#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ogd s LYS 2 N 0.00 4.34 0.01 0.03 2.20 -1.26 -4.94 119.74 120.12 1ogd s LYS 2 Ca 0.00 2.05 -0.06 0.00 -0.36 0.00 0.00 55.97 57.61 1ogd s LYS 2 Cb 0.00 -3.24 -0.29 0.00 -1.51 0.00 0.00 37.83 32.79 1ogd s LYS 2 CO 0.00 -0.39 0.88 0.87 -0.36 0.00 0.00 175.35 176.35 1ogd h LYS 3 N 6.52 0.30 -5.63 4.03 1.57 -2.05 -3.48 116.57 117.83 1ogd h LYS 3 Ca -0.43 -0.52 -0.57 0.00 -1.87 0.00 0.00 60.65 57.27 1ogd h LYS 3 Cb 1.21 0.19 -0.13 0.00 0.08 0.00 0.00 32.23 33.58 1ogd h LYS 3 CO 0.84 1.19 -0.64 -1.01 -0.57 0.00 0.00 179.45 179.26 1ogd s HIS 4 N -2.61 2.27 0.00 -1.35 3.76 -1.26 -5.10 115.29 111.00 1ogd s HIS 4 Ca -0.09 -0.68 0.00 0.00 -0.15 0.00 0.00 55.06 54.14 1ogd s HIS 4 Cb 0.06 -1.44 0.00 0.00 1.11 0.00 0.00 32.58 32.31 1ogd s HIS 4 CO 0.87 0.38 0.00 0.41 -0.85 0.00 0.00 174.74 175.54 1ogd n GLY 5 N -0.79 -2.81 3.77 -2.22 0.00 -1.26 -4.94 105.19 96.94 1ogd n GLY 5 Ca -0.05 -1.80 -0.41 0.00 0.00 0.00 0.00 46.02 43.77 1ogd n GLY 5 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1ogd s ILE 6 N -0.63 2.28 0.18 -0.61 2.07 -1.26 -4.94 121.20 118.28 1ogd s ILE 6 Ca 0.00 0.27 -0.04 0.00 -1.41 0.00 0.00 60.65 59.48 1ogd s ILE 6 Cb 0.00 -3.17 -0.08 0.00 0.13 0.00 0.00 42.46 39.34 1ogd s ILE 6 CO 0.00 0.06 1.46 0.25 -1.91 0.00 0.00 174.94 174.80 1ogd h LEU 7 N 2.93 0.61 -9.36 8.50 5.85 -2.00 -3.45 115.31 118.40 1ogd h LEU 7 Ca -0.50 -0.36 -0.54 0.00 0.84 0.00 0.00 57.88 57.32 1ogd h LEU 7 Cb 1.24 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 42.10 1ogd h LEU 7 CO 0.64 1.09 0.97 0.21 -0.34 0.00 0.00 178.44 181.00 1ogd s ASN 8 N -6.96 6.71 0.22 1.25 3.84 -1.26 -4.92 114.94 113.82 1ogd s ASN 8 Ca -0.07 2.27 -0.07 0.00 0.21 0.00 0.00 52.86 55.19 1ogd s ASN 8 Cb 0.11 -2.55 0.17 0.00 -0.55 0.00 0.00 41.25 38.43 1ogd s ASN 8 CO 0.85 -0.84 1.79 0.77 -2.79 0.00 0.00 177.10 176.87 1ogd h SER 9 N 8.53 1.11 -0.29 -4.21 4.64 -2.00 -0.66 113.55 120.67 1ogd h SER 9 Ca -0.40 -0.17 -0.03 0.00 -0.47 0.00 0.00 61.79 60.73 1ogd h SER 9 Cb 1.18 -0.29 -0.01 0.00 -0.31 0.00 0.00 62.40 62.98 1ogd h SER 9 CO 0.93 0.97 0.07 0.45 -0.87 0.00 0.00 176.83 178.37 1ogd h HIS 10 N 1.18 0.49 -0.43 4.77 3.86 -1.99 -2.87 115.15 120.16 1ogd h HIS 10 Ca 0.27 -0.06 -0.10 0.00 -1.16 0.00 0.00 60.37 59.32 1ogd h HIS 10 Cb 0.20 -0.14 -0.02 0.00 1.06 0.00 0.00 27.41 28.52 1ogd h HIS 10 CO 0.02 0.54 -0.13 -0.07 0.86 0.00 0.00 177.93 179.15 1ogd h LEU 11 N 0.30 0.79 -0.77 2.43 3.38 -1.93 -2.95 115.31 116.56 1ogd h LEU 11 Ca 0.09 -0.24 0.04 0.00 0.09 0.00 0.00 57.88 57.85 1ogd h LEU 11 Cb 0.30 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.79 1ogd h LEU 11 CO 0.00 0.93 0.48 0.00 0.09 0.00 0.00 178.44 179.94 1ogd h ALA 12 N 1.14 1.02 -0.65 1.53 0.00 -1.04 -0.22 119.26 121.04 1ogd h ALA 12 Ca 0.12 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1ogd h ALA 12 Cb 0.62 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 1ogd h ALA 12 CO 0.04 0.27 0.25 0.87 0.00 0.00 0.00 179.25 180.68 1ogd h LYS 13 N 0.93 0.96 -0.14 0.00 1.57 -1.34 -0.40 116.57 118.14 1ogd h LYS 13 Ca 0.32 -0.16 -0.07 0.00 -1.87 0.00 0.00 60.65 58.86 1ogd h LYS 13 Cb 0.05 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.20 1ogd h LYS 13 CO -0.13 0.79 -0.19 0.82 -0.57 0.00 0.00 179.45 180.17 1ogd h ILE 14 N 0.94 1.36 -0.57 1.86 1.08 -1.24 -3.16 117.51 117.77 1ogd h ILE 14 Ca 0.22 -1.40 -0.03 0.00 -0.39 0.00 0.00 64.86 63.26 1ogd h ILE 14 Cb 0.19 1.95 -0.03 0.00 -3.07 0.00 0.00 36.82 35.87 1ogd h ILE 14 CO -0.02 0.41 0.25 -0.07 -0.69 0.00 0.00 178.15 178.03 1ogd h LEU 15 N -0.01 0.73 -1.41 1.44 3.38 -0.85 -2.53 115.31 116.06 1ogd h LEU 15 Ca 0.02 -0.08 0.08 0.00 0.09 0.00 0.00 57.88 57.98 1ogd h LEU 15 Cb 0.75 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 41.27 1ogd h LEU 15 CO 0.04 0.64 0.47 0.00 0.09 0.00 0.00 178.44 179.69 1ogd h ALA 16 N 1.47 1.76 -0.01 1.53 0.00 -1.04 -2.15 119.26 120.82 1ogd h ALA 16 Ca 0.20 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1ogd h ALA 16 Cb 0.12 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1ogd h ALA 16 CO -0.02 0.11 -0.07 -0.25 0.00 0.00 0.00 179.25 179.01 1ogd n ASP 17 N -4.49 1.42 -4.74 0.00 8.00 -0.96 -4.94 116.55 110.85 1ogd n ASP 17 Ca 0.11 -1.35 -0.42 0.00 0.71 0.00 0.00 54.79 53.84 1ogd n ASP 17 Cb 0.27 0.04 -0.02 0.00 -0.02 0.00 0.00 41.12 41.39 1ogd n ASP 17 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1ogd