#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 4.36 -0.06 0.03 2.20 -1.26 -4.94 119.74 120.07 1ogc s LYS 2 Ca 0.00 2.05 -0.00 0.00 -0.36 0.00 0.00 55.97 57.66 1ogc s LYS 2 Cb 0.00 -3.22 -0.26 0.00 -1.51 0.00 0.00 37.83 32.84 1ogc s LYS 2 CO 0.00 -0.33 0.59 0.87 -0.36 0.00 0.00 175.35 176.12 1ogc h LYS 3 N 5.96 0.19 -5.93 4.03 1.57 -2.05 -3.48 116.57 116.86 1ogc h LYS 3 Ca -0.44 -0.32 -0.60 0.00 -1.87 0.00 0.00 60.65 57.42 1ogc h LYS 3 Cb 1.21 0.12 -0.11 0.00 0.08 0.00 0.00 32.23 33.53 1ogc h LYS 3 CO 0.81 0.98 -0.61 -1.01 -0.57 0.00 0.00 179.45 179.05 1ogc s HIS 4 N -2.59 2.52 0.00 -1.35 3.76 -1.26 -5.09 115.29 111.28 1ogc s HIS 4 Ca -0.14 -0.51 0.00 0.00 -0.15 0.00 0.00 55.06 54.27 1ogc s HIS 4 Cb 0.07 -1.57 0.00 0.00 1.11 0.00 0.00 32.58 32.19 1ogc s HIS 4 CO 0.81 0.46 0.00 0.41 -0.85 0.00 0.00 174.74 175.57 1ogc n GLY 5 N -0.96 -0.69 3.74 -2.22 0.00 -1.26 -4.94 105.19 98.86 1ogc n GLY 5 Ca -0.04 -1.74 -0.42 0.00 0.00 0.00 0.00 46.02 43.83 1ogc n GLY 5 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1ogc n ILE 6 N -0.68 2.03 0.04 -0.61 3.06 -1.26 -4.93 119.36 117.01 1ogc n ILE 6 Ca 0.00 -0.50 -0.08 0.00 -2.50 0.00 0.00 62.75 59.67 1ogc n ILE 6 Cb 0.00 -1.77 0.06 0.00 0.54 0.00 0.00 39.64 38.48 1ogc n ILE 6 CO 0.00 0.00 0.00 0.25 -2.50 0.00 0.00 176.55 174.30 1ogc h LEU 7 N 2.72 0.47 -9.39 9.51 5.85 -2.00 -3.45 115.31 119.03 1ogc h LEU 7 Ca -0.48 -0.28 -0.54 0.00 0.84 0.00 0.00 57.88 57.42 1ogc h LEU 7 Cb 1.26 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.16 1ogc h LEU 7 CO 0.63 0.98 0.91 0.21 -0.34 0.00 0.00 178.44 180.83 1ogc s ASN 8 N -6.94 6.75 0.16 1.25 3.84 -1.26 -4.93 114.94 113.82 1ogc s ASN 8 Ca -0.06 2.24 -0.12 0.00 0.21 0.00 0.00 52.86 55.14 1ogc s ASN 8 Cb 0.11 -2.56 0.05 0.00 -0.55 0.00 0.00 41.25 38.31 1ogc s ASN 8 CO 0.83 -0.79 1.67 0.77 -2.79 0.00 0.00 177.10 176.79 1ogc h SER 9 N 8.12 0.86 -0.45 -4.21 4.64 -2.00 -0.98 113.55 119.53 1ogc h SER 9 Ca -0.39 -0.23 -0.02 0.00 -0.47 0.00 0.00 61.79 60.67 1ogc h SER 9 Cb 1.18 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 63.03 1ogc h SER 9 CO 0.92 0.87 0.21 0.45 -0.87 0.00 0.00 176.83 178.40 1ogc h HIS 10 N 0.81 0.66 -0.61 4.77 3.86 -1.99 -2.80 115.15 119.84 1ogc h HIS 10 Ca 0.18 -0.04 -0.10 0.00 -1.16 0.00 0.00 60.37 59.25 1ogc h HIS 10 Cb 0.35 -0.20 -0.02 0.00 1.06 0.00 0.00 27.41 28.59 1ogc h HIS 10 CO 0.02 0.54 -0.01 -0.07 0.86 0.00 0.00 177.93 179.27 1ogc h LEU 11 N 0.58 1.06 -0.89 2.43 3.38 -1.93 -2.91 115.31 117.03 1ogc h LEU 11 Ca 0.15 -0.31 0.04 0.00 0.09 0.00 0.00 57.88 57.85 1ogc h LEU 11 Cb 0.13 -0.29 -0.05 0.00 0.09 0.00 0.00 40.66 40.54 1ogc h LEU 11 CO -0.02 1.11 0.58 0.00 0.09 0.00 0.00 178.44 180.20 1ogc h ALA 12 N 0.99 1.18 -0.91 1.53 0.00 -1.08 0.19 119.26 121.16 1ogc h ALA 12 Ca 0.17 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1ogc h ALA 12 Cb 0.57 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 1ogc h ALA 12 CO 0.03 0.42 0.53 0.87 0.00 0.00 0.00 179.25 181.11 1ogc h LYS 13 N 1.11 1.25 -0.13 0.00 1.57 -1.35 0.21 116.57 119.23 1ogc h LYS 13 Ca 0.36 -0.12 -0.05 0.00 -1.87 0.00 0.00 60.65 58.97 1ogc h LYS 13 Cb 0.02 -0.26 -0.00 0.00 0.08 0.00 0.00 32.23 32.07 1ogc h LYS 13 CO -0.12 0.88 -0.10 0.82 -0.57 0.00 0.00 179.45 180.36 1ogc h ILE 14 N 1.26 1.34 -0.52 1.86 5.03 -1.12 -3.16 117.51 122.21 1ogc h ILE 14 Ca 0.33 -1.22 -0.02 0.00 -0.12 0.00 0.00 64.86 63.82 1ogc h ILE 14 Cb -0.03 1.87 -0.03 0.00 -3.03 0.00 0.00 36.82 35.61 1ogc h ILE 14 CO -0.06 0.35 0.23 -0.07 -0.68 0.00 0.00 178.15 177.93 1ogc h LEU 15 N -0.08 0.66 -1.66 1.44 3.38 -0.74 -2.44 115.31 115.86 1ogc h LEU 15 Ca 0.02 -0.07 0.11 0.00 0.09 0.00 0.00 57.88 58.04 1ogc h LEU 15 Cb 0.61 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.15 1ogc h LEU 15 CO 0.03 0.57 0.42 0.00 0.09 0.00 0.00 178.44 179.55 1ogc h ALA 16 N 1.53 2.08 -0.01 1.53 0.00 -0.92 -2.17 119.26 121.30 1ogc h ALA 16 Ca 0.18 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1ogc h ALA 16 Cb 0.10 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1ogc h ALA 16 CO -0.02 -0.24 -0.24 -0.25 0.00 0.00 0.00 179.25 178.51 1ogc n ASP 17 N -4.46 1.53 -4.73 0.00 8.00 -0.93 -4.96 116.55 111.00 1ogc n ASP 17 Ca 0.11 -1.26 -0.42 0.00 0.71 0.00 0.00 54.79 53.93 1ogc n ASP 17 Cb 0.43 0.18 -0.03 0.00 -0.02 0.00 0.00 41.12 41.68 