#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 4.34 -0.08 0.03 2.20 -1.26 -4.96 119.74 120.01 1ogf s LYS 2 Ca 0.00 2.06 -0.24 0.00 -0.36 0.00 0.00 55.97 57.43 1ogf s LYS 2 Cb 0.00 -3.24 -0.20 0.00 -1.51 0.00 0.00 37.83 32.88 1ogf s LYS 2 CO 0.00 -0.39 0.87 0.87 -0.36 0.00 0.00 175.35 176.34 1ogf h LYS 3 N 6.51 -0.05 -5.58 4.03 1.57 -2.05 -3.48 116.57 117.52 1ogf h LYS 3 Ca -0.43 0.00 -0.63 0.00 -1.87 0.00 0.00 60.65 57.73 1ogf h LYS 3 Cb 1.21 0.01 -0.09 0.00 0.08 0.00 0.00 32.23 33.44 1ogf h LYS 3 CO 0.84 0.61 -0.44 -1.01 -0.57 0.00 0.00 179.45 178.88 1ogf s HIS 4 N -3.00 1.90 0.00 -1.35 3.76 -1.26 -5.09 115.29 110.25 1ogf s HIS 4 Ca -0.15 -0.85 0.00 0.00 -0.15 0.00 0.00 55.06 53.90 1ogf s HIS 4 Cb -0.01 -1.78 0.00 0.00 1.11 0.00 0.00 32.58 31.90 1ogf s HIS 4 CO 0.59 -0.03 0.00 0.41 -0.85 0.00 0.00 174.74 174.85 1ogf n GLY 5 N -1.44 -2.76 3.76 -2.22 0.00 -1.26 -4.93 105.19 96.34 1ogf n GLY 5 Ca -0.10 -1.69 -0.39 0.00 0.00 0.00 0.00 46.02 43.84 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 -0.88 2.24 0.14 -0.61 2.07 -1.26 -4.94 121.20 117.97 1ogf s ILE 6 Ca 0.00 0.21 -0.05 0.00 -1.41 0.00 0.00 60.65 59.40 1ogf s ILE 6 Cb 0.00 -3.12 -0.14 0.00 0.13 0.00 0.00 42.46 39.33 1ogf s ILE 6 CO 0.00 0.02 1.36 0.25 -1.91 0.00 0.00 174.94 174.66 1ogf h LEU 7 N 2.21 0.59 -9.40 8.50 5.85 -2.00 -3.44 115.31 117.61 1ogf h LEU 7 Ca -0.51 -0.42 -0.54 0.00 0.84 0.00 0.00 57.88 57.26 1ogf h LEU 7 Cb 1.27 -0.18 0.01 0.00 0.37 0.00 0.00 40.66 42.13 1ogf h LEU 7 CO 0.61 1.19 1.01 0.21 -0.34 0.00 0.00 178.44 181.12 1ogf s ASN 8 N -7.04 6.63 0.18 1.25 3.84 -1.26 -4.91 114.94 113.62 1ogf s ASN 8 Ca -0.07 2.41 -0.12 0.00 0.21 0.00 0.00 52.86 55.29 1ogf s ASN 8 Cb 0.09 -2.56 0.08 0.00 -0.55 0.00 0.00 41.25 38.32 1ogf s ASN 8 CO 0.86 -0.89 1.78 0.77 -2.79 0.00 0.00 177.10 176.84 1ogf h SER 9 N 8.62 0.76 -0.50 -4.21 4.64 -1.99 0.29 113.55 121.16 1ogf h SER 9 Ca -0.42 -0.10 -0.04 0.00 -0.47 0.00 0.00 61.79 60.76 1ogf h SER 9 Cb 1.20 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 63.07 1ogf h SER 9 CO 0.93 0.65 0.16 0.45 -0.87 0.00 0.00 176.83 178.15 1ogf h HIS 10 N 0.82 0.79 -0.45 4.77 3.86 -1.99 -2.52 115.15 120.43 1ogf h HIS 10 Ca 0.21 -0.08 -0.11 0.00 -1.16 0.00 0.00 60.37 59.24 1ogf h HIS 10 Cb 0.07 -0.23 -0.01 0.00 1.06 0.00 0.00 27.41 28.29 1ogf h HIS 10 CO -0.01 0.68 -0.14 -0.07 0.86 0.00 0.00 177.93 179.26 1ogf h LEU 11 N 0.67 0.90 -0.67 2.43 3.38 -1.92 -2.82 115.31 117.28 1ogf h LEU 11 Ca 0.16 -0.37 0.11 0.00 0.09 0.00 0.00 57.88 57.87 1ogf h LEU 11 Cb 0.26 -0.25 -0.08 0.00 0.09 0.00 0.00 40.66 40.68 1ogf h LEU 11 CO -0.01 1.07 0.25 0.00 0.09 0.00 0.00 178.44 179.84 1ogf h ALA 12 N 0.86 0.89 -0.43 1.53 0.00 -0.79 0.36 119.26 121.68 1ogf h ALA 12 Ca 0.11 0.10 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 1ogf h ALA 12 Cb 0.69 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 1ogf h ALA 12 CO 0.05 -0.20 0.10 0.87 0.00 0.00 0.00 179.25 180.07 1ogf h LYS 13 N 0.41 0.65 -0.07 0.00 1.57 -1.28 -0.76 116.57 117.09 1ogf h LYS 13 Ca 0.35 -0.12 -0.03 0.00 -1.87 0.00 0.00 60.65 58.99 1ogf h LYS 13 Cb 0.48 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.68 1ogf h LYS 13 CO -0.35 0.60 -0.05 0.82 -0.57 0.00 0.00 179.45 179.89 1ogf h ILE 14 N 0.63 1.35 -0.49 1.86 1.08 -0.83 -3.16 117.51 117.95 1ogf h ILE 14 Ca 0.14 -1.14 -0.02 0.00 -0.39 0.00 0.00 64.86 63.45 1ogf h ILE 14 Cb 0.25 1.95 -0.02 0.00 -3.07 0.00 0.00 36.82 35.93 1ogf h ILE 14 CO -0.00 0.32 0.20 -0.07 -0.69 0.00 0.00 178.15 177.91 1ogf h LEU 15 N -0.24 0.63 -1.41 1.44 3.38 -0.78 -2.74 115.31 115.59 1ogf h LEU 15 Ca 0.01 -0.07 0.10 0.00 0.09 0.00 0.00 57.88 58.02 1ogf h LEU 15 Cb 0.53 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 41.07 1ogf h LEU 15 CO 0.01 0.56 0.50 0.00 0.09 0.00 0.00 178.44 179.61 1ogf h ALA 16 N 1.54 1.84 0.00 1.53 0.00 -1.11 -2.16 119.26 120.90 1ogf h ALA 16 Ca 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1ogf h ALA 16 Cb 0.12 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1ogf