#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 4.30 -0.03 0.03 2.20 -1.26 -4.95 119.74 120.04 1ogd s LYS 2 Ca 0.00 1.95 -0.23 0.00 -0.36 0.00 0.00 55.97 57.33 1ogd s LYS 2 Cb 0.00 -3.52 -0.22 0.00 -1.51 0.00 0.00 37.83 32.58 1ogd s LYS 2 CO 0.00 -0.53 1.10 0.87 -0.36 0.00 0.00 175.35 176.43 1ogd h LYS 3 N 7.62 0.24 -5.91 4.03 1.57 -2.05 -3.48 116.57 118.59 1ogd h LYS 3 Ca -0.38 -0.22 -0.57 0.00 -1.87 0.00 0.00 60.65 57.60 1ogd h LYS 3 Cb 1.18 0.06 -0.09 0.00 0.08 0.00 0.00 32.23 33.46 1ogd h LYS 3 CO 0.89 0.91 -0.52 -1.01 -0.57 0.00 0.00 179.45 179.15 1ogd s HIS 4 N -3.37 2.60 0.00 -1.35 3.76 -1.26 -5.08 115.29 110.59 1ogd s HIS 4 Ca -0.15 -0.56 0.00 0.00 -0.15 0.00 0.00 55.06 54.20 1ogd s HIS 4 Cb 0.02 -1.88 0.00 0.00 1.11 0.00 0.00 32.58 31.83 1ogd s HIS 4 CO 0.76 0.24 0.00 0.41 -0.85 0.00 0.00 174.74 175.30 1ogd n GLY 5 N -1.19 -2.77 3.77 -2.22 0.00 -1.26 -4.95 105.19 96.57 1ogd n GLY 5 Ca -0.02 -1.77 -0.39 0.00 0.00 0.00 0.00 46.02 43.83 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 -0.64 2.47 0.17 -0.61 2.07 -1.26 -4.96 121.20 118.44 1ogd s ILE 6 Ca 0.00 0.42 -0.06 0.00 -1.41 0.00 0.00 60.65 59.60 1ogd s ILE 6 Cb 0.00 -3.24 -0.07 0.00 0.13 0.00 0.00 42.46 39.27 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 2.52 0.74 -9.34 8.50 5.85 -1.99 -3.45 115.31 118.15 1ogd h LEU 7 Ca -0.50 -0.41 -0.54 0.00 0.84 0.00 0.00 57.88 57.27 1ogd h LEU 7 Cb 1.25 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 42.07 1ogd h LEU 7 CO 0.62 1.15 1.06 0.21 -0.34 0.00 0.00 178.44 181.14 1ogd s ASN 8 N -6.94 6.64 0.20 1.25 3.84 -1.26 -4.91 114.94 113.76 1ogd s ASN 8 Ca -0.08 2.35 -0.09 0.00 0.21 0.00 0.00 52.86 55.25 1ogd s ASN 8 Cb 0.11 -2.54 0.13 0.00 -0.55 0.00 0.00 41.25 38.39 1ogd s ASN 8 CO 0.86 -0.91 1.77 0.77 -2.79 0.00 0.00 177.10 176.80 1ogd h SER 9 N 9.13 1.00 -0.29 -4.21 4.64 -2.00 -0.36 113.55 121.46 1ogd h SER 9 Ca -0.41 -0.16 -0.02 0.00 -0.47 0.00 0.00 61.79 60.72 1ogd h SER 9 Cb 1.19 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 63.01 1ogd h SER 9 CO 0.94 0.89 0.10 0.45 -0.87 0.00 0.00 176.83 178.34 1ogd h HIS 10 N 1.05 0.45 -0.62 4.77 3.86 -1.99 -2.78 115.15 119.89 1ogd h HIS 10 Ca 0.25 -0.04 -0.09 0.00 -1.16 0.00 0.00 60.37 59.33 1ogd h HIS 10 Cb 0.19 -0.13 -0.02 0.00 1.06 0.00 0.00 27.41 28.50 1ogd h HIS 10 CO 0.01 0.46 0.04 -0.07 0.86 0.00 0.00 177.93 179.24 1ogd h LEU 11 N 0.31 1.04 -0.93 2.43 3.38 -1.92 -2.87 115.31 116.75 1ogd h LEU 11 Ca 0.10 -0.27 0.09 0.00 0.09 0.00 0.00 57.88 57.88 1ogd h LEU 11 Cb 0.21 -0.28 -0.07 0.00 0.09 0.00 0.00 40.66 40.61 1ogd h LEU 11 CO -0.01 1.06 0.57 0.00 0.09 0.00 0.00 178.44 180.16 1ogd h ALA 12 N 1.05 1.33 -0.42 1.53 0.00 -0.94 0.29 119.26 122.09 1ogd h ALA 12 Ca 0.18 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.03 1ogd h ALA 12 Cb 0.51 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1ogd h ALA 12 CO 0.02 0.25 -0.03 0.87 0.00 0.00 0.00 179.25 180.37 1ogd h LYS 13 N 0.98 0.70 -0.10 0.00 1.57 -1.28 -1.32 116.57 117.11 1ogd h LYS 13 Ca 0.43 -0.19 -0.05 0.00 -1.87 0.00 0.00 60.65 58.97 1ogd h LYS 13 Cb 0.32 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.55 1ogd h LYS 13 CO -0.22 0.74 -0.14 0.82 -0.57 0.00 0.00 179.45 180.07 1ogd h ILE 14 N 0.65 1.38 -0.71 1.86 1.08 -1.11 -3.20 117.51 117.46 1ogd h ILE 14 Ca 0.13 -1.36 -0.00 0.00 -0.39 0.00 0.00 64.86 63.23 1ogd h ILE 14 Cb 0.45 2.03 -0.03 0.00 -3.07 0.00 0.00 36.82 36.19 1ogd h ILE 14 CO 0.02 0.39 0.43 -0.07 -0.69 0.00 0.00 178.15 178.23 1ogd h LEU 15 N -0.14 0.85 -1.78 1.44 3.38 -0.83 -2.60 115.31 115.63 1ogd h LEU 15 Ca 0.01 -0.05 0.09 0.00 0.09 0.00 0.00 57.88 58.02 1ogd h LEU 15 Cb 0.69 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 1ogd h LEU 15 CO 0.03 0.66 0.32 0.00 0.09 0.00 0.00 178.44 179.54 1ogd h ALA 16 N 1.49 2.10 -0.01 1.53 0.00 -1.24 -2.03 119.26 121.10 1ogd h ALA 16 Ca 0.26 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1ogd h ALA 16 Cb -0.04 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1ogd h ALA 16 CO -0.05 -0.20 -0.45 -0.25 0.00 0.00 0.00 179.25 178.30 1ogd n ASP 17 N -4.46 1.29 -4.73 0.00 8.00 -0.99 -4.96 116.55 110.70 1ogd n ASP 17 Ca 0.07 -1.03 -0.42 0.00 0.71 0.00 0.00 54.79 54.12 1ogd n ASP 17 Cb 0.35 0.37 -0.02 0.00 -0.02 0.00 0.00 41.12 41.80 1ogd n ASP 17 