16 57.77 2bgu n GLU 124 Cb 0.78 -1.81 0.52 0.00 0.27 0.00 0.00 31.44 31.19 2bgu n GLU 124 CO 0.00 0.00 0.00 -0.85 -0.41 0.00 0.00 177.13 175.87 2bgu n GLU 125 N -2.67 0.07 -0.00 5.31 0.28 -1.26 -3.47 120.64 118.90 2bgu n GLU 125 Ca -0.01 0.11 0.02 0.00 -0.16 0.00 0.00 57.16 57.12 2bgu n GLU 125 Cb 0.57 -1.59 -0.03 0.00 1.43 0.00 0.00 31.44 31.82 2bgu n GLU 125 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 2bgu n LEU 126 N -1.71 0.09 -4.61 -1.84 4.77 -1.24 -4.24 117.00 108.22 2bgu n LEU 126 Ca 0.06 -0.25 -0.43 0.00 -0.03 0.00 0.00 56.01 55.36 2bgu n LEU 126 Cb 0.33 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.39 2bgu n LEU 126 CO 0.25 0.02 1.45 -0.22 -1.33 0.00 0.00 177.39 177.57 2bgu s LEU 127 N -2.74 3.64 -0.24 2.23 2.96 -1.12 -4.69 118.68 118.72 2bgu s LEU 127 Ca -0.00 1.37 -0.25 0.00 -0.22 0.00 0.00 54.13 55.03 2bgu s LEU 127 Cb 0.03 -3.53 -0.00 0.00 0.50 0.00 0.00 46.19 43.18 2bgu s LEU 127 CO 0.17 -1.54 0.84 -0.63 -1.32 0.00 0.00 176.35 173.87 2bgu s ILE 128 N 6.19 4.83 -0.85 6.68 1.01 -1.26 -4.73 121.20 133.07 2bgu s ILE 128 Ca 0.76 1.58 0.12 0.00 0.00 0.00 0.00 60.65 63.11 2bgu s ILE 128 Cb -0.23 -4.12 -0.06 0.00 0.01 0.00 0.00 42.46 38.06 2bgu s ILE 128 CO 0.32 -0.08 0.61 0.29 0.00 0.00 0.00 174.94 176.09 2bgu n LYS 129 N 6.02 2.52 -1.74 2.79 5.02 -1.26 -4.92 118.16 126.58 2bgu n LYS 129 Ca 0.06 -0.36 -0.34 0.00 -2.02 0.00 0.00 58.31 55.65 2bgu n LYS 129 Cb 0.47 -1.10 0.05 0.00 -0.02 0.00 0.00 35.03 34.43 2bgu n LYS 129 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2bgu s SER 130 N -1.81 4.96 0.71 4.39 0.01 -1.26 -4.87 113.70 115.82 2bgu s SER 130 Ca 0.07 2.11 -0.13 0.00 1.31 0.00 0.00 55.95 59.31 2bgu s SER 130 Cb 0.09 -2.56 0.02 0.00 0.21 0.00 0.00 66.02 63.78 2bgu s SER 130 CO 0.39 -1.74 1.11 -2.16 0.41 0.00 0.00 173.24 171.25 2bgu s PRO 131 N -3.95 2.53 -0.07 12.44 0.04 -1.26 -4.63 135.00 140.10 2bgu s PRO 131 Ca 0.69 1.35 0.02 0.00 0.04 0.00 0.00 61.00 63.11 2bgu s PRO 131 Cb -0.23 -1.92 0.02 0.00 0.04 0.00 0.00 34.50 32.41 2bgu s PRO 131 CO 0.41 -1.46 -0.10 0.42 0.04 0.00 0.00 177.00 176.31 2bgu s ILE 132 N -2.50 0.98 -0.31 0.56 1.01 0.01 -1.84 121.20 119.12 2bgu s ILE 132 Ca 0.66 -0.37 -0.09 0.00 0.00 0.00 0.00 60.65 60.85 2bgu s ILE 132 Cb -0.20 -0.93 -0.00 0.00 0.01 0.00 0.00 42.46 41.34 2bgu s ILE 132 CO 0.47 0.33 0.14 -0.75 0.00 0.00 0.00 174.94 175.12 2bgu s LYS 133 N 0.86 3.28 -0.35 2.79 2.20 0.05 -1.34 119.74 127.23 2bgu s LYS 133 Ca -0.11 -0.75 -0.19 0.00 -0.36 0.00 0.00 55.97 54.55 2bgu s LYS 133 Cb -0.15 -3.53 -0.00 0.00 -1.51 0.00 0.00 37.83 32.64 2bgu s LYS 133 CO 0.01 -0.43 0.56 0.08 -0.36 0.00 0.00 175.35 175.22 2bgu s VAL 134 N 1.59 4.97 -0.54 4.02 1.01 0.08 -0.36 120.40 131.16 2bgu s VAL 134 Ca 0.04 0.47 -0.18 0.00 0.00 0.00 0.00 61.98 62.32 2bgu s VAL 134 Cb -0.17 -4.00 0.09 0.00 0.00 0.00 0.00 36.38 32.30 2bgu s VAL 134 CO 0.05 -0.24 0.58 -0.63 0.00 0.00 0.00 175.10 174.87 2bgu s ILE 135 N 2.51 5.00 0.00 2.22 1.01 -0.16 -0.94 121.20 130.84 2bgu s ILE 135 Ca 0.21 -1.01 -0.29 0.00 0.00 0.00 0.00 60.65 59.56 2bgu s ILE 135 Cb -0.15 -4.35 -0.03 0.00 0.01 0.00 0.00 42.46 37.94 2bgu s ILE 135 CO 0.14 -0.89 0.94 -0.55 0.00 0.00 0.00 174.94 174.57 2bgu s SER 136 N 3.22 7.33 0.37 3.58 0.15 0.21 -1.27 113.70 127.28 2bgu s SER 136 Ca 0.09 1.61 0.20 0.00 0.70 0.00 0.00 55.95 58.55 2bgu s SER 136 Cb -0.24 -2.55 0.49 0.00 -1.71 0.00 0.00 66.02 62.00 2bgu s SER 136 CO 0.07 -0.22 1.64 -0.61 1.20 0.00 0.00 173.24 175.32 2bgu h GLN 137 N 6.67 0.00 -6.32 5.44 4.15 -1.52 -0.25 115.11 123.27 2bgu h GLN 137 Ca -0.41 0.00 -0.55 0.00 0.77 0.00 0.00 58.65 58.46 2bgu h GLN 137 Cb 1.22 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 28.87 2bgu h GLN 137 CO 0.75 0.33 0.07 0.20 -1.93 0.00 0.00 178.83 178.25 2bgu s GLY 138 N -4.36 2.77 0.52 2.39 0.00 -1.26 -4.40 107.32 102.98 2bgu s GLY 138 Ca 0.03 0.19 0.30 0.00 0.00 0.00 0.00 44.72 45.23 2bgu s GLY 138 CO 0.69 0.74 1.89 1.19 0.00 0.00 0.00 173.10 177.61 2bgu h ILE 139 N 3.64 0.07 -2.56 0.90 2.10 -1.58 -3.40 117.51 116.67 2bgu h ILE 139 Ca -0.47 -0.69 -0.67 0.00 1.08 0.00 0.00 64.86 64.11 2bgu h ILE 139 Cb 1.21 1.65 -0.17 0.00 -1.09 0.00 0.00 36.82 38.42 2bgu h ILE 139 CO 0.66 0.03 0.64 0.21 -1.08 0.00 0.00 178.15 178.62 2bgu s ASN 140 N -5.86 6.42 0.51 2.19 3.84 -1.26 -4.89 114.94 115.89 2bgu s ASN 140 Ca 0.02 -1.62 0.34 0.00 0.21 0.00 0.00 52.86 51.82 2bgu s ASN 140 Cb 0.08 -2.39 1.67 0.00 -0.55 0.00 0.00 41.25 40.06 2bgu s ASN 140 CO 0.58 -1.20 2.03 -0.07 -2.79 0.00 0.00 177.10 175.65 2bgu h LEU 141 N 10.66 0.00 -0.92 3.21 3.38 -2.00 -2.21 115.31 127.43 2bgu h LEU 141 Ca -0.05 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.81 2bgu h LEU 141 Cb 1.05 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.78 2bgu h LEU 141 CO 1.13 0.00 -0.54 0.44 0.09 0.00 0.00 178.44 179.56 2bgu h ASP 142 N 0.00 0.01 -0.25 -0.43 3.32 -1.97 -0.47 116.42 116.64 2bgu h ASP 142 Ca 0.00 -0.00 -0.18 0.00 0.02 0.00 0.00 57.03 56.87 2bgu h ASP 142 Cb 0.20 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.75 2bgu h ASP 142 CO 0.00 0.54 -0.54 0.40 -1.72 0.00 0.00 179.24 177.93 2bgu h ILE 143 N 0.01 1.29 -0.43 0.35 2.04 -1.82 -1.43 117.51 117.52 2bgu h ILE 143 Ca -0.01 -1.74 -0.06 0.00 1.00 0.00 0.00 64.86 64.06 2bgu h ILE 143 Cb 0.95 1.74 -0.02 0.00 -0.74 0.00 0.00 36.82 38.76 2bgu h ILE 143 CO 0.07 0.56 0.02 0.00 0.00 0.00 0.00 178.15 178.80 2bgu h ALA 144 N 0.64 1.23 -0.12 1.87 0.00 -1.46 -2.23 119.26 119.18 2bgu h ALA 144 Ca 0.00 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 2bgu h ALA 144 Cb 1.15 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 2bgu h ALA 144 CO 0.12 0.51 -0.09 0.87 0.00 0.00 0.00 179.25 180.66 2bgu h LYS 145 N 0.65 0.28 -0.81 0.00 1.57 -0.97 -2.83 116.57 114.46 2bgu h LYS 145 Ca 0.13 -0.13 0.03 0.00 -1.87 0.00 0.00 60.65 58.81 2bgu h LYS 145 Cb 0.38 -0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.64 2bgu h LYS 145 CO 0.01 0.65 0.53 0.00 -0.57 0.00 0.00 179.45 180.07 2bgu h ALA 146 N 0.63 1.50 0.00 3.86 0.00 -1.11 -0.31 119.26 123.83 2bgu h ALA 146 Ca 0.02 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 2bgu h ALA 146 Cb 0.58 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2bgu h ALA 146 CO 0.02 0.42 -0.24 0.00 0.00 0.00 0.00 179.25 179.45 2bgu h ALA 147 N 1.53 1.22 -0.46 0.00 0.00 -1.38 -2.99 119.26 117.18 2bgu h ALA 147 Ca 0.32 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2bgu h ALA 147 Cb 0.03 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2bgu h ALA 147 CO -0.09 0.30 0.00 0.72 0.00 0.00 0.00 179.25 180.18 2bgu n HIS 148 N -3.70 0.97 0.00 0.00 -0.00 -0.24 -4.70 115.22 107.56 2bgu n HIS 148 Ca -0.01 -0.63 0.18 0.00 -0.00 0.00 0.00 57.72 57.26 2bgu n HIS 148 Cb 0.36 -0.17 0.66 0.00 -0.00 0.00 0.00 29.99 30.83 2bgu n HIS 148 CO 0.00 0.00 0.00 1.57 -0.00 0.00 0.00 176.34 177.91 2bgu h LYS 149 N 2.85 0.06 -0.02 -0.41 2.10 -1.10 -1.06 116.57 119.00 2bgu h LYS 149 Ca 0.00 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2bgu h LYS 149 Cb 1.17 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 32.48 2bgu h LYS 149 CO 0.13 0.04 0.00 1.63 -2.00 0.00 0.00 179.45 179.26 2bgu n LYS 150 N -4.41 1.11 -2.93 0.07 5.02 -1.26 -4.79 118.16 110.97 2bgu n LYS 150 Ca 0.09 -0.17 -0.41 0.00 -2.02 0.00 0.00 58.31 55.81 2bgu n LYS 150 Cb 0.54 -1.39 -0.04 0.00 -0.02 0.00 0.00 35.03 34.12 2bgu n LYS 150 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2bgu s VAL 151 N -1.98 4.93 -0.14 -0.18 1.01 -0.40 -4.95 120.40 118.68 2bgu s VAL 151 Ca 0.36 1.58 0.17 0.00 0.00 0.00 0.00 61.98 64.08 2bgu s VAL 151 Cb 0.17 -4.11 -0.06 0.00 0.00 0.00 0.00 36.38 32.38 2bgu s VAL 151 CO 0.28 0.09 1.05 0.44 0.00 0.00 0.00 175.10 176.96 2bgu h ASP 152 N 7.18 0.00 -4.12 3.32 3.32 -1.88 -3.48 116.42 120.76 2bgu h ASP 152 Ca -0.33 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.19 2bgu h ASP 152 Cb 1.15 0.00 0.20 0.00 0.22 0.00 0.00 39.33 40.90 