#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ogf s LYS 2 N 0.00 4.25 0.04 0.03 2.20 -1.26 -4.94 119.74 120.06 1ogf s LYS 2 Ca 0.00 2.23 -0.17 0.00 -0.36 0.00 0.00 55.97 57.67 1ogf s LYS 2 Cb 0.00 -3.30 -0.21 0.00 -1.51 0.00 0.00 37.83 32.81 1ogf s LYS 2 CO 0.00 -0.58 1.19 0.87 -0.36 0.00 0.00 175.35 176.47 1ogf h LYS 3 N 7.18 0.55 -5.53 4.03 1.57 -2.05 -3.48 116.57 118.84 1ogf h LYS 3 Ca -0.42 -0.52 -0.60 0.00 -1.87 0.00 0.00 60.65 57.24 1ogf h LYS 3 Cb 1.20 0.13 -0.13 0.00 0.08 0.00 0.00 32.23 33.51 1ogf h LYS 3 CO 0.90 1.15 -0.60 -1.01 -0.57 0.00 0.00 179.45 179.32 1ogf s HIS 4 N -3.46 2.36 0.00 -1.35 3.76 -1.26 -5.10 115.29 110.24 1ogf s HIS 4 Ca -0.12 -0.75 0.00 0.00 -0.15 0.00 0.00 55.06 54.04 1ogf s HIS 4 Cb 0.05 -1.65 0.00 0.00 1.11 0.00 0.00 32.58 32.09 1ogf s HIS 4 CO 0.85 0.33 0.00 0.41 -0.85 0.00 0.00 174.74 175.48 1ogf n GLY 5 N -0.92 -2.92 3.77 -2.22 0.00 -1.26 -4.94 105.19 96.70 1ogf n GLY 5 Ca -0.05 -1.82 -0.40 0.00 0.00 0.00 0.00 46.02 43.75 1ogf n GLY 5 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1ogf s ILE 6 N -0.67 2.34 0.28 -0.61 2.07 -1.26 -4.93 121.20 118.41 1ogf s ILE 6 Ca 0.00 0.31 0.14 0.00 -1.41 0.00 0.00 60.65 59.70 1ogf s ILE 6 Cb 0.00 -3.19 0.07 0.00 0.13 0.00 0.00 42.46 39.47 1ogf s ILE 6 CO 0.00 0.06 1.73 0.25 -1.91 0.00 0.00 174.94 175.06 1ogf h LEU 7 N 2.73 0.00 -9.20 8.50 5.85 -2.00 -3.44 115.31 117.75 1ogf h LEU 7 Ca -0.50 0.00 -0.56 0.00 0.84 0.00 0.00 57.88 57.66 1ogf h LEU 7 Cb 1.25 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 42.24 1ogf h LEU 7 CO 0.63 0.46 0.82 0.21 -0.34 0.00 0.00 178.44 180.21 1ogf s ASN 8 N -6.73 7.00 0.16 1.25 3.84 -1.26 -4.94 114.94 114.26 1ogf s ASN 8 Ca -0.01 1.71 -0.16 0.00 0.21 0.00 0.00 52.86 54.61 1ogf s ASN 8 Cb 0.13 -2.55 0.04 0.00 -0.55 0.00 0.00 41.25 38.32 1ogf s ASN 8 CO 0.72 -0.68 1.79 0.77 -2.79 0.00 0.00 177.10 176.91 1ogf h SER 9 N 7.86 0.36 -0.28 -4.21 4.64 -1.99 0.20 113.55 120.13 1ogf h SER 9 Ca -0.29 0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.03 1ogf h SER 9 Cb 1.12 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 63.13 1ogf h SER 9 CO 0.94 0.26 0.14 0.45 -0.87 0.00 0.00 176.83 177.74 1ogf h HIS 10 N 0.46 0.40 -0.69 4.77 3.86 -1.99 -2.54 115.15 119.42 1ogf h HIS 10 Ca 0.16 -0.02 -0.05 0.00 -1.16 0.00 0.00 60.37 59.30 1ogf h HIS 10 Cb 0.02 -0.12 -0.03 0.00 1.06 0.00 0.00 27.41 28.34 1ogf h HIS 10 CO -0.08 0.36 0.23 -0.07 0.86 0.00 0.00 177.93 179.23 1ogf h LEU 11 N 0.32 1.00 -0.95 2.43 3.38 -1.88 -2.61 115.31 117.00 1ogf h LEU 11 Ca 0.10 -0.20 0.03 0.00 0.09 0.00 0.00 57.88 57.89 1ogf h LEU 11 Cb 0.11 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.54 1ogf h LEU 11 CO -0.01 0.94 0.62 0.00 0.09 0.00 0.00 178.44 180.08 1ogf h ALA 12 N 1.10 1.24 -0.76 1.53 0.00 -0.51 0.39 119.26 122.24 1ogf h ALA 12 Ca 0.23 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1ogf h ALA 12 Cb 0.29 -0.35 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 1ogf h ALA 12 CO -0.01 0.53 0.43 0.87 0.00 0.00 0.00 179.25 181.06 1ogf h LYS 13 N 1.23 1.06 -0.15 0.00 1.57 -1.16 0.14 116.57 119.25 1ogf h LYS 13 Ca 0.37 -0.12 -0.02 0.00 -1.87 0.00 0.00 60.65 59.01 1ogf h LYS 13 Cb -0.05 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.05 1ogf h LYS 13 CO -0.11 0.78 0.00 0.82 -0.57 0.00 0.00 179.45 180.37 1ogf h ILE 14 N 1.05 1.25 -0.66 1.86 1.08 -0.95 -3.02 117.51 118.12 1ogf h ILE 14 Ca 0.27 -0.82 -0.04 0.00 -0.39 0.00 0.00 64.86 63.88 1ogf h ILE 14 Cb 0.02 1.50 -0.03 0.00 -3.07 0.00 0.00 36.82 35.24 1ogf h ILE 14 CO -0.04 0.24 0.26 -0.07 -0.69 0.00 0.00 178.15 177.85 1ogf h LEU 15 N 0.01 0.90 -1.15 1.44 3.38 -0.71 -2.59 115.31 116.58 1ogf h LEU 15 Ca 0.04 -0.13 0.16 0.00 0.09 0.00 0.00 57.88 58.04 1ogf h LEU 15 Cb 0.37 -0.23 -0.09 0.00 0.09 0.00 0.00 40.66 40.80 1ogf h LEU 15 CO 0.01 0.81 0.61 0.00 0.09 0.00 0.00 178.44 179.95 1ogf h ALA 16 N 1.32 1.74 -0.01 1.53 0.00 -0.60 -0.96 119.26 122.29 1ogf h ALA 16 Ca 0.22 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1ogf h ALA 16 Cb 0.19 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1ogf h ALA 16 CO -0.02 -0.03 -0.18 -0.25 0.00 0.00 0.00 179.25 178.77 1ogf n ASP 17 N -4.63 0.91 -4.70 0.00 8.00 -0.99 -4.94 116.55 110.20 1ogf n ASP 17 Ca 0.20 -0.88 -0.43 0.00 0.71 0.00 0.00 54.79 54.39 1ogf n ASP 17 Cb 0.50 0.06 -0.03 0.00 -0.02 0.00 0.00 41.12 41.62 1ogf n ASP 17 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1ogf