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 -2.35 4.37 0.38 0.64 1.43 -0.82 -5.01 118.68 117.32 1ogc s LEU 18 Ca 0.26 2.73 0.07 0.00 -1.03 0.00 0.00 54.13 56.17 1ogc s LEU 18 Cb 0.19 -3.61 -0.07 0.00 0.03 0.00 0.00 46.19 42.73 1ogc s LEU 18 CO 0.48 -0.84 -0.01 -0.83 0.23 0.00 0.00 176.35 175.37 1ogc s GLY 19 N 0.85 2.36 0.00 -3.19 0.00 -1.26 -5.04 107.32 101.04 1ogc s GLY 19 Ca 0.67 -2.21 -0.36 0.00 0.00 0.00 0.00 44.72 42.82 1ogc s GLY 19 CO 0.37 -2.04 1.62 1.57 0.00 0.00 0.00 173.10 174.62 1ogc n HIS 20 N -0.88 2.05 -0.65 1.90 -0.00 -1.26 -1.65 115.22 114.74 1ogc n HIS 20 Ca -0.05 0.34 0.00 0.00 0.46 0.00 0.00 57.72 58.47 1ogc n HIS 20 Cb 0.66 -2.50 0.00 0.00 -0.12 0.00 0.00 29.99 28.02 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 3.83 0.00 -2.21 3.57 -2.24 -0.34 -5.01 114.28 111.88 1ogc n THR 21 Ca 0.20 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.62 1ogc n THR 21 Cb 0.24 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.47 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 -3.12 5.90 0.06 3.42 1.01 -0.66 -4.62 116.67 118.65 1ogc s ASP 22 Ca 0.00 2.30 0.09 0.00 0.71 0.00 0.00 52.55 55.65 1ogc s ASP 22 Cb 0.00 -2.60 -0.03 0.00 1.01 0.00 0.00 42.92 41.30 1ogc s ASP 22 CO 0.00 -1.11 -0.24 -0.54 0.21 0.00 0.00 175.17 173.50 1ogc s LYS 23 N -2.94 1.83 0.08 8.23 1.02 -1.26 -0.85 119.74 125.85 1ogc s LYS 23 Ca 0.68 -1.11 0.04 0.00 0.02 0.00 0.00 55.97 55.61 1ogc s LYS 23 Cb -0.28 -2.04 -0.03 0.00 -0.52 0.00 0.00 37.83 34.96 1ogc s LYS 23 CO 0.33 0.51 -0.12 0.96 -0.92 0.00 0.00 175.35 176.11 1ogc s ILE 24 N -0.89 1.01 -0.04 2.17 -4.36 -0.92 -0.04 121.20 118.12 1ogc s ILE 24 Ca 0.13 -1.44 0.05 0.00 -0.26 0.00 0.00 60.65 59.13 1ogc s ILE 24 Cb -0.10 -1.17 -0.02 0.00 1.25 0.00 0.00 42.46 42.41 1ogc s ILE 24 CO 0.04 -0.38 -0.19 -0.69 0.24 0.00 0.00 174.94 173.96 1ogc s VAL 25 N -1.79 2.69 -0.20 8.37 1.01 -0.09 -1.15 120.40 129.24 1ogc s VAL 25 Ca 0.01 -0.87 -0.04 0.00 0.00 0.00 0.00 61.98 61.08 1ogc s VAL 25 Cb -0.07 -2.01 -0.02 0.00 0.00 0.00 0.00 36.38 34.28 1ogc s VAL 25 CO 0.01 0.59 -0.03 -0.63 0.00 0.00 0.00 175.10 175.04 1ogc s ILE 26 N -0.65 3.72 0.17 2.22 1.01 -0.40 0.17 121.20 127.43 1ogc s ILE 26 Ca 0.10 -0.39 0.08 0.00 0.00 0.00 0.00 60.65 60.44 1ogc s ILE 26 Cb -0.11 -2.67 -0.04 0.00 0.01 0.00 0.00 42.46 39.65 1ogc s ILE 26 CO 0.00 0.44 -0.17 0.00 0.00 0.00 0.00 174.94 175.22 1ogc s ALA 27 N 1.01 1.91 0.99 9.38 0.00 0.45 -1.60 121.76 133.89 1ogc s ALA 27 Ca 0.01 -1.49 -0.17 0.00 0.00 0.00 0.00 51.96 50.31 1ogc s ALA 27 Cb -0.14 -0.14 0.22 0.00 0.00 0.00 0.00 23.12 23.05 1ogc s ALA 27 CO 0.01 0.17 1.34 0.16 0.00 0.00 0.00 175.76 177.44 1ogc s ASP 28 N -2.78 2.85 0.00 0.00 3.84 -0.95 -1.21 116.67 118.41 1ogc s ASP 28 Ca 0.16 0.21 0.13 0.00 -0.00 0.00 0.00 52.55 53.05 1ogc s ASP 28 Cb -0.04 -0.20 0.66 0.00 -1.38 0.00 0.00 42.92 41.96 1ogc s ASP 28 CO 0.06 -2.90 1.35 0.00 -0.00 0.00 0.00 175.17 173.68 1ogc n ALA 29 N -3.87 1.76 0.28 2.11 0.00 -0.38 -3.46 120.51 116.94 1ogc n ALA 29 Ca 0.16 -0.06 0.04 0.00 0.00 0.00 0.00 53.44 53.58 1ogc n ALA 29 Cb 0.59 -1.21 -0.05 0.00 0.00 0.00 0.00 19.45 18.78 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 -0.16 0.15 3.73 0.00 0.00 -1.26 -5.02 105.19 102.62 1ogc n GLY 30 Ca 0.06 -0.21 -0.42 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.31 4.05 -4.79 0.99 7.94 -1.23 -4.96 117.00 117.70 1ogc n LEU 31 Ca 0.01 1.13 -0.36 0.00 -1.11 0.00 0.00 56.01 55.68 1ogc n LEU 31 Cb 0.14 -1.56 -0.06 0.00 0.53 0.00 0.00 43.42 42.47 1ogc n LEU 31 CO 0.15 0.04 0.67 -2.16 -1.11 0.00 0.00 177.39 174.99 1ogc s PRO 32 N -0.11 4.38 -0.25 1.96 0.04 -1.26 -4.99 135.00 134.77 1ogc s PRO 32 Ca 0.67 1.31 -0.09 0.00 0.04 0.00 0.00 61.00 62.94 1ogc s PRO 32 Cb -0.53 -2.56 -0.04 0.00 0.04 0.00 0.00 34.50 31.41 1ogc s PRO 32 CO 0.45 0.09 0.12 0.08 0.04 0.00 0.00 177.00 177.78 1ogc s VAL 33 N -1.79 4.82 0.64 -0.36 1.01 -1.26 -5.08 120.40 118.38 1ogc s VAL 33 Ca 0.55 -0.00 -0.18 0.00 0.00 0.00 0.00 61.98 62.35 1ogc s VAL 33 Cb -0.17 -3.26 -0.02 0.00 0.00 0.00 0.00 36.38 32.93 1ogc s VAL 33 CO 0.22 0.32 1.17 -2.65 0.00 0.00 0.00 175.10 174.15 1ogc n PRO 34 N 4.77 0.98 -1.99 2.72 -0.02 -1.26 -4.92 135.00 135.28 1ogc n PRO 34 Ca -0.15 0.39 -0.41 0.00 -2.02 0.00 0.00 63.50 61.31 1ogc n PRO 34 Cb 0.52 -2.40 -0.01 0.00 -0.02 