2bgu h ASP 152 CO 0.81 0.50 0.14 0.59 -1.72 0.00 0.00 179.24 179.56 2bgu n ASN 153 N -2.98 0.22 -4.74 6.45 4.13 -1.26 -4.92 115.26 112.16 2bgu n ASN 153 Ca -0.05 0.46 -0.41 0.00 1.68 0.00 0.00 54.58 56.26 2bgu n ASN 153 Cb 0.78 -1.45 -0.03 0.00 -1.54 0.00 0.00 39.78 37.55 2bgu n ASN 153 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 2bgu s VAL 154 N -2.44 2.82 -0.07 2.41 1.01 -1.26 -4.90 120.40 117.96 2bgu s VAL 154 Ca 0.68 0.68 -0.06 0.00 0.00 0.00 0.00 61.98 63.28 2bgu s VAL 154 Cb -0.25 -3.44 0.03 0.00 0.00 0.00 0.00 36.38 32.72 2bgu s VAL 154 CO 0.57 0.11 0.19 -0.51 0.00 0.00 0.00 175.10 175.45 2bgu s ILE 155 N 0.06 -0.01 0.20 2.22 2.07 -1.26 -0.81 121.20 123.66 2bgu s ILE 155 Ca 0.59 0.05 0.10 0.00 -1.41 0.00 0.00 60.65 59.98 2bgu s ILE 155 Cb -0.40 -0.28 -0.04 0.00 0.13 0.00 0.00 42.46 41.86 2bgu s ILE 155 CO 0.41 0.02 -0.19 -1.83 -1.91 0.00 0.00 174.94 171.45 2bgu s GLU 156 N 0.46 1.40 0.04 3.50 -1.05 -0.45 -4.97 118.70 117.62 2bgu s GLU 156 Ca -0.03 -1.52 0.07 0.00 -0.15 0.00 0.00 54.97 53.34 2bgu s GLU 156 Cb -0.04 -1.47 -0.02 0.00 -0.44 0.00 0.00 34.13 32.15 2bgu s GLU 156 CO -0.02 0.29 -0.21 -0.06 0.95 0.00 0.00 175.26 176.21 2bgu s PHE 157 N -2.21 1.83 -0.15 4.83 0.40 -1.26 -0.75 117.98 120.67 2bgu s PHE 157 Ca 0.20 -0.37 -0.16 0.00 -0.60 0.00 0.00 56.93 56.00 2bgu s PHE 157 Cb -0.05 -1.10 0.04 0.00 0.51 0.00 0.00 43.02 42.42 2bgu s PHE 157 CO 0.09 0.08 0.45 -2.00 0.70 0.00 0.00 175.22 174.53 2bgu s GLU 158 N -1.10 0.57 -0.02 0.44 2.12 -0.12 -4.96 118.70 115.63 2bgu s GLU 158 Ca 0.08 0.54 -0.16 0.00 0.36 0.00 0.00 54.97 55.78 2bgu s GLU 158 Cb -0.09 0.27 -0.06 0.00 0.26 0.00 0.00 34.13 34.52 2bgu s GLU 158 CO 0.01 -0.09 0.45 -0.47 -0.54 0.00 0.00 175.26 174.63 2bgu s TYR 159 N 0.03 3.69 -0.22 5.30 5.04 -1.26 0.64 117.35 130.58 2bgu s TYR 159 Ca -0.02 1.01 -0.13 0.00 -2.44 0.00 0.00 57.07 55.49 2bgu s TYR 159 Cb -0.03 -2.38 0.07 0.00 0.35 0.00 0.00 41.96 39.97 2bgu s TYR 159 CO 0.01 0.53 0.55 0.12 -1.34 0.00 0.00 175.55 175.42 2bgu s PHE 160 N -0.70 -0.80 -1.20 4.97 5.36 -0.10 -4.89 117.98 120.62 2bgu s PHE 160 Ca 0.25 1.68 -0.19 0.00 -0.96 0.00 0.00 56.93 57.71 2bgu s PHE 160 Cb -0.17 0.42 -0.03 0.00 -0.34 0.00 0.00 43.02 42.90 2bgu s PHE 160 CO 0.13 -0.42 1.96 -0.35 -1.46 0.00 0.00 175.22 175.09 2bgu n PRO 161 N 4.09 2.37 -0.25 10.12 -0.04 -1.26 -3.97 135.00 146.07 2bgu n PRO 161 Ca -0.21 -2.59 -0.01 0.00 -0.04 0.00 0.00 63.50 60.66 2bgu n PRO 161 Cb 0.57 -3.35 0.11 0.00 -0.04 0.00 0.00 33.50 30.79 2bgu n PRO 161 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 2bgu h ILE 162 N 5.00 0.97 0.00 0.52 2.04 -1.88 -3.02 117.51 121.14 2bgu h ILE 162 Ca 0.43 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 66.04 2bgu h ILE 162 Cb 0.77 0.16 0.00 0.00 -0.74 0.00 0.00 36.82 37.02 2bgu h ILE 162 CO 1.65 0.13 0.07 -1.84 0.00 0.00 0.00 178.15 178.17 2bgu n GLU 163 N -4.76 0.04 0.00 2.37 0.00 -1.26 -1.84 120.64 115.19 2bgu n GLU 163 Ca 0.10 0.50 0.15 0.00 0.00 0.00 0.00 57.16 57.90 2bgu n GLU 163 Cb 0.19 -1.72 0.86 0.00 0.00 0.00 0.00 31.44 30.77 2bgu n GLU 163 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 2bgu n GLN 164 N -1.71 0.91 -0.07 3.44 6.02 -1.14 -3.87 117.38 120.96 2bgu n GLN 164 Ca -0.00 0.00 0.15 0.00 -0.01 0.00 0.00 57.00 57.13 2bgu n GLN 164 Cb 0.09 -1.50 0.55 0.00 1.02 0.00 0.00 30.24 30.40 2bgu n GLN 164 CO 0.00 0.00 0.00 0.10 -1.01 0.00 0.00 177.06 176.15 2bgu h TYR 165 N 0.00 0.32 -0.39 1.08 -0.00 -1.62 -2.22 116.97 114.15 2bgu h TYR 165 Ca 0.00 0.01 -0.04 0.00 0.00 0.00 0.00 58.73 58.69 2bgu h TYR 165 Cb 0.00 -0.10 -0.02 0.00 0.00 0.00 0.00 36.73 36.61 2bgu h TYR 165 CO 0.00 0.14 0.07 -0.22 -0.00 0.00 0.00 178.16 178.15 2bgu h LYS 166 N 0.29 0.64 0.00 0.10 3.64 -1.86 -2.71 116.57 116.67 2bgu h LYS 166 Ca 0.28 -0.17 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 2bgu h LYS 166 Cb 0.72 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.46 2bgu h LYS 166 CO -0.07 0.69 0.00 -0.84 -2.27 0.00 0.00 179.45 176.96 2bgu h ILE 167 N 0.49 0.00 -0.01 2.00 3.07 -1.70 -3.05 117.51 118.32 2bgu h ILE 167 Ca 0.12 -0.70 0.00 0.00 1.55 0.00 0.00 64.86 65.83 2bgu h ILE 167 Cb 0.35 1.68 0.00 0.00 -0.27 0.00 0.00 36.82 38.58 2bgu h ILE 167 CO 0.01 0.00 -0.38 1.41 -1.05 0.00 0.00 178.15 178.13 2bgu n HIS 168 N -2.95 0.00 -1.90 0.16 8.25 -1.01 -4.85 115.22 112.92 2bgu n HIS 168 Ca 0.03 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.09 2bgu n HIS 168 Cb 0.41 -0.13 0.01 0.00 1.12 0.00 0.00 29.99 31.41 2bgu n HIS 168 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 2bgu s MET 169 N -2.63 3.65 0.37 -0.41 -1.94 -1.04 -4.90 119.30 112.41 2bgu s MET 169 Ca 0.20 2.26 0.08 0.00 -1.71 0.00 0.00 55.69 56.53 2bgu s MET 169 Cb 0.19 -2.58 0.82 0.00 2.01 0.00 0.00 34.83 35.26 2bgu s MET 169 CO 0.59 -0.79 1.93 -0.91 -0.01 0.00 0.00 175.02 175.83 2bgu h ASN 170 N 2.22 0.61 -0.52 3.03 -0.26 -1.91 -2.25 115.58 116.50 2bgu h ASN 170 Ca -0.50 0.02 -0.09 0.00 -0.56 0.00 0.00 56.30 55.17 2bgu h ASN 170 Cb 1.27 -0.11 -0.05 0.00 -1.06 0.00 0.00 38.32 38.36 2bgu h ASN 170 CO 0.61 0.36 0.11 -0.90 -1.06 0.00 0.00 177.43 176.55 2bgu n ASP 171 N -4.50 4.47 -4.73 5.81 5.68 -1.26 -4.96 116.55 117.06 2bgu n ASP 171 Ca 0.13 -2.84 -0.42 0.00 -0.50 0.00 0.00 54.79 51.16 2bgu n ASP 171 Cb 0.34 -0.67 -0.03 0.00 -1.14 0.00 0.00 41.12 39.62 2bgu n ASP 171 CO 0.00 0.00 0.00 0.12 -1.33 0.00 0.00 177.20 175.99 2bgu s PHE 172 N -2.42 3.16 0.01 2.11 5.36 -0.85 -5.01 117.98 120.34 2bgu s PHE 172 Ca 0.43 1.02 0.03 0.00 -0.96 0.00 0.00 56.93 57.45 2bgu s PHE 172 Cb 0.34 -3.72 -0.01 0.00 -0.34 0.00 0.00 43.02 39.28 2bgu s PHE 172 CO 0.12 -2.42 -0.08 -1.14 -1.46 0.00 0.00 175.22 170.23 2bgu s GLN 173 N 0.30 0.61 0.39 10.12 2.00 -1.26 -5.07 119.66 126.75 2bgu s GLN 173 Ca 0.61 -0.39 -0.23 0.00 -2.00 0.00 0.00 55.36 53.35 2bgu s GLN 173 Cb -0.39 -0.56 -0.10 0.00 0.80 0.00 0.00 33.01 32.76 2bgu s GLN 173 CO 0.37 0.15 0.97 -1.17 -0.50 0.00 0.00 175.29 175.10 2bgu s LEU 174 N -0.50 4.10 0.29 3.68 2.96 -1.26 -5.02 118.68 122.92 2bgu s LEU 174 Ca 0.01 1.82 -0.29 0.00 -0.22 0.00 0.00 54.13 55.44 2bgu s LEU 174 Cb -0.04 -4.30 -0.09 0.00 0.50 0.00 0.00 46.19 42.25 2bgu s LEU 174 CO 0.00 -0.31 1.09 -0.44 -1.32 0.00 0.00 176.35 175.37 2bgu s SER 175 N -1.87 7.24 0.53 3.68 0.01 -0.03 -5.04 113.70 118.22 2bgu s SER 175 Ca 0.58 2.25 -0.04 0.00 1.31 0.00 0.00 55.95 60.05 2bgu s SER 175 Cb -0.15 -2.62 -0.00 0.00 0.21 0.00 0.00 66.02 63.45 2bgu s SER 175 CO 0.20 -0.16 0.81 -0.54 0.41 0.00 0.00 173.24 173.96 2bgu s LYS 176 N -1.51 3.06 0.17 12.44 1.02 -1.26 -4.50 119.74 129.16 2bgu s LYS 176 Ca 0.45 -0.13 -0.33 0.00 0.02 0.00 0.00 55.97 55.98 2bgu s LYS 176 Cb -0.31 -2.38 -0.15 0.00 -0.52 0.00 0.00 37.83 34.47 2bgu s LYS 176 CO 0.40 -0.49 1.42 -2.30 -0.92 0.00 0.00 175.35 173.46 2bgu n PRO 177 N -2.37 1.76 -4.28 -1.68 -0.02 -1.26 -4.69 135.00 122.46 2bgu n PRO 177 Ca 0.03 0.63 -0.21 0.00 -2.02 0.00 0.00 63.50 61.93 2bgu n PRO 177 Cb 0.57 -2.30 -0.12 0.00 -0.02 0.00 0.00 33.50 31.63 2bgu n PRO 177 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2bgu s THR 178 N 0.37 1.61 0.11 3.45 2.01 -1.26 -5.11 115.64 116.82 2bgu s THR 178 Ca 0.76 -1.68 -0.31 0.00 0.31 0.00 0.00 61.69 60.78 2bgu s THR 178 Cb -0.75 -1.60 -0.07 0.00 0.01 0.00 0.00 72.50 70.09 2bgu s THR 178 CO 0.45 -0.23 1.27 -0.54 -0.69 0.00 0.00 174.62 174.88 2bgu s LYS 179 N -2.33 4.40 -0.20 4.92 -0.14 -1.26 -4.98 119.74 120.15 2bgu s LYS 179 Ca 0.09 1.91 -0.23 0.00 -1.36 0.00 0.00 55.97 56.38 2bgu s LYS 179 Cb -0.08 -3.28 -0.02 0.00 -1.68 0.00 0.00 37.83 32.77 2bgu s LYS 179 CO 0.05 -0.28 0.73 0.15 -0.76 0.00 0.00 175.35 175.23 2bgu s LYS 180 N 0.76 4.23 0.00 1.68 -0.14 -1.26 -4.75 119.74 120.26 2bgu s LYS 180 Ca 0.59 0.81 0.00 0.00 -1.36 0.00 0.00 55.97 56.01 2bgu s LYS 180 Cb -0.33 -3.59 0.00 0.00 -1.68 0.00 0.00 37.83 32.23 2bgu s LYS 180 CO 0.31 -0.32 0.69 0.25 -0.76 0.00 0.00 175.35 175.52 2bgu n THR 181 N 4.82 0.42 -4.07 2.17 -2.24 -0.79 -5.04 114.28 109.54 2bgu n THR 181 Ca 0.02 -0.67 -0.08 0.00 -2.27 0.00 0.00 64.05 61.06 2bgu n THR 181 Cb 0.49 0.84 -0.10 0.00 -2.10 0.00 0.00 70.33 69.45 2bgu n THR 181 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2bgu s LEU 182 N -0.42 2.45 -0.17 3.22 1.43 -1.08 -5.03 118.68 119.07 2bgu s LEU 182 Ca 0.00 -0.91 -0.14 0.00 -1.03 0.00 0.00 54.13 52.05 2bgu s LEU 182 Cb 0.00 0.17 -0.09 0.00 0.03 0.00 0.00 46.19 46.30 2bgu s LEU 182 CO 0.00 -0.54 -0.05 0.47 0.23 0.00 0.00 176.35 176.46 2bgu n ASP 183 N 0.37 1.84 -4.07 2.29 8.00 -0.39 -2.03 116.55 122.56 2bgu n ASP 183 Ca -0.16 0.54 -0.15 0.00 0.71 0.00 0.00 54.79 55.73 2bgu n ASP 183 Cb 0.60 -0.90 -0.12 0.00 -0.02 0.00 0.00 41.12 40.68 2bgu n ASP 183 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2bgu s VAL 184 N -2.32 0.66 0.03 2.53 1.01 -1.16 -1.27 120.40 119.88 2bgu s VAL 184 Ca -0.21 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 60.83 2bgu s VAL 184 Cb 0.04 -0.67 -0.03 0.00 0.00 0.00 0.00 36.38 35.72 2bgu s VAL 184 CO 0.37 -0.22 -0.04 -0.51 0.00 0.00 0.00 175.10 174.71 2bgu s ILE 185 N -1.07 0.20 -0.14 2.22 2.07 -0.69 -2.41 121.20 121.38 2bgu s ILE 185 Ca -0.05 -1.18 -0.07 0.00 -1.41 0.00 0.00 60.65 57.93 2bgu s ILE 185 Cb -0.08 -0.65 0.05 0.00 0.13 0.00 0.00 42.46 41.91 2bgu s ILE 185 CO 0.01 -0.62 0.32 -0.47 -1.91 0.00 0.00 174.94 172.26 2bgu s TYR 186 N -2.13 -0.46 -0.08 3.50 5.04 -0.79 -2.37 117.35 120.07 2bgu s TYR 186 Ca -0.09 1.02 0.05 0.00 -2.44 0.00 0.00 57.07 55.61 2bgu s TYR 186 Cb -0.05 0.15 -0.01 0.00 0.35 0.00 0.00 41.96 42.40 2bgu s TYR 186 CO -0.03 -0.29 -0.23 0.20 -1.34 0.00 0.00 175.55 173.86 2bgu s GLY 187 N 1.33 1.33 0.00 8.97 0.00 -1.26 -1.38 107.32 116.31 2bgu s GLY 187 Ca -0.09 -1.01 0.00 0.00 0.00 0.00 0.00 44.72 43.62 2bgu s GLY 187 CO -0.11 -0.50 0.00 0.61 0.00 0.00 0.00 173.10 173.10 2bgu n GLY 188 N 3.18 -0.99 3.81 0.20 0.00 -0.20 -4.97 105.19 106.22 2bgu n GLY 188 Ca -0.18 -1.00 -0.29 0.00 0.00 0.00 0.00 46.02 44.55 2bgu n GLY 188 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2bgu s SER 189 N -4.00 4.38 0.48 1.61 1.04 -1.26 -2.20 113.70 113.74 2bgu s SER 189 Ca 0.00 -1.39 0.31 0.00 0.48 0.00 0.00 55.95 55.35 2bgu s SER 189 Cb 0.00 0.29 1.25 0.00 0.10 0.00 0.00 66.02 67.66 2bgu s SER 189 CO 0.00 -0.90 1.91 0.15 0.98 0.00 0.00 173.24 175.39 2bgu h PHE 190 N 1.13 0.00 -6.36 5.02 3.57 -1.95 -3.45 116.94 114.89 2bgu h PHE 190 Ca -0.41 0.00 -0.49 0.00 3.53 0.00 0.00 57.97 60.60 2bgu h PHE 190 Cb 1.30 0.00 -0.10 0.00 2.79 0.00 0.00 35.95 39.94 2bgu h PHE 190 CO 1.14 0.00 -0.76 0.54 -2.23 0.00 0.00 178.31 176.99 2bgu n ARG 191 N -2.89 -4.62 -2.31 1.11 1.74 -1.26 -1.19 116.66 107.23 2bgu n ARG 191 Ca 0.01 0.52 -0.14 0.00 -0.77 0.00 0.00 57.85 57.47 2bgu n ARG 191 Cb 0.30 -5.35 -0.01 0.00 -1.02 0.00 0.00 32.46 26.37 2bgu n ARG 191 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2bgu n SER 192 N -2.73 -4.32 0.00 0.55 2.88 -1.26 -0.28 113.62 108.45 2bgu n SER 192 Ca 0.05 0.17 0.00 0.00 -1.33 0.00 0.00 58.87 57.76 2bgu n SER 192 Cb 0.51 -3.69 0.00 0.00 -0.75 0.00 0.00 64.21 60.29 2bgu n SER 192 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2bgu n GLY 193 N -0.79 0.63 0.29 0.46 0.00 -0.34 -4.91 105.19 100.53 2bgu n GLY 193 Ca -0.17 0.00 0.14 0.00 0.00 0.00 0.00 46.02 45.99 2bgu n GLY 193 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2bgu h GLN 194 N 1.51 0.00 -0.28 1.61 1.08 -0.76 -2.89 115.11 115.37 2bgu h GLN 194 Ca 0.00 0.00 -0.24 0.00 -1.45 0.00 0.00 58.65 56.96 2bgu h GLN 194 Cb 0.00 0.00 -0.34 0.00 -0.05 0.00 0.00 27.48 27.09 2bgu h GLN 194 CO 0.00 0.00 -0.95 2.89 -0.95 0.00 0.00 178.83 179.82 2bgu n ARG 195 N -4.00 1.47 -0.31 1.46 1.85 -1.26 -4.66 116.66 111.21 2bgu n ARG 195 Ca -0.03 -3.10 -0.04 0.00 -1.00 0.00 0.00 57.85 53.68 2bgu n ARG 195 Cb 0.08 -1.20 0.08 0.00 -1.05 0.00 0.00 32.46 30.37 2bgu n ARG 195 CO 0.00 0.00 0.00 1.49 -0.01 0.00 0.00 177.63 179.11 2bgu h GLU 196 N 1.76 1.12 -0.43 2.89 4.81 -1.82 -1.59 114.58 121.33 2bgu h GLU 196 Ca -0.06 -0.07 0.06 0.00 -0.13 0.00 0.00 59.36 59.16 2bgu h GLU 196 Cb 1.48 -0.25 -0.05 0.00 0.63 0.00 0.00 28.75 30.55 2bgu h GLU 196 CO 0.22 0.75 0.11 1.03 -0.73 0.00 0.00 179.01 180.39 2bgu h SER 197 N 1.15 0.06 0.20 1.04 0.87 -1.90 -1.68 113.55 113.29 2bgu h SER 197 Ca 0.31 0.06 -0.16 0.00 -1.23 0.00 0.00 61.79 60.78 2bgu h SER 197 Cb -0.12 0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 61.90 2bgu h SER 197 CO -0.07 0.07 -0.60 0.11 -0.53 0.00 0.00 176.83 175.82 2bgu h LYS 198 N 0.25 0.40 -0.22 2.24 1.79 -1.85 -1.78 116.57 117.40 2bgu h LYS 198 Ca 0.21 -0.27 -0.02 0.00 -2.18 0.00 0.00 60.65 58.38 2bgu h LYS 198 Cb 0.24 0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 30.92 2bgu h LYS 198 CO -0.25 0.88 0.04 0.52 -1.08 0.00 0.00 179.45 179.56 2bgu h MET 199 N 0.30 0.36 -0.48 3.15 2.86 -0.99 -2.06 114.93 118.07 2bgu h MET 199 Ca -0.00 -0.09 -0.05 0.00 -2.06 0.00 0.00 59.70 57.49 2bgu h MET 199 Cb 1.12 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.72 2bgu h MET 199 CO 0.10 0.50 0.10 0.28 1.06 0.00 0.00 176.91 178.95 2bgu h VAL 200 N 0.17 1.24 -0.27 -2.22 2.07 -1.33 0.85 116.25 116.76 2bgu h VAL 200 Ca 0.07 -0.87 -0.00 0.00 0.82 0.00 0.00 66.70 66.72 2bgu h VAL 200 Cb 0.31 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 2bgu h VAL 200 CO 0.00 0.31 0.17 -0.08 0.02 0.00 0.00 177.57 177.99 2bgu h GLU 201 N 0.66 0.36 0.00 1.57 4.57 -1.24 -2.93 114.58 117.57 2bgu h GLU 201 Ca 0.15 -0.03 -0.07 0.00 -1.18 0.00 0.00 59.36 58.23 2bgu h GLU 201 Cb 0.35 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.85 2bgu h GLU 201 CO 0.00 0.27 -1.53 1.19 -1.18 0.00 0.00 179.01 177.76 2bgu n PHE 202 N -4.88 0.59 0.36 0.92 3.72 -0.78 -4.23 117.46 113.16 2bgu n PHE 202 Ca -0.02 0.18 0.05 0.00 -0.05 0.00 0.00 57.45 57.62 2bgu n PHE 202 Cb 0.04 -0.85 -0.07 0.00 -0.94 0.00 0.00 39.48 37.66 2bgu n PHE 202 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 2bgu n LEU 203 N -2.60 0.36 -4.72 4.37 4.77 0.29 -4.92 117.00 114.54 2bgu n LEU 203 Ca -0.06 -0.34 -0.29 0.00 -0.03 0.00 0.00 56.01 55.29 2bgu n LEU 203 Cb 0.68 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.70 2bgu n LEU 203 CO 0.43 0.09 -0.30 -0.36 -1.33 0.00 0.00 177.39 175.92 2bgu s PHE 204 N -2.29 3.03 -1.35 -1.77 0.40 -1.11 -4.12 117.98 110.78 2bgu s PHE 204 Ca 0.02 -0.03 -0.09 0.00 -0.60 0.00 0.00 56.93 56.23 2bgu s PHE 204 Cb 0.08 -1.52 0.06 0.00 0.51 0.00 0.00 43.02 42.16 2bgu s PHE 204 CO 0.47 0.50 0.54 -0.25 0.70 0.00 0.00 175.22 177.18 2bgu n ASP 205 N 0.21 -4.15 0.05 1.36 8.00 -0.56 -4.85 116.55 116.62 2bgu n ASP 205 Ca -0.10 -0.41 0.12 0.00 0.71 0.00 0.00 54.79 55.11 2bgu n ASP 205 Cb 0.53 -3.40 0.07 0.00 -0.02 0.00 0.00 41.12 38.30 2bgu n ASP 205 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 2bgu n THR 206 N -4.08 0.33 -1.00 -3.53 -2.24 -1.26 -4.93 114.28 97.56 2bgu n THR 206 Ca -0.02 -0.32 -0.00 0.00 -2.27 0.00 0.00 64.05 61.43 2bgu n THR 206 Cb 0.55 -0.04 -0.00 0.00 -2.10 0.00 0.00 70.33 68.74 2bgu n THR 206 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2bgu n GLY 207 N 1.32 0.34 3.88 3.38 0.00 -1.26 -4.98 105.19 107.86 2bgu n GLY 207 Ca 0.02 -0.02 -0.21 0.00 0.00 0.00 0.00 46.02 45.82 2bgu n GLY 207 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2bgu s LEU 208 N -0.04 3.56 -0.74 0.99 1.02 -1.26 -5.06 118.68 117.16 2bgu s LEU 208 Ca 0.00 -0.55 -0.19 0.00 0.02 0.00 0.00 54.13 53.41 2bgu s LEU 208 Cb 0.00 -2.23 0.12 0.00 0.02 0.00 0.00 46.19 44.10 2bgu s LEU 208 CO 0.00 -0.47 0.91 0.21 0.02 0.00 0.00 176.35 177.02 2bgu s ASN 209 N -4.07 6.39 0.01 2.29 2.47 -1.26 -5.01 114.94 115.76 2bgu s ASN 209 Ca 0.44 -1.66 0.04 0.00 0.42 0.00 0.00 52.86 52.10 2bgu s ASN 209 Cb -0.05 -2.35 -0.03 0.00 -1.45 0.00 0.00 41.25 37.36 2bgu s ASN 209 CO 0.28 -1.12 -0.10 -0.63 -3.72 0.00 0.00 177.10 171.81 2bgu s ILE 210 N 2.75 3.39 -0.03 -5.21 1.01 -1.26 -1.27 121.20 120.58 2bgu s ILE 210 