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1ogd n LEU 18 N -0.65 4.12 -4.56 0.64 4.77 -0.77 -5.01 117.00 115.55 1ogd n LEU 18 Ca 0.09 1.11 -0.26 0.00 -0.03 0.00 0.00 56.01 56.93 1ogd n LEU 18 Cb 0.38 -1.57 -0.11 0.00 -2.33 0.00 0.00 43.42 39.79 1ogd n LEU 18 CO 0.30 0.12 -0.28 -0.83 -1.33 0.00 0.00 177.39 175.37 1ogd s GLY 19 N 0.75 2.36 -0.00 -0.72 0.00 -1.26 -5.04 107.32 103.41 1ogd s GLY 19 Ca 0.69 -2.16 -0.35 0.00 0.00 0.00 0.00 44.72 42.90 1ogd s GLY 19 CO 0.42 -1.99 1.72 1.57 0.00 0.00 0.00 173.10 174.82 1ogd n HIS 20 N -0.87 2.23 -0.18 1.90 -0.00 -1.26 -1.75 115.22 115.29 1ogd n HIS 20 Ca -0.04 0.18 0.00 0.00 0.46 0.00 0.00 57.72 58.32 1ogd n HIS 20 Cb 0.67 -2.58 0.00 0.00 -0.12 0.00 0.00 29.99 27.96 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 4.28 0.00 -1.46 3.57 -2.24 -0.06 -5.00 114.28 113.38 1ogd n THR 21 Ca 0.21 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.65 1ogd n THR 21 Cb 0.27 0.00 0.09 0.00 -2.10 0.00 0.00 70.33 68.59 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 -3.22 4.28 0.05 3.42 1.01 -0.72 -4.52 116.67 116.96 1ogd s ASP 22 Ca 0.00 2.31 0.06 0.00 0.71 0.00 0.00 52.55 55.64 1ogd s ASP 22 Cb 0.00 -2.58 -0.02 0.00 1.01 0.00 0.00 42.92 41.32 1ogd s ASP 22 CO 0.00 -2.21 -0.18 -0.54 0.21 0.00 0.00 175.17 172.45 1ogd s LYS 23 N -3.94 1.20 0.13 8.23 1.02 -1.26 -0.51 119.74 124.61 1ogd s LYS 23 Ca 0.73 -0.89 0.05 0.00 0.02 0.00 0.00 55.97 55.89 1ogd s LYS 23 Cb -0.28 -1.29 -0.04 0.00 -0.52 0.00 0.00 37.83 35.70 1ogd s LYS 23 CO 0.45 0.32 -0.13 0.96 -0.92 0.00 0.00 175.35 176.04 1ogd s ILE 24 N -0.84 1.28 -0.03 2.17 -4.36 -1.00 0.03 121.20 118.44 1ogd s ILE 24 Ca 0.05 -1.79 0.07 0.00 -0.26 0.00 0.00 60.65 58.72 1ogd s ILE 24 Cb -0.09 -1.59 -0.02 0.00 1.25 0.00 0.00 42.46 42.02 1ogd s ILE 24 CO 0.02 -0.50 -0.25 -0.69 0.24 0.00 0.00 174.94 173.75 1ogd s VAL 25 N -2.42 2.04 -0.19 8.37 1.01 -0.14 -1.38 120.40 127.68 1ogd s VAL 25 Ca 0.11 -1.09 -0.04 0.00 0.00 0.00 0.00 61.98 60.96 1ogd s VAL 25 Cb -0.03 -1.70 -0.02 0.00 0.00 0.00 0.00 36.38 34.63 1ogd s VAL 25 CO 0.02 0.57 -0.04 -0.63 0.00 0.00 0.00 175.10 175.03 1ogd s ILE 26 N -0.45 3.59 0.20 2.22 1.01 -0.24 0.64 121.20 128.17 1ogd s ILE 26 Ca 0.05 -0.44 0.08 0.00 0.00 0.00 0.00 60.65 60.34 1ogd s ILE 26 Cb -0.11 -2.60 -0.05 0.00 0.01 0.00 0.00 42.46 39.71 1ogd s ILE 26 CO 0.01 0.45 -0.15 0.00 0.00 0.00 0.00 174.94 175.25 1ogd s ALA 27 N 1.00 1.98 0.89 9.38 0.00 0.97 -1.46 121.76 134.52 1ogd s ALA 27 Ca 0.00 -1.62 -0.12 0.00 0.00 0.00 0.00 51.96 50.22 1ogd s ALA 27 Cb -0.15 -0.09 0.17 0.00 0.00 0.00 0.00 23.12 23.05 1ogd s ALA 27 CO 0.01 0.08 1.23 0.16 0.00 0.00 0.00 175.76 177.24 1ogd s ASP 28 N -3.20 3.52 0.00 0.00 3.84 -1.03 -1.19 116.67 118.61 1ogd s ASP 28 Ca 0.21 0.17 0.08 0.00 -0.00 0.00 0.00 52.55 53.01 1ogd s ASP 28 Cb -0.01 -0.33 0.36 0.00 -1.38 0.00 0.00 42.92 41.56 1ogd s ASP 28 CO 0.07 -2.46 1.24 0.00 -0.00 0.00 0.00 175.17 174.01 1ogd n ALA 29 N -3.51 1.41 0.27 2.11 0.00 -0.49 -3.31 120.51 116.98 1ogd n ALA 29 Ca 0.14 -0.03 0.07 0.00 0.00 0.00 0.00 53.44 53.63 1ogd n ALA 29 Cb 0.60 -1.13 -0.10 0.00 0.00 0.00 0.00 19.45 18.81 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 -0.64 -0.57 3.70 0.00 0.00 -1.26 -5.00 105.19 101.43 1ogd n GLY 30 Ca 0.02 -0.38 -0.43 0.00 0.00 0.00 0.00 46.02 45.23 1ogd n GLY 30 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1ogd n LEU 31 N -1.76 3.85 -4.78 0.99 7.94 -1.21 -4.96 117.00 117.08 1ogd n LEU 31 Ca -0.01 1.03 -0.36 0.00 -1.11 0.00 0.00 56.01 55.57 1ogd n LEU 31 Cb 0.33 -1.53 -0.04 0.00 0.53 0.00 0.00 43.42 42.70 1ogd n LEU 31 CO 0.31 0.10 0.73 -2.16 -1.11 0.00 0.00 177.39 175.25 1ogd s PRO 32 N 1.79 4.16 -0.24 1.96 0.04 -1.26 -4.99 135.00 136.47 1ogd s PRO 32 Ca 0.79 1.47 -0.08 0.00 0.04 0.00 0.00 61.00 63.22 1ogd s PRO 32 Cb -0.53 -2.51 -0.03 0.00 0.04 0.00 0.00 34.50 31.47 1ogd s PRO 32 CO 0.36 -0.13 0.09 0.08 0.04 0.00 0.00 177.00 177.43 1ogd s VAL 33 N -1.70 4.54 0.71 -0.36 1.01 -1.26 -5.08 120.40 118.25 1ogd s VAL 33 Ca 0.58 -0.10 -0.16 0.00 0.00 0.00 0.00 61.98 62.30 1ogd s VAL 33 Cb -0.21 -3.11 0.00 0.00 0.00 0.00 0.00 36.38 33.06 1ogd s VAL 33 CO 0.26 0.35 0.96 -2.65 0.00 0.00 0.00 175.10 174.02 1ogd n PRO 34 N 4.69 0.54 -2.01 2.72 -0.02 -1.26 -4.91 135.00 134.74 1ogd n PRO 34 Ca -0.16 0.24 -0.39 0.00 -2.02 0.00 