h ALA 16 CO -0.02 -0.01 -0.68 -0.25 0.00 0.00 0.00 179.25 178.29 1ogf n ASP 17 N -4.50 0.61 -4.64 0.00 8.00 -1.05 -4.95 116.55 110.01 1ogf n ASP 17 Ca 0.13 -0.15 -0.50 0.00 0.71 0.00 0.00 54.79 54.99 1ogf n ASP 17 Cb 0.36 0.38 -0.05 0.00 -0.02 0.00 0.00 41.12 41.79 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 -1.80 2.45 -4.65 0.64 4.77 -0.82 -4.99 117.00 112.60 1ogf n LEU 18 Ca 0.04 1.09 -0.26 0.00 -0.03 0.00 0.00 56.01 56.84 1ogf n LEU 18 Cb 0.39 -1.30 -0.10 0.00 -2.33 0.00 0.00 43.42 40.09 1ogf n LEU 18 CO 0.37 -0.60 -0.26 -0.83 -1.33 0.00 0.00 177.39 174.73 1ogf s GLY 19 N 1.24 2.36 -0.01 -0.72 0.00 -1.26 -5.02 107.32 103.91 1ogf s GLY 19 Ca 0.84 -2.18 -0.34 0.00 0.00 0.00 0.00 44.72 43.05 1ogf s GLY 19 CO 0.45 -2.01 1.82 1.57 0.00 0.00 0.00 173.10 174.93 1ogf n HIS 20 N -1.02 2.35 -0.05 1.90 -0.00 -1.26 -1.72 115.22 115.42 1ogf n HIS 20 Ca -0.04 0.01 0.00 0.00 0.46 0.00 0.00 57.72 58.16 1ogf n HIS 20 Cb 0.65 -2.65 0.00 0.00 -0.12 0.00 0.00 29.99 27.87 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 4.76 0.00 -1.86 3.57 -2.24 -0.12 -5.01 114.28 113.38 1ogf n THR 21 Ca 0.21 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.63 1ogf n THR 21 Cb 0.31 0.00 0.05 0.00 -2.10 0.00 0.00 70.33 68.59 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 -2.88 4.91 0.02 3.42 1.01 -0.70 -4.53 116.67 117.92 1ogf s ASP 22 Ca 0.00 2.43 0.07 0.00 0.71 0.00 0.00 52.55 55.76 1ogf s ASP 22 Cb 0.00 -2.60 -0.02 0.00 1.01 0.00 0.00 42.92 41.31 1ogf s ASP 22 CO 0.00 -1.79 -0.21 -0.54 0.21 0.00 0.00 175.17 172.85 1ogf s LYS 23 N -3.45 1.49 0.29 8.23 1.02 -1.26 -1.04 119.74 125.02 1ogf s LYS 23 Ca 0.78 -0.88 0.08 0.00 0.02 0.00 0.00 55.97 55.97 1ogf s LYS 23 Cb -0.31 -1.55 -0.06 0.00 -0.52 0.00 0.00 37.83 35.39 1ogf s LYS 23 CO 0.37 0.41 -0.08 0.96 -0.92 0.00 0.00 175.35 176.08 1ogf s ILE 24 N -0.70 1.85 0.03 2.17 -4.36 -0.70 -0.34 121.20 119.15 1ogf s ILE 24 Ca 0.08 -2.17 0.06 0.00 -0.26 0.00 0.00 60.65 58.36 1ogf s ILE 24 Cb -0.09 -2.45 -0.02 0.00 1.25 0.00 0.00 42.46 41.15 1ogf s ILE 24 CO 0.01 -0.31 -0.18 -0.69 0.24 0.00 0.00 174.94 174.01 1ogf s VAL 25 N -2.88 1.44 -0.15 8.37 1.01 -0.67 -0.89 120.40 126.63 1ogf s VAL 25 Ca 0.30 -1.07 0.02 0.00 0.00 0.00 0.00 61.98 61.23 1ogf s VAL 25 Cb 0.02 -1.26 0.01 0.00 0.00 0.00 0.00 36.38 35.16 1ogf s VAL 25 CO 0.13 0.17 -0.20 -0.63 0.00 0.00 0.00 175.10 174.56 1ogf s ILE 26 N -0.76 2.19 0.16 2.22 1.01 -0.55 0.27 121.20 125.75 1ogf s ILE 26 Ca 0.05 -0.93 0.08 0.00 0.00 0.00 0.00 60.65 59.86 1ogf s ILE 26 Cb -0.08 -1.90 -0.04 0.00 0.01 0.00 0.00 42.46 40.45 1ogf s ILE 26 CO 0.01 0.54 -0.17 0.00 0.00 0.00 0.00 174.94 175.32 1ogf s ALA 27 N 0.94 1.89 1.01 9.38 0.00 0.10 -1.80 121.76 133.27 1ogf s ALA 27 Ca -0.04 -1.47 -0.16 0.00 0.00 0.00 0.00 51.96 50.29 1ogf s ALA 27 Cb -0.15 -0.15 0.21 0.00 0.00 0.00 0.00 23.12 23.04 1ogf s ALA 27 CO -0.04 0.18 1.26 0.16 0.00 0.00 0.00 175.76 177.32 1ogf s ASP 28 N -2.71 2.70 0.00 0.00 3.84 -0.98 -0.43 116.67 119.09 1ogf s ASP 28 Ca 0.15 0.42 0.11 0.00 -0.00 0.00 0.00 52.55 53.22 1ogf s ASP 28 Cb -0.05 -0.56 0.60 0.00 -1.38 0.00 0.00 42.92 41.53 1ogf s ASP 28 CO 0.06 -3.01 1.12 0.00 -0.00 0.00 0.00 175.17 173.34 1ogf n ALA 29 N -3.98 1.82 0.04 2.11 0.00 0.50 -3.19 120.51 117.81 1ogf n ALA 29 Ca 0.14 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.52 1ogf n ALA 29 Cb 0.59 -1.17 -0.00 0.00 0.00 0.00 0.00 19.45 18.87 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 -0.36 -0.24 3.72 0.00 0.00 -1.26 -5.03 105.19 102.02 1ogf n GLY 30 Ca 0.07 -0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.05 4.37 0.31 0.99 2.96 -1.19 -4.96 118.68 120.10 1ogf s LEU 31 Ca 0.01 2.55 -0.28 0.00 -0.22 0.00 0.00 54.13 56.19 1ogf s LEU 31 Cb 0.01 -3.59 -0.09 0.00 0.50 0.00 0.00 46.19 43.01 1ogf s LEU 31 CO 0.02 -0.78 1.08 -2.16 -1.32 0.00 0.00 176.35 173.19 1ogf s PRO 32 N 1.02 4.54 -0.25 0.98 0.04 -1.26 -4.99 135.00 135.09 1ogf s PRO 32 Ca 0.68 1.72 -0.10 0.00 0.04 0.00 0.00 