Ca 0.22 -0.90 0.05 0.00 0.00 0.00 0.00 60.65 60.02 2bgu s ILE 210 Cb -0.15 -2.46 -0.01 0.00 0.01 0.00 0.00 42.46 39.86 2bgu s ILE 210 CO 0.00 0.38 -0.17 -0.70 0.00 0.00 0.00 174.94 174.45 2bgu s GLU 211 N -1.42 1.60 -0.29 2.79 2.12 -1.01 -1.28 118.70 121.20 2bgu s GLU 211 Ca 0.16 -0.61 0.03 0.00 0.36 0.00 0.00 54.97 54.91 2bgu s GLU 211 Cb -0.11 -1.46 0.08 0.00 0.26 0.00 0.00 34.13 32.90 2bgu s GLU 211 CO 0.07 0.31 -0.03 0.12 -0.54 0.00 0.00 175.26 175.19 2bgu s PHE 212 N -0.17 3.33 0.25 5.30 2.19 0.38 -1.88 117.98 127.38 2bgu s PHE 212 Ca 0.01 -2.54 0.05 0.00 0.33 0.00 0.00 56.93 54.79 2bgu s PHE 212 Cb -0.09 -2.31 -0.03 0.00 -1.31 0.00 0.00 43.02 39.28 2bgu s PHE 212 CO 0.01 -0.90 0.37 -0.59 1.83 0.00 0.00 175.22 175.94 2bgu s PHE 213 N 1.07 3.40 -0.08 10.12 -0.71 -0.48 -1.76 117.98 129.54 2bgu s PHE 213 Ca 0.01 -0.05 0.00 0.00 -1.04 0.00 0.00 56.93 55.85 2bgu s PHE 213 Cb -0.19 -1.61 0.00 0.00 -1.21 0.00 0.00 43.02 40.00 2bgu s PHE 213 CO -0.07 0.39 0.00 0.41 -1.34 0.00 0.00 175.22 174.61 2bgu n GLY 214 N -1.43 0.33 0.13 1.99 0.00 -1.08 -1.04 105.19 104.10 2bgu n GLY 214 Ca -0.08 -2.10 0.13 0.00 0.00 0.00 0.00 46.02 43.97 2bgu n GLY 214 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2bgu n ASN 215 N 0.00 0.61 -4.81 1.61 3.02 -0.94 -3.33 115.26 111.43 2bgu n ASN 215 Ca 0.00 -0.53 -0.32 0.00 -0.03 0.00 0.00 54.58 53.69 2bgu n ASN 215 Cb 0.00 0.01 0.02 0.00 -0.61 0.00 0.00 39.78 39.19 2bgu n ASN 215 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2bgu s ALA 216 N -2.61 2.74 0.04 5.41 0.00 -1.24 -4.71 121.76 121.38 2bgu s ALA 216 Ca 0.23 0.33 0.02 0.00 0.00 0.00 0.00 51.96 52.55 2bgu s ALA 216 Cb 0.19 -3.22 -0.02 0.00 0.00 0.00 0.00 23.12 20.07 2bgu s ALA 216 CO 0.53 -0.86 -0.07 1.03 0.00 0.00 0.00 175.76 176.38 2bgu s ARG 217 N -4.24 0.51 0.34 0.00 0.52 -1.26 -4.86 118.95 109.96 2bgu s ARG 217 Ca 0.62 -0.72 0.07 0.00 -0.52 0.00 0.00 55.73 55.18 2bgu s ARG 217 Cb -0.15 -0.27 0.74 0.00 0.52 0.00 0.00 34.95 35.79 2bgu s ARG 217 CO 0.40 0.05 1.89 1.49 0.02 0.00 0.00 175.30 179.14 2bgu h GLU 218 N 4.57 0.75 0.00 3.54 4.81 -1.97 -1.69 114.58 124.59 2bgu h GLU 218 Ca -0.35 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 58.83 2bgu h GLU 218 Cb 1.20 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 30.41 2bgu h GLU 218 CO 0.41 0.50 -0.02 0.87 -0.73 0.00 0.00 179.01 180.04 2bgu h LYS 219 N 0.77 0.00 0.00 1.92 1.57 -2.03 -2.29 116.57 116.51 2bgu h LYS 219 Ca 0.42 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.17 2bgu h LYS 219 Cb 0.54 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.85 2bgu h LYS 219 CO -0.18 0.02 -0.12 1.96 -0.57 0.00 0.00 179.45 180.56 2bgu h GLN 220 N 0.00 0.00 -4.69 3.15 4.20 -1.73 -3.37 115.11 112.68 2bgu h GLN 220 Ca -0.00 0.00 -0.72 0.00 0.06 0.00 0.00 58.65 57.99 2bgu h GLN 220 Cb 0.18 0.00 -0.12 0.00 0.30 0.00 0.00 27.48 27.83 2bgu h GLN 220 CO 0.00 0.12 2.01 1.19 -0.67 0.00 0.00 178.83 181.48 2bgu n PHE 221 N -3.23 4.25 -0.23 2.96 3.01 -0.86 -4.60 117.46 118.76 2bgu n PHE 221 Ca 0.01 -3.04 0.03 0.00 1.01 0.00 0.00 57.45 55.46 2bgu n PHE 221 Cb 0.41 -2.32 0.06 0.00 -0.01 0.00 0.00 39.48 37.62 2bgu n PHE 221 CO 0.00 0.00 0.00 0.36 1.01 0.00 0.00 176.76 178.13 2bgu n LYS 222 N 6.10 2.73 -2.46 -1.08 2.85 -1.26 -5.02 118.16 120.02 2bgu n LYS 222 Ca 0.43 -1.81 -0.43 0.00 -1.05 0.00 0.00 58.31 55.45 2bgu n LYS 222 Cb 0.42 -1.16 -0.02 0.00 -0.65 0.00 0.00 35.03 33.62 2bgu n LYS 222 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 177.40 178.56 2bgu s ASN 223 N -1.31 6.92 0.56 -5.58 3.84 -1.26 -4.91 114.94 113.20 2bgu s ASN 223 Ca 0.11 1.56 0.26 0.00 0.21 0.00 0.00 52.86 55.00 2bgu s ASN 223 Cb 0.08 -2.54 1.52 0.00 -0.55 0.00 0.00 41.25 39.76 2bgu s ASN 223 CO 0.04 -0.81 2.05 -0.65 -2.79 0.00 0.00 177.10 174.94 2bgu h PRO 224 N 8.28 0.00 0.00 0.43 0.11 -2.02 -1.82 132.00 136.98 2bgu h PRO 224 Ca -0.25 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.81 2bgu h PRO 224 Cb 1.10 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 2bgu h PRO 224 CO 0.98 0.00 -0.21 0.87 -0.21 0.00 0.00 178.00 179.43 2bgu h LYS 225 N 0.00 0.00 -3.24 1.05 1.57 -2.03 -3.35 116.57 110.56 2bgu h LYS 225 Ca 0.14 0.00 -0.66 0.00 -1.87 0.00 0.00 60.65 58.26 2bgu h LYS 225 Cb 0.67 0.00 -0.39 0.00 0.08 0.00 0.00 32.23 32.60 2bgu h LYS 225 CO -0.00 0.21 -0.37 0.71 -0.57 0.00 0.00 179.45 179.43 2bgu s TYR 226 N -4.14 3.65 0.50 -1.35 2.02 -0.68 -5.09 117.35 112.27 2bgu s TYR 226 Ca -0.02 -3.16 -0.19 0.00 -0.37 0.00 0.00 57.07 53.33 2bgu s TYR 226 Cb 0.13 -2.97 -0.08 0.00 -0.40 0.00 0.00 41.96 38.65 2bgu s TYR 226 CO 0.64 -0.66 1.04 -1.25 -1.57 0.00 0.00 175.55 173.75 2bgu s PRO 227 N -1.20 3.72 0.16 -1.71 0.04 -1.26 -4.83 135.00 129.92 2bgu s PRO 227 Ca 0.24 1.33 -0.20 0.00 0.04 0.00 0.00 61.00 62.42 2bgu s PRO 227 Cb -0.09 -2.08 0.05 0.00 0.04 0.00 0.00 34.50 32.42 2bgu s PRO 227 CO -0.12 -0.49 0.53 1.67 0.04 0.00 0.00 177.00 178.62 2bgu s TRP 228 N -2.06 -0.34 -0.13 0.56 1.48 -1.26 -5.04 118.94 112.15 2bgu s TRP 228 Ca 0.67 0.06 -0.05 0.00 -1.06 0.00 0.00 56.10 55.72 2bgu s TRP 228 Cb -0.16 0.44 -0.06 0.00 -1.16 0.00 0.00 33.47 32.53 2bgu s TRP 228 CO 0.23 -0.83 -0.15 2.41 -4.06 0.00 0.00 176.95 174.55 2bgu n THR 229 N -0.33 0.69 -4.95 0.66 -1.04 -1.26 -5.02 114.28 103.03 2bgu n THR 229 Ca -0.15 -0.19 -0.29 0.00 -2.04 0.00 0.00 64.05 61.38 2bgu n THR 229 Cb 0.64 -1.52 -0.17 0.00 -1.82 0.00 0.00 70.33 67.46 2bgu n THR 229 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 2bgu s LYS 230 N -2.23 2.36 0.41 -2.82 2.20 -1.26 -5.05 119.74 113.34 2bgu s LYS 230 Ca -0.17 -0.68 0.02 0.00 -0.36 0.00 0.00 55.97 54.78 2bgu s LYS 230 Cb 0.06 -1.87 -0.01 0.00 -1.51 0.00 0.00 37.83 34.50 2bgu s LYS 230 CO 0.23 0.16 0.60 0.00 -0.36 0.00 0.00 175.35 175.98 2bgu s ALA 231 N 0.36 3.91 1.10 3.13 0.00 -1.26 -1.49 121.76 127.50 2bgu s ALA 231 Ca -0.14 -1.19 -0.19 0.00 0.00 0.00 0.00 51.96 50.45 2bgu s ALA 231 Cb -0.16 -1.98 0.26 0.00 0.00 0.00 0.00 23.12 21.24 2bgu s ALA 231 CO 0.06 -0.25 1.27 -1.25 0.00 0.00 0.00 175.76 175.58 2bgu s PRO 232 N -4.42 -0.44 -0.25 0.00 0.04 -1.26 -4.89 135.00 123.78 2bgu s PRO 232 Ca 0.47 -0.42 -0.20 0.00 0.04 0.00 0.00 61.00 60.90 2bgu s PRO 232 Cb -0.10 -1.72 -0.02 0.00 0.04 0.00 0.00 34.50 32.70 2bgu s PRO 232 CO 0.35 -3.14 0.60 0.08 0.04 0.00 0.00 177.00 174.93 2bgu s VAL 233 N -3.60 5.01 -0.23 -0.36 1.01 -0.41 -4.88 120.40 116.94 2bgu s VAL 233 Ca 0.75 1.06 -0.19 0.00 0.00 0.00 0.00 61.98 63.61 2bgu s VAL 233 Cb -0.04 -3.90 -0.03 0.00 0.00 0.00 0.00 36.38 32.41 2bgu s VAL 233 CO 0.55 0.05 0.54 -0.36 0.00 0.00 0.00 175.10 175.88 2bgu s PHE 234 N 2.38 3.31 0.37 5.22 0.08 -1.26 -0.47 117.98 127.61 2bgu s PHE 234 Ca 0.25 0.73 0.09 0.00 0.12 0.00 0.00 56.93 58.11 2bgu s PHE 234 Cb -0.16 -2.72 -0.07 0.00 -0.57 0.00 0.00 43.02 39.51 2bgu s PHE 234 CO 0.09 -0.21 -0.03 0.95 -0.10 0.00 0.00 175.22 175.91 2bgu s THR 235 N 2.06 2.22 1.14 0.64 -4.23 -0.72 -4.97 115.64 111.78 2bgu s THR 235 Ca 0.23 -2.08 -0.17 0.00 -1.18 0.00 0.00 61.69 58.50 2bgu s THR 235 Cb -0.16 -2.80 0.26 0.00 1.34 0.00 0.00 72.50 71.14 2bgu s THR 235 CO 0.09 -0.12 1.10 -0.83 -0.54 0.00 0.00 174.62 174.32 2bgu s GLY 236 N -3.67 1.57 0.47 3.99 0.00 -1.26 -2.62 107.32 105.80 2bgu s GLY 236 Ca 0.34 -0.75 -0.20 0.00 0.00 0.00 0.00 44.72 44.11 2bgu s GLY 236 CO 0.18 0.05 0.99 -1.59 0.00 0.00 0.00 173.10 172.72 2bgu s LYS 237 N -5.24 4.02 0.30 2.90 -2.85 -1.21 -2.90 119.74 114.75 2bgu s LYS 237 Ca 0.69 1.17 0.08 0.00 -1.00 0.00 0.00 55.97 56.91 2bgu s LYS 237 Cb -0.13 -2.14 -0.06 0.00 -2.06 0.00 0.00 37.83 33.44 2bgu s LYS 237 CO 0.57 -0.22 -0.09 0.96 0.10 0.00 0.00 175.35 176.67 2bgu s ILE 238 N -2.20 1.90 0.55 3.79 -4.36 -1.26 -4.92 121.20 114.70 2bgu s ILE 238 Ca 0.63 -2.18 -0.20 0.00 -0.26 0.00 0.00 60.65 58.64 2bgu s ILE 238 Cb -0.12 -2.48 -0.05 0.00 1.25 0.00 0.00 42.46 41.07 2bgu s ILE 238 CO 0.19 -0.29 1.21 -2.84 0.24 0.00 0.00 174.94 173.45 2bgu s