0.00 0.00 33.50 31.59 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 -1.37 6.54 0.00 2.55 1.01 -1.26 -2.54 116.67 121.59 1ogc s ASP 35 Ca 0.80 2.82 0.00 0.00 0.71 0.00 0.00 52.55 56.88 1ogc s ASP 35 Cb -0.39 -2.65 0.00 0.00 1.01 0.00 0.00 42.92 40.89 1ogc s ASP 35 CO 0.43 -0.71 0.00 0.61 0.21 0.00 0.00 175.17 175.70 1ogc n GLY 36 N 0.65 1.85 3.72 0.21 0.00 -1.26 -5.03 105.19 105.33 1ogc n GLY 36 Ca 0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 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 5.36 0.21 1.61 1.01 -1.05 -5.05 120.40 120.14 1ogc s VAL 37 Ca 0.00 0.33 -0.31 0.00 0.00 0.00 0.00 61.98 62.01 1ogc s VAL 37 Cb 0.00 -3.54 -0.10 0.00 0.00 0.00 0.00 36.38 32.74 1ogc s VAL 37 CO 0.00 0.40 1.52 -0.22 0.00 0.00 0.00 175.10 176.80 1ogc s LEU 38 N 0.53 4.37 -0.18 3.92 2.96 -1.26 -4.86 118.68 124.16 1ogc s LEU 38 Ca 0.11 2.66 -0.03 0.00 -0.22 0.00 0.00 54.13 56.65 1ogc s LEU 38 Cb -0.12 -3.61 -0.01 0.00 0.50 0.00 0.00 46.19 42.95 1ogc s LEU 38 CO 0.01 -0.78 -0.06 -0.75 -1.32 0.00 0.00 176.35 173.45 1ogc s LYS 39 N 0.42 3.45 -0.29 1.98 2.20 -1.26 -0.92 119.74 125.32 1ogc s LYS 39 Ca 0.65 -0.62 -0.03 0.00 -0.36 0.00 0.00 55.97 55.62 1ogc s LYS 39 Cb -0.43 -2.89 0.04 0.00 -1.51 0.00 0.00 37.83 33.04 1ogc s LYS 39 CO 0.37 0.02 -0.00 0.42 -0.36 0.00 0.00 175.35 175.80 1ogc s ILE 40 N 0.91 3.10 -0.38 5.43 1.01 -0.01 -4.97 121.20 126.29 1ogc s ILE 40 Ca -0.01 -1.20 -0.14 0.00 0.00 0.00 0.00 60.65 59.30 1ogc s ILE 40 Cb -0.15 -2.71 0.01 0.00 0.01 0.00 0.00 42.46 39.63 1ogc s ILE 40 CO 0.01 -0.01 0.27 -0.62 0.00 0.00 0.00 174.94 174.58 1ogc s ASP 41 N 1.31 6.03 0.00 3.58 3.68 -1.26 -0.24 116.67 129.76 1ogc s ASP 41 Ca -0.03 -0.75 0.23 0.00 2.13 0.00 0.00 52.55 54.13 1ogc s ASP 41 Cb -0.19 -2.13 0.05 0.00 -1.45 0.00 0.00 42.92 39.20 1ogc s ASP 41 CO -0.01 -0.37 1.12 0.18 0.13 0.00 0.00 175.17 176.22 1ogc n LEU 42 N 5.12 1.81 -4.72 -1.34 4.77 -0.20 -4.94 117.00 117.50 1ogc n LEU 42 Ca -0.12 -0.67 -0.39 0.00 -0.03 0.00 0.00 56.01 54.80 1ogc n LEU 42 Cb 0.48 -0.01 0.04 0.00 -2.33 0.00 0.00 43.42 41.59 1ogc n LEU 42 CO 0.39 0.34 0.90 -1.54 -1.33 0.00 0.00 177.39 176.15 1ogc n SER 43 N -0.25 2.39 0.00 -1.43 3.41 -1.16 -4.34 113.62 112.23 1ogc n SER 43 Ca 0.09 0.98 0.00 0.00 -0.26 0.00 0.00 58.87 59.68 1ogc n SER 43 Cb 0.44 -1.53 0.00 0.00 -0.26 0.00 0.00 64.21 62.86 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 -0.71 0.91 -3.65 1.04 7.94 0.91 -4.91 117.00 118.53 1ogc n LEU 44 Ca 0.10 0.00 -0.09 0.00 -1.11 0.00 0.00 56.01 54.91 1ogc n LEU 44 Cb 0.44 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 44.37 1ogc n LEU 44 CO 0.54 0.12 0.44 -1.59 -1.11 0.00 0.00 177.39 175.79 1ogc s LYS 45 N -1.97 1.54 -0.14 1.96 -2.85 -1.08 -5.04 119.74 112.15 1ogc s LYS 45 Ca 0.00 -0.74 -0.39 0.00 -1.00 0.00 0.00 55.97 53.84 1ogc s LYS 45 Cb 0.00 0.60 -0.17 0.00 -2.06 0.00 0.00 37.83 36.20 1ogc s LYS 45 CO 0.00 -0.69 1.55 -2.30 0.10 0.00 0.00 175.35 174.00 1ogc n PRO 46 N -0.42 1.01 -0.56 1.78 -0.02 -1.26 -0.60 135.00 134.93 1ogc n PRO 46 Ca -0.10 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.75 1ogc n PRO 46 Cb 0.62 -2.01 0.00 0.00 -0.02 0.00 0.00 33.50 32.08 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 3.41 1.24 2.77 -1.23 0.00 0.24 -5.01 105.19 106.61 1ogc n GLY 47 Ca 0.23 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.99 1ogc n GLY 47 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ogc s LEU 48 N 0.00 1.00 0.61 0.99 0.20 0.23 -3.22 118.68 118.49 1ogc s LEU 48 Ca 0.00 -0.53 -0.10 0.00 0.69 0.00 0.00 54.13 54.20 1ogc s LEU 48 Cb 0.00 -0.57 -0.02 0.00 -0.43 0.00 0.00 46.19 45.16 1ogc s LEU 48 CO 0.00 -0.25 0.99 -2.16 -0.29 0.00 0.00 176.35 174.64 1ogc s PRO 49 N 1.88 3.38 0.48 0.98 0.04 -1.26 -0.06 135.00 140.43 1ogc s PRO 49 Ca 0.02 0.54 -0.06 0.00 0.04 0.00 0.00 61.00 61.53 1ogc s PRO 49 Cb -0.15 -2.13 -0.04 0.00 0.04 0.00 0.00 34.50 32.22 1ogc s PRO 49 CO -0.07 -0.62 0.80 0.00 0.04 0.00 0.00 177.00 177.15 1ogc s ALA 50 N -3.13 3.38 0.15 8.56 0.00 -1.20 -0.45 121.76 129.06 1ogc s ALA 50 Ca 0.54 -0.44 -0.17 0.00 0.00 0.00 0.00 51.96 51.89 1ogc s ALA 50 Cb -0.11 -2.63 0.04 0.00 0.00 0.00 0.00 23.12 20.42 1ogc s ALA 50 CO 0.51 -0.33 1.73 0.35 0.00 0.00 0.00 175.76 178.03 1ogc h PHE 51 N 0.32 0.11 -0.69 0.00 3.57 -1.94 -1.80 116.94 116.51 1ogc