61.00 63.34 1ogf s PRO 32 Cb -0.42 -3.04 -0.04 0.00 0.04 0.00 0.00 34.50 31.03 1ogf s PRO 32 CO 0.32 0.15 0.14 0.08 0.04 0.00 0.00 177.00 177.72 1ogf s VAL 33 N -1.28 5.03 0.72 -0.36 1.01 -1.26 -5.07 120.40 119.19 1ogf s VAL 33 Ca 0.47 0.07 -0.16 0.00 0.00 0.00 0.00 61.98 62.36 1ogf s VAL 33 Cb -0.29 -3.36 0.03 0.00 0.00 0.00 0.00 36.38 32.76 1ogf s VAL 33 CO 0.37 0.33 1.22 -2.65 0.00 0.00 0.00 175.10 174.37 1ogf n PRO 34 N 4.59 0.68 -1.97 2.72 -0.02 -1.26 -4.92 135.00 134.83 1ogf n PRO 34 Ca -0.15 0.30 -0.41 0.00 -2.02 0.00 0.00 63.50 61.22 1ogf n PRO 34 Cb 0.52 -2.46 -0.02 0.00 -0.02 0.00 0.00 33.50 31.52 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 -1.70 6.59 0.00 2.55 1.01 -1.26 -2.42 116.67 121.45 1ogf s ASP 35 Ca 0.78 2.76 0.00 0.00 0.71 0.00 0.00 52.55 56.80 1ogf s ASP 35 Cb -0.34 -2.63 0.00 0.00 1.01 0.00 0.00 42.92 40.95 1ogf s ASP 35 CO 0.45 -0.73 0.00 0.61 0.21 0.00 0.00 175.17 175.72 1ogf n GLY 36 N 1.74 1.63 3.64 0.21 0.00 -1.26 -5.03 105.19 106.12 1ogf n GLY 36 Ca 0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.43 5.19 0.29 1.61 1.01 -1.02 -5.03 120.40 120.01 1ogf s VAL 37 Ca 0.00 0.64 -0.30 0.00 0.00 0.00 0.00 61.98 62.32 1ogf s VAL 37 Cb 0.00 -3.71 -0.12 0.00 0.00 0.00 0.00 36.38 32.55 1ogf s VAL 37 CO 0.00 0.21 1.58 -0.11 0.00 0.00 0.00 175.10 176.78 1ogf n LEU 38 N 4.89 4.25 -4.27 3.92 7.94 -1.26 -4.80 117.00 127.67 1ogf n LEU 38 Ca -0.08 1.15 -0.35 0.00 -1.11 0.00 0.00 56.01 55.61 1ogf n LEU 38 Cb 0.51 -1.58 -0.14 0.00 0.53 0.00 0.00 43.42 42.74 1ogf n LEU 38 CO 0.39 0.10 -0.40 -0.75 -1.11 0.00 0.00 177.39 175.61 1ogf s LYS 39 N -0.48 3.24 -0.45 1.96 2.20 -1.26 -0.53 119.74 124.41 1ogf s LYS 39 Ca 0.64 -0.71 -0.05 0.00 -0.36 0.00 0.00 55.97 55.49 1ogf s LYS 39 Cb -0.51 -2.96 0.12 0.00 -1.51 0.00 0.00 37.83 32.97 1ogf s LYS 39 CO 0.48 -0.24 0.28 0.42 -0.36 0.00 0.00 175.35 175.94 1ogf s ILE 40 N 1.43 3.68 -0.43 5.43 1.01 -0.43 -4.98 121.20 126.91 1ogf s ILE 40 Ca 0.05 -2.04 -0.22 0.00 0.00 0.00 0.00 60.65 58.43 1ogf s ILE 40 Cb -0.15 -3.47 0.02 0.00 0.01 0.00 0.00 42.46 38.88 1ogf s ILE 40 CO -0.04 -0.74 0.74 -0.62 0.00 0.00 0.00 174.94 174.27 1ogf s ASP 41 N 2.04 6.41 0.07 3.58 3.68 -1.26 -1.59 116.67 129.59 1ogf s ASP 41 Ca 0.08 -0.09 0.23 0.00 2.13 0.00 0.00 52.55 54.90 1ogf s ASP 41 Cb -0.24 -2.37 0.03 0.00 -1.45 0.00 0.00 42.92 38.89 1ogf s ASP 41 CO -0.03 -0.84 1.00 0.18 0.13 0.00 0.00 175.17 175.61 1ogf n LEU 42 N 6.54 0.60 -4.38 -1.34 4.77 -0.16 -4.95 117.00 118.07 1ogf n LEU 42 Ca 0.01 0.05 -0.44 0.00 -0.03 0.00 0.00 56.01 55.60 1ogf n LEU 42 Cb 0.48 -0.09 -0.01 0.00 -2.33 0.00 0.00 43.42 41.47 1ogf n LEU 42 CO 0.56 -0.00 -0.13 -1.54 -1.33 0.00 0.00 177.39 174.96 1ogf n SER 43 N -2.10 -1.65 0.00 -1.43 3.41 -1.15 -4.50 113.62 106.19 1ogf n SER 43 Ca 0.01 0.96 0.00 0.00 -0.26 0.00 0.00 58.87 59.58 1ogf n SER 43 Cb 0.46 -0.98 0.00 0.00 -0.26 0.00 0.00 64.21 63.43 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 1.92 2.53 -3.66 1.04 7.94 0.47 -4.88 117.00 122.36 1ogf n LEU 44 Ca 0.13 0.00 -0.04 0.00 -1.11 0.00 0.00 56.01 55.00 1ogf n LEU 44 Cb 0.35 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 44.28 1ogf n LEU 44 CO 0.55 0.42 0.79 -1.59 -1.11 0.00 0.00 177.39 176.46 1ogf s LYS 45 N -1.85 0.91 0.12 1.96 -2.85 -1.07 -5.04 119.74 111.92 1ogf s LYS 45 Ca 0.00 -0.46 -0.35 0.00 -1.00 0.00 0.00 55.97 54.16 1ogf s LYS 45 Cb 0.00 0.34 -0.15 0.00 -2.06 0.00 0.00 37.83 35.95 1ogf s LYS 45 CO 0.00 -0.41 1.44 -2.30 0.10 0.00 0.00 175.35 174.18 1ogf n PRO 46 N -0.40 1.60 0.00 1.78 -0.02 -1.26 -1.17 135.00 135.53 1ogf n PRO 46 Ca -0.07 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 1ogf n PRO 46 Cb 0.61 -2.27 0.00 0.00 -0.02 0.00 0.00 33.50 31.82 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 2.90 3.08 3.17 -1.23 0.00 0.25 -5.00 105.19 108.35 1ogf n GLY 47 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 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 1.98 0.53 0.99 1.43 -0.32 -2.72 118.68 120.58 