PRO 239 N -3.67 3.20 0.30 0.37 0.02 -1.26 -4.90 135.00 129.06 2bgu s PRO 239 Ca 0.30 1.85 0.05 0.00 0.02 0.00 0.00 61.00 63.22 2bgu s PRO 239 Cb 0.02 -2.08 0.78 0.00 0.02 0.00 0.00 34.50 33.24 2bgu s PRO 239 CO 0.13 -1.02 1.70 0.52 -0.33 0.00 0.00 177.00 178.00 2bgu h MET 240 N 1.24 0.41 0.00 5.54 2.86 -1.95 0.25 114.93 123.28 2bgu h MET 240 Ca -0.50 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.11 2bgu h MET 240 Cb 1.28 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.85 2bgu h MET 240 CO 0.57 0.27 0.00 0.27 1.06 0.00 0.00 176.91 179.08 2bgu n ASN 241 N -5.02 0.00 -0.00 1.22 2.04 -1.26 -2.78 115.26 109.45 2bgu n ASN 241 Ca 0.23 -0.29 0.07 0.00 -0.44 0.00 0.00 54.58 54.15 2bgu n ASN 241 Cb 0.69 -0.12 -0.08 0.00 -2.53 0.00 0.00 39.78 37.74 2bgu n ASN 241 CO 0.00 0.00 0.00 0.23 -0.44 0.00 0.00 177.26 177.05 2bgu n MET 242 N -1.12 2.18 -0.14 -3.83 2.81 0.88 -4.74 117.12 113.16 2bgu n MET 242 Ca 0.11 -0.01 -0.04 0.00 -1.81 0.00 0.00 57.70 55.95 2bgu n MET 242 Cb 0.09 -1.18 0.02 0.00 -0.71 0.00 0.00 33.22 31.44 2bgu n MET 242 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 2bgu h VAL 243 N 0.00 0.52 -0.19 2.03 2.07 -1.51 -0.17 116.25 118.99 2bgu h VAL 243 Ca 0.00 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.45 2bgu h VAL 243 Cb 0.36 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 2bgu h VAL 243 CO 0.00 0.00 -0.18 0.28 0.02 0.00 0.00 177.57 177.69 2bgu h SER 244 N -0.02 0.32 -0.40 0.57 0.02 -1.84 0.79 113.55 112.98 2bgu h SER 244 Ca 0.22 -0.08 -0.14 0.00 -0.84 0.00 0.00 61.79 60.95 2bgu h SER 244 Cb 0.35 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.80 2bgu h SER 244 CO -0.47 0.52 -0.29 -0.08 -1.14 0.00 0.00 176.83 175.36 2bgu h GLU 245 N 0.30 0.90 -0.29 3.45 4.81 -1.73 -2.07 114.58 119.95 2bgu h GLU 245 Ca 0.06 -0.43 -0.06 0.00 -0.13 0.00 0.00 59.36 58.79 2bgu h GLU 245 Cb 0.49 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.86 2bgu h GLU 245 CO 0.03 1.09 -0.07 -0.22 -0.73 0.00 0.00 179.01 179.11 2bgu h LYS 246 N 0.72 0.55 -0.78 1.92 1.63 -0.70 -2.99 116.57 116.93 2bgu h LYS 246 Ca 0.08 -0.21 0.07 0.00 -0.85 0.00 0.00 60.65 59.74 2bgu h LYS 246 Cb 0.87 -0.03 -0.05 0.00 -0.60 0.00 0.00 32.23 32.42 2bgu h LYS 246 CO 0.08 0.75 0.51 -0.91 -3.45 0.00 0.00 179.45 176.43 2bgu h ASN 247 N 0.31 0.71 0.05 4.20 2.35 -0.79 -2.48 115.58 119.93 2bgu h ASN 247 Ca 0.07 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.83 2bgu h ASN 247 Cb 0.55 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.77 2bgu h ASN 247 CO 0.03 0.45 0.00 -1.20 -1.65 0.00 0.00 177.43 175.06 2bgu n SER 248 N -4.49 0.24 0.16 5.81 7.64 -0.78 -2.21 113.62 119.99 2bgu n SER 248 Ca 0.12 0.61 0.13 0.00 1.01 0.00 0.00 58.87 60.74 2bgu n SER 248 Cb 0.24 -0.64 0.46 0.00 -1.01 0.00 0.00 64.21 63.26 2bgu n SER 248 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 2bgu h GLN 249 N 0.00 0.00 -6.18 1.43 4.20 -1.56 -3.43 115.11 109.57 2bgu h GLN 249 Ca 0.00 0.00 -0.51 0.00 0.06 0.00 0.00 58.65 58.20 2bgu h GLN 249 Cb 0.02 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 27.75 2bgu h GLN 249 CO 0.00 0.00 -0.52 0.00 -0.67 0.00 0.00 178.83 177.64 2bgu s ALA 250 N -3.30 3.61 0.08 3.87 0.00 -0.94 -1.88 121.76 123.20 2bgu s ALA 250 Ca 0.06 -1.59 -0.19 0.00 0.00 0.00 0.00 51.96 50.25 2bgu s ALA 250 Cb 0.10 -1.11 -0.09 0.00 0.00 0.00 0.00 23.12 22.02 2bgu s ALA 250 CO 0.52 0.14 1.49 0.82 0.00 0.00 0.00 175.76 178.73 2bgu h ILE 251 N 1.47 1.27 -3.87 0.00 1.08 -1.09 -3.38 117.51 112.98 2bgu h ILE 251 Ca -0.46 -0.98 -0.23 0.00 -0.39 0.00 0.00 64.86 62.80 2bgu h ILE 251 Cb 1.25 1.44 -0.16 0.00 -3.07 0.00 0.00 36.82 36.27 2bgu h ILE 251 CO 0.60 0.31 -0.70 0.00 -0.69 0.00 0.00 178.15 177.66 2bgu s ALA 252 N -4.86 0.86 -0.05 1.87 0.00 -0.40 -1.06 121.76 118.13 2bgu s ALA 252 Ca -0.14 -1.20 0.02 0.00 0.00 0.00 0.00 51.96 50.64 2bgu s ALA 252 Cb 0.07 0.14 0.01 0.00 0.00 0.00 0.00 23.12 23.34 2bgu s ALA 252 CO 0.75 -0.19 -0.09 0.00 0.00 0.00 0.00 175.76 176.23 2bgu s ALA 253 N -3.10 0.97 0.08 0.00 0.00 -0.43 -1.70 121.76 117.57 2bgu s ALA 253 Ca 0.06 -0.28 -0.22 0.00 0.00 0.00 0.00 51.96 51.52 2bgu s ALA 253 Cb 0.02 -0.45 -0.07 0.00 0.00 0.00 0.00 23.12 22.62 2bgu s ALA 253 CO -0.04 0.09 0.67 -1.17 0.00 0.00 0.00 175.76 175.31 2bgu s LEU 254 N 0.60 4.51 -0.25 0.00 2.96 -1.00 -1.88 118.68 123.63 2bgu s LEU 254 Ca -0.11 1.39 -0.03 0.00 -0.22 0.00 0.00 54.13 55.17 2bgu s LEU 254 Cb -0.13 -3.08 0.02 0.00 0.50 0.00 0.00 46.19 43.49 2bgu s LEU 254 CO 0.02 0.17 -0.04 -0.63 -1.32 0.00 0.00 176.35 174.54 2bgu s ILE 255 N -0.72 3.07 0.22 6.68 -1.09 -0.24 -4.90 121.20 124.23 2bgu s ILE 255 Ca 0.33 -0.89 -0.00 0.00 -2.23 0.00 0.00 60.65 57.86 2bgu s ILE 255 Cb -0.20 -2.53 -0.04 0.00 -1.58 0.00 0.00 42.46 38.10 2bgu s ILE 255 CO 0.21 0.23 0.11 0.27 -1.23 0.00 0.00 174.94 174.54 2bgu s ILE 256 N 1.37 0.25 0.36 2.92 -4.36 -1.26 -1.92 121.20 118.55 2bgu s ILE 256 Ca 0.02 -2.00 -0.12 0.00 -0.26 0.00 0.00 60.65 58.29 2bgu s ILE 256 Cb -0.16 -2.55 0.03 0.00 1.25 0.00 0.00 42.46 41.03 2bgu s ILE 256 CO -0.04 -0.01 0.67 -0.83 0.24 0.00 0.00 174.94 174.97 2bgu s GLY 257 N -3.23 0.70 0.75 6.27 0.00 -1.26 -5.07 107.32 105.48 2bgu s GLY 257 Ca 0.38 -0.97 -0.11 0.00 0.00 0.00 0.00 44.72 44.03 2bgu s GLY 257 CO 0.13 -0.53 1.08 0.99 0.00 0.00 0.00 173.10 174.76 2bgu s ASP 258 N -3.11 4.83 0.24 1.64 1.11 -1.26 -4.89 116.67 115.24 2bgu s ASP 258 Ca 0.20 1.57 -0.05 0.00 0.18 0.00 0.00 52.55 54.46 2bgu s ASP 258 Cb -0.03 -2.36 0.42 0.00 1.07 0.00 0.00 42.92 42.01 2bgu s ASP 258 CO 0.14 -1.79 1.74 0.50 1.18 0.00 0.00 175.17 176.94 2bgu h LYS 259 N -0.96 0.44 0.00 8.23 3.64 -1.99 -0.80 116.57 125.13 2bgu h LYS 259 Ca -0.45 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 2bgu h LYS 259 Cb 1.23 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.95 2bgu h LYS 259 CO 0.56 0.29 0.00 0.09 -2.27 0.00 0.00 179.45 178.12 2bgu n ASN 260 N -4.99 0.00 0.03 4.20 5.03 -1.26 -2.60 115.26 115.67 2bgu n ASN 260 Ca 0.13 -0.85 0.02 0.00 0.87 0.00 0.00 54.58 54.75 2bgu n ASN 260 Cb 0.38 0.00 -0.08 0.00 -1.02 0.00 0.00 39.78 39.06 2bgu n ASN 260 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 2bgu n TYR 261 N -1.00 0.87 -1.67 3.10 4.02 -0.31 -4.59 117.16 117.57 2bgu n TYR 261 Ca 0.20 0.28 -0.48 0.00 -0.01 0.00 0.00 57.90 57.90 2bgu n TYR 261 Cb 0.09 -1.03 -0.05 0.00 -0.02 0.00 0.00 39.34 38.34 2bgu n TYR 261 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 2bgu n ASN 262 N -2.81 3.04 -3.47 7.72 3.02 -1.07 -1.01 115.26 120.68 2bgu n ASN 262 Ca -0.09 1.05 -0.25 0.00 -0.03 0.00 0.00 54.58 55.25 2bgu n ASN 262 Cb 0.80 -1.38 0.01 0.00 -0.61 0.00 0.00 39.78 38.61 2bgu n ASN 262 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2bgu n ASP 263 N 4.41 -4.32 0.02 6.41 8.00 0.40 -4.73 116.55 126.74 2bgu n ASP 263 Ca 0.19 -0.49 0.00 0.00 0.71 0.00 0.00 54.79 55.20 2bgu n ASP 263 Cb 0.27 -3.52 0.00 0.00 -0.02 0.00 0.00 41.12 37.85 2bgu n ASP 263 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2bgu n ASN 264 N -2.46 -0.14 -4.84 -2.24 5.15 -0.18 -4.77 115.26 105.78 2bgu n ASN 264 Ca -0.01 0.08 -0.37 0.00 -0.60 0.00 0.00 54.58 53.68 2bgu n ASN 264 Cb 0.55 0.25 -0.06 0.00 -0.53 0.00 0.00 39.78 39.99 2bgu n ASN 264 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 2bgu s PHE 265 N -1.13 3.68 -0.19 1.20 0.40 -0.55 -1.59 117.98 119.79 2bgu s PHE 265 Ca 0.00 1.01 -0.04 0.00 -0.60 0.00 0.00 56.93 57.30 2bgu s PHE 265 Cb 0.00 -2.32 -0.02 0.00 0.51 0.00 0.00 43.02 41.20 2bgu s PHE 265 CO 0.00 0.55 -0.03 0.42 0.70 0.00 0.00 175.22 176.86 2bgu s ILE 266 N -1.25 3.68 0.32 0.64 -1.09 -1.26 -4.85 121.20 117.39 2bgu s ILE 266 Ca 0.30 -0.41 0.06 0.00 -2.23 0.00 0.00 60.65 58.37 2bgu s ILE 266 Cb -0.16 -2.65 -0.01 0.00 -1.58 0.00 0.00 42.46 38.06 2bgu s ILE 266 CO 0.17 0.45 0.46 0.42 -1.23 0.00 0.00 174.94 175.20 2bgu s THR 267 N 0.96 4.32 0.41 2.92 -4.23 -1.26 -4.82 115.64 113.94 2bgu s THR 267 Ca 0.00 -0.96 0.13 0.00 -1.18 0.00 0.00 61.69 59.68 2bgu s THR 267 Cb -0.15 -3.51 0.34 0.00 1.34 0.00 0.00 72.50 70.52 2bgu s THR 267 CO 0.01 -0.20 1.93 0.25 -0.54 0.00 0.00 174.62 176.06 2bgu h LEU 268 N 0.92 0.46 -2.12 4.79 5.85 -1.98 -0.88 115.31 122.34 2bgu h LEU 268 Ca -0.47 0.02 0.05 0.00 0.84 0.00 0.00 57.88 58.32 2bgu h LEU 268 Cb 1.25 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.20 2bgu h LEU 268 CO 0.55 0.25 0.15 0.08 -0.34 0.00 0.00 178.44 179.13 2bgu h ARG 269 N 0.50 0.00 -0.54 1.25 0.11 -1.95 -0.89 114.38 112.85 2bgu h ARG 269 Ca 0.36 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.43 2bgu h ARG 269 Cb 0.70 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.76 2bgu h ARG 269 CO -0.12 0.00 0.31 0.28 0.10 0.00 0.00 179.97 180.53 2bgu h VAL 270 N 0.00 1.18 0.04 0.08 2.07 -1.55 0.10 116.25 118.16 2bgu h VAL 270 Ca 0.09 -0.43 -0.24 0.00 0.82 0.00 0.00 66.70 66.93 2bgu h VAL 270 Cb 0.38 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 30.63 2bgu h VAL 270 CO -0.00 0.19 -1.02 -0.50 0.02 0.00 0.00 177.57 176.26 2bgu h TRP 271 N 0.73 0.58 -0.38 1.57 4.06 -1.33 0.83 115.95 122.01 2bgu h TRP 271 Ca 0.19 -0.34 -0.07 0.00 2.06 0.00 0.00 58.89 60.73 2bgu h TRP 271 Cb 0.03 -0.06 -0.02 0.00 -1.00 0.00 0.00 29.16 28.12 2bgu h TRP 271 CO -0.02 1.18 -0.06 0.93 -3.56 0.00 0.00 178.44 176.92 2bgu h GLU 272 N 0.19 0.62 0.05 0.49 5.08 -1.02 -1.40 114.58 118.58 2bgu h GLU 272 Ca -0.09 -0.17 -0.18 0.00 -1.00 0.00 0.00 59.36 57.91 2bgu h GLU 272 Cb 1.68 -0.07 0.02 0.00 0.50 0.00 0.00 28.75 30.87 2bgu h GLU 272 CO 0.17 0.68 -0.75 1.15 -1.00 0.00 0.00 179.01 179.27 2bgu h THR 273 N 0.58 1.43 -0.24 1.13 2.02 -0.72 -3.11 112.91 113.99 2bgu h THR 273 Ca 0.11 -2.25 -0.03 0.00 0.77 0.00 0.00 66.41 65.01 2bgu h THR 273 Cb 0.45 2.75 -0.01 0.00 -1.74 0.00 0.00 68.15 69.60 2bgu h THR 273 CO 0.02 0.65 0.01 -0.03 0.37 0.00 0.00 175.52 176.55 2bgu h MET 274 N -0.11 0.36 0.00 6.66 -1.53 -0.70 -1.78 114.93 117.84 2bgu h MET 274 Ca -0.11 -0.06 0.00 0.00 -3.44 0.00 0.00 59.70 56.09 2bgu h MET 274 Cb 1.48 -0.06 0.00 0.00 -0.55 0.00 0.00 31.60 32.47 2bgu h MET 274 CO 0.15 0.38 -0.07 0.00 0.14 0.00 0.00 176.91 177.50 2bgu n ALA 275 N -2.49 2.42 -1.95 0.39 0.00 -0.54 -4.38 120.51 113.96 2bgu n ALA 275 Ca 0.01 -0.10 -0.28 0.00 0.00 0.00 0.00 53.44 53.07 2bgu n ALA 275 Cb 0.19 -1.43 0.16 0.00 0.00 0.00 0.00 19.45 18.38 2bgu n ALA 275 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2bgu s SER 276 N -3.66 3.45 0.00 0.00 1.04 -0.67 -0.85 113.70 113.01 2bgu s SER 276 Ca 0.12 0.06 0.17 0.00 0.48 0.00 0.00 55.95 56.78 2bgu s SER 276 Cb 0.16 -0.19 0.51 0.00 0.10 0.00 0.00 66.02 66.60 2bgu s SER 276 CO 0.58 -2.49 1.40 -0.67 0.98 0.00 0.00 173.24 173.04 2bgu n ASP 277 N -3.50 2.27 -4.83 7.02 2.03 -1.26 -4.75 116.55 113.53 2bgu n ASP 277 Ca 0.15 -1.91 -0.36 0.00 0.52 0.00 0.00 54.79 53.19 2bgu n ASP 277 Cb 0.60 -0.23 -0.07 0.00 -0.72 0.00 0.00 41.12 40.70 2bgu n ASP 277 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2bgu s ALA 278 N -1.54 3.82 0.16 -1.67 0.00 -1.26 -4.91 121.76 116.36 2bgu s ALA 278 Ca 0.31 -0.65 -0.31 0.00 0.00 0.00 0.00 51.96 51.32 2bgu s ALA 278 Cb 0.17 -2.04 -0.09 0.00 0.00 0.00 0.00 23.12 21.17 2bgu s ALA 278 CO 0.23 0.48 1.37 0.08 0.00 0.00 0.00 175.76 177.92 2bgu s VAL 279 N -0.60 3.18 -0.18 0.00 1.01 -0.22 -4.69 120.40 118.90 2bgu s VAL 279 Ca 0.13 0.90 -0.26 0.00 0.00 0.00 0.00 61.98 62.75 2bgu s VAL 279 Cb -0.12 -3.58 -0.01 0.00 0.00 0.00 0.00 36.38 32.67 2bgu s VAL 279 CO 0.02 0.10 0.89 -0.32 0.00 0.00 0.00 175.10 175.79 2bgu s MET 280 N 0.46 4.30 -0.18 2.72 0.00 -1.26 -1.32 119.30 124.02 2bgu s MET 280 Ca 0.61 1.11 -0.01 0.00 0.00 0.00 0.00 55.69 57.40 2bgu s MET 280 Cb -0.37 -3.59 0.00 0.00 0.00 0.00 0.00 34.83 30.87 2bgu s MET 280 CO 0.35 -0.39 -0.13 -0.51 0.00 0.00 0.00 175.02 174.34 2bgu s LEU 281 N 2.35 2.51 -0.12 4.11 1.43 -0.79 -4.75 118.68 123.43 2bgu s LEU 281 Ca 0.40 -0.49 -0.02 0.00 -1.03 0.00 0.00 54.13 52.99 2bgu s LEU 281 Cb -0.16 -1.60 -0.03 0.00 0.03 0.00 0.00 46.19 44.43 2bgu s LEU 281 CO 0.12 0.03 -0.06 -0.63 0.23 0.00 0.00 176.35 176.03 2bgu s ILE 282 N 1.16 3.70 -0.05 -0.59 1.01 0.92 -1.07 121.20 126.28 2bgu s ILE 282 Ca 0.01 -0.45 -0.30 0.00 0.00 0.00 0.00 60.65 59.92 2bgu s ILE 282 Cb -0.14 -2.57 -0.07 0.00 0.01 0.00 0.00 42.46 39.69 2bgu s ILE 282 CO -0.05 0.54 1.85 -0.62 0.00 0.00 0.00 174.94 176.65 2bgu s ASP 283 N -0.06 6.42 0.28 3.58 2.15 -0.81 -0.73 116.67 127.50 2bgu s ASP 283 Ca 0.01 2.34 -0.00 0.00 0.43 0.00 0.00 52.55 55.32 2bgu s ASP 283 Cb -0.13 -2.53 0.65 0.00 -0.30 0.00 0.00 42.92 40.61 2bgu s ASP 283 CO 0.03 -1.12 1.63 -0.08 -0.17 0.00 0.00 175.17 175.46 2bgu h GLU 284 N 10.67 0.14 -0.10 4.34 4.57 -1.45 0.11 114.58 132.86 2bgu h GLU 284 Ca -0.43 -0.01 0.03 0.00 -1.18 0.00 0.00 59.36 57.76 2bgu h GLU 284 Cb 1.21 -0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 29.76 2bgu h GLU 284 CO 0.95 0.09 0.09 1.49 -1.18 0.00 0.00 179.01 180.45 2bgu h GLU 285 N 0.14 0.00 -0.04 1.92 4.81 -1.89 -1.70 114.58 117.82 2bgu h GLU 285 Ca 0.53 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.62 2bgu h GLU 285 Cb 1.04 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.41 2bgu h GLU 285 CO -0.71 0.00 -0.61 0.35 -0.73 0.00 0.00 179.01 177.31 2bgu h PHE 286 N 0.00 0.17 -1.43 0.92 3.57 -1.15 -3.39 116.94 115.63 2bgu h PHE 286 Ca 0.05 -0.07 -0.42 0.00 3.53 0.00 0.00 57.97 61.06 2bgu h PHE 286 Cb 0.22 -0.03 -0.29 0.00 2.79 0.00 0.00 35.95 38.64 2bgu h PHE 286 CO 0.00 0.70 -0.83 -3.47 -2.23 0.00 0.00 178.31 172.49 2bgu n ASP 287 N -3.85 -1.32 0.22 0.41 2.03 -0.70 -0.45 116.55 112.88 2bgu n ASP 287 Ca -0.02 -2.81 0.06 0.00 0.52 0.00 0.00 54.79 52.54 2bgu n ASP 287 Cb 0.61 0.38 0.54 0.00 -0.72 0.00 0.00 41.12 41.93 2bgu n ASP 287 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 2bgu h THR 288 N 3.32 1.08 -0.00 5.18 1.35 -1.58 -2.02 112.91 120.24 2bgu h THR 288 Ca 0.06 -0.37 0.00 0.00 -0.55 0.00 0.00 66.41 65.55 2bgu h THR 288 Cb 0.96 1.15 0.00 0.00 -1.73 0.00 0.00 68.15 68.53 2bgu h THR 288 CO 0.34 0.11 -0.13 0.29 -0.25 0.00 0.00 175.52 175.88 2bgu n LYS 289 N -4.41 0.72 -3.51 4.72 4.76 -1.26 -4.94 118.16 114.24 2bgu n LYS 289 Ca -0.02 -0.28 -0.19 0.00 -2.87 0.00 0.00 58.31 54.94 2bgu n LYS 289 Cb 0.18 -1.49 0.08 0.00 -1.84 0.00 0.00 35.03 31.95 2bgu n LYS 289 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 2bgu n HIS 290 N -0.90 -2.35 -0.02 2.13 8.25 -0.76 -4.93 115.22 116.64 2bgu n HIS 290 Ca 0.14 0.95 -0.09 0.00 -0.26 0.00 0.00 57.72 58.46 2bgu n HIS 290 Cb 0.29 -5.00 0.06 0.00 1.12 0.00 0.00 29.99 26.46 2bgu n HIS 290 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2bgu h ARG 291 N -2.11 0.63 0.29 -0.41 3.08 -1.92 -3.27 114.38 110.67 2bgu h ARG 291 Ca -0.59 -0.36 -0.01 0.00 0.07 0.00 0.00 59.98 59.09 2bgu h ARG 291 Cb 1.35 0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.43 2bgu h ARG 291 CO 0.52 0.97 -0.14 0.82 -1.07 0.00 0.00 179.97 181.07 2bgu h ILE 292 N 0.50 0.74 -3.08 2.04 2.04 -1.92 -3.43 117.51 114.40 2bgu h ILE 292 Ca 0.03 -0.41 -0.25 0.00 1.00 0.00 0.00 64.86 65.23 2bgu h ILE 292 Cb 1.02 0.96 -0.33 0.00 -0.74 0.00 0.00 36.82 37.73 2bgu h ILE 292 CO 0.10 0.08 -0.59 -0.63 0.00 0.00 0.00 178.15 177.11 2bgu s ILE 293 N -5.20 -0.21 -1.34 -0.67 1.01 -1.25 -5.06 121.20 108.49 2bgu s ILE 293 Ca -0.15 0.27 -0.13 0.00 0.00 0.00 0.00 60.65 60.64 2bgu s ILE 293 Cb 0.03 -0.32 0.11 0.00 0.01 0.00 0.00 42.46 42.29 2bgu s ILE 293 CO 0.59 0.11 1.91 -3.20 0.00 0.00 0.00 174.94 174.36 2bgu n ASN 294 N 4.89 4.66 -3.54 3.58 5.15 -1.23 -4.76 115.26 124.01 2bgu n ASN 294 Ca -0.13 -2.97 -0.04 0.00 -0.60 0.00 0.00 54.58 50.84 2bgu n ASN 294 Cb 0.51 -1.60 -0.06 0.00 -0.53 0.00 0.00 39.78 38.10 2bgu n ASN 294 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2bgu s ASP 295 N 2.53 -0.70 0.63 1.20 -1.08 -1.26 -5.05 116.67 112.94 2bgu s ASP 295 Ca 0.45 1.10 0.41 0.00 -0.52 0.00 0.00 52.55 53.99 2bgu s ASP 295 Cb 0.08 1.80 2.06 