n LEU 18 N -0.64 3.82 -4.69 0.64 4.77 -0.37 -5.00 117.00 115.54 1ogf n LEU 18 Ca 0.14 1.03 -0.25 0.00 -0.03 0.00 0.00 56.01 56.90 1ogf n LEU 18 Cb 0.32 -1.53 -0.08 0.00 -2.33 0.00 0.00 43.42 39.81 1ogf n LEU 18 CO 0.24 0.08 -0.23 -0.83 -1.33 0.00 0.00 177.39 175.32 1ogf s GLY 19 N 1.84 2.20 -0.04 -0.72 0.00 -1.26 -5.03 107.32 104.32 1ogf s GLY 19 Ca 0.79 -2.04 -0.32 0.00 0.00 0.00 0.00 44.72 43.15 1ogf s GLY 19 CO 0.36 -1.91 1.95 1.57 0.00 0.00 0.00 173.10 175.08 1ogf n HIS 20 N -1.09 2.40 -0.16 1.90 -0.00 -1.26 -1.67 115.22 115.33 1ogf n HIS 20 Ca -0.03 -0.20 0.00 0.00 0.46 0.00 0.00 57.72 57.95 1ogf n HIS 20 Cb 0.64 -2.74 0.00 0.00 -0.12 0.00 0.00 29.99 27.77 1ogf n HIS 20 CO 0.00 0.00 0.00 0.25 0.46 0.00 0.00 176.34 177.05 1ogf n THR 21 N 5.53 0.00 -1.57 3.57 -2.24 -0.13 -5.00 114.28 114.44 1ogf n THR 21 Ca 0.22 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.65 1ogf n THR 21 Cb 0.36 0.00 0.08 0.00 -2.10 0.00 0.00 70.33 68.67 1ogf n THR 21 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1ogf s ASP 22 N -2.91 4.42 0.06 3.42 1.01 -0.67 -4.48 116.67 117.52 1ogf s ASP 22 Ca 0.00 2.39 0.09 0.00 0.71 0.00 0.00 52.55 55.74 1ogf s ASP 22 Cb 0.00 -2.59 -0.03 0.00 1.01 0.00 0.00 42.92 41.31 1ogf s ASP 22 CO 0.00 -2.11 -0.24 -0.54 0.21 0.00 0.00 175.17 172.49 1ogf s LYS 23 N -3.75 1.51 0.12 8.23 1.02 -1.26 -0.56 119.74 125.04 1ogf s LYS 23 Ca 0.76 -1.08 0.04 0.00 0.02 0.00 0.00 55.97 55.71 1ogf s LYS 23 Cb -0.30 -1.72 -0.04 0.00 -0.52 0.00 0.00 37.83 35.25 1ogf s LYS 23 CO 0.43 0.43 -0.11 0.96 -0.92 0.00 0.00 175.35 176.14 1ogf s ILE 24 N -0.87 1.08 -0.01 2.17 -4.36 -0.64 -0.06 121.20 118.51 1ogf s ILE 24 Ca 0.10 -1.77 0.07 0.00 -0.26 0.00 0.00 60.65 58.78 1ogf s ILE 24 Cb -0.10 -1.53 -0.03 0.00 1.25 0.00 0.00 42.46 42.06 1ogf s ILE 24 CO 0.03 -0.58 -0.21 -0.69 0.24 0.00 0.00 174.94 173.73 1ogf s VAL 25 N -2.63 2.53 -0.22 8.37 1.01 -0.26 -0.94 120.40 128.27 1ogf s VAL 25 Ca 0.09 -1.03 -0.01 0.00 0.00 0.00 0.00 61.98 61.04 1ogf s VAL 25 Cb -0.02 -1.97 0.02 0.00 0.00 0.00 0.00 36.38 34.41 1ogf s VAL 25 CO 0.01 0.52 -0.11 -0.63 0.00 0.00 0.00 175.10 174.88 1ogf s ILE 26 N -0.73 2.63 0.21 2.22 1.01 -0.56 0.12 121.20 126.10 1ogf s ILE 26 Ca 0.12 -0.90 0.10 0.00 0.00 0.00 0.00 60.65 59.96 1ogf s ILE 26 Cb -0.10 -2.23 -0.05 0.00 0.01 0.00 0.00 42.46 40.09 1ogf s ILE 26 CO 0.01 0.37 -0.19 0.00 0.00 0.00 0.00 174.94 175.14 1ogf s ALA 27 N 1.33 2.28 0.98 9.38 0.00 0.14 -1.52 121.76 134.36 1ogf s ALA 27 Ca 0.03 -1.65 -0.16 0.00 0.00 0.00 0.00 51.96 50.18 1ogf s ALA 27 Cb -0.15 -0.21 0.20 0.00 0.00 0.00 0.00 23.12 22.96 1ogf s ALA 27 CO -0.08 0.24 1.27 0.16 0.00 0.00 0.00 175.76 177.36 1ogf s ASP 28 N -3.02 2.99 0.00 0.00 3.84 -0.78 -1.01 116.67 118.69 1ogf s ASP 28 Ca 0.22 0.39 0.13 0.00 -0.00 0.00 0.00 52.55 53.29 1ogf s ASP 28 Cb -0.05 -0.53 0.62 0.00 -1.38 0.00 0.00 42.92 41.58 1ogf s ASP 28 CO 0.09 -2.82 1.38 0.00 -0.00 0.00 0.00 175.17 173.82 1ogf n ALA 29 N -3.85 1.69 0.61 2.11 0.00 -0.74 -3.33 120.51 117.00 1ogf n ALA 29 Ca 0.14 -0.05 0.06 0.00 0.00 0.00 0.00 53.44 53.59 1ogf n ALA 29 Cb 0.60 -1.21 -0.06 0.00 0.00 0.00 0.00 19.45 18.77 1ogf n ALA 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ogf n GLY 30 N -0.15 -0.18 3.69 0.00 0.00 -1.26 -4.99 105.19 102.29 1ogf n GLY 30 Ca 0.05 -0.37 -0.42 0.00 0.00 0.00 0.00 46.02 45.28 1ogf n GLY 30 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ogf s LEU 31 N -2.44 4.37 0.35 0.99 2.96 -1.21 -4.96 118.68 118.74 1ogf s LEU 31 Ca 0.06 2.49 -0.27 0.00 -0.22 0.00 0.00 54.13 56.19 1ogf s LEU 31 Cb 0.10 -3.56 -0.09 0.00 0.50 0.00 0.00 46.19 43.14 1ogf s LEU 31 CO 0.49 -0.90 1.17 -2.16 -1.32 0.00 0.00 176.35 173.63 1ogf s PRO 32 N 2.84 4.28 -0.26 0.98 0.04 -1.26 -4.99 135.00 136.63 1ogf s PRO 32 Ca 0.75 1.89 -0.09 0.00 0.04 0.00 0.00 61.00 63.59 1ogf s PRO 32 Cb -0.40 -2.89 -0.04 0.00 0.04 0.00 0.00 34.50 31.21 1ogf s PRO 32 CO 0.33 -0.14 0.14 0.08 0.04 0.00 0.00 177.00 177.44 1ogf s VAL 33 N -1.30 4.93 0.56 -0.36 1.01 -1.26 -5.07 120.40 118.91 1ogf s VAL 33 Ca 0.52 0.04 -0.20 0.00 0.00 0.00 0.00 61.98 62.33 1ogf s VAL 33 Cb -0.33 -3.33 -0.05 0.00 0.00 0.00 0.00 36.38 32.68 1ogf s VAL 33 CO 0.42 0.30 1.13 -2.65 0.00 0.00 0.00 175.10 174.30 1ogf n PRO 34 N 4.87 1.25 -1.79 2.72 -0.02 -1.26 -4.89 135.00 135.87 1ogf n PRO 34 Ca -0.15 0.47 -0.42 0.00 -2.02 0.00 0.00 63.50 61.38 1ogf n PRO 34 