#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ogc s LYS 2 N 0.00 4.26 0.04 0.03 2.20 -1.26 -4.94 119.74 120.07 1ogc s LYS 2 Ca 0.00 2.19 -0.14 0.00 -0.36 0.00 0.00 55.97 57.66 1ogc s LYS 2 Cb 0.00 -3.32 -0.34 0.00 -1.51 0.00 0.00 37.83 32.65 1ogc s LYS 2 CO 0.00 -0.56 1.02 0.87 -0.36 0.00 0.00 175.35 176.32 1ogc h LYS 3 N 7.20 0.49 -5.76 4.03 1.57 -2.05 -3.48 116.57 118.58 1ogc h LYS 3 Ca -0.42 -0.84 -0.63 0.00 -1.87 0.00 0.00 60.65 56.89 1ogc h LYS 3 Cb 1.20 0.31 -0.13 0.00 0.08 0.00 0.00 32.23 33.69 1ogc h LYS 3 CO 0.90 1.40 -0.63 -1.01 -0.57 0.00 0.00 179.45 179.54 1ogc s HIS 4 N -2.61 2.47 0.00 -1.35 3.76 -1.26 -5.10 115.29 111.21 1ogc s HIS 4 Ca -0.08 -0.61 0.00 0.00 -0.15 0.00 0.00 55.06 54.22 1ogc s HIS 4 Cb 0.05 -1.63 0.00 0.00 1.11 0.00 0.00 32.58 32.11 1ogc s HIS 4 CO 0.93 0.50 0.00 0.41 -0.85 0.00 0.00 174.74 175.73 1ogc n GLY 5 N -0.90 -2.77 3.78 -2.22 0.00 -1.26 -4.93 105.19 96.88 1ogc n GLY 5 Ca -0.05 -1.74 -0.41 0.00 0.00 0.00 0.00 46.02 43.82 1ogc n GLY 5 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1ogc s ILE 6 N -0.72 2.18 0.18 -0.61 2.07 -1.26 -4.93 121.20 118.11 1ogc s ILE 6 Ca 0.00 0.18 -0.05 0.00 -1.41 0.00 0.00 60.65 59.36 1ogc s ILE 6 Cb 0.00 -3.11 -0.04 0.00 0.13 0.00 0.00 42.46 39.44 1ogc s ILE 6 CO 0.00 0.04 1.52 0.25 -1.91 0.00 0.00 174.94 174.84 1ogc h LEU 7 N 3.11 0.75 -9.33 8.50 5.85 -1.99 -3.45 115.31 118.75 1ogc h LEU 7 Ca -0.50 -0.36 -0.54 0.00 0.84 0.00 0.00 57.88 57.31 1ogc h LEU 7 Cb 1.24 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 42.06 1ogc h LEU 7 CO 0.65 1.09 1.07 0.21 -0.34 0.00 0.00 178.44 181.12 1ogc s ASN 8 N -6.88 6.63 0.20 1.25 3.84 -1.26 -4.92 114.94 113.80 1ogc s ASN 8 Ca -0.09 2.35 -0.10 0.00 0.21 0.00 0.00 52.86 55.24 1ogc s ASN 8 Cb 0.11 -2.54 0.15 0.00 -0.55 0.00 0.00 41.25 38.42 1ogc s ASN 8 CO 0.85 -0.92 1.83 0.77 -2.79 0.00 0.00 177.10 176.84 1ogc h SER 9 N 9.27 0.92 -0.30 -4.21 4.64 -2.00 -1.18 113.55 120.69 1ogc h SER 9 Ca -0.41 -0.08 -0.02 0.00 -0.47 0.00 0.00 61.79 60.80 1ogc h SER 9 Cb 1.19 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 63.04 1ogc h SER 9 CO 0.94 0.73 0.10 0.45 -0.87 0.00 0.00 176.83 178.18 1ogc h HIS 10 N 1.03 0.47 -0.33 4.77 3.86 -1.98 -2.88 115.15 120.08 1ogc h HIS 10 Ca 0.27 -0.05 -0.08 0.00 -1.16 0.00 0.00 60.37 59.35 1ogc h HIS 10 Cb 0.00 -0.14 -0.02 0.00 1.06 0.00 0.00 27.41 28.32 1ogc h HIS 10 CO -0.00 0.49 -0.12 -0.07 0.86 0.00 0.00 177.93 179.08 1ogc h LEU 11 N 0.32 0.56 -0.86 2.43 3.38 -1.93 -2.87 115.31 116.34 1ogc h LEU 11 Ca 0.10 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1ogc h LEU 11 Cb 0.23 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.79 1ogc h LEU 11 CO -0.00 0.71 0.55 0.00 0.09 0.00 0.00 178.44 179.79 1ogc h ALA 12 N 1.35 1.09 -0.28 1.53 0.00 -1.09 -0.29 119.26 121.57 1ogc h ALA 12 Ca 0.10 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 1ogc h ALA 12 Cb 0.52 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1ogc h ALA 12 CO 0.03 0.52 -0.13 0.87 0.00 0.00 0.00 179.25 180.54 1ogc h LYS 13 N 1.17 0.47 -0.07 0.00 1.57 -1.30 -0.38 116.57 118.04 1ogc h LYS 13 Ca 0.31 -0.13 -0.06 0.00 -1.87 0.00 0.00 60.65 58.90 1ogc h LYS 13 Cb -0.11 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.15 1ogc h LYS 13 CO -0.06 0.60 -0.18 0.82 -0.57 0.00 0.00 179.45 180.05 1ogc h ILE 14 N 0.44 1.43 -0.60 1.86 1.08 -1.28 -3.19 117.51 117.24 1ogc h ILE 14 Ca 0.08 -1.54 -0.03 0.00 -0.39 0.00 0.00 64.86 62.99 1ogc h ILE 14 Cb 0.49 2.26 -0.03 0.00 -3.07 0.00 0.00 36.82 36.47 1ogc h ILE 14 CO 0.03 0.43 0.26 -0.07 -0.69 0.00 0.00 178.15 178.11 1ogc h LEU 15 N -0.26 0.77 -1.38 1.44 3.38 -0.90 -2.62 115.31 115.73 1ogc h LEU 15 Ca -0.00 -0.09 0.09 0.00 0.09 0.00 0.00 57.88 57.97 1ogc h LEU 15 Cb 0.79 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 41.29 1ogc h LEU 15 CO 0.04 0.67 0.50 0.00 0.09 0.00 0.00 178.44 179.74 1ogc h ALA 16 N 1.45 1.77 -0.01 1.53 0.00 -1.07 -2.08 119.26 120.85 1ogc h ALA 16 Ca 0.21 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1ogc h ALA 16 Cb 0.12 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1ogc h ALA 16 CO -0.02 0.08 -0.24 -0.25 0.00 0.00 0.00 179.25 178.82 1ogc n ASP 17 N -4.49 0.96 -4.72 0.00 8.00 -1.00 -4.94 116.55 110.35 1ogc n ASP 17 Ca 0.12 -0.85 -0.42 0.00 0.71 0.00 0.00 54.79 54.35 1ogc n ASP 17 Cb 0.30 0.11 -0.03 0.00 -0.02 0.00 0.00 41.12 41.48 1ogc n ASP 17 