0.00 63.50 61.17 1ogd n PRO 34 Cb 0.52 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 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 -1.60 6.15 0.00 2.55 1.01 -1.26 -2.69 116.67 120.84 1ogd s ASP 35 Ca 0.73 2.67 0.00 0.00 0.71 0.00 0.00 52.55 56.67 1ogd s ASP 35 Cb -0.35 -2.64 0.00 0.00 1.01 0.00 0.00 42.92 40.94 1ogd s ASP 35 CO 0.50 -0.96 0.00 0.61 0.21 0.00 0.00 175.17 175.53 1ogd n GLY 36 N 0.64 2.51 3.72 0.21 0.00 -1.26 -5.02 105.19 105.99 1ogd n GLY 36 Ca 0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.23 5.21 0.26 1.61 1.01 -1.09 -5.03 120.40 120.14 1ogd s VAL 37 Ca 0.00 0.86 -0.30 0.00 0.00 0.00 0.00 61.98 62.54 1ogd s VAL 37 Cb 0.00 -3.78 -0.11 0.00 0.00 0.00 0.00 36.38 32.49 1ogd s VAL 37 CO 0.00 0.34 1.58 -0.22 0.00 0.00 0.00 175.10 176.80 1ogd s LEU 38 N 0.62 4.36 -0.18 3.92 2.96 -1.26 -4.85 118.68 124.25 1ogd s LEU 38 Ca 0.24 2.86 -0.01 0.00 -0.22 0.00 0.00 54.13 57.00 1ogd s LEU 38 Cb -0.15 -3.62 0.00 0.00 0.50 0.00 0.00 46.19 42.92 1ogd s LEU 38 CO 0.09 -0.88 -0.13 -0.75 -1.32 0.00 0.00 176.35 173.36 1ogd s LYS 39 N -0.08 3.22 -0.29 1.98 2.20 -1.26 -0.62 119.74 124.88 1ogd s LYS 39 Ca 0.65 -0.73 0.01 0.00 -0.36 0.00 0.00 55.97 55.54 1ogd s LYS 39 Cb -0.47 -2.71 0.06 0.00 -1.51 0.00 0.00 37.83 33.20 1ogd s LYS 39 CO 0.43 -0.08 -0.03 0.42 -0.36 0.00 0.00 175.35 175.73 1ogd s ILE 40 N 1.07 2.58 -0.39 5.43 1.01 -0.33 -4.98 121.20 125.60 1ogd s ILE 40 Ca -0.00 -1.62 -0.17 0.00 0.00 0.00 0.00 60.65 58.86 1ogd s ILE 40 Cb -0.15 -2.55 0.01 0.00 0.01 0.00 0.00 42.46 39.78 1ogd s ILE 40 CO -0.04 -0.15 0.43 -0.62 0.00 0.00 0.00 174.94 174.56 1ogd s ASP 41 N 1.19 6.20 0.00 3.58 3.68 -1.26 -1.19 116.67 128.86 1ogd s ASP 41 Ca -0.05 -0.48 0.22 0.00 2.13 0.00 0.00 52.55 54.38 1ogd s ASP 41 Cb -0.20 -2.22 -0.03 0.00 -1.45 0.00 0.00 42.92 39.02 1ogd s ASP 41 CO -0.04 -0.50 1.06 0.18 0.13 0.00 0.00 175.17 176.00 1ogd n LEU 42 N 5.57 1.53 -4.70 -1.34 4.77 -0.31 -4.96 117.00 117.56 1ogd n LEU 42 Ca -0.07 -0.61 -0.39 0.00 -0.03 0.00 0.00 56.01 54.91 1ogd n LEU 42 Cb 0.48 -0.02 0.03 0.00 -2.33 0.00 0.00 43.42 41.59 1ogd n LEU 42 CO 0.44 0.31 0.87 -1.54 -1.33 0.00 0.00 177.39 176.14 1ogd n SER 43 N -0.67 2.27 0.00 -1.43 3.41 -1.16 -4.36 113.62 111.68 1ogd n SER 43 Ca 0.07 0.99 0.00 0.00 -0.26 0.00 0.00 58.87 59.67 1ogd n SER 43 Cb 0.41 -1.52 0.00 0.00 -0.26 0.00 0.00 64.21 62.84 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 -0.56 2.00 -3.65 1.04 7.94 0.41 -4.92 117.00 119.25 1ogd n LEU 44 Ca 0.10 0.00 -0.08 0.00 -1.11 0.00 0.00 56.01 54.92 1ogd n LEU 44 Cb 0.43 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 44.37 1ogd n LEU 44 CO 0.54 0.32 0.53 -1.59 -1.11 0.00 0.00 177.39 176.08 1ogd s LYS 45 N -1.83 1.37 -0.05 1.96 -2.85 -1.07 -5.04 119.74 112.23 1ogd s LYS 45 Ca 0.00 -0.67 -0.36 0.00 -1.00 0.00 0.00 55.97 53.95 1ogd s LYS 45 Cb 0.00 0.53 -0.14 0.00 -2.06 0.00 0.00 37.83 36.16 1ogd s LYS 45 CO 0.00 -0.62 1.71 -2.30 0.10 0.00 0.00 175.35 174.24 1ogd n PRO 46 N -0.41 1.82 -0.46 1.78 -0.02 -1.26 -0.81 135.00 135.64 1ogd n PRO 46 Ca -0.09 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 1ogd n PRO 46 Cb 0.62 -2.43 0.00 0.00 -0.02 0.00 0.00 33.50 31.67 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 3.88 0.90 2.66 -1.23 0.00 0.25 -4.99 105.19 106.66 1ogd n GLY 47 Ca 0.22 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.99 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 0.44 0.64 0.99 2.96 0.01 -3.35 118.68 120.37 1ogd s LEU 48 Ca 0.00 -0.39 -0.11 0.00 -0.22 0.00 0.00 54.13 53.41 1ogd s LEU 48 Cb 0.00 -0.29 -0.03 0.00 0.50 0.00 0.00 46.19 46.38 1ogd s LEU 48 CO 0.00 -0.30 1.04 -2.84 -1.32 0.00 0.00 176.35 172.93 1ogd s PRO 49 N 2.09 3.42 0.38 0.98 0.02 -1.26 -0.44 135.00 140.19 1ogd s PRO 49 Ca 0.03 0.81 -0.10 0.00 0.02 0.00 0.00 61.00 61.76 1ogd s PRO 49 Cb -0.15 -2.06 -0.06 0.00 0.02 0.00 0.00 34.50 32.26 1ogd s PRO 49 CO -0.07 -0.71 0.73 0.00 -0.33 0.00 0.00 177.00 176.62 1ogd s ALA 50 N -3.13 3.39 0.20 -1.55 0.00 -1.21 -0.68 121.76 118.78 1ogd s ALA 50 Ca 0.56 -0.26 -0.11 0.00 0.00 0.00 0.00 51.96 52.16 1ogd s ALA 50 Cb -0.12 -2.64 0.24 0.00 0.00 0.00 0.00 23.12 20.60 1ogd s ALA 50 CO 0.54 0.04 1.75 0.35 0.00 0.00 0.00 175.76 178.44 1ogd h PHE 51 N 1.35 0.40 -0.18 0.00 3.57 -1.94 -1.68 116.94 118.46 1ogd h