h PHE 51 Ca -0.47 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.06 1ogc h PHE 51 Cb 1.20 -0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.91 1ogc h PHE 51 CO 0.59 0.02 0.46 1.96 -2.23 0.00 0.00 178.31 179.12 1ogc h GLN 52 N 0.18 0.91 -0.19 1.11 4.20 -1.98 0.34 115.11 119.67 1ogc h GLN 52 Ca 0.14 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.79 1ogc h GLN 52 Cb 0.15 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 27.72 1ogc h GLN 52 CO -0.19 0.60 0.09 -0.44 -0.67 0.00 0.00 178.83 178.22 1ogc h ASP 53 N 0.94 0.24 0.02 1.46 3.32 -1.87 -2.05 116.42 118.50 1ogc h ASP 53 Ca 0.25 -0.13 -0.00 0.00 0.02 0.00 0.00 57.03 57.18 1ogc h ASP 53 Cb -0.11 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.38 1ogc h ASP 53 CO -0.06 0.30 -0.01 0.74 -1.72 0.00 0.00 179.24 178.49 1ogc h THR 54 N 0.17 1.06 -0.49 0.35 2.02 -1.10 -2.50 112.91 112.42 1ogc h THR 54 Ca 0.06 -0.25 0.05 0.00 0.77 0.00 0.00 66.41 67.04 1ogc h THR 54 Cb 0.12 1.23 -0.03 0.00 -1.74 0.00 0.00 68.15 67.73 1ogc h THR 54 CO -0.01 0.06 0.33 0.00 0.37 0.00 0.00 175.52 176.28 1ogc h ALA 55 N 0.83 1.86 -0.23 6.16 0.00 -0.91 -1.88 119.26 125.10 1ogc h ALA 55 Ca -0.00 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 1ogc h ALA 55 Cb 0.13 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1ogc h ALA 55 CO 0.01 0.06 -0.36 0.00 0.00 0.00 0.00 179.25 178.96 1ogc h ALA 56 N 1.73 0.35 -0.37 0.00 0.00 -1.14 -1.72 119.26 118.11 1ogc h ALA 56 Ca 0.21 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 1ogc h ALA 56 Cb 0.23 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1ogc h ALA 56 CO -0.05 0.42 0.19 0.28 0.00 0.00 0.00 179.25 180.08 1ogc h VAL 57 N 0.35 1.15 -0.64 0.00 2.07 -1.01 -2.60 116.25 115.57 1ogc h VAL 57 Ca 0.02 -0.42 -0.05 0.00 0.82 0.00 0.00 66.70 67.07 1ogc h VAL 57 Cb 0.94 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 31.44 1ogc h VAL 57 CO 0.08 0.16 0.21 -0.07 0.02 0.00 0.00 177.57 177.97 1ogc h LEU 58 N 0.47 0.89 -1.70 2.57 -0.00 -1.34 -2.17 115.31 114.03 1ogc h LEU 58 Ca 0.13 -0.15 -0.04 0.00 -0.00 0.00 0.00 57.88 57.82 1ogc h LEU 58 Cb 0.09 -0.23 -0.01 0.00 -0.00 0.00 0.00 40.66 40.51 1ogc h LEU 58 CO -0.02 0.83 -0.18 0.00 -0.00 0.00 0.00 178.44 179.07 1ogc h ALA 59 N 1.29 1.42 0.00 1.53 0.00 -1.14 -0.66 119.26 121.70 1ogc h ALA 59 Ca 0.21 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 1ogc h ALA 59 Cb 0.25 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1ogc h ALA 59 CO -0.01 0.23 -0.48 1.49 0.00 0.00 0.00 179.25 180.48 1ogc h GLU 60 N 0.00 0.00 -0.00 0.00 4.57 -1.01 -3.36 114.58 114.77 1ogc h GLU 60 Ca -0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1ogc h GLU 60 Cb 0.39 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.98 1ogc h GLU 60 CO 0.02 0.29 -0.46 0.39 -1.18 0.00 0.00 179.01 178.07 1ogc n GLU 61 N -3.11 3.16 -4.60 1.92 -0.58 -0.94 -5.00 120.64 111.48 1ogc n GLU 61 Ca 0.01 -0.12 -0.22 0.00 -0.42 0.00 0.00 57.16 56.42 1ogc n GLU 61 Cb 0.67 -1.03 -0.15 0.00 -0.57 0.00 0.00 31.44 30.36 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 -1.93 1.10 -0.39 3.49 1.75 -0.30 -4.96 119.30 118.06 1ogc s MET 62 Ca 0.05 -0.54 -0.26 0.00 -1.25 0.00 0.00 55.69 53.69 1ogc s MET 62 Cb 0.08 -1.07 0.02 0.00 2.84 0.00 0.00 34.83 36.70 1ogc s MET 62 CO 0.42 0.29 0.95 0.00 -0.65 0.00 0.00 175.02 176.03 1ogc s ALA 63 N -0.40 3.36 -0.21 4.11 0.00 -1.26 -4.69 121.76 122.65 1ogc s ALA 63 Ca 0.05 -0.50 -0.06 0.00 0.00 0.00 0.00 51.96 51.45 1ogc s ALA 63 Cb -0.06 -3.60 -0.03 0.00 0.00 0.00 0.00 23.12 19.44 1ogc s ALA 63 CO -0.00 -1.75 0.03 0.08 0.00 0.00 0.00 175.76 174.12 1ogc s VAL 64 N 3.63 4.12 -0.25 0.00 1.01 -1.26 0.76 120.40 128.40 1ogc s VAL 64 Ca 0.39 -0.25 0.22 0.00 0.00 0.00 0.00 61.98 62.34 1ogc s VAL 64 Cb -0.11 -2.88 -0.29 0.00 0.00 0.00 0.00 36.38 33.10 1ogc s VAL 64 CO 0.21 0.40 0.62 -1.84 0.00 0.00 0.00 175.10 174.49 1ogc n GLU 65 N 4.39 0.52 -3.62 2.72 0.28 -0.49 -4.74 120.64 119.69 1ogc n GLU 65 Ca -0.17 -0.14 -0.15 0.00 -0.16 0.00 0.00 57.16 56.54 1ogc n GLU 65 Cb 0.52 -1.54 -0.07 0.00 1.43 0.00 0.00 31.44 31.78 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 0.85 0.02 3.44 2.20 -1.19 -3.59 119.74 118.06 1ogc s LYS 66 Ca -0.04 0.54 0.08 0.00 -0.36 0.00 0.00 55.97 56.19 1ogc s LYS 66 Cb 0.14 0.40 -0.02 0.00 -1.51 0.00 0.00 37.83 