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1ogc s LEU 18 N -2.49 4.37 0.39 0.64 1.43 -0.78 -5.02 118.68 117.22 1ogc s LEU 18 Ca 0.25 2.82 0.07 0.00 -1.03 0.00 0.00 54.13 56.24 1ogc s LEU 18 Cb 0.19 -3.60 -0.08 0.00 0.03 0.00 0.00 46.19 42.73 1ogc s LEU 18 CO 0.51 -0.93 0.00 -0.83 0.23 0.00 0.00 176.35 175.33 1ogc s GLY 19 N 1.10 2.43 -0.04 -3.19 0.00 -1.26 -5.04 107.32 101.31 1ogc s GLY 19 Ca 0.73 -2.26 -0.36 0.00 0.00 0.00 0.00 44.72 42.83 1ogc s GLY 19 CO 0.33 -2.06 1.69 1.57 0.00 0.00 0.00 173.10 174.63 1ogc n HIS 20 N -0.92 2.12 -0.45 1.90 -0.00 -1.26 -1.67 115.22 114.94 1ogc n HIS 20 Ca -0.05 0.29 0.00 0.00 0.46 0.00 0.00 57.72 58.42 1ogc n HIS 20 Cb 0.67 -2.54 0.00 0.00 -0.12 0.00 0.00 29.99 28.00 1ogc n HIS 20 CO 0.00 0.00 0.00 0.25 0.46 0.00 0.00 176.34 177.05 1ogc n THR 21 N 4.18 0.00 -2.03 3.57 -2.24 -0.38 -5.00 114.28 112.38 1ogc n THR 21 Ca 0.21 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.63 1ogc n THR 21 Cb 0.24 0.00 0.03 0.00 -2.10 0.00 0.00 70.33 68.49 1ogc n THR 21 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1ogc s ASP 22 N -3.18 5.40 0.07 3.42 1.01 -0.67 -4.56 116.67 118.15 1ogc s ASP 22 Ca 0.00 2.43 0.10 0.00 0.71 0.00 0.00 52.55 55.78 1ogc s ASP 22 Cb 0.00 -2.60 -0.03 0.00 1.01 0.00 0.00 42.92 41.29 1ogc s ASP 22 CO 0.00 -1.46 -0.26 -0.54 0.21 0.00 0.00 175.17 173.12 1ogc s LYS 23 N -3.15 1.66 0.09 8.23 1.02 -1.26 -0.69 119.74 125.64 1ogc s LYS 23 Ca 0.74 -1.15 0.04 0.00 0.02 0.00 0.00 55.97 55.62 1ogc s LYS 23 Cb -0.31 -1.91 -0.03 0.00 -0.52 0.00 0.00 37.83 35.05 1ogc s LYS 23 CO 0.35 0.48 -0.12 0.96 -0.92 0.00 0.00 175.35 176.11 1ogc s ILE 24 N -0.87 1.03 -0.05 2.17 -4.36 -0.79 -0.06 121.20 118.26 1ogc s ILE 24 Ca 0.12 -1.55 0.05 0.00 -0.26 0.00 0.00 60.65 59.01 1ogc s ILE 24 Cb -0.10 -1.28 -0.02 0.00 1.25 0.00 0.00 42.46 42.31 1ogc s ILE 24 CO 0.03 -0.45 -0.20 -0.69 0.24 0.00 0.00 174.94 173.88 1ogc s VAL 25 N -2.06 2.55 -0.18 8.37 1.01 -0.23 -1.08 120.40 128.78 1ogc s VAL 25 Ca 0.03 -0.90 -0.04 0.00 0.00 0.00 0.00 61.98 61.08 1ogc s VAL 25 Cb -0.05 -1.97 -0.02 0.00 0.00 0.00 0.00 36.38 34.34 1ogc s VAL 25 CO 0.01 0.58 -0.04 -0.63 0.00 0.00 0.00 175.10 175.02 1ogc s ILE 26 N -0.43 3.75 0.12 2.22 1.01 -0.59 0.62 121.20 127.90 1ogc s ILE 26 Ca 0.04 -0.40 0.04 0.00 0.00 0.00 0.00 60.65 60.34 1ogc s ILE 26 Cb -0.12 -2.66 -0.04 0.00 0.01 0.00 0.00 42.46 39.65 1ogc s ILE 26 CO 0.02 0.46 -0.11 0.00 0.00 0.00 0.00 174.94 175.31 1ogc s ALA 27 N 0.73 1.29 1.08 9.38 0.00 0.48 -1.75 121.76 132.97 1ogc s ALA 27 Ca -0.02 -1.30 -0.18 0.00 0.00 0.00 0.00 51.96 50.46 1ogc s ALA 27 Cb -0.14 0.02 0.25 0.00 0.00 0.00 0.00 23.12 23.24 1ogc s ALA 27 CO 0.02 -0.03 1.27 0.16 0.00 0.00 0.00 175.76 177.18 1ogc s ASP 28 N -2.68 2.08 0.17 0.00 3.84 -1.01 -0.96 116.67 118.10 1ogc s ASP 28 Ca 0.10 0.29 0.19 0.00 -0.00 0.00 0.00 52.55 53.12 1ogc s ASP 28 Cb -0.01 -0.31 0.82 0.00 -1.38 0.00 0.00 42.92 42.04 1ogc s ASP 28 CO 0.01 -3.38 1.58 0.00 -0.00 0.00 0.00 175.17 173.38 1ogc n ALA 29 N -4.20 1.55 -0.00 2.11 0.00 -0.58 -3.59 120.51 115.80 1ogc n ALA 29 Ca 0.16 0.05 0.09 0.00 0.00 0.00 0.00 53.44 53.75 1ogc n ALA 29 Cb 0.59 -1.31 -0.15 0.00 0.00 0.00 0.00 19.45 18.59 1ogc n ALA 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ogc n GLY 30 N -0.24 -0.86 3.66 0.00 0.00 -1.26 -5.00 105.19 101.48 1ogc n GLY 30 Ca 0.02 -0.45 -0.46 0.00 0.00 0.00 0.00 46.02 45.13 1ogc n GLY 30 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1ogc n LEU 31 N -2.15 2.89 -4.78 0.99 7.94 -1.24 -4.95 117.00 115.71 1ogc n LEU 31 Ca -0.03 1.12 -0.37 0.00 -1.11 0.00 0.00 56.01 55.61 1ogc n LEU 31 Cb 0.49 -1.40 -0.06 0.00 0.53 0.00 0.00 43.42 42.98 1ogc n LEU 31 CO 0.40 -0.51 0.67 -2.16 -1.11 0.00 0.00 177.39 174.68 1ogc s PRO 32 N 0.15 4.54 -0.25 1.96 0.04 -1.26 -5.00 135.00 135.18 1ogc s PRO 32 Ca 0.74 1.39 -0.10 0.00 0.04 0.00 0.00 61.00 63.08 1ogc s PRO 32 Cb -0.70 -2.81 -0.04 0.00 0.04 0.00 0.00 34.50 30.99 1ogc s PRO 32 CO 0.45 0.22 0.14 0.08 0.04 0.00 0.00 177.00 177.93 1ogc s VAL 33 N -1.57 4.99 0.60 -0.36 1.01 -1.26 -5.07 120.40 118.74 1ogc s VAL 33 Ca 0.50 0.06 -0.19 0.00 0.00 0.00 0.00 61.98 62.35 1ogc s VAL 33 Cb -0.20 -3.35 -0.03 0.00 0.00 0.00 0.00 36.38 32.80 1ogc s VAL 33 CO 0.26 0.31 1.19 -2.65 0.00 0.00 0.00 175.10 174.21 1ogc n PRO 34 N 4.71 1.17 -1.86 2.72 -0.02 -1.26 -4.90 135.00 135.56 1ogc n PRO 34 Ca -0.15 0.45 -0.42 0.00 -2.02 0.00 0.00 63.50 61.36 