Cb 0.52 -2.31 -0.02 0.00 -0.02 0.00 0.00 33.50 31.66 1ogf n PRO 34 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1ogf s ASP 35 N -1.06 6.42 0.00 2.55 -0.00 -1.26 -2.13 116.67 121.18 1ogf s ASP 35 Ca 0.73 2.86 0.00 0.00 -0.00 0.00 0.00 52.55 56.14 1ogf s ASP 35 Cb -0.44 -2.61 0.00 0.00 -0.00 0.00 0.00 42.92 39.87 1ogf s ASP 35 CO 0.49 -0.91 0.00 0.61 -0.00 0.00 0.00 175.17 175.35 1ogf n GLY 36 N 3.10 3.07 3.65 0.21 0.00 -1.26 -5.04 105.19 108.92 1ogf n GLY 36 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 1ogf n GLY 36 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ogf s VAL 37 N -2.72 5.01 0.28 1.61 1.01 -0.91 -5.02 120.40 119.66 1ogf s VAL 37 Ca 0.00 1.17 -0.30 0.00 0.00 0.00 0.00 61.98 62.84 1ogf s VAL 37 Cb 0.00 -3.94 -0.13 0.00 0.00 0.00 0.00 36.38 32.31 1ogf s VAL 37 CO 0.00 0.08 1.45 -0.11 0.00 0.00 0.00 175.10 176.52 1ogf n LEU 38 N 5.27 3.65 -4.23 3.92 7.94 -1.26 -4.79 117.00 127.50 1ogf n LEU 38 Ca -0.01 1.16 -0.35 0.00 -1.11 0.00 0.00 56.01 55.70 1ogf n LEU 38 Cb 0.49 -1.50 -0.14 0.00 0.53 0.00 0.00 43.42 42.80 1ogf n LEU 38 CO 0.44 -0.26 -0.41 -0.75 -1.11 0.00 0.00 177.39 175.30 1ogf s LYS 39 N -0.77 3.01 -0.39 1.96 2.20 -1.26 -0.65 119.74 123.84 1ogf s LYS 39 Ca 0.64 -0.86 -0.06 0.00 -0.36 0.00 0.00 55.97 55.33 1ogf s LYS 39 Cb -0.58 -2.96 0.08 0.00 -1.51 0.00 0.00 37.83 32.86 1ogf s LYS 39 CO 0.52 -0.33 0.19 0.42 -0.36 0.00 0.00 175.35 175.80 1ogf s ILE 40 N 1.37 3.77 -0.38 5.43 1.01 -0.35 -4.97 121.20 127.08 1ogf s ILE 40 Ca 0.02 -1.54 -0.18 0.00 0.00 0.00 0.00 60.65 58.95 1ogf s ILE 40 Cb -0.16 -3.34 0.00 0.00 0.01 0.00 0.00 42.46 38.98 1ogf s ILE 40 CO -0.05 -0.47 0.50 -0.62 0.00 0.00 0.00 174.94 174.31 1ogf s ASP 41 N 1.86 6.28 0.00 3.58 3.68 -1.26 -1.31 116.67 129.50 1ogf s ASP 41 Ca 0.03 -0.22 0.22 0.00 2.13 0.00 0.00 52.55 54.71 1ogf s ASP 41 Cb -0.22 -2.26 -0.01 0.00 -1.45 0.00 0.00 42.92 38.98 1ogf s ASP 41 CO 0.00 -0.53 1.07 0.18 0.13 0.00 0.00 175.17 176.02 1ogf n LEU 42 N 5.76 1.65 -4.65 -1.34 4.77 0.06 -4.95 117.00 118.30 1ogf n LEU 42 Ca -0.05 -0.64 -0.44 0.00 -0.03 0.00 0.00 56.01 54.85 1ogf n LEU 42 Cb 0.48 -0.01 -0.02 0.00 -2.33 0.00 0.00 43.42 41.54 1ogf n LEU 42 CO 0.46 0.33 0.82 -1.54 -1.33 0.00 0.00 177.39 176.12 1ogf n SER 43 N -0.51 2.24 -0.04 -1.43 3.41 -1.15 -4.33 113.62 111.80 1ogf n SER 43 Ca 0.08 1.18 -0.08 0.00 -0.26 0.00 0.00 58.87 59.79 1ogf n SER 43 Cb 0.42 -1.40 -0.04 0.00 -0.26 0.00 0.00 64.21 62.94 1ogf n SER 43 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1ogf n LEU 44 N 1.31 1.86 -3.65 1.04 7.94 0.14 -4.91 117.00 120.72 1ogf n LEU 44 Ca 0.08 0.03 -0.04 0.00 -1.11 0.00 0.00 56.01 54.97 1ogf n LEU 44 Cb 0.33 -0.28 -0.01 0.00 0.53 0.00 0.00 43.42 43.99 1ogf n LEU 44 CO 0.62 0.42 0.78 -1.59 -1.11 0.00 0.00 177.39 176.51 1ogf s LYS 45 N -2.16 0.91 -0.44 1.96 -2.85 -1.04 -5.03 119.74 111.09 1ogf s LYS 45 Ca -0.12 -0.45 -0.45 0.00 -1.00 0.00 0.00 55.97 53.95 1ogf s LYS 45 Cb 0.04 0.34 -0.19 0.00 -2.06 0.00 0.00 37.83 35.96 1ogf s LYS 45 CO 0.18 -0.41 1.66 -2.30 0.10 0.00 0.00 175.35 174.58 1ogf n PRO 46 N -0.38 0.33 0.00 1.78 -0.02 -1.26 0.11 135.00 135.55 1ogf n PRO 46 Ca -0.07 0.12 0.00 0.00 -2.02 0.00 0.00 63.50 61.53 1ogf n PRO 46 Cb 0.61 -1.68 0.00 0.00 -0.02 0.00 0.00 33.50 32.42 1ogf n PRO 46 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ogf n GLY 47 N 4.19 1.67 2.97 -1.23 0.00 0.37 -4.96 105.19 108.20 1ogf n GLY 47 Ca 0.31 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.07 1ogf n GLY 47 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ogf s LEU 48 N 0.00 1.44 0.62 0.99 1.43 0.12 -2.80 118.68 120.47 1ogf s LEU 48 Ca 0.00 -0.30 -0.13 0.00 -1.03 0.00 0.00 54.13 52.67 1ogf s LEU 48 Cb 0.00 -0.82 -0.03 0.00 0.03 0.00 0.00 46.19 45.37 1ogf s LEU 48 CO 0.00 -0.04 1.04 -2.16 0.23 0.00 0.00 176.35 175.42 1ogf s PRO 49 N 1.13 3.35 0.43 1.29 0.04 -1.26 0.23 135.00 140.21 1ogf s PRO 49 Ca -0.06 0.99 -0.20 0.00 0.04 0.00 0.00 61.00 61.77 1ogf s PRO 49 Cb -0.14 -2.05 -0.11 0.00 0.04 0.00 0.00 34.50 32.25 1ogf s PRO 49 CO -0.02 -0.77 0.94 0.00 0.04 0.00 0.00 177.00 177.19 1ogf s ALA 50 N -2.83 3.06 0.24 8.56 0.00 -1.12 -0.67 121.76 128.99 1ogf s ALA 50 Ca 0.59 0.36 -0.06 0.00 0.00 0.00 0.00 51.96 52.85 1ogf s ALA 50 Cb -0.13 -3.12 0.42 0.00 0.00 0.00 0.00 23.12 20.29 1ogf s ALA 50 CO 0.45 0.11 1.69 0.35 0.00 0.00 0.00 175.76 178.37 1ogf h PHE 51 N 1.84 0.28 0.33 0.00 3.57 -1.93 -1.78 116.94 119.25 1ogf h PHE 51 Ca -0.49 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.04 1ogf h PHE 51 Cb 1.18 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.91 1ogf h PHE 51 CO 0.62 -0.06 -0.16 1.96 -2.23 0.00 0.00 178.31 178.44 1ogf h GLN 52 N 0.28 -0.43 -0.78 1.11 4.20 -1.98 -1.06 115.11 116.46 1ogf h GLN 52 Ca 0.39 0.03 0.12 0.00 0.06 0.00 0.00 58.65 59.25 1ogf h GLN 52 Cb 0.64 0.10 -0.08 0.00 0.30 0.00 0.00 27.48 28.44 1ogf h GLN 52 CO -0.48 -0.19 0.39 -0.44 -0.67 0.00 0.00 178.83 177.44 1ogf h ASP 53 N -0.60 0.49 -0.36 1.46 3.32 -1.86 0.51 116.42 119.38 1ogf h ASP 53 Ca -0.05 0.08 -0.06 0.00 0.02 0.00 0.00 57.03 57.02 1ogf h ASP 53 Cb 0.43 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 1ogf h ASP 53 CO 0.07 0.24 -0.02 0.74 -1.72 0.00 0.00 179.24 178.56 1ogf h THR 54 N 0.61 1.26 -0.39 0.35 2.02 -1.27 -2.50 112.91 112.99 1ogf h THR 54 Ca 0.40 -1.02 -0.04 0.00 0.77 0.00 0.00 66.41 66.53 1ogf h THR 54 Cb 0.50 1.22 -0.02 0.00 -1.74 0.00 0.00 68.15 68.10 1ogf h THR 54 CO -0.32 0.34 0.08 0.00 0.37 0.00 0.00 175.52 175.99 1ogf h ALA 55 N 0.85 1.40 -0.20 6.16 0.00 -0.24 -1.80 119.26 125.43 1ogf h ALA 55 Ca 0.10 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1ogf h ALA 55 Cb 0.49 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1ogf h ALA 55 CO 0.02 0.43 0.05 0.00 0.00 0.00 0.00 179.25 179.75 1ogf h ALA 56 N 1.52 0.27 -0.26 0.00 0.00 -0.77 -1.34 119.26 118.67 1ogf h ALA 56 Ca 0.13 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1ogf h ALA 56 Cb 0.25 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1ogf h ALA 56 CO -0.00 -0.09 0.17 0.28 0.00 0.00 0.00 179.25 179.61 1ogf h VAL 57 N 0.14 1.09 -0.35 0.00 2.07 -1.09 -1.68 116.25 116.41 1ogf h VAL 57 Ca 0.06 -0.19 -0.05 0.00 0.82 0.00 0.00 66.70 67.34 1ogf h VAL 57 Cb 0.27 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 30.77 1ogf h VAL 57 CO 0.00 0.08 -0.00 -0.07 0.02 0.00 0.00 177.57 177.60 1ogf h LEU 58 N 0.34 0.52 -1.05 2.57 -0.00 -1.29 -2.05 115.31 114.35 1ogf h LEU 58 Ca 0.10 -0.10 -0.08 0.00 -0.00 0.00 0.00 57.88 57.80 1ogf h LEU 58 Cb -0.00 -0.14 -0.02 0.00 -0.00 0.00 0.00 40.66 40.50 1ogf h LEU 58 CO -0.02 0.59 -0.16 0.00 -0.00 0.00 0.00 178.44 178.85 1ogf h ALA 59 N 1.47 1.21 0.00 1.53 0.00 -0.85 0.15 119.26 122.76 1ogf h ALA 59 Ca 0.11 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1ogf h ALA 59 Cb 0.34 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1ogf h ALA 59 CO 0.01 0.51 -0.06 1.49 0.00 0.00 0.00 179.25 181.20 1ogf h GLU 60 N 0.45 0.00 -0.01 0.00 4.57 -0.68 -3.33 114.58 115.59 1ogf h GLU 60 Ca 0.08 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.26 1ogf h GLU 60 Cb 0.54 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.13 1ogf h GLU 60 CO 0.03 0.06 -0.33 0.39 -1.18 0.00 0.00 179.01 177.99 1ogf n GLU 61 N -3.12 2.53 -4.50 1.92 -0.58 -0.83 -4.99 120.64 111.07 1ogf n GLU 61 Ca 0.03 -0.42 -0.22 0.00 -0.42 0.00 0.00 57.16 56.14 1ogf n GLU 61 Cb 0.51 -1.08 -0.16 0.00 -0.57 0.00 0.00 31.44 30.15 1ogf n GLU 61 CO 0.00 0.00 0.00 1.41 -0.48 0.00 0.00 177.13 178.06 1ogf s MET 62 N -1.65 1.16 -0.50 3.49 1.75 0.48 -4.93 119.30 119.10 1ogf s MET 62 Ca 0.07 -0.38 -0.28 0.00 -1.25 0.00 0.00 55.69 53.86 1ogf s MET 62 Cb 0.09 -1.06 0.03 0.00 2.84 0.00 0.00 34.83 36.73 1ogf s MET 62 CO 0.34 0.14 1.12 0.00 -0.65 0.00 0.00 175.02 175.96 1ogf s ALA 63 N 0.17 3.13 -0.17 4.11 0.00 -1.26 -4.67 121.76 123.07 1ogf s ALA 63 Ca -0.03 -0.60 -0.06 0.00 0.00 0.00 0.00 51.96 51.26 1ogf s ALA 63 Cb -0.09 -3.88 -0.04 0.00 0.00 0.00 0.00 23.12 19.11 1ogf s ALA 63 CO 0.01 -2.31 0.03 0.08 0.00 0.00 0.00 175.76 173.56 1ogf s VAL 64 N 4.45 4.45 -0.63 0.00 1.01 -1.26 0.14 120.40 128.55 1ogf s VAL 64 Ca 0.45 -0.16 0.13 0.00 0.00 0.00 0.00 61.98 62.40 1ogf s VAL 64 Cb -0.08 -2.99 -0.13 0.00 0.00 0.00 0.00 36.38 33.18 1ogf s VAL 64 CO 0.30 0.47 0.55 -1.84 0.00 0.00 0.00 175.10 174.58 1ogf n GLU 65 N 3.57 2.75 -3.61 2.72 0.28 -0.43 -4.73 120.64 121.17 1ogf n GLU 65 Ca -0.17 -0.04 -0.12 0.00 -0.16 0.00 0.00 57.16 56.67 1ogf n GLU 65 Cb 0.52 -1.11 -0.07 0.00 1.43 0.00 0.00 31.44 32.22 1ogf n GLU 65 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 177.13 177.18 1ogf s LYS 66 N -2.18 0.73 -0.04 3.44 2.20 -1.20 -3.15 119.74 119.53 1ogf s LYS 66 Ca 0.05 0.69 0.05 0.00 -0.36 0.00 0.00 55.97 56.41 1ogf s LYS 66 Cb 0.10 0.35 -0.01 0.00 -1.51 0.00 0.00 37.83 36.76 1ogf s LYS 