36.84 1ogc s LYS 66 CO 0.89 -0.19 -0.24 0.08 -0.36 0.00 0.00 175.35 175.54 1ogc s VAL 67 N -0.39 1.90 -0.05 4.02 1.01 -0.08 -1.04 120.40 125.77 1ogc s VAL 67 Ca -0.05 -1.18 0.03 0.00 0.00 0.00 0.00 61.98 60.78 1ogc s VAL 67 Cb -0.03 -1.61 0.00 0.00 0.00 0.00 0.00 36.38 34.74 1ogc s VAL 67 CO 0.05 0.39 -0.13 -0.63 0.00 0.00 0.00 175.10 174.77 1ogc s ILE 68 N -0.70 1.16 0.19 2.22 1.01 -0.46 -1.04 121.20 123.58 1ogc s ILE 68 Ca 0.10 -0.54 -0.03 0.00 0.00 0.00 0.00 60.65 60.17 1ogc s ILE 68 Cb -0.09 -1.02 -0.03 0.00 0.01 0.00 0.00 42.46 41.32 1ogc s ILE 68 CO 0.01 0.35 0.17 0.00 0.00 0.00 0.00 174.94 175.46 1ogc s ALA 69 N 0.28 0.83 0.10 9.38 0.00 -0.67 -0.54 121.76 131.14 1ogc s ALA 69 Ca -0.07 -1.48 -0.26 0.00 0.00 0.00 0.00 51.96 50.15 1ogc s ALA 69 Cb -0.12 1.18 -0.06 0.00 0.00 0.00 0.00 23.12 24.12 1ogc s ALA 69 CO 0.02 -0.60 0.81 0.00 0.00 0.00 0.00 175.76 175.99 1ogc s ALA 70 N -4.10 3.37 0.49 0.00 0.00 -1.26 -2.01 121.76 118.25 1ogc s ALA 70 Ca 0.32 0.37 0.17 0.00 0.00 0.00 0.00 51.96 52.82 1ogc s ALA 70 Cb 0.06 -3.05 1.21 0.00 0.00 0.00 0.00 23.12 21.34 1ogc s ALA 70 CO 0.08 0.11 2.06 0.00 0.00 0.00 0.00 175.76 178.02 1ogc h ALA 71 N 5.24 2.11 0.00 0.00 0.00 -0.68 -1.30 119.26 124.64 1ogc h ALA 71 Ca -0.45 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1ogc h ALA 71 Cb 1.21 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1ogc h ALA 71 CO 0.70 -0.19 0.00 0.39 0.00 0.00 0.00 179.25 180.15 1ogc n GLU 72 N -4.47 0.06 -0.07 0.00 4.71 -1.26 -2.35 120.64 117.26 1ogc n GLU 72 Ca 0.04 0.50 -0.10 0.00 -0.01 0.00 0.00 57.16 57.59 1ogc n GLU 72 Cb 0.29 -1.68 0.05 0.00 -1.01 0.00 0.00 31.44 29.10 1ogc n GLU 72 CO 0.00 0.00 0.00 0.97 0.09 0.00 0.00 177.13 178.19 1ogc h ILE 73 N 0.00 1.28 -0.24 -3.67 2.10 -1.51 -1.69 117.51 113.79 1ogc h ILE 73 Ca 0.00 -1.52 0.01 0.00 1.08 0.00 0.00 64.86 64.43 1ogc h ILE 73 Cb 0.08 1.41 -0.02 0.00 -1.09 0.00 0.00 36.82 37.20 1ogc h ILE 73 CO 0.00 0.50 0.12 0.11 -1.08 0.00 0.00 178.15 177.80 1ogc h LYS 74 N 0.63 0.25 0.04 2.19 1.57 -1.67 0.25 116.57 119.83 1ogc h LYS 74 Ca 0.06 -0.02 -0.26 0.00 -1.87 0.00 0.00 60.65 58.57 1ogc h LYS 74 Cb 0.90 -0.06 0.01 0.00 0.08 0.00 0.00 32.23 33.17 1ogc h LYS 74 CO 0.08 0.17 -1.07 0.00 -0.57 0.00 0.00 179.45 178.06 1ogc h ALA 75 N 1.12 0.19 0.00 3.86 0.00 -1.71 -3.30 119.26 119.42 1ogc h ALA 75 Ca 0.10 -0.74 0.00 0.00 0.00 0.00 0.00 54.91 54.27 1ogc h ALA 75 Cb 0.02 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1ogc h ALA 75 CO -0.06 0.77 -1.02 0.43 0.00 0.00 0.00 179.25 179.37 1ogc n SER 76 N -3.76 0.97 -2.94 0.00 7.64 -0.64 -4.68 113.62 110.21 1ogc n SER 76 Ca -0.10 -0.97 -0.14 0.00 1.01 0.00 0.00 58.87 58.67 1ogc n SER 76 Cb 0.90 1.01 0.02 0.00 -1.01 0.00 0.00 64.21 65.13 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 -1.52 -1.19 -0.29 6.43 4.05 0.89 -4.78 115.26 118.86 1ogc n ASN 77 Ca 0.04 -3.25 0.03 0.00 0.45 0.00 0.00 54.58 51.85 1ogc n ASN 77 Cb 0.34 0.77 0.16 0.00 1.23 0.00 0.00 39.78 42.28 1ogc n ASN 77 CO 0.00 0.00 0.00 1.56 -3.05 0.00 0.00 177.26 175.77 1ogc h GLN 78 N 3.42 0.77 0.29 1.20 4.20 -1.63 -0.90 115.11 122.45 1ogc h GLN 78 Ca -0.03 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.64 1ogc h GLN 78 Cb 1.01 -0.17 -0.03 0.00 0.30 0.00 0.00 27.48 28.59 1ogc h GLN 78 CO 0.33 0.51 -0.39 1.49 -0.67 0.00 0.00 178.83 180.10 1ogc h GLU 79 N 0.79 -0.71 -0.25 1.46 4.81 -1.92 -0.30 114.58 118.46 1ogc h GLU 79 Ca 0.39 0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 59.60 1ogc h GLU 79 Cb 0.35 0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.87 1ogc h GLU 79 CO -0.24 -0.47 -0.16 -0.91 -0.73 0.00 0.00 179.01 176.49 1ogc h ASN 80 N -0.74 0.43 -0.53 1.04 2.35 -1.89 -1.31 115.58 114.93 1ogc h ASN 80 Ca -0.01 -0.12 -0.00 0.00 -0.55 0.00 0.00 56.30 55.62 1ogc h ASN 80 Cb 0.69 -0.11 -0.03 0.00 0.05 0.00 0.00 38.32 38.92 1ogc h ASN 80 CO -0.13 0.61 0.32 0.00 -1.65 0.00 0.00 177.43 176.59 1ogc h ALA 81 N 1.43 0.68 -0.23 -0.83 0.00 -0.76 -1.39 119.26 118.16 1ogc h ALA 81 Ca 0.07 -0.07 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 1ogc h ALA 81 Cb 0.52 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1ogc h ALA 81 CO 0.03 0.16 -0.42 0.87 0.00 0.00 0.00 179.25 179.90 1ogc h LYS 82 N 0.71 0.54 -0.39 0.00 1.57 -0.81 -2.46 116.57 115.75 1ogc h LYS 82 Ca 0.19 -0.28 