1ogc n PRO 34 Cb 0.52 -2.40 -0.02 0.00 -0.02 0.00 0.00 33.50 31.57 1ogc n PRO 34 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1ogc s ASP 35 N -1.21 6.49 0.00 2.55 -0.00 -1.26 -2.33 116.67 120.91 1ogc s ASP 35 Ca 0.77 2.80 0.00 0.00 -0.00 0.00 0.00 52.55 56.12 1ogc s ASP 35 Cb -0.41 -2.62 0.00 0.00 -0.00 0.00 0.00 42.92 39.90 1ogc s ASP 35 CO 0.45 -0.85 0.00 0.61 -0.00 0.00 0.00 175.17 175.38 1ogc n GLY 36 N 2.75 0.68 3.71 0.21 0.00 -1.26 -5.05 105.19 106.23 1ogc n GLY 36 Ca 0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 1ogc n GLY 36 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ogc s VAL 37 N -2.34 5.12 0.24 1.61 1.01 -0.98 -5.06 120.40 120.00 1ogc s VAL 37 Ca 0.00 0.08 -0.30 0.00 0.00 0.00 0.00 61.98 61.76 1ogc s VAL 37 Cb 0.00 -3.30 -0.10 0.00 0.00 0.00 0.00 36.38 32.98 1ogc s VAL 37 CO 0.00 0.49 1.49 -0.22 0.00 0.00 0.00 175.10 176.86 1ogc s LEU 38 N 0.07 4.38 -0.19 3.92 2.96 -1.26 -4.87 118.68 123.69 1ogc s LEU 38 Ca 0.07 2.71 -0.01 0.00 -0.22 0.00 0.00 54.13 56.68 1ogc s LEU 38 Cb -0.12 -3.62 0.00 0.00 0.50 0.00 0.00 46.19 42.96 1ogc s LEU 38 CO -0.00 -0.76 -0.12 -0.75 -1.32 0.00 0.00 176.35 173.40 1ogc s LYS 39 N -0.12 3.21 -0.27 1.98 2.20 -1.26 -0.80 119.74 124.69 1ogc s LYS 39 Ca 0.62 -0.72 -0.02 0.00 -0.36 0.00 0.00 55.97 55.48 1ogc s LYS 39 Cb -0.43 -2.77 0.03 0.00 -1.51 0.00 0.00 37.83 33.15 1ogc s LYS 39 CO 0.42 -0.15 -0.02 0.42 -0.36 0.00 0.00 175.35 175.66 1ogc s ILE 40 N 1.24 3.07 -0.38 5.43 1.01 -0.32 -4.98 121.20 126.28 1ogc s ILE 40 Ca 0.03 -1.05 -0.13 0.00 0.00 0.00 0.00 60.65 59.50 1ogc s ILE 40 Cb -0.14 -2.61 0.02 0.00 0.01 0.00 0.00 42.46 39.73 1ogc s ILE 40 CO -0.06 0.11 0.24 -0.62 0.00 0.00 0.00 174.94 174.62 1ogc s ASP 41 N 1.34 5.91 0.00 3.58 3.68 -1.26 -0.68 116.67 129.24 1ogc s ASP 41 Ca -0.01 -0.84 0.22 0.00 2.13 0.00 0.00 52.55 54.06 1ogc s ASP 41 Cb -0.17 -2.09 0.01 0.00 -1.45 0.00 0.00 42.92 39.21 1ogc s ASP 41 CO -0.03 -0.37 1.07 0.18 0.13 0.00 0.00 175.17 176.15 1ogc n LEU 42 N 5.08 1.01 -4.64 -1.34 4.77 -0.28 -4.96 117.00 116.64 1ogc n LEU 42 Ca -0.12 -0.40 -0.40 0.00 -0.03 0.00 0.00 56.01 55.06 1ogc n LEU 42 Cb 0.47 -0.06 0.03 0.00 -2.33 0.00 0.00 43.42 41.52 1ogc n LEU 42 CO 0.38 0.23 0.66 -1.54 -1.33 0.00 0.00 177.39 175.80 1ogc n SER 43 N -1.28 1.48 0.00 -1.43 3.41 -1.17 -4.36 113.62 110.26 1ogc n SER 43 Ca 0.05 0.98 0.00 0.00 -0.26 0.00 0.00 58.87 59.64 1ogc n SER 43 Cb 0.35 -1.41 0.00 0.00 -0.26 0.00 0.00 64.21 62.89 1ogc n SER 43 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1ogc n LEU 44 N -0.02 1.95 -3.65 1.04 7.94 0.11 -4.91 117.00 119.46 1ogc n LEU 44 Ca 0.10 0.00 -0.07 0.00 -1.11 0.00 0.00 56.01 54.93 1ogc n LEU 44 Cb 0.42 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 44.35 1ogc n LEU 44 CO 0.55 0.31 0.63 -1.59 -1.11 0.00 0.00 177.39 176.18 1ogc s LYS 45 N -1.94 1.20 -0.15 1.96 -2.85 -1.10 -5.04 119.74 111.82 1ogc s LYS 45 Ca 0.00 -0.59 -0.40 0.00 -1.00 0.00 0.00 55.97 53.99 1ogc s LYS 45 Cb 0.00 0.46 -0.17 0.00 -2.06 0.00 0.00 37.83 36.06 1ogc s LYS 45 CO 0.00 -0.54 1.53 -2.30 0.10 0.00 0.00 175.35 174.15 1ogc n PRO 46 N -0.39 0.95 -0.28 1.78 -0.02 -1.26 -0.54 135.00 135.23 1ogc n PRO 46 Ca -0.08 0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.75 1ogc n PRO 46 Cb 0.61 -1.98 0.00 0.00 -0.02 0.00 0.00 33.50 32.11 1ogc n PRO 46 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ogc n GLY 47 N 3.37 1.40 2.81 -1.23 0.00 0.24 -4.99 105.19 106.79 1ogc n GLY 47 Ca 0.24 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.99 1ogc n GLY 47 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ogc s LEU 48 N 0.00 1.23 0.55 0.99 1.43 0.30 -2.95 118.68 120.23 1ogc s LEU 48 Ca 0.00 -0.59 -0.07 0.00 -1.03 0.00 0.00 54.13 52.44 1ogc s LEU 48 Cb 0.00 -0.69 -0.03 0.00 0.03 0.00 0.00 46.19 45.50 1ogc s LEU 48 CO 0.00 -0.23 0.89 -2.16 0.23 0.00 0.00 176.35 175.08 1ogc s PRO 49 N 1.79 3.47 0.53 1.29 0.04 -1.26 0.10 135.00 140.96 1ogc s PRO 49 Ca 0.01 0.37 -0.10 0.00 0.04 0.00 0.00 61.00 61.32 1ogc s PRO 49 Cb -0.15 -2.25 -0.05 0.00 0.04 0.00 0.00 34.50 32.08 1ogc s PRO 49 CO -0.07 -0.40 0.92 0.00 0.04 0.00 0.00 177.00 177.48 1ogc s ALA 50 N -2.93 3.21 0.16 8.56 0.00 -1.15 -0.90 121.76 128.71 1ogc s ALA 50 Ca 0.51 -0.17 -0.16 0.00 0.00 0.00 0.00 51.96 52.14 1ogc s ALA 50 Cb -0.11 -2.90 0.10 0.00 0.00 0.00 0.00 23.12 20.22 1ogc s ALA 50 CO 0.48 -0.42 1.72 0.35 0.00 0.00 0.00 175.76 