1ogf s LEU 48 Ca 0.00 -0.50 -0.13 0.00 -1.03 0.00 0.00 54.13 52.47 1ogf s LEU 48 Cb 0.00 -1.27 -0.06 0.00 0.03 0.00 0.00 46.19 44.89 1ogf s LEU 48 CO 0.00 0.12 0.96 -2.16 0.23 0.00 0.00 176.35 175.50 1ogf s PRO 49 N 0.45 3.78 0.48 1.29 0.04 -1.26 -0.40 135.00 139.38 1ogf s PRO 49 Ca -0.17 0.77 -0.20 0.00 0.04 0.00 0.00 61.00 61.44 1ogf s PRO 49 Cb -0.17 -2.17 -0.09 0.00 0.04 0.00 0.00 34.50 32.11 1ogf s PRO 49 CO 0.07 -0.34 1.02 0.00 0.04 0.00 0.00 177.00 177.80 1ogf s ALA 50 N -2.79 2.90 0.17 8.56 0.00 -1.10 -0.42 121.76 129.09 1ogf s ALA 50 Ca 0.56 0.55 -0.14 0.00 0.00 0.00 0.00 51.96 52.93 1ogf s ALA 50 Cb -0.10 -3.23 0.14 0.00 0.00 0.00 0.00 23.12 19.93 1ogf s ALA 50 CO 0.40 -0.23 1.73 0.35 0.00 0.00 0.00 175.76 178.01 1ogf h PHE 51 N 1.59 0.21 -0.01 0.00 3.57 -1.93 -0.80 116.94 119.56 1ogf h PHE 51 Ca -0.49 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.03 1ogf h PHE 51 Cb 1.21 -0.03 -0.00 0.00 2.79 0.00 0.00 35.95 39.92 1ogf h PHE 51 CO 0.58 0.05 0.01 1.96 -2.23 0.00 0.00 178.31 178.68 1ogf h GLN 52 N 0.27 0.02 -0.39 1.11 4.20 -1.98 0.53 115.11 118.87 1ogf h GLN 52 Ca 0.22 -0.00 0.05 0.00 0.06 0.00 0.00 58.65 58.97 1ogf h GLN 52 Cb 0.25 -0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.98 1ogf h GLN 52 CO -0.25 0.17 0.14 -0.44 -0.67 0.00 0.00 178.83 177.77 1ogf h ASP 53 N -0.13 0.15 -0.53 1.46 3.32 -1.87 -0.51 116.42 118.31 1ogf h ASP 53 Ca 0.00 0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.08 1ogf h ASP 53 Cb 0.15 0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.71 1ogf h ASP 53 CO -0.00 0.12 0.24 0.74 -1.72 0.00 0.00 179.24 178.62 1ogf h THR 54 N 0.30 1.20 -0.31 0.35 2.02 -1.06 -2.36 112.91 113.05 1ogf h THR 54 Ca 0.18 -0.59 -0.02 0.00 0.77 0.00 0.00 66.41 66.75 1ogf h THR 54 Cb 0.16 0.62 -0.02 0.00 -1.74 0.00 0.00 68.15 67.17 1ogf h THR 54 CO -0.18 0.23 0.12 0.00 0.37 0.00 0.00 175.52 176.06 1ogf h ALA 55 N 1.08 1.64 -0.10 6.16 0.00 -0.32 -2.29 119.26 125.44 1ogf h ALA 55 Ca 0.18 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1ogf h ALA 55 Cb 0.14 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1ogf h ALA 55 CO -0.02 0.29 -0.08 0.00 0.00 0.00 0.00 179.25 179.43 1ogf h ALA 56 N 1.71 0.14 -0.12 0.00 0.00 -0.69 -2.31 119.26 117.99 1ogf h ALA 56 Ca 0.11 -0.29 0.04 0.00 0.00 0.00 0.00 54.91 54.77 1ogf h ALA 56 Cb 0.09 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 1ogf h ALA 56 CO -0.01 -0.04 -0.10 0.28 0.00 0.00 0.00 179.25 179.38 1ogf h VAL 57 N -0.17 0.70 -0.55 0.00 2.07 -1.17 -1.79 116.25 115.35 1ogf h VAL 57 Ca 0.02 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.57 1ogf h VAL 57 Cb 0.59 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 31.02 1ogf h VAL 57 CO 0.02 0.00 0.36 -0.07 0.02 0.00 0.00 177.57 177.90 1ogf h LEU 58 N -0.12 0.53 -1.17 2.57 -0.00 -1.42 -0.50 115.31 115.20 1ogf h LEU 58 Ca 0.08 -0.01 -0.08 0.00 -0.00 0.00 0.00 57.88 57.88 1ogf h LEU 58 Cb 0.24 -0.12 -0.01 0.00 -0.00 0.00 0.00 40.66 40.77 1ogf h LEU 58 CO -0.20 0.37 -0.32 0.00 -0.00 0.00 0.00 178.44 178.29 1ogf h ALA 59 N 1.68 1.31 0.00 1.53 0.00 -0.79 0.25 119.26 123.24 1ogf h ALA 59 Ca 0.22 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1ogf h ALA 59 Cb 0.11 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1ogf h ALA 59 CO -0.06 0.48 0.00 1.49 0.00 0.00 0.00 179.25 181.16 1ogf h GLU 60 N 0.14 0.00 -0.00 0.00 4.57 -0.29 -3.32 114.58 115.68 1ogf h GLU 60 Ca 0.02 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 1ogf h GLU 60 Cb 0.64 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.23 1ogf h GLU 60 CO 0.05 0.00 -0.21 0.39 -1.18 0.00 0.00 179.01 178.06 1ogf n GLU 61 N -3.08 3.63 -4.55 1.92 -0.58 -0.82 -5.01 120.64 112.15 1ogf n GLU 61 Ca 0.03 -0.25 -0.23 0.00 -0.42 0.00 0.00 57.16 56.30 1ogf n GLU 61 Cb 0.48 -0.88 -0.16 0.00 -0.57 0.00 0.00 31.44 30.32 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 -1.30 1.28 -0.72 3.49 1.75 0.85 -4.94 119.30 119.70 1ogf s MET 62 Ca 0.04 -0.41 -0.27 0.00 -1.25 0.00 0.00 