0.04 0.00 -1.87 0.00 0.00 60.65 58.73 1ogc h LYS 82 Cb -0.01 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.27 1ogc h LYS 82 CO -0.04 0.87 0.16 0.35 -0.57 0.00 0.00 179.45 180.22 1ogc h PHE 83 N 0.45 0.28 -0.58 -1.35 3.57 -0.76 -0.37 116.94 118.19 1ogc h PHE 83 Ca 0.04 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.54 1ogc h PHE 83 Cb 0.92 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 39.56 1ogc h PHE 83 CO 0.04 0.13 0.31 -0.07 -2.23 0.00 0.00 178.31 176.48 1ogc h LEU 84 N 0.33 0.72 -0.55 0.59 3.38 -1.09 0.16 115.31 118.85 1ogc h LEU 84 Ca 0.17 -0.10 0.02 0.00 0.09 0.00 0.00 57.88 58.06 1ogc h LEU 84 Cb 0.13 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 1ogc h LEU 84 CO -0.16 0.62 0.35 -0.33 0.09 0.00 0.00 178.44 179.01 1ogc h GLU 85 N 0.78 0.68 0.01 1.13 4.39 -0.96 -0.83 114.58 119.78 1ogc h GLU 85 Ca 0.20 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.86 1ogc h GLU 85 Cb 0.06 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 28.55 1ogc h GLU 85 CO -0.03 0.45 -0.01 -0.91 -1.16 0.00 0.00 179.01 177.35 1ogc h ASN 86 N 0.70 -0.01 -0.28 1.42 -0.26 -0.75 -2.61 115.58 113.78 1ogc h ASN 86 Ca 0.22 -0.51 0.04 0.00 -0.56 0.00 0.00 56.30 55.48 1ogc h ASN 86 Cb -0.02 0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 37.21 1ogc h ASN 86 CO -0.08 0.51 0.06 0.25 -1.06 0.00 0.00 177.43 177.11 1ogc h LEU 87 N -0.54 0.03 -4.69 1.61 5.85 -0.62 -2.91 115.31 114.05 1ogc h LEU 87 Ca -0.00 0.04 -0.71 0.00 0.84 0.00 0.00 57.88 58.05 1ogc h LEU 87 Cb 0.52 0.05 -0.31 0.00 0.37 0.00 0.00 40.66 41.29 1ogc h LEU 87 CO 0.00 0.05 0.63 0.49 -0.34 0.00 0.00 178.44 179.28 1ogc n PHE 88 N -5.07 3.09 0.26 1.25 3.01 -0.32 -4.72 117.46 114.95 1ogc n PHE 88 Ca -0.01 -2.58 0.10 0.00 1.01 0.00 0.00 57.45 55.98 1ogc n PHE 88 Cb 0.12 -1.00 0.70 0.00 -0.01 0.00 0.00 39.48 39.28 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 2.72 0.00 0.59 4.37 4.64 -1.25 -2.59 113.55 122.02 1ogc h SER 89 Ca 0.52 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.84 1ogc h SER 89 Cb 0.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 1ogc h SER 89 CO 1.33 0.09 -0.74 -0.62 -0.87 0.00 0.00 176.83 176.01 1ogc n GLU 90 N -4.04 0.20 -3.01 4.77 1.02 -1.26 -4.93 120.64 113.38 1ogc n GLU 90 Ca -0.03 0.03 -0.22 0.00 -0.02 0.00 0.00 57.16 56.93 1ogc n GLU 90 Cb 0.17 -1.60 0.01 0.00 -0.02 0.00 0.00 31.44 30.01 1ogc n GLU 90 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1ogc s GLN 91 N -3.13 2.97 -0.17 3.49 1.11 -0.98 -5.06 119.66 117.89 1ogc s GLN 91 Ca 0.07 -0.67 -0.25 0.00 0.01 0.00 0.00 55.36 54.51 1ogc s GLN 91 Cb 0.15 -2.60 -0.02 0.00 -1.01 0.00 0.00 33.01 29.53 1ogc s GLN 91 CO 0.75 -0.29 0.81 -2.00 0.01 0.00 0.00 175.29 174.57 1ogc s GLU 92 N -4.51 4.29 -0.18 2.91 2.12 -1.24 -4.93 118.70 117.16 1ogc s GLU 92 Ca 0.50 0.98 -0.04 0.00 0.36 0.00 0.00 54.97 56.77 1ogc s GLU 92 Cb -0.10 -3.57 -0.02 0.00 0.26 0.00 0.00 34.13 30.69 1ogc s GLU 92 CO 0.36 -0.32 -0.02 0.42 -0.54 0.00 0.00 175.26 175.17 1ogc s ILE 93 N 2.12 3.90 -0.06 -3.70 1.01 -1.26 -0.90 121.20 122.30 1ogc s ILE 93 Ca 0.37 -0.34 0.05 0.00 0.00 0.00 0.00 60.65 60.73 1ogc s ILE 93 Cb -0.16 -2.74 -0.01 0.00 0.01 0.00 0.00 42.46 39.56 1ogc s ILE 93 CO 0.12 0.46 -0.23 -0.70 0.00 0.00 0.00 174.94 174.59 1ogc s GLU 94 N 0.71 2.64 -0.17 2.79 2.12 -0.20 -4.99 118.70 121.60 1ogc s GLU 94 Ca -0.01 -0.87 -0.04 0.00 0.36 0.00 0.00 54.97 54.41 1ogc s GLU 94 Cb -0.14 -2.22 -0.02 0.00 0.26 0.00 0.00 34.13 32.00 1ogc s GLU 94 CO 0.02 0.38 -0.04 0.71 -0.54 0.00 0.00 175.26 175.79 1ogc s TYR 95 N -0.14 2.99 0.34 5.30 1.51 -1.26 -1.67 117.35 124.42 1ogc s TYR 95 Ca -0.04 -0.47 0.07 0.00 -1.01 0.00 0.00 57.07 55.61 1ogc s TYR 95 Cb -0.14 -2.00 -0.07 0.00 -0.11 0.00 0.00 41.96 39.64 1ogc s TYR 95 CO 0.04 -0.19 -0.01 -0.51 -1.11 0.00 0.00 175.55 173.77 1ogc s LEU 96 N 0.69 2.58 0.61 -1.29 1.43 -0.85 -4.80 118.68 117.06 1ogc s LEU 96 Ca -0.02 -1.30 -0.17 0.00 -1.03 0.00 0.00 54.13 51.62 1ogc s LEU 96 Cb -0.14 -0.72 -0.03 0.00 0.03 0.00 0.00 46.19 45.33 1ogc s LEU 96 CO 0.02 -0.42 1.11 -0.94 0.23 0.00 0.00 176.35 176.36 1ogc s SER 97 N -3.57 5.40 0.49 2.29 1.04 -1.26 0.06 113.70 118.15 1ogc s SER 97 Ca 0.34 2.06 0.20 0.00 0.48 0.00 0.00 55.95 59.03 1ogc s SER 97 Cb 0.07 -2.56 1.25 0.00 0.10 0.00 0.00 66.02 64.87 1ogc s SER 97 CO 