177.89 1ogc h PHE 51 N 0.27 0.10 -0.44 0.00 3.57 -1.94 -2.06 116.94 116.44 1ogc h PHE 51 Ca -0.46 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.11 1ogc h PHE 51 Cb 1.19 0.01 -0.04 0.00 2.79 0.00 0.00 35.95 39.91 1ogc h PHE 51 CO 0.63 -0.00 0.21 1.96 -2.23 0.00 0.00 178.31 178.87 1ogc h GLN 52 N 0.19 0.41 -0.26 1.11 4.20 -1.98 -0.55 115.11 118.22 1ogc h GLN 52 Ca 0.19 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.87 1ogc h GLN 52 Cb 0.23 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.91 1ogc h GLN 52 CO -0.26 0.27 0.13 -0.44 -0.67 0.00 0.00 178.83 177.86 1ogc h ASP 53 N 0.42 0.34 -0.26 1.46 5.19 -1.87 -1.56 116.42 120.13 1ogc h ASP 53 Ca 0.19 -0.11 -0.01 0.00 -0.62 0.00 0.00 57.03 56.49 1ogc h ASP 53 Cb 0.12 -0.09 -0.01 0.00 0.18 0.00 0.00 39.33 39.53 1ogc h ASP 53 CO -0.15 0.35 0.11 0.74 -3.12 0.00 0.00 179.24 177.17 1ogc h THR 54 N 0.30 1.16 -0.51 0.35 2.02 -1.15 -2.39 112.91 112.69 1ogc h THR 54 Ca 0.09 -0.48 -0.02 0.00 0.77 0.00 0.00 66.41 66.77 1ogc h THR 54 Cb 0.09 1.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.48 1ogc h THR 54 CO -0.01 0.16 0.22 0.00 0.37 0.00 0.00 175.52 176.26 1ogc h ALA 55 N 0.96 1.43 -0.29 6.16 0.00 -1.05 -2.22 119.26 124.26 1ogc h ALA 55 Ca 0.09 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1ogc h ALA 55 Cb 0.15 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1ogc h ALA 55 CO -0.01 0.44 0.03 0.00 0.00 0.00 0.00 179.25 179.72 1ogc h ALA 56 N 1.53 0.38 -0.36 0.00 0.00 -1.06 -1.58 119.26 118.16 1ogc h ALA 56 Ca 0.18 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1ogc h ALA 56 Cb 0.12 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1ogc h ALA 56 CO -0.02 0.08 0.18 0.28 0.00 0.00 0.00 179.25 179.77 1ogc h VAL 57 N 0.29 1.16 -0.78 0.00 2.07 -1.18 -2.71 116.25 115.10 1ogc h VAL 57 Ca 0.09 -0.45 -0.05 0.00 0.82 0.00 0.00 66.70 67.10 1ogc h VAL 57 Cb 0.36 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 1ogc h VAL 57 CO 0.01 0.17 0.30 -0.07 0.02 0.00 0.00 177.57 177.99 1ogc h LEU 58 N 0.45 1.08 -1.64 2.57 -0.00 -1.37 -2.24 115.31 114.16 1ogc h LEU 58 Ca 0.13 -0.17 -0.03 0.00 -0.00 0.00 0.00 57.88 57.81 1ogc h LEU 58 Cb 0.11 -0.28 -0.01 0.00 -0.00 0.00 0.00 40.66 40.48 1ogc h LEU 58 CO -0.02 0.96 -0.05 0.00 -0.00 0.00 0.00 178.44 179.34 1ogc h ALA 59 N 1.19 1.71 0.00 1.53 0.00 -1.14 0.72 119.26 123.27 1ogc h ALA 59 Ca 0.26 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.95 1ogc h ALA 59 Cb 0.23 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1ogc h ALA 59 CO -0.02 0.22 -0.47 1.49 0.00 0.00 0.00 179.25 180.47 1ogc h GLU 60 N 0.17 0.00 -0.00 0.00 4.57 -1.14 -3.35 114.58 114.83 1ogc h GLU 60 Ca 0.04 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.22 1ogc h GLU 60 Cb 0.20 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.79 1ogc h GLU 60 CO 0.01 0.47 -0.62 0.39 -1.18 0.00 0.00 179.01 178.07 1ogc n GLU 61 N -3.22 1.93 -4.46 1.92 -0.58 -0.78 -4.98 120.64 110.47 1ogc n GLU 61 Ca 0.02 -0.19 -0.20 0.00 -0.42 0.00 0.00 57.16 56.37 1ogc n GLU 61 Cb 0.72 -1.23 -0.15 0.00 -0.57 0.00 0.00 31.44 30.21 1ogc n GLU 61 CO 0.00 0.00 0.00 1.41 -0.48 0.00 0.00 177.13 178.06 1ogc s MET 62 N -2.30 0.89 -0.41 3.49 1.75 0.18 -4.95 119.30 117.95 1ogc s MET 62 Ca 0.07 -0.43 -0.27 0.00 -1.25 0.00 0.00 55.69 53.81 1ogc s MET 62 Cb 0.12 -0.86 0.02 0.00 2.84 0.00 0.00 34.83 36.95 1ogc s MET 62 CO 0.57 0.23 0.99 0.00 -0.65 0.00 0.00 175.02 176.16 1ogc s ALA 63 N -0.33 3.32 -0.21 4.11 0.00 -1.26 -4.68 121.76 122.71 1ogc s ALA 63 Ca 0.04 -0.50 -0.06 0.00 0.00 0.00 0.00 51.96 51.43 1ogc s ALA 63 Cb -0.05 -3.65 -0.03 0.00 0.00 0.00 0.00 23.12 19.39 1ogc s ALA 63 CO -0.00 -1.85 0.04 0.08 0.00 0.00 0.00 175.76 174.02 1ogc s VAL 64 N 3.77 4.28 -0.25 0.00 1.01 -1.26 0.87 120.40 128.83 1ogc s VAL 64 Ca 0.41 -0.20 0.22 0.00 0.00 0.00 0.00 61.98 62.41 1ogc s VAL 64 Cb -0.10 -2.95 -0.31 0.00 0.00 0.00 0.00 36.38 33.02 1ogc s VAL 64 CO 0.23 0.41 0.59 -1.84 0.00 0.00 0.00 175.10 174.49 1ogc n GLU 65 N 4.20 0.52 -3.59 2.72 0.28 -0.40 -4.74 120.64 119.63 1ogc n GLU 65 Ca -0.17 -0.15 -0.16 0.00 -0.16 0.00 0.00 57.16 56.52 1ogc n GLU 65 Cb 0.52 -1.52 -0.07 0.00 1.43 0.00 0.00 31.44 31.80 1ogc n GLU 65 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 177.13 177.18 1ogc s LYS 66 N -3.40 0.93 -0.03 3.44 2.20 -1.20 -3.72 119.74 117.95 1ogc s LYS 66 Ca -0.04 0.40 0.06 0.00 -0.36 0.00 0.00 55.97 56.02 1ogc s LYS 