PHE 51 Ca -0.47 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.05 1ogd h PHE 51 Cb 1.19 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.83 1ogd h PHE 51 CO 0.60 0.12 0.11 1.96 -2.23 0.00 0.00 178.31 178.87 1ogd h GLN 52 N 0.42 0.25 -0.69 1.11 4.20 -1.98 -0.61 115.11 117.80 1ogd h GLN 52 Ca 0.28 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.97 1ogd h GLN 52 Cb 0.32 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.01 1ogd h GLN 52 CO -0.27 0.22 0.44 -0.44 -0.67 0.00 0.00 178.83 178.10 1ogd h ASP 53 N 0.21 0.81 -0.24 1.46 3.32 -1.86 -0.72 116.42 119.40 1ogd h ASP 53 Ca 0.06 -0.04 -0.04 0.00 0.02 0.00 0.00 57.03 57.04 1ogd h ASP 53 Cb 0.03 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.37 1ogd h ASP 53 CO -0.01 0.61 -0.00 0.74 -1.72 0.00 0.00 179.24 178.86 1ogd h THR 54 N 0.94 1.26 -0.61 0.35 2.02 -1.14 -2.62 112.91 113.10 1ogd h THR 54 Ca 0.25 -0.91 -0.01 0.00 0.77 0.00 0.00 66.41 66.52 1ogd h THR 54 Cb -0.07 1.38 -0.03 0.00 -1.74 0.00 0.00 68.15 67.69 1ogd h THR 54 CO -0.05 0.28 0.35 0.00 0.37 0.00 0.00 175.52 176.47 1ogd h ALA 55 N 0.80 1.46 -0.38 6.16 0.00 -0.91 -2.12 119.26 124.27 1ogd h ALA 55 Ca 0.07 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1ogd h ALA 55 Cb 0.42 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1ogd h ALA 55 CO 0.01 0.45 0.11 0.00 0.00 0.00 0.00 179.25 179.83 1ogd h ALA 56 N 1.54 0.50 -0.32 0.00 0.00 -0.96 -0.94 119.26 119.07 1ogd h ALA 56 Ca 0.22 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1ogd h ALA 56 Cb -0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1ogd h ALA 56 CO -0.04 0.15 0.12 0.28 0.00 0.00 0.00 179.25 179.76 1ogd h VAL 57 N 0.47 1.19 -0.78 0.00 2.07 -1.17 -2.85 116.25 115.18 1ogd h VAL 57 Ca 0.12 -0.61 -0.02 0.00 0.82 0.00 0.00 66.70 67.02 1ogd h VAL 57 Cb 0.27 0.99 -0.04 0.00 -1.52 0.00 0.00 31.29 30.99 1ogd h VAL 57 CO -0.00 0.21 0.42 -0.07 0.02 0.00 0.00 177.57 178.15 1ogd h LEU 58 N 0.37 0.97 -1.14 2.57 -0.00 -1.28 -2.57 115.31 114.22 1ogd h LEU 58 Ca 0.11 -0.08 0.06 0.00 -0.00 0.00 0.00 57.88 57.96 1ogd h LEU 58 Cb 0.21 -0.25 -0.06 0.00 -0.00 0.00 0.00 40.66 40.57 1ogd h LEU 58 CO -0.01 0.78 0.59 0.00 -0.00 0.00 0.00 178.44 179.81 1ogd h ALA 59 N 1.38 1.49 -0.00 1.53 0.00 -0.94 -0.26 119.26 122.46 1ogd h ALA 59 Ca 0.27 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1ogd h ALA 59 Cb 0.03 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.54 1ogd h ALA 59 CO -0.04 0.38 -0.32 -0.85 0.00 0.00 0.00 179.25 178.42 1ogd n GLU 60 N -4.48 0.22 0.00 0.00 0.28 -1.00 -3.91 120.64 111.75 1ogd n GLU 60 Ca 0.13 -0.11 0.05 0.00 -0.16 0.00 0.00 57.16 57.07 1ogd n GLU 60 Cb 0.18 -1.50 -0.05 0.00 1.43 0.00 0.00 31.44 31.50 1ogd n GLU 60 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1ogd n GLU 61 N -1.30 3.51 -4.39 3.44 -0.58 -0.91 -4.99 120.64 115.43 1ogd n GLU 61 Ca 0.08 -0.10 -0.20 0.00 -0.42 0.00 0.00 57.16 56.51 1ogd n GLU 61 Cb 0.33 -0.98 -0.15 0.00 -0.57 0.00 0.00 31.44 30.07 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 -1.82 0.96 -0.48 3.49 1.75 -0.16 -4.95 119.30 118.10 1ogd s MET 62 Ca 0.04 -0.30 -0.28 0.00 -1.25 0.00 0.00 55.69 53.90 1ogd s MET 62 Cb 0.07 -0.90 0.03 0.00 2.84 0.00 0.00 34.83 36.88 1ogd s MET 62 CO 0.37 0.11 1.09 0.00 -0.65 0.00 0.00 175.02 175.94 1ogd s ALA 63 N 0.20 3.16 -0.21 4.11 0.00 -1.26 -4.67 121.76 123.09 1ogd s ALA 63 Ca -0.03 -0.59 -0.08 0.00 0.00 0.00 0.00 51.96 51.26 1ogd s ALA 63 Cb -0.09 -3.85 -0.04 0.00 0.00 0.00 0.00 23.12 19.15 1ogd s ALA 63 CO 0.00 -2.25 0.09 0.08 0.00 0.00 0.00 175.76 173.68 1ogd s VAL 64 N 4.33 4.87 -0.58 0.00 1.01 -1.26 0.19 120.40 128.95 1ogd s VAL 64 Ca 0.45 0.00 0.17 0.00 0.00 0.00 0.00 61.98 62.60 1ogd s VAL 64 Cb -0.08 -3.22 -0.21 0.00 0.00 0.00 0.00 36.38 32.87 1ogd s VAL 64 CO 0.30 0.41 0.62 -1.84 0.00 0.00 0.00 175.10 174.60 1ogd n GLU 65 N 3.92 1.19 -3.63 2.72 0.28 -0.12 -4.75 120.64 120.25 1ogd n GLU 65 Ca -0.16 -0.04 -0.12 0.00 -0.16 0.00 0.00 57.16 56.67 1ogd n GLU 65 Cb 0.52 -1.33 -0.07 0.00 1.43 0.00 0.00 31.44 31.99 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 -2.76 0.72 0.03 3.44 2.20 -1.20 -3.64 119.74 118.53 1ogd s LYS 66 Ca 0.03 0.88 0.07 0.00 -0.36 0.00 0.00 55.97 56.59 1ogd s LYS 66 Cb 0.12 0.35 -0.03 0.00 -1.51 0.00 0.00 37.83 36.76 1ogd s LYS 66 CO 0.70 -0.09 -0.21 0.08 -0.36 0.00 0.00 175.35 175.47 1ogd s VAL 67 N 0.38 2.56 -0.07 4.02 1.01 0.17 -0.61 120.40 127.86 1ogd s VAL 67 Ca 0.01 -1.18 0.01 0.00 0.00 0.00 0.00 61.98 60.81 1ogd s VAL 67 Cb -0.05 -2.03 0.02 0.00 0.00 0.00 0.00 36.38 34.32 1ogd s VAL 67 CO -0.02 0.40 -0.08 -0.63 0.00 0.00 0.00 175.10 174.77 1ogd s ILE 68 N -0.84 0.85 0.23 2.22 1.01 -0.27 -0.89 121.20 123.51 1ogd s ILE 68 Ca 0.13 -0.27 0.01 0.00 0.00 0.00 0.00 60.65 60.52 1ogd s ILE 68 Cb -0.10 -0.84 -0.05 0.00 0.01 0.00 0.00 42.46 41.48 1ogd s ILE 68 CO 0.03 0.31 0.09 0.00 0.00 0.00 0.00 174.94 175.37 1ogd s ALA 69 N 1.08 1.52 0.07 9.38 0.00 -0.68 -0.38 121.76 132.75 1ogd s ALA 69 Ca -0.08 -1.78 -0.22 0.00 0.00 0.00 0.00 51.96 49.89 1ogd s ALA 69 Cb -0.14 1.06 -0.06 0.00 0.00 0.00 0.00 23.12 23.97 1ogd s ALA 69 CO -0.01 -0.47 0.64 0.00 0.00 0.00 0.00 175.76 175.92 1ogd s ALA 70 N -3.85 3.50 0.30 0.00 0.00 -1.26 -1.72 121.76 118.73 1ogd s ALA 70 Ca 0.36 0.13 0.05 0.00 0.00 0.00 0.00 51.96 52.50 1ogd s ALA 70 Cb 0.07 -2.78 0.69 0.00 0.00 0.00 0.00 23.12 21.11 1ogd s ALA 70 CO 0.12 0.27 1.79 0.00 0.00 0.00 0.00 175.76 177.93 1ogd h ALA 71 N 4.96 1.62 -0.81 0.00 0.00 -0.13 -0.83 119.26 124.06 1ogd h ALA 71 Ca -0.47 0.07 0.23 0.00 0.00 0.00 0.00 54.91 54.74 1ogd h ALA 71 Cb 1.21 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 1ogd h ALA 71 CO 0.67 0.01 0.75 0.93 0.00 0.00 0.00 179.25 181.61 1ogd h GLU 72 N 0.81 0.00 -0.33 0.00 3.07 -1.93 -0.64 114.58 115.56 1ogd h GLU 72 Ca 0.56 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 59.39 1ogd h GLU 72 Cb 0.80 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.69 1ogd h GLU 72 CO -0.36 0.00 0.06 0.97 -1.40 0.00 0.00 179.01 178.29 1ogd h ILE 73 N 0.00 1.16 -0.31 3.13 2.10 -1.41 -1.01 117.51 121.17 1ogd h ILE 73 Ca 0.38 -0.59 -0.03 0.00 1.08 0.00 0.00 64.86 65.70 1ogd h ILE 73 Cb 1.89 0.84 -0.02 0.00 -1.09 0.00 0.00 36.82 38.45 1ogd h ILE 73 CO -0.00 0.21 0.08 0.11 -1.08 0.00 0.00 178.15 177.47 1ogd h LYS 74 N 0.48 0.45 0.05 2.19 1.57 -1.30 0.13 116.57 120.14 1ogd h LYS 74 Ca 0.11 -0.06 -0.32 0.00 -1.87 0.00 0.00 60.65 58.51 1ogd h LYS 74 Cb 0.21 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.41 1ogd h LYS 74 CO -0.00 0.42 -1.76 0.00 -0.57 0.00 0.00 179.45 177.54 1ogd n ALA 75 N -2.48 0.91 0.14 3.86 0.00 -0.99 -4.13 120.51 117.81 1ogd n ALA 75 Ca 0.01 -0.63 0.10 0.00 0.00 0.00 0.00 53.44 52.93 1ogd n ALA 75 Cb 0.17 -0.51 0.05 0.00 0.00 0.00 0.00 19.45 19.15 1ogd n ALA 75 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1ogd h SER 76 N -0.51 0.00 -1.85 0.00 0.02 -1.24 -3.40 113.55 106.56 1ogd h SER 76 Ca -0.43 0.00 -0.50 0.00 -0.84 0.00 0.00 61.79 60.02 1ogd h SER 76 Cb 1.66 0.00 -0.38 0.00 0.14 0.00 0.00 62.40 63.83 1ogd h SER 76 CO -0.11 0.07 -1.10 -3.20 -1.14 0.00 0.00 176.83 171.36 1ogd n ASN 77 N -2.85 0.23 -0.27 3.07 2.85 0.46 -4.78 115.26 113.97 1ogd n ASN 77 Ca 0.01 -2.88 0.06 0.00 -0.11 0.00 0.00 54.58 51.65 1ogd n ASN 77 Cb 0.58 -0.44 0.29 0.00 1.24 0.00 0.00 39.78 41.44 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 3.56 0.88 0.18 1.20 5.75 -1.71 -1.33 115.11 123.66 1ogd h GLN 78 Ca 0.07 -0.05 -0.01 0.00 -0.15 0.00 0.00 58.65 58.51 1ogd h GLN 78 Cb 0.93 -0.20 0.00 0.00 1.07 0.00 0.00 27.48 29.28 1ogd h GLN 78 CO 0.46 0.59 -0.09 1.49 -2.65 0.00 0.00 178.83 178.63 1ogd h GLU 79 N 0.91 -0.24 0.00 1.69 4.81 -1.93 -1.80 114.58 118.02 1ogd h GLU 79 Ca 0.38 0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.60 1ogd h GLU 79 Cb 0.30 0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.73 1ogd h GLU 79 CO -0.15 -0.06 -0.12 -0.91 -0.73 0.00 0.00 179.01 177.04 1ogd h ASN 80 N -0.37 0.00 -0.17 1.04 2.35 -1.89 -2.19 115.58 114.36 1ogd h ASN 80 Ca -0.02 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.58 1ogd h ASN 80 Cb 0.29 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.65 1ogd h ASN 80 CO 0.04 0.12 -0.39 0.00 -1.65 0.00 0.00 177.43 175.56 1ogd h ALA 81 N 1.88 0.76 -0.16 -0.83 0.00 -0.96 -2.67 119.26 117.29 1ogd h ALA 81 Ca -0.00 -0.44 -0.20 0.00 0.00 0.00 0.00 54.91 54.26 1ogd h ALA 81 Cb 0.64 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.32 1ogd h ALA 81 CO 0.02 0.66 -0.69 0.87 0.00 0.00 0.00 179.25 180.10 1ogd h LYS 82 N 0.58 0.75 -0.42 0.00 1.57 -0.99 -2.93 116.57 115.12 1ogd h LYS 82 Ca 0.05 -0.59 0.09 0.00 -1.87 0.00 0.00 60.65 58.32 1ogd h LYS 82 Cb 0.92 0.12 -0.08 0.00 0.08 0.00 0.00 32.23 33.27 1ogd h LYS 82 CO 0.08 1.21 -0.11 0.35 -0.57 0.00 0.00 179.45 180.41 1ogd h PHE 83 N 0.46 -0.25 -0.09 -1.35 3.57 -1.32 0.34 116.94 118.31 1ogd h PHE 83 Ca -0.04 0.04 0.02 0.00 3.53 0.00 0.00 57.97 61.52 1ogd h PHE 83 Cb 1.32 0.18 -0.02 0.00 2.79 0.00 0.00 35.95 40.22 1ogd h PHE 83 CO 0.09 -0.19 -0.03 -0.07 -2.23 0.00 0.00 178.31 175.88 1ogd h LEU 84 N -0.01 -0.11 -0.67 0.59 3.38 -1.48 0.43 115.31 117.44 1ogd h LEU 84 Ca 0.20 0.03 0.06 0.00 0.09 0.00 0.00 57.88 58.26 1ogd h LEU 84 Cb 0.32 0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.08 1ogd h LEU 84 CO -0.44 -0.04 0.37 -0.33 0.09 0.00 0.00 178.44 178.09 1ogd h GLU 85 N -0.01 0.66 -0.20 1.13 4.39 -1.21 0.92 114.58 120.25 1ogd h GLU 85 Ca 0.05 -0.04 -0.09 0.00 0.34 0.00 0.00 59.36 59.62 1ogd h GLU 85 Cb 0.08 -0.15 -0.00 0.00 -0.10 0.00 0.00 28.75 28.58 1ogd h GLU 85 CO -0.10 0.44 -0.21 -0.91 -1.16 0.00 0.00 179.01 177.07 1ogd h ASN 86 N 0.68 0.54 -0.40 1.42 -0.26 -0.58 -3.16 115.58 113.83 1ogd h ASN 86 Ca 0.30 -0.48 -0.06 0.00 -0.56 0.00 0.00 56.30 55.49 1ogd h ASN 86 Cb 0.18 -0.15 -0.01 0.00 -1.06 0.00 0.00 38.32 37.28 1ogd h ASN 86 CO -0.18 0.91 0.00 0.25 -1.06 0.00 0.00 177.43 177.36 1ogd h LEU 87 N 0.18 0.69 -5.94 1.61 5.85 0.12 -3.28 115.31 114.54 1ogd h LEU 87 Ca 0.03 -0.31 -0.75 0.00 0.84 0.00 0.00 57.88 57.70 1ogd h LEU 87 Cb 0.77 -0.19 -0.31 0.00 0.37 0.00 0.00 40.66 41.30 1ogd h LEU 87 CO 0.05 0.83 0.59 0.49 -0.34 0.00 0.00 178.44 180.06 1ogd n PHE 88 N -4.45 3.12 0.11 1.25 3.01 0.29 -4.82 117.46 115.97 1ogd n PHE 88 Ca -0.01 -2.93 -0.12 0.00 1.01 0.00 0.00 57.45 55.40 1ogd n PHE 88 Cb 0.29 -1.00 -0.06 0.00 -0.01 0.00 0.00 39.48 38.69 1ogd n PHE 88 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 1ogd h SER 89 N 3.84 -0.45 0.77 4.37 0.02 -1.61 -3.15 113.55 117.35 1ogd h SER 89 Ca 0.43 0.05 -0.17 0.00 -0.84 0.00 0.00 61.79 61.26 1ogd h SER 89 Cb 0.36 0.17 -0.02 0.00 0.14 0.00 0.00 62.40 63.05 1ogd h SER 89 CO 1.09 -0.24 -0.82 -0.33 -1.14 0.00 0.00 176.83 175.40 1ogd h GLU 90 N -0.33 0.03 -7.29 3.45 5.08 -1.90 -3.46 114.58 110.15 1ogd h GLU 90 Ca 0.02 -0.03 -0.51 0.00 -1.00 0.00 0.00 59.36 57.83 1ogd h GLU 90 Cb 0.34 0.01 0.11 0.00 0.50 0.00 0.00 28.75 29.71 1ogd h GLU 90 CO -0.07 0.83 0.35 -0.65 -1.00 0.00 0.00 179.01 178.46 1ogd s GLN 91 N -3.18 2.66 -0.18 2.33 1.11 -1.19 -5.00 119.66 116.20 1ogd s GLN 91 Ca -0.01 1.13 -0.24 0.00 0.01 0.00 0.00 55.36 56.25 1ogd s GLN 91 Cb 0.11 -1.95 -0.01 0.00 -1.01 0.00 0.00 33.01 30.15 1ogd s GLN 91 CO 0.80 -1.33 0.80 -2.00 0.01 0.00 0.00 175.29 173.56 1ogd s GLU 92 N -4.76 4.27 -0.28 2.91 2.12 -1.24 -4.93 118.70 116.79 1ogd s GLU 92 Ca 0.61 0.94 -0.08 0.00 0.36 0.00 0.00 54.97 56.80 1ogd s GLU 92 Cb -0.16 -3.59 -0.01 0.00 0.26 0.00 0.00 34.13 30.63 1ogd s GLU 92 CO 0.52 -0.34 0.09 0.42 -0.54 0.00 0.00 175.26 175.41 1ogd s ILE 93 N 2.21 4.26 -0.09 -3.70 1.01 -1.26 -0.66 121.20 122.97 1ogd s ILE 93 Ca 0.36 -0.43 -0.00 0.00 0.00 0.00 0.00 60.65 60.58 1ogd s ILE 93 Cb -0.16 -3.11 -0.03 0.00 0.01 0.00 0.00 42.46 39.17 1ogd s ILE 93 CO 0.11 0.17 -0.06 -0.70 0.00 0.00 0.00 174.94 174.46 1ogd s GLU 94 N 1.57 3.02 -0.07 2.79 2.12 -0.07 -4.99 118.70 123.07 1ogd s GLU 94 Ca 0.05 -0.55 0.02 0.00 0.36 0.00 0.00 54.97 54.85 1ogd s GLU 94 Cb -0.16 -2.67 -0.03 0.00 0.26 0.00 0.00 34.13 31.53 1ogd s GLU 94 CO 0.04 0.54 -0.11 0.71 -0.54 0.00 0.00 175.26 175.89 1ogd s TYR 95 N -0.46 2.81 0.22 5.30 1.51 -1.26 -1.68 117.35 123.78 1ogd s TYR 95 Ca 0.07 -0.14 0.00 0.00 -1.01 0.00 0.00 57.07 55.99 1ogd s TYR 95 Cb -0.12 -1.69 -0.05 0.00 -0.11 0.00 0.00 41.96 39.99 1ogd s TYR 95 CO 0.02 0.20 0.09 -0.51 -1.11 0.00 0.00 175.55 174.24 1ogd s LEU 96 N -0.63 1.57 0.68 -1.29 1.43 -0.70 -4.80 118.68 114.95 1ogd s LEU 96 Ca 0.09 -1.34 -0.14 0.00 -1.03 0.00 0.00 54.13 51.71 1ogd s LEU 96 Cb -0.11 0.15 0.01 0.00 0.03 0.00 0.00 46.19 46.27 1ogd s LEU 96 CO 0.01 -0.74 1.11 -0.94 0.23 0.00 0.00 176.35 176.03 1ogd s SER 97 N -3.22 4.92 0.43 2.29 1.04 -1.26 0.62 113.70 118.51 1ogd s SER 97 Ca 0.35 2.00 0.11 0.00 0.48 0.00 0.00 55.95 58.89 1ogd s SER 97 Cb 0.07 -2.55 0.97 0.00 0.10 0.00 0.00 66.02 64.62 1ogd s SER 97 CO 0.11 -1.76 2.01 -0.74 0.98 0.00 0.00 173.24 173.84 1ogd h HIS 98 