s LEU 18 N -2.13 4.38 0.40 0.64 1.43 -0.81 -5.02 118.68 117.56 1ogd s LEU 18 Ca 0.34 2.65 0.06 0.00 -1.03 0.00 0.00 54.13 56.15 1ogd s LEU 18 Cb 0.20 -3.61 -0.07 0.00 0.03 0.00 0.00 46.19 42.74 1ogd s LEU 18 CO 0.38 -0.74 0.02 -0.83 0.23 0.00 0.00 176.35 175.42 1ogd s GLY 19 N 0.59 2.46 0.05 -3.19 0.00 -1.26 -5.04 107.32 100.93 1ogd s GLY 19 Ca 0.62 -2.12 -0.35 0.00 0.00 0.00 0.00 44.72 42.87 1ogd s GLY 19 CO 0.40 -2.05 1.66 1.57 0.00 0.00 0.00 173.10 174.68 1ogd n HIS 20 N -0.93 2.20 -0.24 1.90 -0.00 -1.26 -1.85 115.22 115.04 1ogd n HIS 20 Ca -0.05 0.23 0.00 0.00 0.46 0.00 0.00 57.72 58.36 1ogd n HIS 20 Cb 0.67 -2.56 0.00 0.00 -0.12 0.00 0.00 29.99 27.98 1ogd n HIS 20 CO 0.00 0.00 0.00 0.25 0.46 0.00 0.00 176.34 177.05 1ogd n THR 21 N 3.92 0.00 -1.81 3.57 -2.24 -0.16 -5.00 114.28 112.57 1ogd n THR 21 Ca 0.19 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.62 1ogd n THR 21 Cb 0.27 0.00 0.06 0.00 -2.10 0.00 0.00 70.33 68.56 1ogd n THR 21 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1ogd s ASP 22 N -3.34 4.82 0.07 3.42 1.01 -0.77 -4.53 116.67 117.34 1ogd s ASP 22 Ca 0.00 2.43 0.08 0.00 0.71 0.00 0.00 52.55 55.77 1ogd s ASP 22 Cb 0.00 -2.60 -0.03 0.00 1.01 0.00 0.00 42.92 41.30 1ogd s ASP 22 CO 0.00 -1.85 -0.22 -0.54 0.21 0.00 0.00 175.17 172.77 1ogd s LYS 23 N -3.50 1.40 0.09 8.23 1.02 -1.26 -0.63 119.74 125.10 1ogd s LYS 23 Ca 0.78 -1.06 0.05 0.00 0.02 0.00 0.00 55.97 55.75 1ogd s LYS 23 Cb -0.32 -1.60 -0.03 0.00 -0.52 0.00 0.00 37.83 35.36 1ogd s LYS 23 CO 0.38 0.40 -0.13 0.96 -0.92 0.00 0.00 175.35 176.04 1ogd s ILE 24 N -0.91 1.10 -0.06 2.17 -4.36 -0.79 -0.19 121.20 118.16 1ogd s ILE 24 Ca 0.09 -1.53 0.04 0.00 -0.26 0.00 0.00 60.65 58.99 1ogd s ILE 24 Cb -0.09 -1.28 -0.02 0.00 1.25 0.00 0.00 42.46 42.31 1ogd s ILE 24 CO 0.03 -0.39 -0.18 -0.69 0.24 0.00 0.00 174.94 173.94 1ogd s VAL 25 N -1.90 2.69 -0.17 8.37 1.01 -0.07 -1.32 120.40 129.01 1ogd s VAL 25 Ca 0.03 -0.85 -0.04 0.00 0.00 0.00 0.00 61.98 61.12 1ogd s VAL 25 Cb -0.06 -2.03 -0.03 0.00 0.00 0.00 0.00 36.38 34.26 1ogd s VAL 25 CO 0.02 0.58 -0.03 -0.63 0.00 0.00 0.00 175.10 175.04 1ogd s ILE 26 N -0.46 3.88 0.09 2.22 1.01 -0.66 0.71 121.20 128.00 1ogd s ILE 26 Ca 0.05 -0.35 0.02 0.00 0.00 0.00 0.00 60.65 60.38 1ogd s ILE 26 Cb -0.12 -2.72 -0.04 0.00 0.01 0.00 0.00 42.46 39.60 1ogd s ILE 26 CO 0.01 0.47 -0.08 0.00 0.00 0.00 0.00 174.94 175.35 1ogd s ALA 27 N 0.56 0.96 0.95 9.38 0.00 0.63 -1.86 121.76 132.38 1ogd s ALA 27 Ca -0.02 -1.22 -0.15 0.00 0.00 0.00 0.00 51.96 50.57 1ogd s ALA 27 Cb -0.14 0.10 0.18 0.00 0.00 0.00 0.00 23.12 23.26 1ogd s ALA 27 CO 0.02 -0.15 1.26 0.16 0.00 0.00 0.00 175.76 177.06 1ogd s ASP 28 N -2.66 3.26 0.02 0.00 3.84 -1.04 -0.94 116.67 119.16 1ogd s ASP 28 Ca 0.07 0.46 0.08 0.00 -0.00 0.00 0.00 52.55 53.15 1ogd s ASP 28 Cb 0.01 -0.65 0.34 0.00 -1.38 0.00 0.00 42.92 41.23 1ogd s ASP 28 CO -0.03 -2.66 1.24 0.00 -0.00 0.00 0.00 175.17 173.73 1ogd n ALA 29 N -3.75 1.30 0.56 2.11 0.00 -0.69 -3.25 120.51 116.79 1ogd n ALA 29 Ca 0.13 -0.01 0.06 0.00 0.00 0.00 0.00 53.44 53.62 1ogd n ALA 29 Cb 0.60 -1.12 -0.06 0.00 0.00 0.00 0.00 19.45 18.86 1ogd n ALA 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ogd n GLY 30 N -0.82 -0.12 3.72 0.00 0.00 -1.26 -5.00 105.19 101.70 1ogd n GLY 30 Ca 0.01 -0.34 -0.42 0.00 0.00 0.00 0.00 46.02 45.27 1ogd n GLY 30 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ogd s LEU 31 N -2.50 4.37 0.39 0.99 2.96 -1.20 -4.96 118.68 118.73 1ogd s LEU 31 Ca 0.05 2.77 -0.24 0.00 -0.22 0.00 0.00 54.13 56.50 1ogd s LEU 31 Cb 0.09 -3.60 -0.10 0.00 0.50 0.00 0.00 46.19 43.09 1ogd s LEU 31 CO 0.47 -0.91 1.00 -2.16 -1.32 0.00 0.00 176.35 173.44 1ogd s PRO 32 N 1.06 4.25 -0.23 0.98 0.04 -1.26 -5.00 135.00 134.84 1ogd s PRO 32 Ca 0.72 1.38 -0.09 0.00 0.04 0.00 0.00 61.00 63.06 1ogd s PRO 32 Cb -0.47 -2.51 -0.04 0.00 0.04 0.00 0.00 34.50 31.52 1ogd s PRO 32 CO 0.33 -0.04 0.10 0.08 0.04 0.00 0.00 177.00 177.51 1ogd s VAL 33 N -1.77 4.84 0.53 -0.36 1.01 -1.26 -5.07 120.40 118.32 1ogd s VAL 33 Ca 0.57 -0.00 -0.22 0.00 0.00 0.00 0.00 61.98 62.34 1ogd s VAL 33 Cb -0.18 -3.24 -0.06 0.00 0.00 0.00 0.00 36.38 32.90 1ogd s VAL 33 CO 0.23 0.36 1.24 -2.65 0.00 0.00 0.00 175.10 174.29 1ogd n PRO 34 N 4.37 1.52 -1.85 2.72 -0.02 -1.26 -4.91 135.00 135.57 1ogd n PRO 34 Ca -0.16 0.56 -0.41 0.00 -2.02 0.00 0.00 63.50 61.47 1ogd