0.16 -1.43 1.99 -0.74 0.98 0.00 0.00 173.24 174.20 1ogc h HIS 98 N 0.54 0.18 -0.44 5.02 2.76 -1.92 0.11 115.15 121.40 1ogc h HIS 98 Ca -0.48 0.01 -0.10 0.00 -2.20 0.00 0.00 60.37 57.60 1ogc h HIS 98 Cb 1.25 -0.06 -0.01 0.00 1.55 0.00 0.00 27.41 30.14 1ogc h HIS 98 CO 0.53 0.08 -0.11 0.93 -1.30 0.00 0.00 177.93 178.07 1ogc h GLU 99 N 0.16 0.85 -0.29 5.26 4.39 -2.00 -1.92 114.58 121.03 1ogc h GLU 99 Ca 0.26 -0.33 -0.14 0.00 0.34 0.00 0.00 59.36 59.49 1ogc h GLU 99 Cb 0.80 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.40 1ogc h GLU 99 CO -0.04 0.96 -0.40 0.93 -1.16 0.00 0.00 179.01 179.30 1ogc h GLU 100 N 0.68 0.70 -0.27 2.33 5.08 -1.57 -2.97 114.58 118.57 1ogc h GLU 100 Ca 0.11 -0.36 0.04 0.00 -1.00 0.00 0.00 59.36 58.15 1ogc h GLU 100 Cb 0.65 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.87 1ogc h GLU 100 CO 0.04 0.97 0.02 0.35 -1.00 0.00 0.00 179.01 179.40 1ogc h PHE 101 N 0.58 0.03 -0.75 4.33 3.57 -0.82 -2.06 116.94 121.82 1ogc h PHE 101 Ca 0.05 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.55 1ogc h PHE 101 Cb 0.93 0.03 -0.04 0.00 2.79 0.00 0.00 35.95 39.66 1ogc h PHE 101 CO 0.05 -0.01 0.40 0.87 -2.23 0.00 0.00 178.31 177.38 1ogc h LYS 102 N 0.12 1.04 -0.63 1.11 1.57 -1.29 -1.79 116.57 116.69 1ogc h LYS 102 Ca 0.13 -0.12 -0.02 0.00 -1.87 0.00 0.00 60.65 58.77 1ogc h LYS 102 Cb 0.15 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 32.23 1ogc h LYS 102 CO -0.19 0.76 0.30 -0.07 -0.57 0.00 0.00 179.45 179.68 1ogc h LEU 103 N 1.04 0.81 -1.28 2.94 4.07 -1.28 -2.00 115.31 119.61 1ogc h LEU 103 Ca 0.26 -0.08 -0.06 0.00 0.08 0.00 0.00 57.88 58.07 1ogc h LEU 103 Cb 0.03 -0.21 -0.01 0.00 1.08 0.00 0.00 40.66 41.56 1ogc h LEU 103 CO -0.04 0.69 -0.31 0.25 -1.08 0.00 0.00 178.44 177.95 1ogc h LEU 104 N 0.89 0.00 -1.06 1.67 5.85 -0.65 -2.80 115.31 119.21 1ogc h LEU 104 Ca 0.22 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.94 1ogc h LEU 104 Cb 0.10 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.13 1ogc h LEU 104 CO -0.03 0.31 0.00 0.71 -0.34 0.00 0.00 178.44 179.09 1ogc h THR 105 N 0.00 0.00 0.00 1.05 1.35 -0.92 -2.65 112.91 111.74 1ogc h THR 105 Ca -0.00 -0.16 -0.03 0.00 -0.55 0.00 0.00 66.41 65.67 1ogc h THR 105 Cb 0.69 0.82 -0.00 0.00 -1.73 0.00 0.00 68.15 67.93 1ogc h THR 105 CO 0.04 0.00 -0.15 0.11 -0.25 0.00 0.00 175.52 175.27 1ogc h LYS 106 N 0.00 0.00 -0.17 4.72 1.57 -1.59 -2.45 116.57 118.66 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 0.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.55 1ogc h LYS 106 CO 0.00 0.15 0.00 -0.25 -0.57 0.00 0.00 179.45 178.78 1ogc n ASP 107 N -3.99 2.06 -4.79 0.86 8.00 -1.00 -4.90 116.55 112.80 1ogc n ASP 107 Ca -0.02 -1.75 -0.35 0.00 0.71 0.00 0.00 54.79 53.38 1ogc n ASP 107 Cb 0.23 -0.10 -0.04 0.00 -0.02 0.00 0.00 41.12 41.19 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 -1.79 2.97 -0.16 2.24 0.00 -0.92 -4.66 121.76 119.44 1ogc s ALA 108 Ca 0.34 0.62 0.24 0.00 0.00 0.00 0.00 51.96 53.17 1ogc s ALA 108 Cb 0.19 -3.25 0.64 0.00 0.00 0.00 0.00 23.12 20.70 1ogc s ALA 108 CO 0.29 -0.23 1.71 0.87 0.00 0.00 0.00 175.76 178.40 1ogc h LYS 109 N 1.97 0.00 -1.70 0.00 1.79 -0.80 -3.45 116.57 114.38 1ogc h LYS 109 Ca -0.49 0.00 0.22 0.00 -2.18 0.00 0.00 60.65 58.20 1ogc h LYS 109 Cb 1.21 0.00 -0.17 0.00 -1.58 0.00 0.00 32.23 31.69 1ogc h LYS 109 CO 0.60 0.12 0.72 0.00 -1.08 0.00 0.00 179.45 179.82 1ogc s ALA 110 N -3.36 -2.01 -0.12 3.86 0.00 -1.26 -4.21 121.76 114.67 1ogc s ALA 110 Ca 0.04 1.37 0.01 0.00 0.00 0.00 0.00 51.96 53.39 1ogc s ALA 110 Cb 0.07 0.06 0.02 0.00 0.00 0.00 0.00 23.12 23.27 1ogc s ALA 110 CO 0.65 -0.65 -0.16 0.08 0.00 0.00 0.00 175.76 175.67 1ogc s VAL 111 N -2.62 1.61 -0.32 0.00 1.01 -0.10 -0.91 120.40 119.08 1ogc s VAL 111 Ca 0.09 -0.69 -0.12 0.00 0.00 0.00 0.00 61.98 61.25 1ogc s VAL 111 Cb -0.01 -1.47 -0.03 0.00 0.00 0.00 0.00 36.38 34.87 1ogc s VAL 111 CO -0.06 0.46 0.23 -0.63 0.00 0.00 0.00 175.10 175.10 1ogc s ILE 112 N 1.10 5.29 -0.21 2.22 1.01 0.13 -0.83 121.20 129.90 1ogc s ILE 112 Ca -0.03 -0.04 -0.18 0.00 0.00 0.00 0.00 60.65 60.40 1ogc s ILE 112 Cb -0.14 -3.64 -0.03 0.00 0.01 0.00 0.00 42.46 38.65 1ogc s ILE 112 CO -0.04 0.09 0.48 -0.60 0.00 0.00 0.00 174.94 174.88 1ogc s ARG 113 N 1.75 4.17 0.57 2.79 3.52 0.66 -0.41 118.95 132.00 1ogc s ARG 113 Ca 0.07 