66 CO 0.51 -0.12 -0.20 0.08 -0.36 0.00 0.00 175.35 175.27 1ogf s VAL 67 N 0.01 1.62 -0.03 4.02 1.01 0.12 -0.64 120.40 126.50 1ogf s VAL 67 Ca -0.00 -0.83 0.06 0.00 0.00 0.00 0.00 61.98 61.21 1ogf s VAL 67 Cb -0.04 -1.38 -0.01 0.00 0.00 0.00 0.00 36.38 34.95 1ogf s VAL 67 CO -0.00 0.46 -0.21 -0.63 0.00 0.00 0.00 175.10 174.72 1ogf s ILE 68 N -0.09 1.68 0.15 2.22 1.01 -0.58 -1.30 121.20 124.30 1ogf s ILE 68 Ca -0.02 -0.89 -0.05 0.00 0.00 0.00 0.00 60.65 59.68 1ogf s ILE 68 Cb -0.12 -1.41 -0.02 0.00 0.01 0.00 0.00 42.46 40.92 1ogf s ILE 68 CO 0.02 0.48 0.17 0.00 0.00 0.00 0.00 174.94 175.61 1ogf s ALA 69 N -0.36 0.44 -0.05 9.38 0.00 -0.38 -0.80 121.76 129.99 1ogf s ALA 69 Ca 0.04 -1.19 -0.24 0.00 0.00 0.00 0.00 51.96 50.58 1ogf s ALA 69 Cb -0.10 0.87 -0.04 0.00 0.00 0.00 0.00 23.12 23.86 1ogf s ALA 69 CO 0.00 -0.57 0.71 0.00 0.00 0.00 0.00 175.76 175.91 1ogf s ALA 70 N -4.01 3.34 0.54 0.00 0.00 -1.26 -1.03 121.76 119.34 1ogf s ALA 70 Ca 0.21 0.16 0.31 0.00 0.00 0.00 0.00 51.96 52.64 1ogf s ALA 70 Cb 0.05 -2.96 1.47 0.00 0.00 0.00 0.00 23.12 21.68 1ogf s ALA 70 CO 0.01 -0.08 1.90 0.00 0.00 0.00 0.00 175.76 177.60 1ogf h ALA 71 N 6.60 2.76 -0.11 0.00 0.00 -0.21 -0.12 119.26 128.18 1ogf h ALA 71 Ca -0.41 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.50 1ogf h ALA 71 Cb 1.20 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 1ogf h ALA 71 CO 0.75 -1.02 0.17 0.93 0.00 0.00 0.00 179.25 180.07 1ogf h GLU 72 N 0.00 0.00 0.00 0.00 3.07 -1.92 -1.41 114.58 114.32 1ogf h GLU 72 Ca 0.39 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 59.22 1ogf h GLU 72 Cb 1.59 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.49 1ogf h GLU 72 CO -0.00 0.00 -0.16 0.97 -1.40 0.00 0.00 179.01 178.42 1ogf h ILE 73 N 0.00 0.90 -0.11 3.13 2.10 -1.26 -2.13 117.51 120.14 1ogf h ILE 73 Ca 0.05 -0.59 -0.12 0.00 1.08 0.00 0.00 64.86 65.29 1ogf h ILE 73 Cb 0.39 1.34 -0.01 0.00 -1.09 0.00 0.00 36.82 37.44 1ogf h ILE 73 CO -0.00 0.16 -0.45 0.11 -1.08 0.00 0.00 178.15 176.89 1ogf h LYS 74 N 0.00 0.26 0.12 2.19 1.57 -1.45 -1.65 116.57 117.61 1ogf h LYS 74 Ca -0.00 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.64 1ogf h LYS 74 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.64 1ogf h LYS 74 CO 0.02 0.66 -0.06 0.00 -0.57 0.00 0.00 179.45 179.50 1ogf h ALA 75 N 1.33 -0.16 0.00 3.86 0.00 -1.51 -3.38 119.26 119.39 1ogf h ALA 75 Ca 0.02 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1ogf h ALA 75 Cb 0.87 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1ogf h ALA 75 CO 0.07 -0.18 -1.25 0.43 0.00 0.00 0.00 179.25 178.32 1ogf n SER 76 N -4.85 0.54 -3.25 0.00 7.64 -1.13 -4.70 113.62 107.86 1ogf n SER 76 Ca -0.05 -0.03 -0.25 0.00 1.01 0.00 0.00 58.87 59.55 1ogf n SER 76 Cb 0.21 0.99 -0.08 0.00 -1.01 0.00 0.00 64.21 64.33 1ogf n SER 76 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1ogf n ASN 77 N -2.22 0.63 0.21 6.43 4.05 -0.62 -4.87 115.26 118.87 1ogf n ASN 77 Ca 0.00 -2.77 0.06 0.00 0.45 0.00 0.00 54.58 52.32 1ogf n ASN 77 Cb 0.50 -0.64 0.48 0.00 1.23 0.00 0.00 39.78 41.35 1ogf n ASN 77 CO 0.00 0.00 0.00 -0.61 -3.05 0.00 0.00 177.26 173.60 1ogf h GLN 78 N 4.21 0.00 0.16 1.20 5.75 -1.74 -2.71 115.11 121.99 1ogf h GLN 78 Ca 0.11 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.61 1ogf h GLN 78 Cb 0.85 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.39 1ogf h GLN 78 CO 0.51 0.26 -0.20 0.93 -2.65 0.00 0.00 178.83 177.68 1ogf h GLU 79 N 0.00 -0.35 0.00 1.69 4.39 -1.92 -1.18 114.58 117.21 1ogf h GLU 79 Ca -0.00 0.02 -0.05 0.00 0.34 0.00 0.00 59.36 59.67 1ogf h GLU 79 Cb 0.50 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.22 1ogf h GLU 79 CO 0.03 -0.24 -0.25 -0.91 -1.16 0.00 0.00 179.01 176.49 1ogf h ASN 80 N -0.37 0.00 -0.42 1.42 2.35 -1.93 -1.98 115.58 114.65 1ogf h ASN 80 Ca -0.02 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.68 1ogf h ASN 80 Cb 0.33 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.67 1ogf h ASN 80 CO -0.04 0.25 0.11 0.00 -1.65 0.00 0.00 177.43 176.09 1ogf h ALA 81 N 1.75 1.27 0.00 -0.83 0.00 -1.26 -0.83 119.26 119.36 1ogf h ALA 81 Ca -0.00 -0.20 -0.21 0.00 0.00 0.00 0.00 54.91 54.50 1ogf h ALA 81 Cb 0.46 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 1ogf h ALA 81 CO 0.03 0.51 -1.16 0.87 0.00 0.00 0.00 179.25 179.50 1ogf h LYS 82 N 0.72 0.00 0.03 0.00 1.57 -0.80 -2.97 116.57 115.11 1ogf h LYS 82 Ca 0.16 