55.69 53.80 1ogf s MET 62 Cb 0.05 -1.15 0.03 0.00 2.84 0.00 0.00 34.83 36.60 1ogf s MET 62 CO 0.21 0.15 1.25 0.00 -0.65 0.00 0.00 175.02 175.97 1ogf s ALA 63 N 0.18 2.80 -0.12 4.11 0.00 -1.26 -4.63 121.76 122.84 1ogf s ALA 63 Ca -0.04 -1.34 -0.14 0.00 0.00 0.00 0.00 51.96 50.44 1ogf s ALA 63 Cb -0.10 -4.21 -0.05 0.00 0.00 0.00 0.00 23.12 18.77 1ogf s ALA 63 CO 0.01 -3.18 0.34 0.08 0.00 0.00 0.00 175.76 173.01 1ogf s VAL 64 N 5.54 5.25 -0.35 0.00 1.01 -1.26 0.15 120.40 130.74 1ogf s VAL 64 Ca 0.35 0.66 0.12 0.00 0.00 0.00 0.00 61.98 63.10 1ogf s VAL 64 Cb -0.09 -3.67 -0.15 0.00 0.00 0.00 0.00 36.38 32.48 1ogf s VAL 64 CO 0.16 0.42 0.40 -1.84 0.00 0.00 0.00 175.10 174.24 1ogf n GLU 65 N 3.23 2.18 -3.54 2.72 0.28 0.16 -4.67 120.64 120.99 1ogf n GLU 65 Ca -0.12 -0.04 -0.16 0.00 -0.16 0.00 0.00 57.16 56.68 1ogf n GLU 65 Cb 0.52 -1.13 -0.06 0.00 1.43 0.00 0.00 31.44 32.20 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 -2.35 0.94 -0.04 3.44 2.20 -1.16 -3.51 119.74 119.27 1ogf s LYS 66 Ca 0.01 0.29 0.03 0.00 -0.36 0.00 0.00 55.97 55.94 1ogf s LYS 66 Cb 0.08 0.45 0.00 0.00 -1.51 0.00 0.00 37.83 36.85 1ogf s LYS 66 CO 0.48 -0.28 -0.12 0.08 -0.36 0.00 0.00 175.35 175.14 1ogf s VAL 67 N -1.06 1.07 -0.04 4.02 1.01 0.04 -1.19 120.40 124.26 1ogf s VAL 67 Ca -0.08 -0.51 0.06 0.00 0.00 0.00 0.00 61.98 61.45 1ogf s VAL 67 Cb -0.00 -0.94 -0.01 0.00 0.00 0.00 0.00 36.38 35.43 1ogf s VAL 67 CO 0.08 0.32 -0.21 -0.63 0.00 0.00 0.00 175.10 174.65 1ogf s ILE 68 N 0.18 1.73 0.18 2.22 1.01 -0.61 -1.20 121.20 124.72 1ogf s ILE 68 Ca -0.04 -0.91 -0.06 0.00 0.00 0.00 0.00 60.65 59.64 1ogf s ILE 68 Cb -0.10 -1.46 -0.02 0.00 0.01 0.00 0.00 42.46 40.89 1ogf s ILE 68 CO 0.01 0.49 0.24 0.00 0.00 0.00 0.00 174.94 175.68 1ogf s ALA 69 N -0.25 0.42 -0.01 9.38 0.00 -0.61 -0.67 121.76 130.03 1ogf s ALA 69 Ca 0.01 -1.21 -0.24 0.00 0.00 0.00 0.00 51.96 50.53 1ogf s ALA 69 Cb -0.11 1.04 -0.05 0.00 0.00 0.00 0.00 23.12 24.01 1ogf s ALA 69 CO 0.01 -0.64 0.71 0.00 0.00 0.00 0.00 175.76 175.84 1ogf s ALA 70 N -4.04 3.38 0.43 0.00 0.00 -1.26 -1.05 121.76 119.22 1ogf s ALA 70 Ca 0.25 0.18 0.20 0.00 0.00 0.00 0.00 51.96 52.59 1ogf s ALA 70 Cb 0.04 -2.94 1.15 0.00 0.00 0.00 0.00 23.12 21.38 1ogf s ALA 70 CO 0.05 0.02 1.83 0.00 0.00 0.00 0.00 175.76 177.67 1ogf h ALA 71 N 6.08 2.32 0.00 0.00 0.00 -0.24 0.23 119.26 127.65 1ogf h ALA 71 Ca -0.43 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1ogf h ALA 71 Cb 1.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1ogf h ALA 71 CO 0.72 -0.64 0.11 0.39 0.00 0.00 0.00 179.25 179.84 1ogf n GLU 72 N -4.50 0.09 0.18 0.00 4.71 -1.26 -1.36 120.64 118.50 1ogf n GLU 72 Ca 0.21 0.56 0.03 0.00 -0.01 0.00 0.00 57.16 57.96 1ogf n GLU 72 Cb 0.80 -1.91 0.33 0.00 -1.01 0.00 0.00 31.44 29.64 1ogf n GLU 72 CO 0.00 0.00 0.00 0.97 0.09 0.00 0.00 177.13 178.19 1ogf h ILE 73 N 0.00 1.13 -0.11 -3.67 2.10 -0.79 -1.47 117.51 114.70 1ogf h ILE 73 Ca 0.00 -1.54 -0.15 0.00 1.08 0.00 0.00 64.86 64.24 1ogf h ILE 73 Cb 0.23 1.87 0.01 0.00 -1.09 0.00 0.00 36.82 37.84 1ogf h ILE 73 CO 0.00 0.41 -0.53 0.11 -1.08 0.00 0.00 178.15 177.06 1ogf h LYS 74 N 0.00 0.56 -0.04 2.19 1.57 -1.41 0.19 116.57 119.63 1ogf h LYS 74 Ca -0.00 -0.45 -0.20 0.00 -1.87 0.00 0.00 60.65 58.13 1ogf h LYS 74 Cb 0.84 0.09 0.01 0.00 0.08 0.00 0.00 32.23 33.26 1ogf h LYS 74 CO 0.06 1.08 -0.74 0.00 -0.57 0.00 0.00 179.45 179.27 1ogf h ALA 75 N 0.48 0.14 -0.45 3.86 0.00 -1.67 -3.08 119.26 118.55 1ogf h ALA 75 Ca -0.04 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.27 1ogf h ALA 75 Cb 1.18 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1ogf h ALA 75 CO 0.11 0.50 0.00 0.43 0.00 0.00 0.00 179.25 180.29 1ogf n SER 76 N -4.07 3.40 -2.71 0.00 7.64 -0.56 -4.65 113.62 112.66 1ogf n SER 76 Ca -0.10 -1.98 -0.06 0.00 1.01 0.00 0.00 58.87 57.74 1ogf n SER 76 Cb 0.73 -0.29 0.08 0.00 -1.01 0.00 0.00 64.21 63.72 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 1.42 -2.04 -0.17 6.43 4.05 0.67 -4.52 115.26 121.11 