n PRO 34 Cb 0.52 -2.43 -0.02 0.00 -0.02 0.00 0.00 33.50 31.56 1ogd n PRO 34 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1ogd s ASP 35 N -0.93 6.45 0.00 2.55 -0.00 -1.26 -2.15 116.67 121.34 1ogd s ASP 35 Ca 0.71 2.88 0.00 0.00 -0.00 0.00 0.00 52.55 56.14 1ogd s ASP 35 Cb -0.44 -2.64 0.00 0.00 -0.00 0.00 0.00 42.92 39.84 1ogd s ASP 35 CO 0.50 -0.84 0.00 0.61 -0.00 0.00 0.00 175.17 175.44 1ogd n GLY 36 N 1.86 1.12 3.75 0.21 0.00 -1.26 -5.04 105.19 105.82 1ogd n GLY 36 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 1ogd n GLY 36 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ogd s VAL 37 N -2.38 5.34 0.27 1.61 1.01 -0.91 -5.05 120.40 120.29 1ogd s VAL 37 Ca 0.00 0.42 -0.30 0.00 0.00 0.00 0.00 61.98 62.10 1ogd s VAL 37 Cb 0.00 -3.57 -0.10 0.00 0.00 0.00 0.00 36.38 32.71 1ogd s VAL 37 CO 0.00 0.43 1.46 -0.22 0.00 0.00 0.00 175.10 176.77 1ogd s LEU 38 N 0.24 4.38 -0.17 3.92 2.96 -1.26 -4.86 118.68 123.89 1ogd s LEU 38 Ca 0.14 2.74 0.00 0.00 -0.22 0.00 0.00 54.13 56.80 1ogd s LEU 38 Cb -0.12 -3.63 0.01 0.00 0.50 0.00 0.00 46.19 42.94 1ogd s LEU 38 CO 0.02 -0.74 -0.17 -0.75 -1.32 0.00 0.00 176.35 173.40 1ogd s LYS 39 N -0.62 3.13 -0.29 1.98 2.20 -1.26 -0.54 119.74 124.33 1ogd s LYS 39 Ca 0.59 -0.78 -0.02 0.00 -0.36 0.00 0.00 55.97 55.40 1ogd s LYS 39 Cb -0.43 -2.62 0.04 0.00 -1.51 0.00 0.00 37.83 33.31 1ogd s LYS 39 CO 0.46 -0.09 -0.02 0.42 -0.36 0.00 0.00 175.35 175.76 1ogd s ILE 40 N 1.06 2.95 -0.42 5.43 1.01 -0.26 -4.97 121.20 125.99 1ogd s ILE 40 Ca -0.01 -1.29 -0.16 0.00 0.00 0.00 0.00 60.65 59.19 1ogd s ILE 40 Cb -0.14 -2.64 0.02 0.00 0.01 0.00 0.00 42.46 39.70 1ogd s ILE 40 CO -0.05 -0.02 0.37 -0.62 0.00 0.00 0.00 174.94 174.62 1ogd s ASP 41 N 1.27 6.15 0.00 3.58 3.68 -1.26 -0.80 116.67 129.29 1ogd s ASP 41 Ca -0.04 -0.78 0.23 0.00 2.13 0.00 0.00 52.55 54.09 1ogd s ASP 41 Cb -0.19 -2.19 0.05 0.00 -1.45 0.00 0.00 42.92 39.14 1ogd s ASP 41 CO -0.02 -0.52 1.11 0.18 0.13 0.00 0.00 175.17 176.05 1ogd n LEU 42 N 5.39 1.37 -4.70 -1.34 4.77 -0.26 -4.96 117.00 117.27 1ogd n LEU 42 Ca -0.09 -0.52 -0.39 0.00 -0.03 0.00 0.00 56.01 54.98 1ogd n LEU 42 Cb 0.47 -0.04 0.04 0.00 -2.33 0.00 0.00 43.42 41.56 1ogd n LEU 42 CO 0.44 0.28 0.86 -1.54 -1.33 0.00 0.00 177.39 176.10 1ogd n SER 43 N -0.80 2.24 0.00 -1.43 3.41 -1.16 -4.38 113.62 111.50 1ogd n SER 43 Ca 0.07 0.98 0.00 0.00 -0.26 0.00 0.00 58.87 59.66 1ogd n SER 43 Cb 0.39 -1.51 0.00 0.00 -0.26 0.00 0.00 64.21 62.82 1ogd n SER 43 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1ogd n LEU 44 N -0.60 1.43 -3.73 1.04 7.94 0.72 -4.92 117.00 118.88 1ogd n LEU 44 Ca 0.10 0.00 -0.07 0.00 -1.11 0.00 0.00 56.01 54.93 1ogd n LEU 44 Cb 0.44 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 44.37 1ogd n LEU 44 CO 0.54 0.23 0.55 -1.59 -1.11 0.00 0.00 177.39 176.01 1ogd s LYS 45 N -1.99 1.46 -0.06 1.96 -2.85 -1.02 -5.04 119.74 112.19 1ogd s LYS 45 Ca 0.00 -0.75 -0.38 0.00 -1.00 0.00 0.00 55.97 53.84 1ogd s LYS 45 Cb 0.00 0.53 -0.16 0.00 -2.06 0.00 0.00 37.83 36.14 1ogd s LYS 45 CO 0.00 -0.66 1.56 -2.30 0.10 0.00 0.00 175.35 174.05 1ogd n PRO 46 N -0.43 1.31 -0.51 1.78 -0.02 -1.26 -0.48 135.00 135.39 1ogd n PRO 46 Ca -0.07 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 1ogd n PRO 46 Cb 0.61 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.92 1ogd n PRO 46 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ogd n GLY 47 N 3.39 1.38 2.78 -1.23 0.00 0.11 -4.99 105.19 106.64 1ogd n GLY 47 Ca 0.22 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.96 1ogd n GLY 47 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ogd s LEU 48 N 0.00 1.31 0.49 0.99 0.20 0.37 -2.81 118.68 119.23 1ogd s LEU 48 Ca 0.00 -0.75 -0.09 0.00 0.69 0.00 0.00 54.13 53.98 1ogd s LEU 48 Cb 0.00 -0.68 -0.05 0.00 -0.43 0.00 0.00 46.19 45.03 1ogd s LEU 48 CO 0.00 -0.27 0.85 -2.16 -0.29 0.00 0.00 176.35 174.48 1ogd s PRO 49 N 1.80 3.65 0.59 0.98 0.04 -1.26 -0.20 135.00 140.59 1ogd s PRO 49 Ca -0.01 0.45 -0.11 0.00 0.04 0.00 0.00 61.00 61.38 1ogd s PRO 49 Cb -0.16 -2.30 -0.04 0.00 0.04 0.00 0.00 34.50 32.04 1ogd s PRO 49 CO -0.07 -0.25 1.00 0.00 0.04 0.00 0.00 177.00 177.72 1ogd s ALA 50 N -2.73 3.14 0.20 8.56 0.00 -1.12 -0.90 121.76 128.89 1ogd s ALA 50 Ca 0.51 -0.12 -0.11 0.00 0.00 0.00 0.00 51.96 52.24 1ogd s ALA 50 Cb -0.10 -3.02 0.18 0.00 0.00 0.00 0.00 23.12 20.17 1ogd s ALA 50 CO 0.42 -0.61 1.81 0.35 0.00 