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.94 1ogf h LYS 82 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.60 1ogf h LYS 82 CO -0.00 0.73 -0.01 0.35 -0.57 0.00 0.00 179.45 179.95 1ogf h PHE 83 N 0.00 -0.03 -0.97 -1.35 3.57 -1.04 -1.14 116.94 115.98 1ogf h PHE 83 Ca -0.10 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.42 1ogf h PHE 83 Cb 1.77 0.01 -0.05 0.00 2.79 0.00 0.00 35.95 40.47 1ogf h PHE 83 CO 0.00 0.15 0.64 1.25 -2.23 0.00 0.00 178.31 178.12 1ogf h LEU 84 N -0.21 1.09 -0.54 0.59 5.85 -1.25 0.16 115.31 121.00 1ogf h LEU 84 Ca -0.00 -0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.63 1ogf h LEU 84 Cb 0.20 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 1ogf h LEU 84 CO 0.01 0.78 0.09 -0.33 -0.34 0.00 0.00 178.44 178.64 1ogf h GLU 85 N 1.28 0.89 -0.09 1.25 4.39 -1.34 -1.83 114.58 119.13 1ogf h GLU 85 Ca 0.37 -0.24 -0.10 0.00 0.34 0.00 0.00 59.36 59.73 1ogf h GLU 85 Cb -0.09 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.46 1ogf h GLU 85 CO -0.10 0.86 -0.34 -0.91 -1.16 0.00 0.00 179.01 177.37 1ogf h ASN 86 N 0.77 0.45 -0.55 1.42 -0.26 -0.78 -2.77 115.58 113.86 1ogf h ASN 86 Ca 0.16 -0.63 0.06 0.00 -0.56 0.00 0.00 56.30 55.34 1ogf h ASN 86 Cb 0.40 -0.13 -0.05 0.00 -1.06 0.00 0.00 38.32 37.47 1ogf h ASN 86 CO 0.01 1.00 0.25 0.25 -1.06 0.00 0.00 177.43 177.88 1ogf h LEU 87 N -0.07 0.33 -4.61 1.61 5.85 -0.68 -2.59 115.31 115.14 1ogf h LEU 87 Ca -0.02 0.05 -0.70 0.00 0.84 0.00 0.00 57.88 58.05 1ogf h LEU 87 Cb 0.97 -0.01 -0.32 0.00 0.37 0.00 0.00 40.66 41.68 1ogf h LEU 87 CO 0.07 0.22 0.54 0.49 -0.34 0.00 0.00 178.44 179.42 1ogf n PHE 88 N -4.92 3.10 -0.35 1.25 3.01 -0.69 -4.80 117.46 114.06 1ogf n PHE 88 Ca 0.06 -2.61 0.15 0.00 1.01 0.00 0.00 57.45 56.06 1ogf n PHE 88 Cb 0.19 -0.97 0.35 0.00 -0.01 0.00 0.00 39.48 39.04 1ogf n PHE 88 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1ogf h SER 89 N 2.66 0.74 0.89 4.37 4.64 -1.16 -2.40 113.55 123.28 1ogf h SER 89 Ca 0.51 0.11 -0.12 0.00 -0.47 0.00 0.00 61.79 61.82 1ogf h SER 89 Cb 0.47 -0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 62.52 1ogf h SER 89 CO 1.31 0.21 -1.19 -0.33 -0.87 0.00 0.00 176.83 175.96 1ogf h GLU 90 N 0.69 0.00 -7.47 4.77 5.08 -1.88 -3.48 114.58 112.29 1ogf h GLU 90 Ca 0.60 0.00 -0.45 0.00 -1.00 0.00 0.00 59.36 58.52 1ogf h GLU 90 Cb 1.04 0.00 0.15 0.00 0.50 0.00 0.00 28.75 30.44 1ogf h GLU 90 CO -0.41 0.26 0.25 -0.65 -1.00 0.00 0.00 179.01 177.45 1ogf s GLN 91 N -3.02 0.40 -0.29 2.33 1.11 -0.91 -5.01 119.66 114.28 1ogf s GLN 91 Ca -0.01 0.19 -0.21 0.00 0.01 0.00 0.00 55.36 55.34 1ogf s GLN 91 Cb 0.09 -1.76 -0.01 0.00 -1.01 0.00 0.00 33.01 30.31 1ogf s GLN 91 CO 0.80 -2.68 0.66 -2.00 0.01 0.00 0.00 175.29 172.08 1ogf s GLU 92 N -5.29 3.98 -0.32 2.91 2.12 -1.19 -4.94 118.70 115.97 1ogf s GLU 92 Ca 0.67 0.44 -0.06 0.00 0.36 0.00 0.00 54.97 56.38 1ogf s GLU 92 Cb -0.13 -3.70 0.03 0.00 0.26 0.00 0.00 34.13 30.58 1ogf s GLU 92 CO 0.55 -0.55 0.08 0.42 -0.54 0.00 0.00 175.26 175.22 1ogf s ILE 93 N 2.65 3.72 -0.04 -3.70 1.01 -1.26 0.11 121.20 123.68 1ogf s ILE 93 Ca 0.27 -1.01 0.03 0.00 0.00 0.00 0.00 60.65 59.94 1ogf s ILE 93 Cb -0.15 -3.04 -0.03 0.00 0.01 0.00 0.00 42.46 39.26 1ogf s ILE 93 CO 0.11 -0.07 -0.12 -0.70 0.00 0.00 0.00 174.94 174.16 1ogf s GLU 94 N 1.42 2.55 -0.12 2.79 2.12 -0.42 -5.01 118.70 122.03 1ogf s GLU 94 Ca -0.01 -0.67 -0.01 0.00 0.36 0.00 0.00 54.97 54.65 1ogf s GLU 94 Cb -0.19 -2.44 -0.02 0.00 0.26 0.00 0.00 34.13 31.74 1ogf s GLU 94 CO 0.02 0.63 -0.10 0.71 -0.54 0.00 0.00 175.26 175.98 1ogf s TYR 95 N -0.79 2.88 0.36 5.30 1.51 -1.26 -1.25 117.35 124.09 1ogf s TYR 95 Ca 0.12 -0.40 0.05 0.00 -1.01 0.00 0.00 57.07 55.83 1ogf s TYR 95 Cb -0.11 -1.84 -0.07 0.00 -0.11 0.00 0.00 41.96 39.83 1ogf s TYR 95 CO 0.02 -0.05 0.04 -0.51 -1.11 0.00 0.00 175.55 173.94 1ogf s LEU 96 N 0.09 2.42 0.58 -1.29 1.43 -0.20 -4.78 118.68 116.93 1ogf s LEU 96 Ca -0.04 -1.38 -0.18 0.00 -1.03 0.00 0.00 54.13 51.51 1ogf s LEU 96 Cb -0.14 -0.56 -0.04 0.00 0.03 0.00 0.00 46.19 45.48 1ogf s LEU 96 CO 0.04 -0.56 1.11 -0.94 0.23 0.00 0.00 176.35 176.23 1ogf s SER 97 N -3.57 5.57 0.28 2.29 1.04 -1.26 0.54 113.70 118.60 1ogf s SER 97 Ca 0.36 2.06 0.02 0.00 0.48 0.00 0.00 55.95 58.88 1ogf s SER 97 Cb 0.09 -2.56 0.60 0.00 0.10 0.00 0.00 66.02 64.25 1ogf s SER 97 CO 0.16 -1.32 1.81 -0.74 0.98 0.00 0.00 173.24 174.13 1ogf h HIS 98 N 0.76 1.07 0.35 5.02 2.76 -1.92 