66 Cb 0.14 0.44 -0.01 0.00 -1.51 0.00 0.00 37.83 36.89 1ogc s LYS 66 CO 0.90 -0.24 -0.20 0.08 -0.36 0.00 0.00 175.35 175.53 1ogc s VAL 67 N -0.75 1.62 -0.04 4.02 1.01 -0.06 -1.32 120.40 124.88 1ogc s VAL 67 Ca -0.08 -0.85 0.05 0.00 0.00 0.00 0.00 61.98 61.11 1ogc s VAL 67 Cb -0.02 -1.36 -0.01 0.00 0.00 0.00 0.00 36.38 34.99 1ogc s VAL 67 CO 0.07 0.46 -0.20 -0.63 0.00 0.00 0.00 175.10 174.79 1ogc s ILE 68 N -0.23 1.66 0.12 2.22 1.01 -0.39 -1.27 121.20 124.31 1ogc s ILE 68 Ca 0.02 -0.85 -0.08 0.00 0.00 0.00 0.00 60.65 59.73 1ogc s ILE 68 Cb -0.10 -1.41 -0.01 0.00 0.01 0.00 0.00 42.46 40.95 1ogc s ILE 68 CO 0.01 0.47 0.22 0.00 0.00 0.00 0.00 174.94 175.64 1ogc s ALA 69 N -0.12 -0.09 0.04 9.38 0.00 -0.61 -0.63 121.76 129.74 1ogc s ALA 69 Ca -0.02 -0.76 -0.27 0.00 0.00 0.00 0.00 51.96 50.91 1ogc s ALA 69 Cb -0.12 0.64 -0.05 0.00 0.00 0.00 0.00 23.12 23.59 1ogc s ALA 69 CO 0.02 -0.56 0.86 0.00 0.00 0.00 0.00 175.76 176.09 1ogc s ALA 70 N -3.91 3.28 0.40 0.00 0.00 -1.26 -1.47 121.76 118.81 1ogc s ALA 70 Ca 0.10 0.41 0.17 0.00 0.00 0.00 0.00 51.96 52.64 1ogc s ALA 70 Cb 0.04 -3.15 1.07 0.00 0.00 0.00 0.00 23.12 21.08 1ogc s ALA 70 CO -0.06 -0.04 1.82 0.00 0.00 0.00 0.00 175.76 177.48 1ogc h ALA 71 N 5.98 2.19 -0.12 0.00 0.00 -0.21 -0.47 119.26 126.63 1ogc h ALA 71 Ca -0.43 0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.55 1ogc h ALA 71 Cb 1.21 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 1ogc h ALA 71 CO 0.72 -0.52 0.34 0.93 0.00 0.00 0.00 179.25 180.73 1ogc h GLU 72 N 0.43 0.00 -0.24 0.00 3.07 -1.92 -1.72 114.58 114.19 1ogc h GLU 72 Ca 0.52 0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 59.31 1ogc h GLU 72 Cb 1.27 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.17 1ogc h GLU 72 CO -0.23 0.00 -0.13 0.97 -1.40 0.00 0.00 179.01 178.22 1ogc h ILE 73 N 0.00 1.22 0.00 3.13 2.10 -1.34 -2.09 117.51 120.52 1ogc h ILE 73 Ca 0.06 -0.97 -0.02 0.00 1.08 0.00 0.00 64.86 65.01 1ogc h ILE 73 Cb 0.74 1.18 -0.00 0.00 -1.09 0.00 0.00 36.82 37.65 1ogc h ILE 73 CO -0.00 0.31 -0.11 0.11 -1.08 0.00 0.00 178.15 177.38 1ogc h LYS 74 N 0.38 0.00 0.03 2.19 1.57 -1.51 -1.31 116.57 117.91 1ogc h LYS 74 Ca 0.07 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.54 1ogc h LYS 74 Cb 0.47 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.74 1ogc h LYS 74 CO 0.03 0.11 -1.71 0.00 -0.57 0.00 0.00 179.45 177.30 1ogc n ALA 75 N -2.22 0.92 0.11 3.86 0.00 -0.92 -4.36 120.51 117.89 1ogc n ALA 75 Ca -0.01 -0.65 0.11 0.00 0.00 0.00 0.00 53.44 52.89 1ogc n ALA 75 Cb 0.27 -0.44 0.23 0.00 0.00 0.00 0.00 19.45 19.52 1ogc n ALA 75 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1ogc n SER 76 N -4.14 3.49 -2.72 0.00 7.64 -0.83 -4.65 113.62 112.41 1ogc n SER 76 Ca -0.37 -1.97 -0.08 0.00 1.01 0.00 0.00 58.87 57.46 1ogc n SER 76 Cb 0.81 -0.30 0.09 0.00 -1.01 0.00 0.00 64.21 63.81 1ogc n SER 76 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1ogc n ASN 77 N 1.43 -2.15 -0.27 6.43 4.05 -0.50 -4.70 115.26 119.56 1ogc n ASN 77 Ca 0.20 -3.35 0.09 0.00 0.45 0.00 0.00 54.58 51.97 1ogc n ASN 77 Cb 0.59 1.76 0.34 0.00 1.23 0.00 0.00 39.78 43.69 1ogc n ASN 77 CO 0.00 0.00 0.00 -0.61 -3.05 0.00 0.00 177.26 173.60 1ogc h GLN 78 N 2.80 0.77 0.20 1.20 5.75 -1.75 -2.19 115.11 121.89 1ogc h GLN 78 Ca -0.15 -0.05 0.01 0.00 -0.15 0.00 0.00 58.65 58.32 1ogc h GLN 78 Cb 1.13 -0.17 -0.04 0.00 1.07 0.00 0.00 27.48 29.47 1ogc h GLN 78 CO 0.09 0.51 -0.39 0.93 -2.65 0.00 0.00 178.83 177.33 1ogc h GLU 79 N 0.79 -0.65 0.00 1.69 4.39 -1.95 -0.52 114.58 118.33 1ogc h GLU 79 Ca 0.43 0.04 -0.06 0.00 0.34 0.00 0.00 59.36 60.11 1ogc h GLU 79 Cb 0.54 0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 29.33 1ogc h GLU 79 CO -0.19 -0.43 -0.31 -0.91 -1.16 0.00 0.00 179.01 176.01 1ogc h ASN 80 N -0.67 0.00 -0.59 1.42 2.35 -1.88 -2.43 115.58 113.78 1ogc h ASN 80 Ca 0.01 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.68 1ogc h ASN 80 Cb 0.67 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.02 1ogc h ASN 80 CO -0.18 0.31 0.07 0.00 -1.65 0.00 0.00 177.43 175.98 1ogc h ALA 81 N 1.69 0.78 -0.20 -0.83 0.00 -0.81 -1.69 119.26 118.20 1ogc h ALA 81 Ca -0.00 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.57 1ogc h ALA 81 Cb 0.67 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 1ogc h ALA 81 CO 0.04 0.55 -0.13 0.87 0.00 0.00 0.00 179.25 180.58 1ogc h LYS 82 N 0.88 0.44 -0.63 0.00 1.57 -0.87 -2.35 116.57 115.61 1ogc h LYS 82 Ca 0.17 -0.21 0.11 0.00 -1.87 0.00 0.00 60.65 58.86 1ogc h LYS 82 Cb 0.45 -0.01 -0.08 0.00 0.08 0.00 0.00 32.23 32.68 1ogc h LYS 82 CO 0.02 0.75 0.21 0.35 -0.57 0.00 0.00 179.45 180.21 1ogc h PHE 83 N 0.12 0.36 -0.38 -1.35 3.57 -1.34 0.11 116.94 118.04 1ogc h PHE 83 Ca 0.04 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.56 1ogc h PHE 83 Cb 0.64 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.29 1ogc h PHE 83 CO 0.07 0.06 0.18 1.25 -2.23 0.00 0.00 178.31 177.64 1ogc h LEU 84 N 0.37 0.50 -1.03 0.59 5.85 -1.24 0.27 115.31 120.62 1ogc h LEU 84 Ca 0.33 -0.13 -0.06 0.00 0.84 0.00 0.00 57.88 58.86 1ogc h LEU 84 Cb 0.45 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 1ogc h LEU 84 CO -0.35 0.48 0.08 -0.33 -0.34 0.00 0.00 178.44 177.98 1ogc h GLU 85 N 0.47 0.78 0.04 1.25 4.39 -0.79 -2.01 114.58 118.71 1ogc h GLU 85 Ca 0.13 -0.17 -0.00 0.00 0.34 0.00 0.00 59.36 59.66 1ogc h GLU 85 Cb 0.12 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 28.66 1ogc h GLU 85 CO -0.02 0.73 -0.02 -0.91 -1.16 0.00 0.00 179.01 177.64 1ogc h ASN 86 N 0.74 -0.04 -0.81 1.42 -0.26 -0.49 -2.91 115.58 113.23 1ogc h ASN 86 Ca 0.16 -0.61 0.09 0.00 -0.56 0.00 0.00 56.30 55.38 1ogc h ASN 86 Cb 0.34 0.01 -0.07 0.00 -1.06 0.00 0.00 38.32 37.54 1ogc h ASN 86 CO 0.01 0.62 0.46 0.25 -1.06 0.00 0.00 177.43 177.71 1ogc h LEU 87 N -0.73 0.68 -4.44 1.61 5.85 -0.43 -2.81 115.31 115.04 1ogc h LEU 87 Ca -0.00 0.04 -0.66 0.00 0.84 0.00 0.00 57.88 58.10 1ogc h LEU 87 Cb 0.65 -0.09 -0.35 0.00 0.37 0.00 0.00 40.66 41.24 1ogc h LEU 87 CO 0.01 0.40 0.17 0.49 -0.34 0.00 0.00 178.44 179.16 1ogc n PHE 88 N -4.73 3.12 -0.05 1.25 3.01 -0.76 -4.77 117.46 114.53 1ogc n PHE 88 Ca 0.13 -2.68 0.08 0.00 1.01 0.00 0.00 57.45 55.99 1ogc n PHE 88 Cb 0.25 -0.77 0.46 0.00 -0.01 0.00 0.00 39.48 39.41 1ogc n PHE 88 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1ogc h SER 89 N 2.53 0.43 1.51 4.37 4.64 -1.28 -2.09 113.55 123.66 1ogc h SER 89 Ca 0.46 -0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.69 1ogc h SER 89 Cb 0.71 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.70 1ogc h SER 89 CO 1.18 0.28 -0.49 -0.33 -0.87 0.00 0.00 176.83 176.60 1ogc h GLU 90 N 0.49 0.00 -6.91 4.77 5.08 -1.88 -3.47 114.58 112.66 1ogc h GLU 90 Ca 0.22 0.00 -0.49 0.00 -1.00 0.00 0.00 59.36 58.10 1ogc h GLU 90 Cb 0.26 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.55 1ogc h GLU 90 CO -0.06 0.43 0.09 -0.65 -1.00 0.00 0.00 179.01 177.81 1ogc s GLN 91 N -2.99 3.45 -0.07 2.33 1.11 -0.79 -5.04 119.66 117.67 1ogc s GLN 91 Ca 0.04 0.11 -0.30 0.00 0.01 0.00 0.00 55.36 55.23 1ogc s GLN 91 Cb 0.07 -2.39 -0.02 0.00 -1.01 0.00 0.00 33.01 29.66 1ogc s GLN 91 CO 0.74 -0.24 1.07 -2.00 0.01 0.00 0.00 175.29 174.87 1ogc s GLU 92 N -4.73 4.43 -0.21 2.91 2.12 -1.24 -4.92 118.70 117.05 1ogc s GLU 92 Ca 0.48 1.49 -0.02 0.00 0.36 0.00 0.00 54.97 57.28 1ogc s GLU 92 Cb -0.10 -3.52 0.01 0.00 0.26 0.00 0.00 34.13 30.78 1ogc s GLU 92 CO 0.44 -0.31 -0.10 0.42 -0.54 0.00 0.00 175.26 175.17 1ogc s ILE 93 N 1.85 2.79 -0.09 -3.70 1.01 -1.26 -0.88 121.20 120.92 1ogc s ILE 93 Ca 0.52 -0.78 0.01 0.00 0.00 0.00 0.00 60.65 60.40 1ogc s ILE 93 Cb -0.21 -2.28 -0.02 0.00 0.01 0.00 0.00 42.46 39.96 1ogc s ILE 93 CO 0.21 0.41 -0.13 -0.70 0.00 0.00 0.00 174.94 174.73 1ogc s GLU 94 N 1.37 2.95 -0.16 2.79 2.12 -0.40 -5.00 118.70 122.37 1ogc s GLU 94 Ca 0.04 -0.67 -0.05 0.00 0.36 0.00 0.00 54.97 54.65 1ogc s GLU 94 Cb -0.14 -2.53 -0.03 0.00 0.26 0.00 0.00 34.13 31.69 1ogc s GLU 94 CO -0.07 0.44 0.01 0.71 -0.54 0.00 0.00 175.26 175.80 1ogc s TYR 95 N -0.23 3.13 0.34 5.30 1.51 -1.26 -1.58 117.35 124.57 1ogc s TYR 95 Ca 0.01 -0.10 0.04 0.00 -1.01 0.00 0.00 57.07 56.01 1ogc s TYR 95 Cb -0.13 -2.00 -0.06 0.00 -0.11 0.00 0.00 41.96 39.67 1ogc s TYR 95 CO 0.03 0.09 0.07 -0.51 -1.11 0.00 0.00 175.55 174.11 1ogc s LEU 96 N 0.26 2.15 0.57 -1.29 1.43 -0.54 -4.78 118.68 116.48 1ogc s LEU 96 Ca 0.00 -1.41 -0.18 0.00 -1.03 0.00 0.00 54.13 51.50 1ogc s LEU 96 Cb -0.13 -0.35 -0.04 0.00 0.03 0.00 0.00 46.19 45.70 1ogc s LEU 96 CO 0.02 -0.65 1.13 -0.94 0.23 0.00 0.00 176.35 176.13 1ogc s SER 97 N -3.50 5.55 0.41 2.29 1.04 -1.26 0.54 113.70 118.76 1ogc s SER 97 Ca 0.35 2.14 0.12 0.00 0.48 0.00 0.00 55.95 59.05 1ogc s SER 97 Cb 0.08 -2.57 0.96 0.00 0.10 0.00 0.00 66.02 64.58 1ogc s SER 97 CO 0.15 -1.34 1.94 -0.74 0.98 0.00 0.00 173.24 174.24 