0.00 0.00 175.76 177.73 1ogd h PHE 51 N -0.16 0.64 -0.42 0.00 3.57 -1.94 -2.32 116.94 116.32 1ogd h PHE 51 Ca -0.45 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.07 1ogd h PHE 51 Cb 1.19 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 39.71 1ogd h PHE 51 CO 0.65 0.33 0.24 1.96 -2.23 0.00 0.00 178.31 179.26 1ogd h GLN 52 N 0.66 0.57 -0.46 1.11 4.20 -1.98 -0.34 115.11 118.87 1ogd h GLN 52 Ca 0.26 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.89 1ogd h GLN 52 Cb 0.11 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.75 1ogd h GLN 52 CO -0.14 0.44 0.22 -0.44 -0.67 0.00 0.00 178.83 178.23 1ogd h ASP 53 N 0.54 0.60 -0.18 1.46 5.19 -1.90 -1.54 116.42 120.60 1ogd h ASP 53 Ca 0.15 -0.13 -0.02 0.00 -0.62 0.00 0.00 57.03 56.41 1ogd h ASP 53 Cb 0.02 -0.15 -0.01 0.00 0.18 0.00 0.00 39.33 39.37 1ogd h ASP 53 CO -0.03 0.56 0.03 0.74 -3.12 0.00 0.00 179.24 177.43 1ogd h THR 54 N 0.60 1.22 -0.66 0.35 2.02 -1.25 -2.41 112.91 112.77 1ogd h THR 54 Ca 0.16 -0.70 -0.01 0.00 0.77 0.00 0.00 66.41 66.63 1ogd h THR 54 Cb 0.13 1.33 -0.03 0.00 -1.74 0.00 0.00 68.15 67.84 1ogd h THR 54 CO -0.02 0.21 0.35 0.00 0.37 0.00 0.00 175.52 176.44 1ogd h ALA 55 N 0.83 1.38 -0.29 6.16 0.00 -1.00 -2.13 119.26 124.22 1ogd h ALA 55 Ca 0.06 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1ogd h ALA 55 Cb 0.29 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1ogd h ALA 55 CO 0.00 0.50 0.06 0.00 0.00 0.00 0.00 179.25 179.82 1ogd h ALA 56 N 1.47 0.38 -0.54 0.00 0.00 -1.15 -1.18 119.26 118.24 1ogd h ALA 56 Ca 0.23 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1ogd h ALA 56 Cb 0.03 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1ogd h ALA 56 CO -0.04 0.05 0.28 0.28 0.00 0.00 0.00 179.25 179.82 1ogd h VAL 57 N 0.30 1.19 -0.64 0.00 2.07 -1.20 -2.65 116.25 115.33 1ogd h VAL 57 Ca 0.09 -0.53 -0.08 0.00 0.82 0.00 0.00 66.70 67.00 1ogd h VAL 57 Cb 0.31 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 30.60 1ogd h VAL 57 CO 0.00 0.21 0.09 -0.07 0.02 0.00 0.00 177.57 177.83 1ogd h LEU 58 N 0.73 1.02 -1.36 2.57 -0.00 -1.31 -2.51 115.31 114.45 1ogd h LEU 58 Ca 0.19 -0.27 0.04 0.00 -0.00 0.00 0.00 57.88 57.84 1ogd h LEU 58 Cb 0.09 -0.27 -0.04 0.00 -0.00 0.00 0.00 40.66 40.44 1ogd h LEU 58 CO -0.03 1.03 0.47 0.00 -0.00 0.00 0.00 178.44 179.91 1ogd h ALA 59 N 1.03 1.63 0.00 1.53 0.00 -1.02 0.20 119.26 122.62 1ogd h ALA 59 Ca 0.19 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.00 1ogd h ALA 59 Cb 0.45 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1ogd h ALA 59 CO 0.01 0.29 -0.33 1.49 0.00 0.00 0.00 179.25 180.71 1ogd h GLU 60 N 0.82 0.00 -0.00 0.00 4.57 -1.20 -3.33 114.58 115.44 1ogd h GLU 60 Ca 0.29 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.47 1ogd h GLU 60 Cb 0.12 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.71 1ogd h GLU 60 CO -0.09 0.33 -0.63 0.39 -1.18 0.00 0.00 179.01 177.83 1ogd n GLU 61 N -3.29 2.36 -4.67 1.92 -0.58 -0.64 -4.99 120.64 110.75 1ogd n GLU 61 Ca 0.01 -0.05 -0.24 0.00 -0.42 0.00 0.00 57.16 56.46 1ogd n GLU 61 Cb 0.58 -1.16 -0.15 0.00 -0.57 0.00 0.00 31.44 30.14 1ogd n GLU 61 CO 0.00 0.00 0.00 1.41 -0.48 0.00 0.00 177.13 178.06 1ogd s MET 62 N -2.28 1.27 -0.46 3.49 1.75 0.59 -4.95 119.30 118.72 1ogd s MET 62 Ca 0.06 -0.69 -0.24 0.00 -1.25 0.00 0.00 55.69 53.56 1ogd s MET 62 Cb 0.11 -1.27 0.03 0.00 2.84 0.00 0.00 34.83 36.54 1ogd s MET 62 CO 0.56 0.34 0.86 0.00 -0.65 0.00 0.00 175.02 176.12 1ogd s ALA 63 N -0.55 3.26 -0.22 4.11 0.00 -1.26 -4.69 121.76 122.40 1ogd s ALA 63 Ca 0.06 -0.90 -0.08 0.00 0.00 0.00 0.00 51.96 51.04 1ogd s ALA 63 Cb -0.07 -3.56 -0.04 0.00 0.00 0.00 0.00 23.12 19.45 1ogd s ALA 63 CO 0.00 -2.00 0.08 0.08 0.00 0.00 0.00 175.76 173.92 1ogd s VAL 64 N 3.53 4.64 -0.04 0.00 1.01 -1.26 0.51 120.40 128.80 1ogd s VAL 64 Ca 0.33 -0.07 0.22 0.00 0.00 0.00 0.00 61.98 62.46 1ogd s VAL 64 Cb -0.11 -3.14 -0.33 0.00 0.00 0.00 0.00 36.38 32.80 1ogd s VAL 64 CO 0.25 0.39 0.49 -1.84 0.00 0.00 0.00 175.10 174.38 1ogd n GLU 65 N 4.28 0.66 -3.64 2.72 0.28 -0.48 -4.77 120.64 119.69 1ogd n GLU 65 Ca -0.16 -0.19 -0.15 0.00 -0.16 0.00 0.00 57.16 56.49 1ogd n GLU 65 Cb 0.52 -1.53 -0.08 0.00 1.43 0.00 0.00 31.44 31.79 1ogd n GLU 65 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 177.13 177.18 1ogd s LYS 66 N -3.51 0.83 -0.05 3.44 2.20 -1.21 -3.52 119.74 117.92 1ogd s LYS 66 Ca -0.08 0.31 0.05 0.00 -0.36 0.00 0.00 55.97 55.89 1ogd s LYS 66 Cb 0.14 0.39 -0.01 0.00 -1.51 0.00 0.00 37.83 36.84 1ogd s LYS 66 CO 0.91 -0.21 -0.20 0.08 -0.36 0.00 0.00 175.35 175.57 1ogd s VAL 67 N -0.74 1.62 -0.04 4.02 1.01 0.32 -1.34 120.40 125.24 1ogd s VAL 67 Ca -0.08 -0.83 0.06 0.00 0.00 0.00 0.00 61.98 61.14 1ogd s VAL 67 Cb -0.03 -1.38 -0.01 0.00 0.00 0.00 0.00 36.38 34.96 1ogd s VAL 67 CO 0.05 0.46 -0.23 -0.63 0.00 0.00 0.00 175.10 174.75 1ogd s ILE 68 N -0.04 1.88 0.16 2.22 1.01 -0.25 -0.85 121.20 125.33 1ogd s ILE 68 Ca -0.03 -0.99 -0.08 0.00 0.00 0.00 0.00 60.65 59.55 1ogd s ILE 68 Cb -0.12 -1.58 -0.01 0.00 0.01 0.00 0.00 42.46 40.76 1ogd s ILE 68 CO 0.03 0.53 0.25 0.00 0.00 0.00 0.00 174.94 175.74 1ogd s ALA 69 N -0.28 0.11 -0.02 9.38 0.00 -0.16 -0.38 121.76 130.41 1ogd s ALA 69 Ca 0.01 -0.95 -0.23 0.00 0.00 0.00 0.00 51.96 50.79 1ogd s ALA 69 Cb -0.12 0.85 -0.05 0.00 0.00 0.00 0.00 23.12 23.81 1ogd s ALA 69 CO 0.02 -0.62 0.69 0.00 0.00 0.00 0.00 175.76 175.85 1ogd s ALA 70 N -3.97 3.38 0.46 0.00 0.00 -1.26 -1.14 121.76 119.23 1ogd s ALA 70 Ca 0.18 0.15 0.23 0.00 0.00 0.00 0.00 51.96 52.52 1ogd s ALA 70 Cb 0.04 -2.91 1.23 0.00 0.00 0.00 0.00 23.12 21.48 1ogd s ALA 70 CO -0.00 0.01 1.85 0.00 0.00 0.00 0.00 175.76 177.62 1ogd h ALA 71 N 6.16 2.45 -0.07 0.00 0.00 -0.18 -0.59 119.26 127.03 1ogd h ALA 71 Ca -0.43 0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.51 1ogd h ALA 71 Cb 1.20 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 1ogd h ALA 71 CO 0.73 -0.75 0.17 0.93 0.00 0.00 0.00 179.25 180.33 1ogd h GLU 72 N 0.26 0.00 -0.18 0.00 3.07 -1.93 -2.12 114.58 113.68 1ogd h GLU 72 Ca 0.48 0.00 -0.06 0.00 -0.50 0.00 0.00 59.36 59.28 1ogd h GLU 72 Cb 1.44 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.33 1ogd h GLU 72 CO -0.13 0.00 -0.15 0.97 -1.40 0.00 0.00 179.01 178.29 1ogd h ILE 73 N 0.00 1.20 0.00 3.13 2.10 -1.36 -1.88 117.51 120.70 1ogd h ILE 73 Ca 0.03 -0.91 -0.04 0.00 1.08 0.00 0.00 64.86 65.02 1ogd h ILE 73 Cb 0.37 1.24 -0.01 0.00 -1.09 0.00 0.00 36.82 37.33 1ogd h ILE 73 CO -0.00 0.29 -0.20 0.11 -1.08 0.00 0.00 178.15 177.27 1ogd h LYS 74 N 0.28 0.00 0.09 2.19 1.57 -1.58 -0.36 116.57 118.76 1ogd h LYS 74 Ca 0.05 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.48 1ogd h LYS 74 Cb 0.44 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.72 1ogd h LYS 74 CO 0.03 0.20 -2.00 0.00 -0.57 0.00 0.00 179.45 177.10 1ogd n ALA 75 N -2.34 1.06 0.57 3.86 0.00 -0.83 -4.32 120.51 118.52 1ogd n ALA 75 Ca -0.02 -0.69 0.06 0.00 0.00 0.00 0.00 53.44 52.80 1ogd n ALA 75 Cb 0.30 -0.64 0.01 0.00 0.00 0.00 0.00 19.45 19.12 1ogd n ALA 75 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1ogd n SER 76 N -3.36 1.57 -2.87 0.00 7.64 -0.77 -4.75 113.62 111.07 1ogd n SER 76 Ca -0.31 -1.28 -0.12 0.00 1.01 0.00 0.00 58.87 58.17 1ogd n SER 76 Cb 1.05 0.36 0.05 0.00 -1.01 0.00 0.00 64.21 64.66 1ogd n SER 76 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1ogd n ASN 77 N 0.02 -0.85 -0.31 6.43 2.85 -0.15 -4.72 115.26 118.54 1ogd n ASN 77 Ca 0.06 -3.21 0.13 0.00 -0.11 0.00 0.00 54.58 51.44 1ogd n ASN 77 Cb 0.28 0.72 0.36 0.00 1.24 0.00 0.00 39.78 42.38 1ogd n ASN 77 CO 0.00 0.00 0.00 -0.61 -2.11 0.00 0.00 177.26 174.54 1ogd h GLN 78 N 2.87 0.70 0.01 1.20 5.75 -1.74 -0.93 115.11 122.97 1ogd h GLN 78 Ca -0.06 -0.04 0.03 0.00 -0.15 0.00 0.00 58.65 58.43 1ogd h GLN 78 Cb 1.09 -0.16 -0.05 0.00 1.07 0.00 0.00 27.48 29.43 1ogd h GLN 78 CO 0.26 0.46 -0.40 0.93 -2.65 0.00 0.00 178.83 177.44 1ogd h GLU 79 N 0.72 -0.55 0.00 1.69 4.39 -1.93 0.21 114.58 119.12 1ogd h GLU 79 Ca 0.50 0.04 -0.08 0.00 0.34 0.00 0.00 59.36 60.16 1ogd h GLU 79 Cb 0.81 0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.58 1ogd h GLU 79 CO -0.27 -0.37 -0.38 -0.91 -1.16 0.00 0.00 179.01 175.93 1ogd h ASN 80 N -0.57 0.00 -0.37 1.42 2.35 -1.78 -2.60 115.58 114.02 1ogd h ASN 80 Ca 0.05 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.72 1ogd h ASN 80 Cb 0.64 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.00 1ogd h ASN 80 CO -0.30 0.38 -0.08 0.00 -1.65 0.00 0.00 177.43 175.78 1ogd h ALA 81 N 1.62 0.51 -0.33 -0.83 0.00 -0.61 -2.15 119.26 117.48 1ogd h ALA 81 Ca -0.00 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.56 1ogd h ALA 81 Cb 0.93 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1ogd h ALA 81 CO 0.05 0.36 0.03 0.87 0.00 0.00 0.00 179.25 180.56 1ogd h LYS 82 N 