0.00 -1.46 0.00 0.00 42.92 45.41 2bgu s ASP 295 CO -0.02 -0.24 2.24 0.00 0.52 0.00 0.00 175.17 177.67 2bgu h ALA 296 N 8.08 1.01 0.00 3.66 0.00 -1.97 -2.93 119.26 127.12 2bgu h ALA 296 Ca -0.18 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 2bgu h ALA 296 Cb 1.12 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.91 2bgu h ALA 296 CO 0.15 0.00 -0.00 0.00 0.00 0.00 0.00 179.25 179.40 2bgu h ARG 297 N 0.00 0.00 -0.01 0.00 3.08 -1.96 -2.65 114.38 112.84 2bgu h ARG 297 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2bgu h ARG 297 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.23 2bgu h ARG 297 CO 0.00 0.00 -0.24 1.19 -1.07 0.00 0.00 179.97 179.85 2bgu n PHE 298 N -3.10 0.00 -4.46 3.04 3.01 -1.11 -4.91 117.46 109.93 2bgu n PHE 298 Ca -0.02 0.00 -0.32 0.00 1.01 0.00 0.00 57.45 58.12 2bgu n PHE 298 Cb 0.17 -0.15 -0.10 0.00 -0.01 0.00 0.00 39.48 39.38 2bgu n PHE 298 CO 0.00 0.00 0.00 0.71 1.01 0.00 0.00 176.76 178.48 2bgu s TYR 299 N -2.55 2.88 -0.02 1.38 1.51 -1.00 -0.05 117.35 119.50 2bgu s TYR 299 Ca 0.24 -0.04 0.03 0.00 -1.01 0.00 0.00 57.07 56.28 2bgu s TYR 299 Cb 0.19 -1.61 -0.00 0.00 -0.11 0.00 0.00 41.96 40.44 2bgu s TYR 299 CO 0.53 0.37 -0.09 0.14 -1.11 0.00 0.00 175.55 175.39 2bgu s VAL 300 N -0.99 0.74 -0.05 0.71 -7.23 0.09 -4.90 120.40 108.76 2bgu s VAL 300 Ca 0.17 -0.37 0.12 0.00 -1.81 0.00 0.00 61.98 60.09 2bgu s VAL 300 Cb -0.11 -0.64 -0.23 0.00 0.56 0.00 0.00 36.38 35.96 2bgu s VAL 300 CO 0.07 0.22 0.64 0.59 -0.31 0.00 0.00 175.10 176.31 2bgu n ASN 301 N 3.09 0.92 -2.16 4.85 3.02 -1.26 -1.11 115.26 122.62 2bgu n ASN 301 Ca -0.16 0.40 -0.07 0.00 -0.03 0.00 0.00 54.58 54.72 2bgu n ASN 301 Cb 0.55 -0.09 0.01 0.00 -0.61 0.00 0.00 39.78 39.64 2bgu n ASN 301 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 2bgu n ASN 302 N -3.06 -1.24 -0.28 6.41 0.23 -1.26 -4.86 115.26 111.20 2bgu n ASN 302 Ca -0.18 -2.06 -0.02 0.00 -0.53 0.00 0.00 54.58 51.80 2bgu n ASN 302 Cb 1.05 2.13 0.10 0.00 -2.08 0.00 0.00 39.78 40.98 2bgu n ASN 302 CO 0.00 0.00 0.00 -0.09 -0.93 0.00 0.00 177.26 176.24 2bgu h ARG 303 N 0.00 0.90 -0.54 -3.83 2.43 -1.95 -2.23 114.38 109.16 2bgu h ARG 303 Ca -0.20 -0.05 0.03 0.00 -0.81 0.00 0.00 59.98 58.95 2bgu h ARG 303 Cb 0.76 -0.20 -0.04 0.00 -0.42 0.00 0.00 29.97 30.07 2bgu h ARG 303 CO 0.25 0.59 0.32 0.00 -1.51 0.00 0.00 179.97 179.63 2bgu h ALA 304 N 1.34 0.69 -0.21 2.80 0.00 -1.97 -1.39 119.26 120.52 2bgu h ALA 304 Ca 0.32 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 55.10 2bgu h ALA 304 Cb 0.06 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2bgu h ALA 304 CO -0.13 0.02 -0.39 0.93 0.00 0.00 0.00 179.25 179.68 2bgu h GLU 305 N 0.63 0.48 -0.16 0.00 5.08 -1.87 -2.15 114.58 116.59 2bgu h GLU 305 Ca 0.22 -0.23 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2bgu h GLU 305 Cb 0.04 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 2bgu h GLU 305 CO -0.11 0.80 0.10 1.25 -1.00 0.00 0.00 179.01 180.05 2bgu h LEU 306 N 0.40 0.20 0.04 1.33 7.12 -0.96 0.75 115.31 124.20 2bgu h LEU 306 Ca 0.04 -0.05 0.02 0.00 0.13 0.00 0.00 57.88 58.01 2bgu h LEU 306 Cb 0.86 -0.05 -0.02 0.00 -0.53 0.00 0.00 40.66 40.91 2bgu h LEU 306 CO 0.07 0.19 -0.13 0.40 -0.13 0.00 0.00 178.44 178.84 2bgu h ILE 307 N 0.19 0.69 -0.58 4.05 2.04 -1.10 0.18 117.51 122.98 2bgu h ILE 307 Ca 0.06 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.93 2bgu h ILE 307 Cb 0.03 0.69 -0.03 0.00 -0.74 0.00 0.00 36.82 36.77 2bgu h ILE 307 CO -0.01 0.00 0.38 0.44 0.00 0.00 0.00 178.15 178.96 2bgu h ASP 308 N -0.24 0.66 -0.72 1.72 3.32 -1.26 -1.16 116.42 118.74 2bgu h ASP 308 Ca 0.03 -0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.03 2bgu h ASP 308 Cb 0.27 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.63 2bgu h ASP 308 CO -0.10 0.48 0.29 -0.09 -1.72 0.00 0.00 179.24 178.10 2bgu h ARG 309 N 0.78 1.06 -0.34 3.56 9.65 -0.37 -0.93 114.38 127.79 2bgu h ARG 309 Ca 0.21 -0.19 -0.12 0.00 -1.10 0.00 0.00 59.98 58.78 2bgu h ARG 309 Cb -0.09 -0.18 -0.01 0.00 -1.39 0.00 0.00 29.97 28.30 2bgu h ARG 309 CO -0.05 0.87 -0.27 0.28 2.80 0.00 0.00 179.97 183.61 2bgu h VAL 310 N 1.02 1.28 -0.67 0.20 2.07 -0.62 -1.56 116.25 117.97 2bgu h VAL 310 Ca 0.24 -1.38 -0.08 0.00 0.82 0.00 0.00 66.70 66.30 2bgu h VAL 310 Cb 0.20 1.30 -0.03 0.00 -1.52 0.00 0.00 31.29 31.24 2bgu h VAL 310 CO -0.02 0.45 0.10 0.78 0.02 0.00 0.00 177.57 178.90 2bgu h ASN 311 N 0.61 1.07 0.02 0.57 -0.26 -0.91 -0.15 115.58 116.53 2bgu h ASN 311 Ca 0.08 -0.26 0.00 0.00 -0.56 0.00 0.00 56.30 55.55 2bgu h ASN 311 Cb 0.77 -0.28 -0.00 0.00 -1.06 0.00 0.00 38.32 37.75 2bgu h ASN 311 CO 0.06 1.06 -0.02 -0.33 -1.06 0.00 0.00 177.43 177.14 2bgu h GLU 312 N 1.03 -0.04 -0.69 0.81 4.39 -0.84 -2.25 114.58 116.98 2bgu h GLU 312 Ca 0.20 0.00 0.03 0.00 0.34 0.00 0.00 59.36 59.93 2bgu h GLU 312 Cb 0.45 0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 29.07 2bgu h GLU 312 CO 0.01 -0.03 0.43 -0.07 -1.16 0.00 0.00 179.01 178.20 2bgu h LEU 313 N -0.05 0.71 -2.01 1.33 4.07 -0.96 -1.14 115.31 117.26 2bgu h LEU 313 Ca 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.94 2bgu h LEU 313 Cb 0.04 -0.15 -0.00 0.00 1.08 0.00 0.00 40.66 41.63 2bgu h LEU 313 CO -0.00 0.49 -0.09 0.11 -1.08 0.00 0.00 178.44 177.86 2bgu h LYS 314 N 0.84 0.00 -0.02 1.13 1.57 -0.83 -3.02 116.57 116.25 2bgu h LYS 314 Ca 0.28 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.06 2bgu h LYS 314 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.33 2bgu h LYS 314 CO -0.11 0.09 -0.05 0.72 -0.57 0.00 0.00 179.45 179.53 2bgu n HIS 315 N -3.93 0.00 -3.62 -1.35 8.25 -0.83 -4.83 115.22 108.92 2bgu n HIS 315 Ca -0.02 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.14 2bgu n HIS 315 Cb 0.18 0.00 -0.15 0.00 1.12 0.00 0.00 29.99 31.15 2bgu n HIS 315 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2bgu s SER 316 N -1.31 3.69 0.31 0.41 0.15 -0.49 -4.97 113.70 111.48 2bgu s SER 316 Ca 0.16 -1.56 0.03 0.00 0.70 0.00 0.00 55.95 55.27 2bgu s SER 316 Cb 0.12 -0.58 0.52 0.00 -1.71 0.00 0.00 66.02 64.36 2bgu s SER 316 CO 0.21 -0.41 1.83 -0.78 1.20 0.00 0.00 173.24 175.30 2bgu h ASP 317 N 8.09 0.56 -0.76 5.45 3.58 -1.88 -0.82 116.42 130.64 2bgu h ASP 317 Ca -0.14 -0.12 0.00 0.00 0.42 0.00 0.00 57.03 57.19 2bgu h ASP 317 Cb 1.00 -0.15 -0.04 0.00 1.72 0.00 0.00 39.33 41.87 2bgu h ASP 317 CO 0.44 0.64 0.49 0.58 -2.88 0.00 0.00 179.24 178.51 2bgu h VAL 318 N 0.56 1.20 0.19 2.25 2.07 -1.93 0.25 116.25 120.83 2bgu h VAL 318 Ca 0.12 -0.38 -0.01 0.00 0.82 0.00 0.00 66.70 67.25 2bgu h VAL 318 Cb 0.38 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.25 2bgu h VAL 318 CO 0.01 0.20 -0.09 0.25 0.02 0.00 0.00 177.57 177.96 2bgu h LEU 319 N 1.03 -0.21 -0.59 2.57 6.46 -1.82 -0.36 115.31 122.40 2bgu h LEU 319 Ca 0.28 -0.26 0.06 0.00 -0.12 0.00 0.00 57.88 57.84 2bgu h LEU 319 Cb -0.10 0.05 -0.05 0.00 -0.73 0.00 0.00 40.66 39.83 2bgu h LEU 319 CO -0.06 0.17 0.29 -0.09 -0.62 0.00 0.00 178.44 178.13 2bgu h ARG 320 N -0.62 0.52 -0.12 1.25 2.43 -1.03 -0.24 114.38 116.57 2bgu h ARG 320 Ca -0.03 -0.03 -0.12 0.00 -0.81 0.00 0.00 59.98 58.99 2bgu h ARG 320 Cb 0.46 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.88 2bgu h ARG 320 CO 0.04 0.35 -0.47 0.87 -1.51 0.00 0.00 179.97 179.25 2bgu h LYS 321 N 0.54 0.30 -0.20 0.20 1.57 -0.49 -2.08 116.57 116.40 2bgu h LYS 321 Ca 0.27 -0.16 -0.04 0.00 -1.87 0.00 0.00 60.65 58.85 2bgu h LYS 321 Cb 0.22 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 2bgu h LYS 321 CO -0.20 0.71 -0.04 1.49 -0.57 0.00 0.00 179.45 180.83 2bgu h GLU 322 N 0.24 0.38 -0.70 3.15 4.81 -0.29 -2.24 114.58 119.93 2bgu h GLU 322 Ca 0.01 -0.15 -0.02 0.00 -0.13 0.00 0.00 59.36 59.08 2bgu h GLU 322 Cb 0.92 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.25 2bgu h GLU 322 CO 0.08 0.63 0.37 0.52 -0.73 0.00 0.00 179.01 179.88 2bgu h MET 323 N 0.11 0.99 -0.46 1.92 2.86 -0.94 -0.71 114.93 118.71 2bgu h MET 323 Ca 0.05 -0.12 0.01 0.00 -2.06 0.00 0.00 59.70 57.57 2bgu h MET 323 Cb 0.49 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 31.93 2bgu h MET 323 CO 0.02 0.75 0.30 -0.07 1.06 0.00 0.00 176.91 178.97 2bgu h LEU 324 N 0.97 0.51 -0.93 1.22 3.38 -1.38 -0.63 115.31 118.46 2bgu h LEU 324 Ca 0.25 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.19 2bgu h LEU 324 Cb 0.06 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.65 2bgu h LEU 324 CO -0.04 0.37 0.49 -1.28 0.09 0.00 0.00 178.44 178.07 2bgu h SER 325 N 0.61 1.11 -0.37 -0.43 0.87 -1.08 -1.40 113.55 112.87 2bgu h SER 325 Ca 0.17 -0.10 -0.08 0.00 -1.23 0.00 0.00 61.79 60.55 2bgu h SER 325 Cb -0.06 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 61.60 2bgu h SER 325 CO -0.04 0.90 -0.10 0.40 -0.53 0.00 0.00 176.83 177.46 2bgu h ILE 326 N 1.25 1.28 -0.22 2.23 2.04 -0.45 -2.11 117.51 121.53 2bgu h ILE 326 Ca 0.31 -1.17 -0.13 0.00 1.00 0.00 0.00 64.86 64.87 2bgu h ILE 326 Cb 0.03 1.28 -0.01 0.00 -0.74 0.00 0.00 36.82 37.37 2bgu h ILE 326 CO -0.05 0.39 -0.39 0.06 0.00 0.00 0.00 178.15 178.15 2bgu h GLN 327 N 0.52 0.51 -0.16 2.37 3.07 -1.00 -1.94 115.11 118.47 2bgu h GLN 327 Ca 0.09 -0.25 -0.13 0.00 0.09 0.00 0.00 58.65 58.45 2bgu h GLN 327 Cb 0.61 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.16 2bgu h GLN 327 CO 0.04 0.82 -0.47 0.45 0.09 0.00 0.00 178.83 179.76 2bgu h HIS 328 N 0.42 0.48 0.05 0.06 3.86 -1.24 -1.59 115.15 117.18 2bgu h HIS 328 Ca 0.04 -0.15 -0.00 0.00 -1.16 0.00 0.00 60.37 59.10 2bgu h HIS 328 Cb 0.87 -0.10 0.00 0.00 1.06 0.00 0.00 27.41 29.25 2bgu h HIS 328 CO 0.03 0.79 -0.03 0.22 0.86 0.00 0.00 177.93 179.81 2bgu h ASP 329 N 0.32 -0.06 -0.68 2.45 3.58 -1.12 0.47 116.42 121.38 2bgu h ASP 329 Ca 0.02 -0.07 0.06 0.00 0.42 0.00 0.00 57.03 57.46 2bgu h ASP 329 Cb 0.95 0.02 -0.06 0.00 1.72 0.00 0.00 39.33 41.96 2bgu h ASP 329 CO 0.08 0.03 0.38 0.40 -2.88 0.00 0.00 179.24 177.25 2bgu h ILE 330 N -0.15 0.96 -0.49 2.25 1.08 -1.22 -0.60 117.51 119.34 2bgu h ILE 330 Ca -0.01 -0.24 0.03 0.00 -0.39 0.00 0.00 64.86 64.25 2bgu h ILE 330 Cb 0.12 0.21 -0.03 0.00 -3.07 0.00 0.00 36.82 34.05 2bgu h ILE 330 CO 0.01 0.13 0.28 0.25 -0.69 0.00 0.00 178.15 178.13 2bgu h LEU 331 N 0.69 0.45 -0.86 1.44 5.85 -0.86 -2.13 115.31 119.89 2bgu h LEU 331 Ca 0.31 0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.97 2bgu h LEU 331 Cb 0.21 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.13 2bgu h LEU 331 CO -0.19 0.32 0.11 0.78 -0.34 0.00 0.00 178.44 179.11 2bgu h ASN 332 N 0.56 0.91 -0.26 1.25 2.35 0.21 -1.25 115.58 119.36 2bgu h ASN 332 Ca 0.20 -0.19 -0.07 0.00 -0.55 0.00 0.00 56.30 55.69 2bgu h ASN 332 Cb 0.04 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.15 2bgu h ASN 332 CO -0.10 0.90 -0.05 0.11 -1.65 0.00 0.00 177.43 176.65 2bgu h LYS 333 N 0.91 0.62 -0.26 0.81 1.57 -0.81 -1.03 116.57 118.38 2bgu h LYS 333 Ca 0.19 -0.16 -0.17 0.00 -1.87 0.00 0.00 60.65 58.64 2bgu h LYS 333 Cb 0.38 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.62 2bgu h LYS 333 CO 0.01 0.67 -0.50 1.15 -0.57 0.00 0.00 179.45 180.21 2bgu h THR 334 N 0.58 1.29 0.00 -0.16 2.02 -0.98 -2.79 112.91 112.87 2bgu h THR 334 Ca 0.11 -1.70 -0.02 0.00 0.77 0.00 0.00 66.41 65.58 2bgu h THR 334 Cb 0.44 1.72 -0.00 0.00 -1.74 0.00 0.00 68.15 68.56 2bgu h THR 334 CO 0.02 0.55 -0.09 0.03 0.37 0.00 0.00 175.52 176.40 2bgu h ARG 335 N 0.54 0.00 0.00 6.66 3.08 -0.89 -2.09 114.38 121.68 2bgu h ARG 335 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 2bgu h ARG 335 Cb 1.11 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.16 2bgu h ARG 335 CO 0.11 0.09 0.00 0.00 -1.07 0.00 0.00 179.97 179.10 2bgu n ALA 336 N -2.18 1.77 -1.37 0.04 0.00 -0.42 -2.80 120.51 115.54 2bgu n ALA 336 Ca -0.01 -0.06 -0.13 0.00 0.00 0.00 0.00 53.44 53.25 2bgu n ALA 336 Cb 0.27 -1.27 0.19 0.00 0.00 0.00 0.00 19.45 18.64 2bgu n ALA 336 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2bgu n LYS 337 N -1.49 2.00 -0.30 0.00 5.02 -0.79 -4.70 118.16 117.90 2bgu n LYS 337 Ca 0.04 -3.13 -0.04 0.00 -2.02 0.00 0.00 58.31 53.17 2bgu n LYS 337 Cb 0.19 -1.97 0.08 0.00 -0.02 0.00 0.00 35.03 33.31 2bgu n LYS 337 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 2bgu h LYS 338 N 1.00 1.09 -0.80 1.97 3.64 -1.67 -1.32 116.57 120.48 2bgu h LYS 338 Ca 0.40 -0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 59.67 2bgu h LYS 338 Cb 2.16 -0.24 -0.04 0.00 -0.41 0.00 0.00 32.23 33.70 2bgu h LYS 338 CO 0.69 0.73 0.37 0.00 -2.27 0.00 0.00 179.45 178.97 2bgu h ALA 339 N 1.29 1.04 -0.36 5.00 0.00 -1.88 0.81 119.26 125.15 2bgu h ALA 339 Ca 0.30 -0.16 -0.13 0.00 0.00 0.00 0.00 54.91 54.92 2bgu h ALA 339 Cb -0.11 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.35 2bgu h ALA 339 CO -0.06 0.61 -0.28 0.93 0.00 0.00 0.00 179.25 180.45 2bgu h GLU 340 N 1.14 0.77 -0.38 0.00 5.08 -1.85 -1.91 114.58 117.43 2bgu h GLU 340 Ca 0.27 -0.34 -0.05 0.00 -1.00 0.00 0.00 59.36 58.25 2bgu h GLU 340 Cb 0.14 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 2bgu h GLU 340 CO -0.03 0.96 0.05 2.35 -1.00 0.00 0.00 179.01 181.33 2bgu h TRP 341 N 0.66 0.69 -0.60 4.33 7.01 -0.76 -1.24 115.95 126.04 2bgu h TRP 341 Ca 0.08 -0.10 -0.02 0.00 2.11 0.00 0.00 58.89 60.96 2bgu h TRP 341 Cb 0.81 -0.19 -0.03 0.00 -2.10 0.00 0.00 29.16 27.66 2bgu h TRP 341 CO 0.04 0.70 0.30 1.96 -2.79 0.00 0.00 178.44 178.65 2bgu h GLN 342 N 0.48 0.85 -0.32 2.65 4.20 -0.70 -1.06 115.11 121.21 2bgu h GLN 342 Ca 0.11 -0.12 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 2bgu h GLN 342 Cb 0.39 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.00 2bgu h GLN 342 CO 0.01 0.67 0.15 -0.44 -0.67 0.00 0.00 178.83 178.55 2bgu h ASP 343 N 0.81 0.42 -0.42 1.46 3.32 -1.24 -0.92 116.42 119.85 2bgu h ASP 343 Ca 0.21 -0.13 -0.01 0.00 0.02 0.00 0.00 57.03 57.11 2bgu h ASP 343 Cb 0.09 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.51 2bgu h ASP 343 CO -0.03 0.44 0.24 0.00 -1.72 0.00 0.00 179.24 178.17 2bgu h ALA 344 N 1.00 1.58 -0.34 3.45 0.00 -1.02 -0.09 119.26 123.85 2bgu h ALA 344 Ca 0.11 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 2bgu h ALA 344 Cb 0.13 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2bgu h ALA 344 CO -0.01 0.35 -0.11 0.35 0.00 0.00 0.00 179.25 179.83 2bgu h PHE 345 N 0.62 0.76 -0.76 0.00 3.57 -0.49 -1.22 116.94 119.42 2bgu h PHE 345 Ca 0.16 -0.17 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 2bgu h PHE 345 Cb 0.03 -0.18 -0.04 0.00 2.79 0.00 0.00 35.95 38.55 2bgu h PHE 345 CO 0.00 0.85 0.41 0.87 -2.23 0.00 0.00 178.31 178.22 2bgu h LYS 346 N 0.45 1.07 -0.50 1.11 1.57 -0.52 -2.37 116.57 117.38 2bgu h LYS 346 Ca 0.08 -0.13 -0.08 0.00 -1.87 0.00 0.00 60.65 58.65 2bgu h LYS 346 Cb 0.63 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.71 2bgu h LYS 346 CO 0.04 0.80 0.00 0.87 -0.57 0.00 0.00 179.45 180.59 2bgu h LYS 347 N 1.06 0.83 0.00 3.15 1.57 -0.94 -0.96 116.57 121.28 2bgu h LYS 347 Ca 0.27 -0.23 -0.03 0.00 -1.87 0.00 0.00 60.65 58.79 2bgu h LYS 347 Cb 0.05 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.26 2bgu h LYS 347 CO -0.04 0.83 -0.13 0.00 -0.57 0.00 0.00 179.45 179.54 2bgu h ALA 348 N 1.23 1.40 -0.74 3.86 0.00 -0.71 -1.62 119.26 122.67 2bgu h ALA 348 Ca 0.15 -0.12 -0.35 0.00 0.00 0.00 0.00 54.91 54.59 2bgu h ALA 348 Cb 0.47 -0.02 -0.21 0.00 0.00 0.00 0.00 17.79 18.03 2bgu h ALA 348 CO 0.02 0.16 0.36 0.44 0.00 0.00 0.00 179.25 180.23 2bgu n ILE 349 N -3.82 2.94 -3.64 0.00 -5.35 -0.96 -4.96 119.36 103.59 2bgu n ILE 349 Ca -0.02 -2.11 -0.22 0.00 -0.27 0.00 0.00 62.75 60.13 2bgu n ILE 349 Cb 0.23 -0.40 0.06 0.00 -1.74 0.00 0.00 39.64 37.79 2bgu n ILE 349 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 2bgu n ASP 350 N -0.94 -3.07 -0.13 7.28 8.00 -0.61 -5.02 116.55 122.06 2bgu n ASP 350 Ca 0.48 -0.70 0.02 0.00 0.71 0.00 0.00 54.79 55.29 2bgu n ASP 350 Cb 1.42 -4.54 0.01 0.00 -0.02 0.00 0.00 41.12 37.99 2bgu n ASP 350 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99