1ogf n ASN 77 Ca 0.20 -2.77 0.06 0.00 0.45 0.00 0.00 54.58 52.52 1ogf n ASN 77 Cb 0.58 1.47 0.36 0.00 1.23 0.00 0.00 39.78 43.42 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 3.15 0.72 0.66 1.20 5.75 -1.55 -2.90 115.11 122.14 1ogf h GLN 78 Ca -0.19 -0.04 -0.03 0.00 -0.15 0.00 0.00 58.65 58.23 1ogf h GLN 78 Cb 1.13 -0.16 0.01 0.00 1.07 0.00 0.00 27.48 29.52 1ogf h GLN 78 CO 0.09 0.48 -0.32 1.49 -2.65 0.00 0.00 178.83 177.92 1ogf h GLU 79 N 0.74 -0.85 -0.09 1.69 4.81 -1.90 -3.07 114.58 115.91 1ogf h GLU 79 Ca 0.30 0.06 0.03 0.00 -0.13 0.00 0.00 59.36 59.62 1ogf h GLU 79 Cb 0.23 0.19 -0.00 0.00 0.63 0.00 0.00 28.75 29.80 1ogf h GLU 79 CO -0.10 -0.57 0.29 -0.91 -0.73 0.00 0.00 179.01 177.00 1ogf h ASN 80 N -1.03 0.00 0.45 1.04 -0.26 -1.89 -0.26 115.58 113.63 1ogf h ASN 80 Ca -0.09 0.00 -0.22 0.00 -0.56 0.00 0.00 56.30 55.43 1ogf h ASN 80 Cb 0.68 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 37.93 1ogf h ASN 80 CO 0.15 0.00 -0.96 0.00 -1.06 0.00 0.00 177.43 175.56 1ogf h ALA 81 N 1.50 0.37 -0.16 -0.83 0.00 -1.45 -2.98 119.26 115.71 1ogf h ALA 81 Ca 0.05 -0.74 -0.20 0.00 0.00 0.00 0.00 54.91 54.02 1ogf h ALA 81 Cb 0.63 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.40 1ogf h ALA 81 CO -0.00 0.87 -0.68 0.87 0.00 0.00 0.00 179.25 180.30 1ogf h LYS 82 N 0.17 0.74 -0.44 0.00 1.57 -0.97 -2.82 116.57 114.83 1ogf h LYS 82 Ca -0.08 -0.59 0.09 0.00 -1.87 0.00 0.00 60.65 58.20 1ogf h LYS 82 Cb 1.61 0.12 -0.08 0.00 0.08 0.00 0.00 32.23 33.96 1ogf h LYS 82 CO 0.16 1.20 -0.04 0.35 -0.57 0.00 0.00 179.45 180.55 1ogf h PHE 83 N 0.45 -0.11 -0.49 -1.35 3.57 -1.47 0.67 116.94 118.21 1ogf h PHE 83 Ca -0.04 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 1ogf h PHE 83 Cb 1.31 0.12 -0.02 0.00 2.79 0.00 0.00 35.95 40.15 1ogf h PHE 83 CO 0.09 -0.13 0.22 -0.07 -2.23 0.00 0.00 178.31 176.19 1ogf h LEU 84 N 0.06 0.66 -0.65 0.59 3.38 -1.53 0.22 115.31 118.04 1ogf h LEU 84 Ca 0.22 -0.14 0.05 0.00 0.09 0.00 0.00 57.88 58.09 1ogf h LEU 84 Cb 0.33 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.86 1ogf h LEU 84 CO -0.40 0.62 0.37 -0.33 0.09 0.00 0.00 178.44 178.79 1ogf h GLU 85 N 0.65 0.68 -0.02 1.13 4.39 -1.07 -0.58 114.58 119.77 1ogf h GLU 85 Ca 0.17 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.82 1ogf h GLU 85 Cb 0.14 -0.15 -0.00 0.00 -0.10 0.00 0.00 28.75 28.64 1ogf h GLU 85 CO -0.02 0.45 -0.01 -0.91 -1.16 0.00 0.00 179.01 177.36 1ogf h ASN 86 N 0.70 0.05 -0.69 1.42 -0.26 -0.53 -3.22 115.58 113.04 1ogf h ASN 86 Ca 0.28 -0.44 0.00 0.00 -0.56 0.00 0.00 56.30 55.58 1ogf h ASN 86 Cb 0.13 -0.01 -0.03 0.00 -1.06 0.00 0.00 38.32 37.34 1ogf h ASN 86 CO -0.16 0.48 0.44 0.25 -1.06 0.00 0.00 177.43 177.38 1ogf h LEU 87 N -0.38 0.82 -5.93 1.61 5.85 -0.37 -3.19 115.31 113.70 1ogf h LEU 87 Ca 0.00 -0.04 -0.72 0.00 0.84 0.00 0.00 57.88 57.96 1ogf h LEU 87 Cb 0.46 -0.21 -0.33 0.00 0.37 0.00 0.00 40.66 40.96 1ogf h LEU 87 CO 0.00 0.62 0.37 0.49 -0.34 0.00 0.00 178.44 179.58 1ogf n PHE 88 N -4.57 3.24 0.12 1.25 3.01 -0.24 -4.85 117.46 115.42 1ogf n PHE 88 Ca 0.06 -3.13 -0.15 0.00 1.01 0.00 0.00 57.45 55.24 1ogf n PHE 88 Cb 0.04 -0.92 -0.08 0.00 -0.01 0.00 0.00 39.48 38.51 1ogf n PHE 88 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 1ogf h SER 89 N 3.82 -1.28 -0.00 4.37 0.02 -1.56 -2.44 113.55 116.49 1ogf h SER 89 Ca 0.36 0.14 0.00 0.00 -0.84 0.00 0.00 61.79 61.45 1ogf h SER 89 Cb 0.41 0.48 0.00 0.00 0.14 0.00 0.00 62.40 63.43 1ogf h SER 89 CO 1.05 -0.50 0.00 -0.62 -1.14 0.00 0.00 176.83 175.61 1ogf n GLU 90 N -5.47 1.01 -4.05 3.45 1.02 -1.26 -4.86 120.64 110.48 1ogf n GLU 90 Ca -0.08 -0.02 -0.28 0.00 -0.02 0.00 0.00 57.16 56.77 1ogf n GLU 90 Cb 0.39 -1.21 -0.05 0.00 -0.02 0.00 0.00 31.44 30.55 1ogf n GLU 90 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1ogf s GLN 91 N -2.00 2.97 0.08 3.49 1.11 -0.92 -5.03 119.66 119.36 1ogf s GLN 91 Ca 0.20 -0.78 -0.30 0.00 0.01 0.00 0.00 55.36 54.48 1ogf s GLN 91 Cb 0.09 -2.71 -0.05 0.00 -1.01 0.00 0.00 33.01 29.32 1ogf