0.51 0.57 -0.73 0.00 1.57 -0.89 -2.14 116.57 115.45 1ogd h LYS 82 Ca 0.10 -0.16 0.13 0.00 -1.87 0.00 0.00 60.65 58.84 1ogd h LYS 82 Cb 0.59 -0.06 -0.09 0.00 0.08 0.00 0.00 32.23 32.75 1ogd h LYS 82 CO 0.04 0.67 0.31 0.35 -0.57 0.00 0.00 179.45 180.25 1ogd h PHE 83 N 0.38 0.55 -0.50 -1.35 3.57 -1.38 -0.07 116.94 118.13 1ogd h PHE 83 Ca 0.10 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.58 1ogd h PHE 83 Cb 0.39 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 38.98 1ogd h PHE 83 CO 0.03 0.11 0.10 1.25 -2.23 0.00 0.00 178.31 177.58 1ogd h LEU 84 N 0.49 0.78 -0.97 0.59 5.85 -1.17 0.11 115.31 121.00 1ogd h LEU 84 Ca 0.39 -0.25 -0.06 0.00 0.84 0.00 0.00 57.88 58.81 1ogd h LEU 84 Cb 0.54 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.34 1ogd h LEU 84 CO -0.36 0.83 0.10 -0.33 -0.34 0.00 0.00 178.44 178.35 1ogd h GLU 85 N 0.71 0.85 0.05 1.25 4.39 -0.64 -2.15 114.58 119.03 1ogd h GLU 85 Ca 0.16 -0.19 -0.00 0.00 0.34 0.00 0.00 59.36 59.66 1ogd h GLU 85 Cb 0.37 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 28.90 1ogd h GLU 85 CO 0.01 0.79 -0.02 -0.91 -1.16 0.00 0.00 179.01 177.71 1ogd h ASN 86 N 0.82 -0.05 -0.77 1.42 -0.26 -0.81 -2.99 115.58 112.94 1ogd h ASN 86 Ca 0.17 -0.57 0.08 0.00 -0.56 0.00 0.00 56.30 55.42 1ogd h ASN 86 Cb 0.34 0.01 -0.06 0.00 -1.06 0.00 0.00 38.32 37.55 1ogd h ASN 86 CO 0.00 0.57 0.44 0.25 -1.06 0.00 0.00 177.43 177.64 1ogd h LEU 87 N -0.72 0.66 -4.62 1.61 5.85 -0.76 -2.88 115.31 114.45 1ogd h LEU 87 Ca -0.01 0.04 -0.67 0.00 0.84 0.00 0.00 57.88 58.08 1ogd h LEU 87 Cb 0.62 -0.09 -0.34 0.00 0.37 0.00 0.00 40.66 41.21 1ogd h LEU 87 CO 0.01 0.40 0.19 0.49 -0.34 0.00 0.00 178.44 179.20 1ogd n PHE 88 N -4.74 3.16 -0.07 1.25 3.01 -0.81 -4.78 117.46 114.48 1ogd n PHE 88 Ca 0.11 -2.69 0.04 0.00 1.01 0.00 0.00 57.45 55.93 1ogd n PHE 88 Cb 0.22 -0.71 0.39 0.00 -0.01 0.00 0.00 39.48 39.37 1ogd n PHE 88 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1ogd h SER 89 N 2.68 0.56 1.74 4.37 4.64 -1.34 -2.47 113.55 123.72 1ogd h SER 89 Ca 0.45 -0.01 -0.03 0.00 -0.47 0.00 0.00 61.79 61.73 1ogd h SER 89 Cb 0.57 -0.14 -0.00 0.00 -0.31 0.00 0.00 62.40 62.52 1ogd h SER 89 CO 1.17 0.40 -0.27 -0.33 -0.87 0.00 0.00 176.83 176.93 1ogd h GLU 90 N 0.66 0.00 -6.93 4.77 5.08 -1.88 -3.47 114.58 112.80 1ogd h GLU 90 Ca 0.20 0.00 -0.46 0.00 -1.00 0.00 0.00 59.36 58.10 1ogd h GLU 90 Cb 0.00 0.00 0.05 0.00 0.50 0.00 0.00 28.75 29.30 1ogd h GLU 90 CO -0.05 0.11 0.04 -0.65 -1.00 0.00 0.00 179.01 177.46 1ogd s GLN 91 N -3.17 2.78 -0.06 2.33 1.11 -0.93 -5.06 119.66 116.66 1ogd s GLN 91 Ca 0.05 -0.38 -0.27 0.00 0.01 0.00 0.00 55.36 54.77 1ogd s GLN 91 Cb 0.06 -2.40 -0.03 0.00 -1.01 0.00 0.00 33.01 29.63 1ogd s GLN 91 CO 0.70 -0.63 0.86 -2.00 0.01 0.00 0.00 175.29 174.23 1ogd s GLU 92 N -4.83 4.47 -0.21 2.91 2.12 -1.23 -4.94 118.70 116.99 1ogd s GLU 92 Ca 0.54 1.16 -0.01 0.00 0.36 0.00 0.00 54.97 57.02 1ogd s GLU 92 Cb -0.10 -3.48 0.01 0.00 0.26 0.00 0.00 34.13 30.82 1ogd s GLU 92 CO 0.41 -0.07 -0.13 0.42 -0.54 0.00 0.00 175.26 175.36 1ogd s ILE 93 N 1.17 2.58 -0.09 -3.70 1.01 -1.26 -0.53 121.20 120.39 1ogd s ILE 93 Ca 0.44 -0.86 0.01 0.00 0.00 0.00 0.00 60.65 60.24 1ogd s ILE 93 Cb -0.19 -2.18 -0.02 0.00 0.01 0.00 0.00 42.46 40.08 1ogd s ILE 93 CO 0.21 0.42 -0.12 -0.70 0.00 0.00 0.00 174.94 174.76 1ogd s GLU 94 N 1.34 3.00 -0.16 2.79 2.12 -0.03 -5.00 118.70 122.76 1ogd s GLU 94 Ca 0.04 -0.65 -0.04 0.00 0.36 0.00 0.00 54.97 54.68 1ogd s GLU 94 Cb -0.14 -2.56 -0.03 0.00 0.26 0.00 0.00 34.13 31.65 1ogd s GLU 94 CO -0.08 0.44 -0.02 0.71 -0.54 0.00 0.00 175.26 175.76 1ogd s TYR 95 N -0.22 3.06 0.32 5.30 1.51 -1.26 -0.98 117.35 125.07 1ogd s TYR 95 Ca 0.01 -0.24 0.04 0.00 -1.01 0.00 0.00 57.07 55.87 1ogd s TYR 95 Cb -0.13 -1.97 -0.06 0.00 -0.11 0.00 0.00 41.96 39.68 1ogd s TYR 95 CO 0.03 -0.00 0.06 -0.51 -1.11 0.00 0.00 175.55 174.01 1ogd s LEU 96 N 0.35 2.15 0.56 -1.29 1.43 -0.29 -4.77 118.68 116.81 1ogd s LEU 96 Ca -0.03 -1.37 -0.19 0.00 -1.03 0.00 0.00 54.13 51.51 1ogd s LEU 96 Cb -0.14 -0.36 -0.05 0.00 0.03 0.00 0.00 46.19 45.67 1ogd s LEU 96 CO 0.03 -0.61 1.12 -0.94 0.23 0.00 0.00 176.35 176.17 1ogd s SER 97 N -3.47 5.66 0.42 2.29 1.04 -1.26 0.57 113.70 118.94 1ogd s SER 97 Ca 0.37 2.13 0.14 0.00 0.48 0.00 0.00 55.95 59.06 1ogd s SER 97 Cb 0.09 -2.57 1.00 0.00 0.10 0.00 0.00 66.02 64.63 1ogd s SER 97 CO 0.15 -1.26 1.95 -0.74 0.98 0.00 0.00 