0.10 115.15 123.30 1ogf h HIS 98 Ca -0.49 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 57.71 1ogf h HIS 98 Cb 1.25 -0.33 -0.02 0.00 1.55 0.00 0.00 27.41 29.86 1ogf h HIS 98 CO 0.53 0.35 -0.33 0.93 -1.30 0.00 0.00 177.93 178.11 1ogf h GLU 99 N 0.87 -0.68 -0.80 5.26 4.39 -2.00 0.08 114.58 121.71 1ogf h GLU 99 Ca 0.52 0.05 0.06 0.00 0.34 0.00 0.00 59.36 60.32 1ogf h GLU 99 Cb 0.64 0.15 -0.05 0.00 -0.10 0.00 0.00 28.75 29.39 1ogf h GLU 99 CO -0.31 -0.45 0.52 0.93 -1.16 0.00 0.00 179.01 178.54 1ogf h GLU 100 N -0.70 0.86 -0.40 2.33 4.39 -1.69 -1.60 114.58 117.77 1ogf h GLU 100 Ca -0.02 -0.05 0.01 0.00 0.34 0.00 0.00 59.36 59.63 1ogf h GLU 100 Cb 0.63 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 29.07 1ogf h GLU 100 CO -0.05 0.57 0.26 0.35 -1.16 0.00 0.00 179.01 178.97 1ogf h PHE 101 N 0.89 0.48 -0.46 4.33 3.57 -0.17 -1.69 116.94 123.90 1ogf h PHE 101 Ca 0.34 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.80 1ogf h PHE 101 Cb 0.19 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 38.75 1ogf h PHE 101 CO -0.00 0.30 0.06 0.87 -2.23 0.00 0.00 178.31 177.31 1ogf h LYS 102 N 0.52 0.71 -0.33 1.11 1.57 -0.08 -2.33 116.57 117.73 1ogf h LYS 102 Ca 0.15 -0.15 0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1ogf h LYS 102 Cb -0.04 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.15 1ogf h LYS 102 CO -0.05 0.68 0.21 -0.07 -0.57 0.00 0.00 179.45 179.65 1ogf h LEU 103 N 0.68 0.34 -2.01 2.94 4.07 -0.81 -2.09 115.31 118.43 1ogf h LEU 103 Ca 0.15 -0.00 -0.01 0.00 0.08 0.00 0.00 57.88 58.09 1ogf h LEU 103 Cb 0.33 -0.08 -0.00 0.00 1.08 0.00 0.00 40.66 41.99 1ogf h LEU 103 CO 0.01 0.25 -0.05 0.25 -1.08 0.00 0.00 178.44 177.82 1ogf h LEU 104 N 0.42 0.00 -0.11 1.67 6.46 -0.82 -1.84 115.31 121.09 1ogf h LEU 104 Ca 0.13 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.89 1ogf h LEU 104 Cb -0.02 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 39.91 1ogf h LEU 104 CO -0.05 0.05 0.00 0.35 -0.62 0.00 0.00 178.44 178.17 1ogf n THR 105 N -4.29 1.31 0.22 1.05 -2.24 -0.79 -1.73 114.28 107.80 1ogf n THR 105 Ca -0.03 0.35 0.07 0.00 -2.27 0.00 0.00 64.05 62.17 1ogf n THR 105 Cb 0.13 -1.20 0.49 0.00 -2.10 0.00 0.00 70.33 67.65 1ogf n THR 105 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1ogf h LYS 106 N 0.00 0.00 -0.06 -0.78 1.57 -1.41 -2.55 116.57 113.33 1ogf h LYS 106 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1ogf h LYS 106 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.48 1ogf h LYS 106 CO 0.00 0.27 0.00 -0.25 -0.57 0.00 0.00 179.45 178.90 1ogf n ASP 107 N -3.77 1.92 -4.78 0.86 8.00 -0.71 -4.93 116.55 113.14 1ogf n ASP 107 Ca -0.01 -1.66 -0.34 0.00 0.71 0.00 0.00 54.79 53.49 1ogf n ASP 107 Cb 0.37 -0.03 0.02 0.00 -0.02 0.00 0.00 41.12 41.46 1ogf n ASP 107 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ogf s ALA 108 N -1.94 2.61 -0.26 2.24 0.00 -0.96 -4.60 121.76 118.85 1ogf s ALA 108 Ca 0.35 0.67 0.19 0.00 0.00 0.00 0.00 51.96 53.17 1ogf s ALA 108 Cb 0.20 -3.33 0.14 0.00 0.00 0.00 0.00 23.12 20.13 1ogf s ALA 108 CO 0.31 -0.96 1.40 0.87 0.00 0.00 0.00 175.76 177.38 1ogf h LYS 109 N 0.67 0.00 -1.88 0.00 1.79 -0.81 -3.46 116.57 112.88 1ogf h LYS 109 Ca -0.48 0.00 0.15 0.00 -2.18 0.00 0.00 60.65 58.14 1ogf h LYS 109 Cb 1.25 0.00 -0.18 0.00 -1.58 0.00 0.00 32.23 31.72 1ogf h LYS 109 CO 0.56 0.25 0.61 0.00 -1.08 0.00 0.00 179.45 179.79 1ogf s ALA 110 N -3.09 -1.93 -0.18 3.86 0.00 -1.26 -4.10 121.76 115.07 1ogf s ALA 110 Ca 0.04 1.31 0.01 0.00 0.00 0.00 0.00 51.96 53.32 1ogf s ALA 110 Cb 0.07 0.02 0.02 0.00 0.00 0.00 0.00 23.12 23.22 1ogf s ALA 110 CO 0.73 -0.58 -0.20 0.08 0.00 0.00 0.00 175.76 175.79 1ogf s VAL 111 N -2.52 2.03 -0.37 0.00 1.01 0.18 -1.10 120.40 119.62 1ogf s VAL 111 Ca 0.05 -0.92 -0.18 0.00 0.00 0.00 0.00 61.98 60.94 1ogf s VAL 111 Cb -0.01 -1.83 0.00 0.00 0.00 0.00 0.00 36.38 34.54 1ogf s VAL 111 CO -0.06 0.53 0.48 -0.63 0.00 0.00 0.00 175.10 175.42 1ogf s ILE 112 N 1.28 5.05 -0.22 2.22 1.01 0.33 -1.21 121.20 129.65 1ogf s ILE 112 Ca 0.04 0.12 -0.17 0.00 0.00 0.00 0.00 60.65 60.64 1ogf s ILE 112 Cb -0.13 -3.97 -0.03 0.00 0.01 0.00 0.00 42.46 38.34 1ogf s ILE 112 CO -0.12 -0.26 0.46 -0.60 0.00 0.00 0.00 174.94 174.41 1ogf s ARG 113 N 2.30 4.14 0.30 2.79 3.52 -0.43 0.28 118.95 131.85 1ogf s ARG 113 Ca 0.16 0.27 0.04 0.00 -0.13 0.00 0.00 55.73 56.08 1ogf s ARG 113 Cb -0.16 -3.58 0.04 0.00 -1.56 0.00 