1ogc h HIS 98 N 0.90 0.56 -0.13 5.02 2.76 -1.93 -0.59 115.15 121.74 1ogc h HIS 98 Ca -0.49 0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 57.69 1ogc h HIS 98 Cb 1.26 -0.18 -0.01 0.00 1.55 0.00 0.00 27.41 30.03 1ogc h HIS 98 CO 0.52 0.25 0.07 0.93 -1.30 0.00 0.00 177.93 178.40 1ogc h GLU 99 N 0.51 0.18 -0.67 5.26 4.39 -2.00 -1.16 114.58 121.08 1ogc h GLU 99 Ca 0.34 -0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.98 1ogc h GLU 99 Cb 0.62 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 29.20 1ogc h GLU 99 CO -0.11 0.21 0.29 0.93 -1.16 0.00 0.00 179.01 179.16 1ogc h GLU 100 N 0.11 0.99 -0.17 2.33 4.39 -1.70 -2.66 114.58 117.87 1ogc h GLU 100 Ca 0.05 -0.17 0.05 0.00 0.34 0.00 0.00 59.36 59.63 1ogc h GLU 100 Cb 0.08 -0.17 -0.06 0.00 -0.10 0.00 0.00 28.75 28.50 1ogc h GLU 100 CO -0.01 0.81 -0.19 0.35 -1.16 0.00 0.00 179.01 178.82 1ogc h PHE 101 N 0.94 -0.49 -0.94 4.33 3.57 -0.83 -1.36 116.94 122.17 1ogc h PHE 101 Ca 0.23 0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.82 1ogc h PHE 101 Cb 0.18 0.24 -0.06 0.00 2.79 0.00 0.00 35.95 39.09 1ogc h PHE 101 CO 0.01 -0.26 0.61 0.87 -2.23 0.00 0.00 178.31 177.31 1ogc h LYS 102 N -0.22 1.03 -0.51 1.11 1.57 -1.01 -1.67 116.57 116.88 1ogc h LYS 102 Ca 0.11 -0.06 0.01 0.00 -1.87 0.00 0.00 60.65 58.84 1ogc h LYS 102 Cb 0.38 -0.23 -0.03 0.00 0.08 0.00 0.00 32.23 32.43 1ogc h LYS 102 CO -0.30 0.68 0.33 -0.07 -0.57 0.00 0.00 179.45 179.53 1ogc h LEU 103 N 1.06 0.57 -2.08 2.94 4.07 -0.98 -2.21 115.31 118.68 1ogc h LEU 103 Ca 0.41 -0.01 -0.02 0.00 0.08 0.00 0.00 57.88 58.34 1ogc h LEU 103 Cb 0.22 -0.14 -0.00 0.00 1.08 0.00 0.00 40.66 41.82 1ogc h LEU 103 CO -0.16 0.41 -0.08 -0.07 -1.08 0.00 0.00 178.44 177.46 1ogc h LEU 104 N 0.68 0.00 -1.18 1.67 3.38 -0.34 -2.43 115.31 117.09 1ogc h LEU 104 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1ogc h LEU 104 Cb -0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1ogc h LEU 104 CO -0.05 0.08 0.00 0.71 0.09 0.00 0.00 178.44 179.27 1ogc h THR 105 N 0.00 0.00 0.00 0.22 1.35 -0.98 -2.47 112.91 111.03 1ogc h THR 105 Ca -0.00 -0.20 -0.01 0.00 -0.55 0.00 0.00 66.41 65.65 1ogc h THR 105 Cb 0.20 0.92 -0.00 0.00 -1.73 0.00 0.00 68.15 67.54 1ogc h THR 105 CO 0.01 0.00 -0.07 0.11 -0.25 0.00 0.00 175.52 175.32 1ogc h LYS 106 N 0.00 0.00 -0.24 4.72 1.57 -1.53 -2.34 116.57 118.75 1ogc h LYS 106 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1ogc h LYS 106 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.57 1ogc h LYS 106 CO 0.00 0.07 0.00 -0.25 -0.57 0.00 0.00 179.45 178.70 1ogc n ASP 107 N -3.48 2.97 -4.79 0.86 8.00 -0.93 -4.93 116.55 114.25 1ogc n ASP 107 Ca -0.02 -1.93 -0.33 0.00 0.71 0.00 0.00 54.79 53.22 1ogc n ASP 107 Cb 0.20 -0.15 0.01 0.00 -0.02 0.00 0.00 41.12 41.17 1ogc n ASP 107 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ogc s ALA 108 N -1.71 2.70 -0.30 2.24 0.00 -0.88 -4.66 121.76 119.14 1ogc s ALA 108 Ca 0.35 0.49 0.19 0.00 0.00 0.00 0.00 51.96 52.99 1ogc s ALA 108 Cb 0.21 -3.26 0.20 0.00 0.00 0.00 0.00 23.12 20.26 1ogc s ALA 108 CO 0.31 -0.84 1.50 0.87 0.00 0.00 0.00 175.76 177.59 1ogc h LYS 109 N 0.56 0.00 -1.93 0.00 1.79 -0.81 -3.45 116.57 112.73 1ogc h LYS 109 Ca -0.47 0.00 0.17 0.00 -2.18 0.00 0.00 60.65 58.16 1ogc h LYS 109 Cb 1.23 0.00 -0.17 0.00 -1.58 0.00 0.00 32.23 31.71 1ogc h LYS 109 CO 0.57 0.23 0.63 0.00 -1.08 0.00 0.00 179.45 179.79 1ogc s ALA 110 N -3.10 -1.93 -0.13 3.86 0.00 -1.26 -4.13 121.76 115.08 1ogc s ALA 110 Ca 0.05 1.28 0.03 0.00 0.00 0.00 0.00 51.96 53.31 1ogc s ALA 110 Cb 0.06 0.16 0.01 0.00 0.00 0.00 0.00 23.12 23.35 1ogc s ALA 110 CO 0.71 -0.64 -0.21 0.08 0.00 0.00 0.00 175.76 175.71 1ogc s VAL 111 N -2.77 1.91 -0.37 0.00 1.01 0.02 -1.07 120.40 119.13 1ogc s VAL 111 Ca 0.07 -0.90 -0.13 0.00 0.00 0.00 0.00 61.98 61.02 1ogc s VAL 111 Cb -0.01 -1.69 0.01 0.00 0.00 0.00 0.00 36.38 34.68 1ogc s VAL 111 CO -0.07 0.52 0.24 -0.63 0.00 0.00 0.00 175.10 175.17 1ogc s ILE 112 N 0.78 5.03 -0.20 2.22 1.01 0.20 -1.18 121.20 129.07 1ogc s ILE 112 Ca -0.09 -0.55 -0.21 0.00 0.00 0.00 0.00 60.65 59.80 1ogc s ILE 112 Cb -0.16 -3.71 -0.02 0.00 0.01 0.00 0.00 42.46 38.58 1ogc s ILE 112 CO -0.00 -0.16 0.64 -0.60 0.00 0.00 0.00 174.94 174.82 1ogc s ARG 113 N 1.66 4.22 0.53 2.79 3.52 0.15 -0.39 118.95 131.42 1ogc s ARG 113 Ca 0.05 0.64 0.08 0.00 -0.13 0.00 0.00 55.73 56.37 1ogc s ARG 113 Cb -0.18 -3.58 0.08 0.00 -1.56 0.00 