173.24 174.32 1ogd h HIS 98 N 1.02 0.50 -0.22 5.02 2.76 -1.93 -0.27 115.15 122.03 1ogd h HIS 98 Ca -0.49 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 57.68 1ogd h HIS 98 Cb 1.26 -0.16 -0.01 0.00 1.55 0.00 0.00 27.41 30.04 1ogd h HIS 98 CO 0.52 0.22 0.11 0.93 -1.30 0.00 0.00 177.93 178.42 1ogd h GLU 99 N 0.46 0.30 -0.55 5.26 4.39 -2.00 -1.08 114.58 121.36 1ogd h GLU 99 Ca 0.32 -0.04 -0.05 0.00 0.34 0.00 0.00 59.36 59.94 1ogd h GLU 99 Cb 0.64 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.21 1ogd h GLU 99 CO -0.10 0.29 0.16 0.93 -1.16 0.00 0.00 179.01 179.13 1ogd h GLU 100 N 0.23 0.87 -0.31 2.33 4.39 -1.68 -2.63 114.58 117.78 1ogd h GLU 100 Ca 0.08 -0.20 0.07 0.00 0.34 0.00 0.00 59.36 59.65 1ogd h GLU 100 Cb 0.08 -0.12 -0.08 0.00 -0.10 0.00 0.00 28.75 28.53 1ogd h GLU 100 CO -0.01 0.80 -0.21 0.35 -1.16 0.00 0.00 179.01 178.78 1ogd h PHE 101 N 0.78 -0.54 -0.93 4.33 3.57 -0.76 -0.80 116.94 122.59 1ogd h PHE 101 Ca 0.18 0.04 0.08 0.00 3.53 0.00 0.00 57.97 61.80 1ogd h PHE 101 Cb 0.30 0.29 -0.07 0.00 2.79 0.00 0.00 35.95 39.26 1ogd h PHE 101 CO 0.02 -0.29 0.58 0.87 -2.23 0.00 0.00 178.31 177.26 1ogd h LYS 102 N -0.18 0.97 -0.69 1.11 1.57 -1.00 -1.57 116.57 116.79 1ogd h LYS 102 Ca 0.16 -0.06 0.04 0.00 -1.87 0.00 0.00 60.65 58.92 1ogd h LYS 102 Cb 0.43 -0.22 -0.05 0.00 0.08 0.00 0.00 32.23 32.47 1ogd h LYS 102 CO -0.42 0.64 0.42 -0.07 -0.57 0.00 0.00 179.45 179.46 1ogd h LEU 103 N 1.00 0.68 -1.62 2.94 4.07 -0.83 -2.24 115.31 119.31 1ogd h LEU 103 Ca 0.43 0.01 -0.04 0.00 0.08 0.00 0.00 57.88 58.35 1ogd h LEU 103 Cb 0.29 -0.14 -0.01 0.00 1.08 0.00 0.00 40.66 41.88 1ogd h LEU 103 CO -0.21 0.47 -0.20 -0.07 -1.08 0.00 0.00 178.44 177.34 1ogd h LEU 104 N 0.82 0.00 -0.65 1.67 3.38 -0.25 -2.74 115.31 117.53 1ogd h LEU 104 Ca 0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.25 1ogd h LEU 104 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1ogd h LEU 104 CO -0.12 0.20 0.00 0.35 0.09 0.00 0.00 178.44 178.96 1ogd n THR 105 N -3.83 1.08 0.23 0.22 -2.24 -0.84 -2.24 114.28 106.65 1ogd n THR 105 Ca -0.02 0.40 0.09 0.00 -2.27 0.00 0.00 64.05 62.26 1ogd n THR 105 Cb 0.30 -1.32 0.55 0.00 -2.10 0.00 0.00 70.33 67.76 1ogd n THR 105 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1ogd h LYS 106 N 0.00 0.00 -0.19 -0.78 1.57 -1.58 -2.77 116.57 112.81 1ogd h LYS 106 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1ogd h LYS 106 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.51 1ogd h LYS 106 CO 0.00 0.22 0.00 -0.25 -0.57 0.00 0.00 179.45 178.85 1ogd n ASP 107 N -3.65 2.43 -4.79 0.86 8.00 -0.95 -4.92 116.55 113.53 1ogd n ASP 107 Ca -0.01 -1.82 -0.34 0.00 0.71 0.00 0.00 54.79 53.33 1ogd n ASP 107 Cb 0.35 -0.12 -0.01 0.00 -0.02 0.00 0.00 41.12 41.32 1ogd n ASP 107 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ogd s ALA 108 N -1.76 2.77 -0.34 2.24 0.00 -1.05 -4.66 121.76 118.97 1ogd s ALA 108 Ca 0.34 0.56 0.20 0.00 0.00 0.00 0.00 51.96 53.06 1ogd s ALA 108 Cb 0.20 -3.26 0.24 0.00 0.00 0.00 0.00 23.12 20.29 1ogd s ALA 108 CO 0.30 -0.62 1.54 0.87 0.00 0.00 0.00 175.76 177.85 1ogd h LYS 109 N 1.00 0.00 -1.80 0.00 1.79 -0.92 -3.45 116.57 113.19 1ogd h LYS 109 Ca -0.48 0.00 0.17 0.00 -2.18 0.00 0.00 60.65 58.16 1ogd h LYS 109 Cb 1.23 0.00 -0.18 0.00 -1.58 0.00 0.00 32.23 31.70 1ogd h LYS 109 CO 0.58 0.18 0.65 0.00 -1.08 0.00 0.00 179.45 179.78 1ogd s ALA 110 N -3.12 -1.95 -0.14 3.86 0.00 -1.26 -4.17 121.76 114.97 1ogd s ALA 110 Ca 0.06 1.37 0.02 0.00 0.00 0.00 0.00 51.96 53.42 1ogd s ALA 110 Cb 0.06 -0.04 0.01 0.00 0.00 0.00 0.00 23.12 23.15 1ogd s ALA 110 CO 0.70 -0.58 -0.22 0.08 0.00 0.00 0.00 175.76 175.74 1ogd s VAL 111 N -2.47 2.11 -0.35 0.00 1.01 0.29 -0.89 120.40 120.10 1ogd s VAL 111 Ca 0.06 -0.96 -0.12 0.00 0.00 0.00 0.00 61.98 60.95 1ogd s VAL 111 Cb -0.01 -1.84 -0.00 0.00 0.00 0.00 0.00 36.38 34.53 1ogd s VAL 111 CO -0.06 0.55 0.23 -0.63 0.00 0.00 0.00 175.10 175.19 1ogd s ILE 112 N 0.80 5.05 -0.22 2.22 1.01 0.22 -1.11 121.20 129.18 1ogd s ILE 112 Ca -0.07 -0.44 -0.20 0.00 0.00 0.00 0.00 60.65 59.93 1ogd s ILE 112 Cb -0.16 -3.67 -0.02 0.00 0.01 0.00 0.00 42.46 38.62 1ogd s ILE 112 CO -0.02 -0.09 0.62 -0.60 0.00 0.00 0.00 174.94 174.86 1ogd s ARG 113 N 1.67 4.18 0.55 2.79 3.52 0.02 -0.27 118.95 131.41 1ogd s ARG 113 Ca 0.05 0.58 0.09 0.00 -0.13 0.00 0.00 55.73 56.32 1ogd s ARG 113 Cb -0.18 -3.60 0.09 0.00 -1.56 0.00 0.00 