N -0.20 0.46 -0.26 5.02 2.76 -1.94 -1.12 115.15 119.88 1ogd h HIS 98 Ca -0.46 0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 57.69 1ogd h HIS 98 Cb 1.25 -0.15 -0.01 0.00 1.55 0.00 0.00 27.41 30.05 1ogd h HIS 98 CO 0.54 0.24 0.05 0.93 -1.30 0.00 0.00 177.93 178.39 1ogd h GLU 99 N 0.45 0.43 -0.61 5.26 4.39 -2.00 -1.51 114.58 120.99 1ogd h GLU 99 Ca 0.23 -0.11 -0.08 0.00 0.34 0.00 0.00 59.36 59.74 1ogd h GLU 99 Cb 0.33 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.90 1ogd h GLU 99 CO -0.06 0.55 0.08 0.93 -1.16 0.00 0.00 179.01 179.35 1ogd h GLU 100 N 0.25 1.01 -0.11 2.33 5.08 -1.80 -2.80 114.58 118.54 1ogd h GLU 100 Ca 0.08 -0.27 0.04 0.00 -1.00 0.00 0.00 59.36 58.21 1ogd h GLU 100 Cb 0.32 -0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.41 1ogd h GLU 100 CO 0.00 0.95 -0.19 0.35 -1.00 0.00 0.00 179.01 179.12 1ogd h PHE 101 N 0.95 -0.51 -0.70 4.33 3.57 -0.96 -1.68 116.94 121.95 1ogd h PHE 101 Ca 0.19 0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.79 1ogd h PHE 101 Cb 0.44 0.24 -0.04 0.00 2.79 0.00 0.00 35.95 39.38 1ogd h PHE 101 CO 0.03 -0.27 0.46 0.87 -2.23 0.00 0.00 178.31 177.17 1ogd h LYS 102 N -0.26 0.65 -0.76 1.11 1.57 -1.10 -1.39 116.57 116.40 1ogd h LYS 102 Ca 0.09 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.78 1ogd h LYS 102 Cb 0.39 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.52 1ogd h LYS 102 CO -0.26 0.43 0.25 -0.07 -0.57 0.00 0.00 179.45 179.23 1ogd h LEU 103 N 0.67 1.09 -1.44 2.94 3.38 -1.07 -2.65 115.31 118.22 1ogd h LEU 103 Ca 0.31 -0.20 -0.06 0.00 0.09 0.00 0.00 57.88 58.02 1ogd h LEU 103 Cb 0.34 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1ogd h LEU 103 CO -0.10 1.00 -0.28 -0.07 0.09 0.00 0.00 178.44 179.08 1ogd h LEU 104 N 1.12 0.00 -1.35 1.67 4.07 -0.64 -2.81 115.31 117.38 1ogd h LEU 104 Ca 0.25 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.21 1ogd h LEU 104 Cb 0.29 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.03 1ogd h LEU 104 CO -0.01 0.28 0.00 0.71 -1.08 0.00 0.00 178.44 178.34 1ogd h THR 105 N 0.00 0.00 0.00 0.22 1.35 -1.11 -1.99 112.91 111.37 1ogd h THR 105 Ca -0.00 -0.17 0.00 0.00 -0.55 0.00 0.00 66.41 65.69 1ogd h THR 105 Cb 0.54 0.90 0.00 0.00 -1.73 0.00 0.00 68.15 67.86 1ogd h THR 105 CO 0.04 0.00 0.00 0.11 -0.25 0.00 0.00 175.52 175.42 1ogd h LYS 106 N 0.00 0.00 -0.01 4.72 1.57 -1.59 -2.38 116.57 118.87 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 0.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.53 1ogd h LYS 106 CO 0.00 0.00 -0.48 -0.25 -0.57 0.00 0.00 179.45 178.15 1ogd n ASP 107 N -2.78 1.67 -4.76 0.86 8.00 -0.75 -4.93 116.55 113.86 1ogd n ASP 107 Ca 0.01 -1.30 -0.37 0.00 0.71 0.00 0.00 54.79 53.84 1ogd n ASP 107 Cb 0.24 0.45 0.02 0.00 -0.02 0.00 0.00 41.12 41.81 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 -2.55 2.75 -0.35 2.24 0.00 -0.90 -4.68 121.76 118.27 1ogd s ALA 108 Ca 0.18 1.03 0.24 0.00 0.00 0.00 0.00 51.96 53.42 1ogd s ALA 108 Cb 0.18 -3.44 0.49 0.00 0.00 0.00 0.00 23.12 20.35 1ogd s ALA 108 CO 0.60 -1.00 1.66 0.87 0.00 0.00 0.00 175.76 177.89 1ogd h LYS 109 N 1.41 0.00 -1.69 0.00 1.79 -0.74 -3.45 116.57 113.89 1ogd h LYS 109 Ca -0.50 0.00 0.20 0.00 -2.18 0.00 0.00 60.65 58.17 1ogd h LYS 109 Cb 1.28 0.00 -0.19 0.00 -1.58 0.00 0.00 32.23 31.74 1ogd h LYS 109 CO 0.57 0.02 0.71 0.00 -1.08 0.00 0.00 179.45 179.67 1ogd s ALA 110 N -3.27 -1.99 -0.12 3.86 0.00 -1.26 -4.12 121.76 114.86 1ogd s ALA 110 Ca 0.06 1.45 0.03 0.00 0.00 0.00 0.00 51.96 53.50 1ogd s ALA 110 Cb 0.06 -0.09 0.01 0.00 0.00 0.00 0.00 23.12 23.10 1ogd s ALA 110 CO 0.65 -0.58 -0.20 0.08 0.00 0.00 0.00 175.76 175.72 1ogd s VAL 111 N -2.43 1.84 -0.33 0.00 1.01 0.21 -0.97 120.40 119.72 1ogd s VAL 111 Ca 0.07 -0.86 -0.11 0.00 0.00 0.00 0.00 61.98 61.09 1ogd s VAL 111 Cb -0.01 -1.64 0.00 0.00 0.00 0.00 0.00 36.38 34.74 1ogd s VAL 111 CO -0.06 0.51 0.18 -0.63 0.00 0.00 0.00 175.10 175.11 1ogd s ILE 112 N 0.76 4.72 -0.21 2.22 1.01 0.21 -1.18 121.20 128.73 1ogd s ILE 112 Ca -0.10 -0.50 -0.20 0.00 0.00 0.00 0.00 60.65 59.86 1ogd s ILE 112 Cb -0.16 -3.47 -0.03 0.00 0.01 0.00 0.00 42.46 38.81 1ogd s ILE 112 CO 0.01 -0.03 0.59 -0.60 0.00 0.00 0.00 174.94 174.91 1ogd s ARG 113 N 1.62 4.18 0.58 2.79 3.52 -0.34 -0.02 118.95 131.28 1ogd s ARG 113 Ca 0.04 0.53 0.09 0.00 -0.13 