0.00 34.95 29.71 1ogc s ARG 113 CO 0.09 -0.25 0.67 0.25 -0.81 0.00 0.00 175.30 175.25 1ogc n THR 114 N 4.70 0.00 -0.16 4.11 -2.24 -0.14 -1.13 114.28 119.42 1ogc n THR 114 Ca -0.01 -1.81 0.08 0.00 -2.27 0.00 0.00 64.05 60.04 1ogc n THR 114 Cb 0.50 -0.46 0.29 0.00 -2.10 0.00 0.00 70.33 68.55 1ogc n THR 114 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ogc n GLY 115 N -1.39 2.17 3.64 3.38 0.00 -0.08 -3.62 105.19 109.29 1ogc n GLY 115 Ca 0.12 -0.69 -0.42 0.00 0.00 0.00 0.00 46.02 45.02 1ogc n GLY 115 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ogc s GLU 116 N -1.69 3.83 -0.64 1.61 2.56 -1.23 0.81 118.70 123.95 1ogc s GLU 116 Ca 0.42 2.36 -0.00 0.00 0.00 0.00 0.00 54.97 57.74 1ogc s GLU 116 Cb 0.26 -4.20 0.43 0.00 2.00 0.00 0.00 34.13 32.61 1ogc s GLU 116 CO 0.22 -1.30 1.87 1.19 -0.56 0.00 0.00 175.26 176.67 1ogc n PHE 117 N 8.77 3.12 -4.53 5.30 3.01 -1.26 -1.53 117.46 130.34 1ogc n PHE 117 Ca 0.22 -2.77 -0.23 0.00 1.01 0.00 0.00 57.45 55.68 1ogc n PHE 117 Cb 0.43 -1.17 -0.14 0.00 -0.01 0.00 0.00 39.48 38.59 1ogc n PHE 117 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 1ogc s THR 118 N -4.89 1.39 0.35 4.37 -4.23 -1.26 -5.07 115.64 106.31 1ogc s THR 118 Ca 0.59 -1.06 -0.28 0.00 -1.18 0.00 0.00 61.69 59.76 1ogc s THR 118 Cb 0.48 -1.22 -0.12 0.00 1.34 0.00 0.00 72.50 72.98 1ogc s THR 118 CO -0.10 0.14 1.43 -2.65 -0.54 0.00 0.00 174.62 172.90 1ogc n PRO 119 N 1.96 2.48 -2.18 3.99 -0.02 -1.26 -3.55 135.00 136.42 1ogc n PRO 119 Ca -0.17 0.87 -0.15 0.00 -2.02 0.00 0.00 63.50 62.03 1ogc n PRO 119 Cb 0.54 -2.55 -0.02 0.00 -0.02 0.00 0.00 33.50 31.45 1ogc n PRO 119 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1ogc n TYR 120 N 0.58 -1.04 -2.05 6.00 4.02 -1.26 -4.63 117.16 118.78 1ogc n TYR 120 Ca 0.03 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.51 1ogc n TYR 120 Cb 0.37 -3.03 -0.00 0.00 -0.02 0.00 0.00 39.34 36.66 1ogc n TYR 120 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1ogc n ALA 121 N -1.44 5.80 -2.87 -0.72 0.00 -1.23 -4.65 120.51 115.39 1ogc n ALA 121 Ca -0.17 -4.11 -0.11 0.00 0.00 0.00 0.00 53.44 49.05 1ogc n ALA 121 Cb 0.60 -3.13 -0.11 0.00 0.00 0.00 0.00 19.45 16.81 1ogc n ALA 121 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1ogc s ASN 122 N 1.48 0.53 0.02 0.00 -0.87 -1.26 -2.42 114.94 112.42 1ogc s ASN 122 Ca 0.46 -0.56 -0.24 0.00 -1.57 0.00 0.00 52.86 50.95 1ogc s ASN 122 Cb 0.13 0.08 0.05 0.00 -0.02 0.00 0.00 41.25 41.49 1ogc s ASN 122 CO -0.04 -0.28 0.54 0.00 -2.57 0.00 0.00 177.10 174.76 1ogc s ILE 124 N -2.03 4.02 -0.23 0.00 1.01 0.20 -1.54 121.20 122.62 1ogc s ILE 124 Ca -0.07 -0.30 -0.08 0.00 0.00 0.00 0.00 60.65 60.20 1ogc s ILE 124 Cb -0.01 -2.80 -0.04 0.00 0.01 0.00 0.00 42.46 39.63 1ogc s ILE 124 CO 0.02 0.46 0.09 -0.76 0.00 0.00 0.00 174.94 174.74 1ogc s LEU 125 N 0.69 3.65 -0.26 2.97 1.43 -0.24 -1.26 118.68 125.65 1ogc s LEU 125 Ca -0.00 -0.08 -0.10 0.00 -1.03 0.00 0.00 54.13 52.91 1ogc s LEU 125 Cb -0.14 -1.97 -0.05 0.00 0.03 0.00 0.00 46.19 44.06 1ogc s LEU 125 CO 0.02 0.03 0.16 -1.58 0.23 0.00 0.00 176.35 175.22 1ogc s GLN 126 N 1.24 3.95 0.28 1.70 0.74 -0.44 -1.89 119.66 125.24 1ogc s GLN 126 Ca 0.05 -0.33 -0.30 0.00 0.05 0.00 0.00 55.36 54.84 1ogc s GLN 126 Cb -0.14 -3.58 -0.10 0.00 1.10 0.00 0.00 33.01 30.28 1ogc s GLN 126 CO 0.04 -0.10 1.47 0.00 -0.55 0.00 0.00 175.29 176.15 1ogc s ALA 127 N 1.52 3.64 0.12 1.58 0.00 0.14 -1.27 121.76 127.49 1ogc s ALA 127 Ca 0.07 1.41 0.00 0.00 0.00 0.00 0.00 51.96 53.44 1ogc s ALA 127 Cb -0.15 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.39 1ogc s ALA 127 CO 0.08 -0.83 0.00 0.41 0.00 0.00 0.00 175.76 175.42 1ogc n GLY 128 N 1.89 1.58 3.16 0.00 0.00 0.25 -1.25 105.19 110.82 1ogc n GLY 128 Ca 0.06 -2.01 -0.22 0.00 0.00 0.00 0.00 46.02 43.84 1ogc n GLY 128 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ogc s VAL 129 N 1.48 1.24 -2.09 1.61 0.11 -1.26 -4.39 120.40 117.11 1ogc s VAL 129 Ca 0.00 -0.93 0.23 0.00 -2.93 0.00 0.00 61.98 58.35 1ogc s VAL 129 Cb 0.00 -1.09 0.62 0.00 -1.53 0.00 0.00 36.38 34.38 1ogc s VAL 129 CO 0.00 0.14 1.83 0.18 -3.33 0.00 0.00 175.10 173.92 1ogc n LEU 130 N 2.13 0.39 0.00 2.54 4.77 -1.26 -5.10 117.00 120.48 1ogc n LEU 130 Ca -0.17 -0.15 0.00 0.00 -0.03 0.00 0.00 56.01 55.66 1ogc n LEU 130 Cb 0.54 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 1ogc n LEU 130 CO 0.23 0.08 0.00 2.22 -1.33 0.00 0.00 177.39 178.59