34.95 29.70 1ogd s ARG 113 CO 0.09 -0.29 0.71 0.25 -0.81 0.00 0.00 175.30 175.25 1ogd n THR 114 N 4.85 0.00 0.26 4.11 -2.24 -0.11 -1.10 114.28 120.04 1ogd n THR 114 Ca -0.01 -1.87 0.10 0.00 -2.27 0.00 0.00 64.05 60.00 1ogd n THR 114 Cb 0.49 -0.48 0.26 0.00 -2.10 0.00 0.00 70.33 68.51 1ogd n THR 114 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ogd n GLY 115 N -1.66 1.61 3.68 3.38 0.00 -0.08 -3.60 105.19 108.51 1ogd n GLY 115 Ca 0.13 -0.63 -0.47 0.00 0.00 0.00 0.00 46.02 45.06 1ogd n GLY 115 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1ogd n GLU 116 N 1.18 2.35 -1.76 1.61 4.07 -1.22 0.09 120.64 126.96 1ogd n GLU 116 Ca 0.19 0.86 -0.30 0.00 -0.06 0.00 0.00 57.16 57.85 1ogd n GLU 116 Cb 0.49 -2.73 0.05 0.00 -0.06 0.00 0.00 31.44 29.19 1ogd n GLU 116 CO 0.00 0.00 0.00 1.19 -0.06 0.00 0.00 177.13 178.26 1ogd n PHE 117 N 6.57 3.03 -4.31 4.31 3.01 -1.26 -1.71 117.46 127.10 1ogd n PHE 117 Ca 0.21 -2.65 -0.23 0.00 1.01 0.00 0.00 57.45 55.80 1ogd n PHE 117 Cb 0.32 -0.86 -0.13 0.00 -0.01 0.00 0.00 39.48 38.80 1ogd n PHE 117 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 1ogd s THR 118 N -4.81 1.64 0.26 4.37 -4.23 -1.26 -5.06 115.64 106.55 1ogd s THR 118 Ca 0.57 -1.47 -0.31 0.00 -1.18 0.00 0.00 61.69 59.30 1ogd s THR 118 Cb 0.45 -1.49 -0.13 0.00 1.34 0.00 0.00 72.50 72.68 1ogd s THR 118 CO -0.03 -0.05 1.49 -2.65 -0.54 0.00 0.00 174.62 172.84 1ogd n PRO 119 N 1.20 2.34 -2.64 3.99 -0.02 -1.26 -3.57 135.00 135.03 1ogd n PRO 119 Ca -0.19 0.83 -0.15 0.00 -2.02 0.00 0.00 63.50 61.97 1ogd n PRO 119 Cb 0.54 -2.55 -0.00 0.00 -0.02 0.00 0.00 33.50 31.47 1ogd n PRO 119 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1ogd n TYR 120 N 2.03 -1.51 -2.09 6.00 4.02 -1.26 -4.55 117.16 119.79 1ogd n TYR 120 Ca 0.10 0.12 -0.42 0.00 -0.01 0.00 0.00 57.90 57.69 1ogd n TYR 120 Cb 0.34 -2.91 0.00 0.00 -0.02 0.00 0.00 39.34 36.75 1ogd n TYR 120 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1ogd n ALA 121 N -2.53 5.49 -2.91 -0.72 0.00 -1.23 -4.64 120.51 113.96 1ogd n ALA 121 Ca -0.12 -4.15 -0.10 0.00 0.00 0.00 0.00 53.44 49.07 1ogd n ALA 121 Cb 0.60 -3.19 -0.11 0.00 0.00 0.00 0.00 19.45 16.75 1ogd n ALA 121 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1ogd s ASN 122 N 1.71 0.38 0.04 0.00 -0.87 -1.26 -2.50 114.94 112.44 1ogd s ASN 122 Ca 0.43 -0.54 -0.22 0.00 -1.57 0.00 0.00 52.86 50.96 1ogd s ASN 122 Cb 0.12 0.09 0.05 0.00 -0.02 0.00 0.00 41.25 41.49 1ogd s ASN 122 CO -0.03 -0.30 0.50 0.00 -2.57 0.00 0.00 177.10 174.70 1ogd s ILE 124 N -2.37 3.57 -0.23 0.00 1.01 0.49 -1.66 121.20 122.01 1ogd s ILE 124 Ca -0.06 -0.46 -0.08 0.00 0.00 0.00 0.00 60.65 60.05 1ogd s ILE 124 Cb -0.01 -2.57 -0.04 0.00 0.01 0.00 0.00 42.46 39.85 1ogd s ILE 124 CO -0.01 0.47 0.10 -0.76 0.00 0.00 0.00 174.94 174.74 1ogd s LEU 125 N 0.73 3.78 -0.26 2.97 1.43 -0.43 -1.09 118.68 125.81 1ogd s LEU 125 Ca -0.03 -0.01 -0.09 0.00 -1.03 0.00 0.00 54.13 52.97 1ogd s LEU 125 Cb -0.15 -2.00 -0.04 0.00 0.03 0.00 0.00 46.19 44.04 1ogd s LEU 125 CO 0.02 0.06 0.12 -1.58 0.23 0.00 0.00 176.35 175.20 1ogd s GLN 126 N 1.06 3.81 0.32 1.70 0.74 -0.45 -1.89 119.66 124.94 1ogd s GLN 126 Ca 0.05 -0.40 -0.29 0.00 0.05 0.00 0.00 55.36 54.77 1ogd s GLN 126 Cb -0.14 -3.45 -0.11 0.00 1.10 0.00 0.00 33.01 30.41 1ogd s GLN 126 CO 0.04 -0.15 1.51 0.00 -0.55 0.00 0.00 175.29 176.14 1ogd s ALA 127 N 1.57 3.65 0.10 1.58 0.00 0.20 -1.38 121.76 127.48 1ogd s ALA 127 Ca 0.06 1.51 0.00 0.00 0.00 0.00 0.00 51.96 53.53 1ogd s ALA 127 Cb -0.15 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.36 1ogd s ALA 127 CO 0.06 -0.94 0.00 0.41 0.00 0.00 0.00 175.76 175.30 1ogd n GLY 128 N 1.49 1.64 3.14 0.00 0.00 0.18 -0.99 105.19 110.65 1ogd n GLY 128 Ca 0.05 -2.01 -0.19 0.00 0.00 0.00 0.00 46.02 43.86 1ogd n GLY 128 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ogd s VAL 129 N 1.63 1.05 -2.06 1.61 0.11 -1.26 -4.28 120.40 117.20 1ogd s VAL 129 Ca 0.00 -1.03 0.11 0.00 -2.93 0.00 0.00 61.98 58.14 1ogd s VAL 129 Cb 0.00 -0.97 0.29 0.00 -1.53 0.00 0.00 36.38 34.18 1ogd s VAL 129 CO 0.00 -0.06 1.33 0.18 -3.33 0.00 0.00 175.10 173.22 1ogd n LEU 130 N 1.81 0.98 0.00 2.54 4.77 -1.26 -5.10 117.00 120.74 1ogd n LEU 130 Ca -0.19 -0.46 0.00 0.00 -0.03 0.00 0.00 56.01 55.33 1ogd n LEU 130 Cb 0.55 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 1ogd n LEU 130 CO 0.23 0.23 0.00 2.22 -1.33 0.00 0.00 177.39 178.74