s GLN 91 CO 0.15 0.51 1.11 -2.00 0.01 0.00 0.00 175.29 175.08 1ogf s GLU 92 N -2.90 4.52 -0.27 2.91 2.12 -1.23 -4.91 118.70 118.94 1ogf s GLU 92 Ca 0.31 1.66 0.02 0.00 0.36 0.00 0.00 54.97 57.31 1ogf s GLU 92 Cb -0.11 -3.36 0.06 0.00 0.26 0.00 0.00 34.13 30.98 1ogf s GLU 92 CO 0.24 -0.10 -0.08 0.42 -0.54 0.00 0.00 175.26 175.19 1ogf s ILE 93 N 0.68 2.37 -0.10 -3.70 1.01 -1.26 -0.78 121.20 119.42 1ogf s ILE 93 Ca 0.54 -1.58 -0.03 0.00 0.00 0.00 0.00 60.65 59.59 1ogf s ILE 93 Cb -0.27 -2.39 -0.03 0.00 0.01 0.00 0.00 42.46 39.78 1ogf s ILE 93 CO 0.30 -0.05 0.02 -0.70 0.00 0.00 0.00 174.94 174.51 1ogf s GLU 94 N 1.14 3.13 -0.07 2.79 2.12 -0.34 -5.01 118.70 122.46 1ogf s GLU 94 Ca -0.08 -0.38 0.03 0.00 0.36 0.00 0.00 54.97 54.89 1ogf s GLU 94 Cb -0.20 -2.86 -0.02 0.00 0.26 0.00 0.00 34.13 31.31 1ogf s GLU 94 CO -0.04 0.66 -0.14 0.71 -0.54 0.00 0.00 175.26 175.91 1ogf s TYR 95 N -0.74 2.73 0.25 5.30 1.51 -1.26 -1.57 117.35 123.57 1ogf s TYR 95 Ca 0.12 -0.26 0.01 0.00 -1.01 0.00 0.00 57.07 55.93 1ogf s TYR 95 Cb -0.12 -1.68 -0.05 0.00 -0.11 0.00 0.00 41.96 40.00 1ogf s TYR 95 CO 0.02 0.10 0.09 -0.51 -1.11 0.00 0.00 175.55 174.14 1ogf s LEU 96 N -0.49 1.67 0.61 -1.29 1.43 -0.22 -4.82 118.68 115.57 1ogf s LEU 96 Ca 0.06 -1.37 -0.17 0.00 -1.03 0.00 0.00 54.13 51.62 1ogf s LEU 96 Cb -0.12 0.01 -0.03 0.00 0.03 0.00 0.00 46.19 46.09 1ogf s LEU 96 CO 0.02 -0.72 1.12 -0.94 0.23 0.00 0.00 176.35 176.06 1ogf s SER 97 N -3.30 5.38 0.32 2.29 1.04 -1.26 0.52 113.70 118.67 1ogf s SER 97 Ca 0.37 2.09 0.06 0.00 0.48 0.00 0.00 55.95 58.94 1ogf s SER 97 Cb 0.08 -2.57 0.70 0.00 0.10 0.00 0.00 66.02 64.34 1ogf s SER 97 CO 0.13 -1.45 1.83 -0.74 0.98 0.00 0.00 173.24 173.99 1ogf h HIS 98 N 0.57 1.01 0.14 5.02 2.76 -1.92 0.11 115.15 122.83 1ogf h HIS 98 Ca -0.48 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 57.71 1ogf h HIS 98 Cb 1.25 -0.31 -0.00 0.00 1.55 0.00 0.00 27.41 29.90 1ogf h HIS 98 CO 0.53 0.34 -0.09 0.93 -1.30 0.00 0.00 177.93 178.34 1ogf h GLU 99 N 0.82 -0.22 -0.74 5.26 4.39 -2.00 0.60 114.58 122.70 1ogf h GLU 99 Ca 0.51 0.01 0.05 0.00 0.34 0.00 0.00 59.36 60.27 1ogf h GLU 99 Cb 0.70 0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 29.35 1ogf h GLU 99 CO -0.28 -0.14 0.45 0.93 -1.16 0.00 0.00 179.01 178.81 1ogf h GLU 100 N -0.23 0.82 -0.02 2.33 5.08 -1.68 -1.92 114.58 118.98 1ogf h GLU 100 Ca -0.01 -0.05 0.03 0.00 -1.00 0.00 0.00 59.36 58.33 1ogf h GLU 100 Cb 0.19 -0.19 -0.05 0.00 0.50 0.00 0.00 28.75 29.21 1ogf h GLU 100 CO 0.01 0.55 -0.27 0.35 -1.00 0.00 0.00 179.01 178.64 1ogf h PHE 101 N 0.85 -0.74 -0.97 4.33 3.57 -0.35 -1.38 116.94 122.25 1ogf h PHE 101 Ca 0.31 0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.90 1ogf h PHE 101 Cb 0.10 0.33 -0.06 0.00 2.79 0.00 0.00 35.95 39.11 1ogf h PHE 101 CO -0.05 -0.36 0.63 0.87 -2.23 0.00 0.00 178.31 177.17 1ogf h LYS 102 N -0.41 1.10 -0.02 1.11 1.57 -0.45 0.49 116.57 119.96 1ogf h LYS 102 Ca 0.07 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 1ogf h LYS 102 Cb 0.50 -0.25 -0.00 0.00 0.08 0.00 0.00 32.23 32.56 1ogf h LYS 102 CO -0.25 0.73 -0.12 -0.07 -0.57 0.00 0.00 179.45 179.17 1ogf h LEU 103 N 1.13 0.03 -0.44 2.94 3.38 -0.67 -2.18 115.31 119.50 1ogf h LEU 103 Ca 0.41 -0.00 -0.18 0.00 0.09 0.00 0.00 57.88 58.20 1ogf h LEU 103 Cb 0.16 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1ogf h LEU 103 CO -0.16 0.15 -0.73 -0.07 0.09 0.00 0.00 178.44 177.73 1ogf h LEU 104 N 0.03 0.37 -1.18 1.67 3.38 0.15 -3.08 115.31 116.66 1ogf h LEU 104 Ca 0.01 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1ogf h LEU 104 Cb 0.23 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1ogf h LEU 104 CO 0.02 0.98 0.00 0.35 0.09 0.00 0.00 178.44 179.88 1ogf n THR 105 N -3.81 1.09 0.25 0.22 -2.24 -0.80 -1.81 114.28 107.18 1ogf n THR 105 Ca -0.04 0.63 0.11 0.00 -2.27 0.00 0.00 64.05 62.48 1ogf n THR 105 Cb 0.71 -1.62 0.66 0.00 -2.10 0.00 0.00 70.33 67.98 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 -0.00 -0.78 1.57 -1.60 -2.16 116.57 113.60 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 0.