0.34 0.09 0.00 -0.13 0.00 0.00 55.73 56.10 1ogc s ARG 113 Cb -0.17 -3.57 0.08 0.00 -1.56 0.00 0.00 34.95 29.73 1ogc s ARG 113 CO 0.11 -0.14 0.72 0.95 -0.81 0.00 0.00 175.30 176.12 1ogc s THR 114 N 1.63 2.05 -1.60 4.11 -4.23 -0.35 -1.03 115.64 116.21 1ogc s THR 114 Ca 0.22 -1.09 0.14 0.00 -1.18 0.00 0.00 61.69 59.78 1ogc s THR 114 Cb -0.15 -2.14 0.47 0.00 1.34 0.00 0.00 72.50 72.01 1ogc s THR 114 CO 0.09 0.00 1.36 0.61 -0.54 0.00 0.00 174.62 176.14 1ogc n GLY 115 N -2.15 1.63 3.66 3.99 0.00 0.40 -3.60 105.19 109.12 1ogc n GLY 115 Ca 0.12 -0.56 -0.42 0.00 0.00 0.00 0.00 46.02 45.17 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 -1.56 4.15 -0.56 1.61 2.56 -1.23 0.80 118.70 124.48 1ogc s GLU 116 Ca 0.34 2.48 0.01 0.00 0.00 0.00 0.00 54.97 57.81 1ogc s GLU 116 Cb 0.20 -4.03 0.44 0.00 2.00 0.00 0.00 34.13 32.74 1ogc s GLU 116 CO 0.19 -0.90 1.74 1.19 -0.56 0.00 0.00 175.26 176.92 1ogc n PHE 117 N 7.15 3.08 -4.55 5.30 3.01 -1.26 -1.25 117.46 128.94 1ogc n PHE 117 Ca 0.19 -2.73 -0.22 0.00 1.01 0.00 0.00 57.45 55.70 1ogc n PHE 117 Cb 0.41 -1.03 -0.14 0.00 -0.01 0.00 0.00 39.48 38.72 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 -4.82 1.26 0.27 4.37 -4.23 -1.26 -5.07 115.64 106.16 1ogc s THR 118 Ca 0.59 -0.91 -0.29 0.00 -1.18 0.00 0.00 61.69 59.89 1ogc s THR 118 Cb 0.47 -1.10 -0.14 0.00 1.34 0.00 0.00 72.50 73.07 1ogc s THR 118 CO -0.04 0.17 1.12 -2.65 -0.54 0.00 0.00 174.62 172.68 1ogc n PRO 119 N 2.19 1.50 -2.33 3.99 -0.02 -1.26 -3.27 135.00 135.80 1ogc n PRO 119 Ca -0.16 0.53 -0.12 0.00 -2.02 0.00 0.00 63.50 61.73 1ogc n PRO 119 Cb 0.54 -1.98 -0.01 0.00 -0.02 0.00 0.00 33.50 32.03 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 0.67 -1.35 -1.92 6.00 4.02 -1.26 -4.61 117.16 118.72 1ogc n TYR 120 Ca 0.10 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.57 1ogc n TYR 120 Cb 0.31 -2.63 -0.00 0.00 -0.02 0.00 0.00 39.34 37.00 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 -1.97 5.72 -2.87 -0.72 0.00 -1.20 -4.69 120.51 114.78 1ogc n ALA 121 Ca -0.14 -4.01 -0.09 0.00 0.00 0.00 0.00 53.44 49.20 1ogc n ALA 121 Cb 0.58 -3.29 -0.10 0.00 0.00 0.00 0.00 19.45 16.64 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 2.14 0.20 0.09 0.00 -0.87 -1.26 -2.24 114.94 113.01 1ogc s ASN 122 Ca 0.47 -0.49 -0.23 0.00 -1.57 0.00 0.00 52.86 51.03 1ogc s ASN 122 Cb 0.13 0.16 0.06 0.00 -0.02 0.00 0.00 41.25 41.58 1ogc s ASN 122 CO -0.05 -0.39 0.57 0.00 -2.57 0.00 0.00 177.10 174.66 1ogc s ILE 124 N -3.00 3.62 -0.24 0.00 1.01 0.30 -1.28 121.20 121.60 1ogc s ILE 124 Ca -0.02 -0.44 -0.10 0.00 0.00 0.00 0.00 60.65 60.09 1ogc s ILE 124 Cb -0.00 -2.60 -0.05 0.00 0.01 0.00 0.00 42.46 39.82 1ogc s ILE 124 CO -0.06 0.47 0.15 -0.76 0.00 0.00 0.00 174.94 174.74 1ogc s LEU 125 N 0.76 4.04 -0.34 2.97 1.43 -0.30 -1.35 118.68 125.88 1ogc s LEU 125 Ca -0.02 0.07 -0.11 0.00 -1.03 0.00 0.00 54.13 53.04 1ogc s LEU 125 Cb -0.15 -2.09 0.00 0.00 0.03 0.00 0.00 46.19 43.99 1ogc s LEU 125 CO 0.02 0.05 0.20 -1.58 0.23 0.00 0.00 176.35 175.27 1ogc s GLN 126 N 1.15 3.23 0.28 1.70 0.74 -0.21 -2.17 119.66 124.38 1ogc s GLN 126 Ca 0.07 -0.80 -0.29 0.00 0.05 0.00 0.00 55.36 54.38 1ogc s GLN 126 Cb -0.14 -3.69 -0.13 0.00 1.10 0.00 0.00 33.01 30.15 1ogc s GLN 126 CO 0.05 -0.51 1.25 0.00 -0.55 0.00 0.00 175.29 175.53 1ogc n ALA 127 N 5.03 0.72 -2.57 1.58 0.00 -0.03 -1.40 120.51 123.85 1ogc n ALA 127 Ca -0.13 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.70 1ogc n ALA 127 Cb 0.48 -2.19 0.00 0.00 0.00 0.00 0.00 19.45 17.75 1ogc n ALA 127 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ogc n GLY 128 N 1.40 2.55 3.36 0.00 0.00 0.23 -1.20 105.19 111.53 1ogc n GLY 128 Ca 0.09 -2.08 -0.25 0.00 0.00 0.00 0.00 46.02 43.77 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 1.36 2.03 -2.13 1.61 0.11 -1.26 -4.40 120.40 117.72 1ogc s VAL 129 Ca 0.00 -1.82 0.16 0.00 -2.93 0.00 0.00 61.98 57.39 1ogc s VAL 129 Cb 0.00 -1.88 0.38 0.00 -1.53 0.00 0.00 36.38 33.36 1ogc s VAL 129 CO 0.00 -0.11 1.43 0.18 -3.33 0.00 0.00 175.10 173.28 1ogc n LEU 130 N 0.62 1.41 0.00 2.54 4.77 -1.26 -5.07 117.00 120.01 1ogc n LEU 130 Ca -0.16 -0.64 0.00 0.00 -0.03 0.00 0.00 56.01 55.19 1ogc n LEU 130 Cb 0.55 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 1ogc n LEU 130 CO 0.26 0.32 0.00 2.22 -1.33 0.00 0.00 177.39 178.86