0.00 34.95 29.69 1ogf s ARG 113 CO 0.13 -0.17 0.37 0.25 -0.81 0.00 0.00 175.30 175.08 1ogf n THR 114 N 4.68 0.00 0.35 4.11 -2.24 -0.18 -0.76 114.28 120.24 1ogf n THR 114 Ca -0.06 -1.04 0.11 0.00 -2.27 0.00 0.00 64.05 60.79 1ogf n THR 114 Cb 0.51 -0.63 0.27 0.00 -2.10 0.00 0.00 70.33 68.37 1ogf n THR 114 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ogf n GLY 115 N 1.36 1.56 3.64 3.38 0.00 0.15 -3.56 105.19 111.72 1ogf n GLY 115 Ca 0.06 -0.66 -0.50 0.00 0.00 0.00 0.00 46.02 44.93 1ogf n GLY 115 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1ogf n GLU 116 N 1.22 1.79 -1.80 1.61 4.07 -1.21 0.14 120.64 126.46 1ogf n GLU 116 Ca 0.19 0.62 -0.34 0.00 -0.06 0.00 0.00 57.16 57.58 1ogf n GLU 116 Cb 0.52 -2.56 0.05 0.00 -0.06 0.00 0.00 31.44 29.39 1ogf n GLU 116 CO 0.00 0.00 0.00 1.19 -0.06 0.00 0.00 177.13 178.26 1ogf n PHE 117 N 7.39 3.10 -4.50 4.31 3.01 -1.26 -1.78 117.46 127.73 1ogf n PHE 117 Ca 0.27 -2.68 -0.22 0.00 1.01 0.00 0.00 57.45 55.84 1ogf n PHE 117 Cb 0.26 -1.01 -0.14 0.00 -0.01 0.00 0.00 39.48 38.58 1ogf n PHE 117 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 1ogf s THR 118 N -4.98 1.22 0.20 4.37 -4.23 -1.26 -5.03 115.64 105.93 1ogf s THR 118 Ca 0.56 -0.93 -0.32 0.00 -1.18 0.00 0.00 61.69 59.82 1ogf s THR 118 Cb 0.46 -1.07 -0.15 0.00 1.34 0.00 0.00 72.50 73.07 1ogf s THR 118 CO -0.17 0.13 1.15 -2.65 -0.54 0.00 0.00 174.62 172.54 1ogf n PRO 119 N 2.13 1.24 -3.28 3.99 -0.02 -1.26 -3.16 135.00 134.64 1ogf n PRO 119 Ca -0.17 0.44 -0.20 0.00 -2.02 0.00 0.00 63.50 61.55 1ogf n PRO 119 Cb 0.55 -1.92 -0.02 0.00 -0.02 0.00 0.00 33.50 32.09 1ogf n PRO 119 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1ogf n TYR 120 N 1.31 -1.69 -2.38 6.00 4.02 -1.26 -4.61 117.16 118.54 1ogf n TYR 120 Ca 0.14 0.36 -0.43 0.00 -0.01 0.00 0.00 57.90 57.96 1ogf n TYR 120 Cb 0.26 -2.30 0.00 0.00 -0.02 0.00 0.00 39.34 37.29 1ogf n TYR 120 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1ogf n ALA 121 N -3.25 4.83 -3.04 -0.72 0.00 -1.19 -4.58 120.51 112.55 1ogf n ALA 121 Ca -0.00 -4.15 -0.10 0.00 0.00 0.00 0.00 53.44 49.18 1ogf n ALA 121 Cb 0.52 -3.19 -0.11 0.00 0.00 0.00 0.00 19.45 16.67 1ogf n ALA 121 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1ogf s ASN 122 N 2.23 0.11 0.13 0.00 -0.87 -1.26 -1.86 114.94 113.41 1ogf s ASN 122 Ca 0.44 -0.30 -0.17 0.00 -1.57 0.00 0.00 52.86 51.25 1ogf s ASN 122 Cb 0.07 0.16 0.04 0.00 -0.02 0.00 0.00 41.25 41.50 1ogf s ASN 122 CO -0.01 -0.31 0.44 0.00 -2.57 0.00 0.00 177.10 174.65 1ogf s ILE 124 N -3.70 3.10 -0.24 0.00 1.01 0.02 -1.50 121.20 119.89 1ogf s ILE 124 Ca 0.02 -0.59 -0.14 0.00 0.00 0.00 0.00 60.65 59.94 1ogf s ILE 124 Cb 0.01 -2.39 -0.04 0.00 0.01 0.00 0.00 42.46 40.05 1ogf s ILE 124 CO -0.11 0.45 0.32 -0.76 0.00 0.00 0.00 174.94 174.84 1ogf s LEU 125 N 1.35 4.09 -0.25 2.97 1.43 -0.11 -1.52 118.68 126.64 1ogf s LEU 125 Ca 0.04 0.30 -0.09 0.00 -1.03 0.00 0.00 54.13 53.35 1ogf s LEU 125 Cb -0.14 -2.36 -0.04 0.00 0.03 0.00 0.00 46.19 43.67 1ogf s LEU 125 CO -0.04 -0.08 0.13 -1.58 0.23 0.00 0.00 176.35 175.01 1ogf s GLN 126 N 1.57 3.91 0.25 1.70 0.74 0.19 -1.61 119.66 126.41 1ogf s GLN 126 Ca 0.14 -0.35 -0.31 0.00 0.05 0.00 0.00 55.36 54.89 1ogf s GLN 126 Cb -0.15 -3.48 -0.12 0.00 1.10 0.00 0.00 33.01 30.36 1ogf s GLN 126 CO 0.08 -0.05 1.62 0.00 -0.55 0.00 0.00 175.29 176.38 1ogf n ALA 127 N 4.60 2.42 -1.67 1.58 0.00 0.28 -1.32 120.51 126.40 1ogf n ALA 127 Ca -0.15 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.68 1ogf n ALA 127 Cb 0.52 -2.46 0.00 0.00 0.00 0.00 0.00 19.45 17.51 1ogf n ALA 127 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ogf n GLY 128 N 2.79 1.26 2.90 0.00 0.00 0.37 -0.95 105.19 111.57 1ogf n GLY 128 Ca 0.12 -1.84 -0.12 0.00 0.00 0.00 0.00 46.02 44.18 1ogf n GLY 128 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ogf s VAL 129 N 1.62 0.02 -1.56 1.61 0.11 -1.26 -4.27 120.40 116.67 1ogf s VAL 129 Ca 0.00 -0.13 0.28 0.00 -2.93 0.00 0.00 61.98 59.20 1ogf s VAL 129 Cb 0.00 -0.06 0.57 0.00 -1.53 0.00 0.00 36.38 35.35 1ogf s VAL 129 CO 0.00 -0.07 1.99 0.18 -3.33 0.00 0.00 175.10 173.87 1ogf n LEU 130 N 2.86 0.00 0.00 2.54 4.77 -1.26 -5.10 117.00 120.80 1ogf n LEU 130 Ca -0.14 0.22 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 1ogf n LEU 130 Cb 0.59 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 1ogf n LEU 130 CO 0.25 -0.02 0.00 2.22 -1.33 0.00 0.00 177.39 178.51