0.00 0.00 55.73 56.26 1ogd s ARG 113 Cb -0.18 -3.59 0.08 0.00 -1.56 0.00 0.00 34.95 29.70 1ogd s ARG 113 CO 0.07 -0.25 0.70 0.95 -0.81 0.00 0.00 175.30 175.96 1ogd s THR 114 N 1.97 1.95 -1.41 4.11 -4.23 -0.33 -1.16 115.64 116.54 1ogd s THR 114 Ca 0.26 -1.13 0.13 0.00 -1.18 0.00 0.00 61.69 59.78 1ogd s THR 114 Cb -0.16 -2.08 0.50 0.00 1.34 0.00 0.00 72.50 72.10 1ogd s THR 114 CO 0.10 0.00 1.37 0.61 -0.54 0.00 0.00 174.62 176.16 1ogd n GLY 115 N -2.14 1.84 3.66 3.99 0.00 0.15 -3.49 105.19 109.20 1ogd n GLY 115 Ca 0.11 -0.59 -0.42 0.00 0.00 0.00 0.00 46.02 45.12 1ogd n GLY 115 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ogd s GLU 116 N -1.67 4.14 -0.54 1.61 2.56 -1.21 0.87 118.70 124.46 1ogd s GLU 116 Ca 0.36 2.52 0.01 0.00 0.00 0.00 0.00 54.97 57.86 1ogd s GLU 116 Cb 0.22 -4.13 0.45 0.00 2.00 0.00 0.00 34.13 32.68 1ogd s GLU 116 CO 0.19 -0.94 1.74 1.19 -0.56 0.00 0.00 175.26 176.87 1ogd n PHE 117 N 7.49 3.07 -4.61 5.30 3.01 -1.26 -1.40 117.46 129.05 1ogd n PHE 117 Ca 0.19 -2.75 -0.25 0.00 1.01 0.00 0.00 57.45 55.65 1ogd n PHE 117 Cb 0.41 -1.06 -0.14 0.00 -0.01 0.00 0.00 39.48 38.68 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 -4.75 1.67 0.12 4.37 -4.23 -1.26 -5.07 115.64 106.49 1ogd s THR 118 Ca 0.60 -1.23 -0.35 0.00 -1.18 0.00 0.00 61.69 59.52 1ogd s THR 118 Cb 0.47 -1.46 -0.16 0.00 1.34 0.00 0.00 72.50 72.70 1ogd s THR 118 CO 0.01 0.18 1.41 -2.65 -0.54 0.00 0.00 174.62 173.03 1ogd n PRO 119 N 1.78 1.49 -2.98 3.99 -0.02 -1.26 -3.21 135.00 134.79 1ogd n PRO 119 Ca -0.17 0.54 -0.20 0.00 -2.02 0.00 0.00 63.50 61.65 1ogd n PRO 119 Cb 0.53 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.80 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 2.73 -1.69 -2.14 6.00 4.02 -1.26 -4.45 117.16 120.38 1ogd n TYR 120 Ca 0.18 0.32 -0.42 0.00 -0.01 0.00 0.00 57.90 57.97 1ogd n TYR 120 Cb 0.23 -3.24 0.00 0.00 -0.02 0.00 0.00 39.34 36.31 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 -3.08 5.60 -2.91 -0.72 0.00 -1.20 -4.67 120.51 113.53 1ogd n ALA 121 Ca -0.08 -4.18 -0.11 0.00 0.00 0.00 0.00 53.44 49.07 1ogd n ALA 121 Cb 0.58 -3.10 -0.12 0.00 0.00 0.00 0.00 19.45 16.82 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 1.37 0.47 0.01 0.00 -0.87 -1.26 -2.46 114.94 112.20 1ogd s ASN 122 Ca 0.43 -0.45 -0.25 0.00 -1.57 0.00 0.00 52.86 51.02 1ogd s ASN 122 Cb 0.12 0.06 0.06 0.00 -0.02 0.00 0.00 41.25 41.46 1ogd s ASN 122 CO -0.03 -0.22 0.56 0.00 -2.57 0.00 0.00 177.10 174.85 1ogd s ILE 124 N -1.94 3.90 -0.24 0.00 1.01 0.48 -1.07 121.20 123.35 1ogd s ILE 124 Ca -0.08 -0.35 -0.08 0.00 0.00 0.00 0.00 60.65 60.14 1ogd s ILE 124 Cb -0.01 -2.73 -0.04 0.00 0.01 0.00 0.00 42.46 39.70 1ogd s ILE 124 CO 0.03 0.47 0.10 -0.76 0.00 0.00 0.00 174.94 174.78 1ogd s LEU 125 N 0.55 3.71 -0.27 2.97 1.43 -0.48 -1.11 118.68 125.48 1ogd s LEU 125 Ca -0.02 -0.07 -0.12 0.00 -1.03 0.00 0.00 54.13 52.89 1ogd s LEU 125 Cb -0.14 -1.99 -0.05 0.00 0.03 0.00 0.00 46.19 44.04 1ogd s LEU 125 CO 0.02 0.03 0.24 -1.58 0.23 0.00 0.00 176.35 175.29 1ogd s GLN 126 N 1.26 4.00 0.29 1.70 0.74 0.22 -2.37 119.66 125.49 1ogd s GLN 126 Ca 0.05 -0.19 -0.30 0.00 0.05 0.00 0.00 55.36 54.97 1ogd s GLN 126 Cb -0.14 -3.63 -0.11 0.00 1.10 0.00 0.00 33.01 30.22 1ogd s GLN 126 CO 0.04 -0.15 1.59 0.00 -0.55 0.00 0.00 175.29 176.22 1ogd s ALA 127 N 1.69 3.74 0.14 1.58 0.00 0.33 -0.94 121.76 128.29 1ogd s ALA 127 Ca 0.10 1.56 0.00 0.00 0.00 0.00 0.00 51.96 53.62 1ogd s ALA 127 Cb -0.15 -3.64 0.00 0.00 0.00 0.00 0.00 23.12 19.32 1ogd s ALA 127 CO 0.09 -0.97 0.00 0.41 0.00 0.00 0.00 175.76 175.29 1ogd n GLY 128 N 2.16 1.61 3.11 0.00 0.00 0.13 -0.88 105.19 111.33 1ogd n GLY 128 Ca 0.08 -1.94 -0.17 0.00 0.00 0.00 0.00 46.02 43.99 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 1.98 0.88 -2.05 1.61 0.11 -1.26 -4.22 120.40 117.44 1ogd s VAL 129 Ca 0.00 -1.08 0.11 0.00 -2.93 0.00 0.00 61.98 58.08 1ogd s VAL 129 Cb 0.00 -0.86 0.30 0.00 -1.53 0.00 0.00 36.38 34.29 1ogd s VAL 129 CO 0.00 -0.20 1.30 0.18 -3.33 0.00 0.00 175.10 173.05 1ogd n LEU 130 N 1.60 1.38 0.00 2.54 4.77 -1.26 -5.09 117.00 120.95 1ogd n LEU 130 Ca -0.20 -0.67 0.00 0.00 -0.03 0.00 0.00 56.01 55.11 1ogd n LEU 130 Cb 0.55 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 1ogd n LEU 130 CO 0.22 0.33 0.00 2.22 -1.33 0.00 0.00 177.39 178.83