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.37 1ogf h LYS 106 CO 0.00 0.15 -0.45 -0.25 -0.57 0.00 0.00 179.45 178.33 1ogf n ASP 107 N -3.71 0.76 -4.75 0.86 8.00 -0.75 -4.92 116.55 112.05 1ogf n ASP 107 Ca -0.02 -0.56 -0.37 0.00 0.71 0.00 0.00 54.79 54.55 1ogf n ASP 107 Cb 0.27 0.27 0.05 0.00 -0.02 0.00 0.00 41.12 41.68 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 -2.81 2.55 -0.35 2.24 0.00 -0.81 -4.73 121.76 117.85 1ogf s ALA 108 Ca 0.16 1.14 0.26 0.00 0.00 0.00 0.00 51.96 53.52 1ogf s ALA 108 Cb 0.18 -3.51 0.69 0.00 0.00 0.00 0.00 23.12 20.48 1ogf s ALA 108 CO 0.64 -1.34 1.73 0.87 0.00 0.00 0.00 175.76 177.66 1ogf h LYS 109 N 0.91 0.00 -1.07 0.00 1.79 -1.02 -3.45 116.57 113.73 1ogf h LYS 109 Ca -0.51 0.00 0.33 0.00 -2.18 0.00 0.00 60.65 58.29 1ogf h LYS 109 Cb 1.31 0.00 -0.21 0.00 -1.58 0.00 0.00 32.23 31.76 1ogf h LYS 109 CO 0.55 0.00 0.97 0.00 -1.08 0.00 0.00 179.45 179.89 1ogf s ALA 110 N -3.31 -2.20 -0.16 3.86 0.00 -1.26 -4.20 121.76 114.48 1ogf s ALA 110 Ca 0.06 1.89 0.01 0.00 0.00 0.00 0.00 51.96 53.92 1ogf s ALA 110 Cb 0.07 -0.38 0.02 0.00 0.00 0.00 0.00 23.12 22.83 1ogf s ALA 110 CO 0.61 -0.56 -0.20 0.08 0.00 0.00 0.00 175.76 175.70 1ogf s VAL 111 N -2.06 1.97 -0.41 0.00 1.01 0.31 -1.67 120.40 119.56 1ogf s VAL 111 Ca 0.12 -0.90 -0.18 0.00 0.00 0.00 0.00 61.98 61.02 1ogf s VAL 111 Cb -0.01 -1.78 0.02 0.00 0.00 0.00 0.00 36.38 34.61 1ogf s VAL 111 CO -0.02 0.53 0.48 -0.63 0.00 0.00 0.00 175.10 175.45 1ogf s ILE 112 N 1.15 5.04 -0.21 2.22 1.01 0.14 -1.32 121.20 129.23 1ogf s ILE 112 Ca 0.01 -0.13 -0.23 0.00 0.00 0.00 0.00 60.65 60.30 1ogf s ILE 112 Cb -0.14 -4.04 -0.02 0.00 0.01 0.00 0.00 42.46 38.28 1ogf s ILE 112 CO -0.09 -0.40 0.72 -0.60 0.00 0.00 0.00 174.94 174.58 1ogf s ARG 113 N 2.29 4.21 0.59 2.79 3.52 -0.62 0.00 118.95 131.73 1ogf s ARG 113 Ca 0.15 0.77 0.07 0.00 -0.13 0.00 0.00 55.73 56.59 1ogf s ARG 113 Cb -0.16 -3.60 0.11 0.00 -1.56 0.00 0.00 34.95 29.73 1ogf s ARG 113 CO 0.14 -0.35 0.82 0.25 -0.81 0.00 0.00 175.30 175.35 1ogf n THR 114 N 4.91 0.00 -0.20 4.11 -2.24 0.43 -0.99 114.28 120.30 1ogf n THR 114 Ca 0.02 -1.76 0.10 0.00 -2.27 0.00 0.00 64.05 60.13 1ogf n THR 114 Cb 0.49 -0.64 0.30 0.00 -2.10 0.00 0.00 70.33 68.38 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 -1.93 2.21 3.67 3.38 0.00 0.44 -3.54 105.19 109.42 1ogf n GLY 115 Ca 0.16 -0.73 -0.44 0.00 0.00 0.00 0.00 46.02 45.01 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 1.23 2.61 -2.00 1.61 4.07 -1.22 0.85 120.64 127.80 1ogf n GLU 116 Ca 0.22 0.96 -0.33 0.00 -0.06 0.00 0.00 57.16 57.95 1ogf n GLU 116 Cb 0.66 -2.86 0.03 0.00 -0.06 0.00 0.00 31.44 29.21 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 6.91 3.13 -4.83 4.31 3.01 -1.26 -0.37 117.46 128.36 1ogf n PHE 117 Ca 0.21 -2.67 -0.27 0.00 1.01 0.00 0.00 57.45 55.72 1ogf n PHE 117 Cb 0.36 -0.79 -0.17 0.00 -0.01 0.00 0.00 39.48 38.87 1ogf n PHE 117 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 1ogf s THR 118 N -5.11 1.48 -0.09 4.37 2.01 -1.26 -5.03 115.64 112.00 1ogf s THR 118 Ca 0.53 -0.69 -0.39 0.00 0.31 0.00 0.00 61.69 61.45 1ogf s THR 118 Cb 0.44 -1.30 -0.17 0.00 0.01 0.00 0.00 72.50 71.48 1ogf s THR 118 CO -0.22 0.43 1.50 -2.65 -0.69 0.00 0.00 174.62 172.99 1ogf n PRO 119 N 3.57 1.05 -1.61 4.92 -0.02 -1.26 -2.31 135.00 139.33 1ogf n PRO 119 Ca -0.21 0.38 -0.20 0.00 -2.02 0.00 0.00 63.50 61.46 1ogf n PRO 119 Cb 0.52 -2.03 -0.08 0.00 -0.02 0.00 0.00 33.50 31.89 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 3.68 -0.11 -1.43 6.00 4.02 -1.26 -4.54 117.16 123.51 1ogf n TYR 120 Ca 0.22 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.70 1ogf n TYR 120 Cb 0.15 -3.36 -0.03 0.00 -0.02 0.00 0.00 39.34 36.09 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 1.07 4.71 -2.60 -0.72 0.00 -0.98 -4.61 120.51 117.38 1ogf n ALA 121 Ca -0.20 -3.55 -0.10 0.00 0.00 0.00 0.00 53.44 49.58 1ogf n ALA 121 Cb 0.65 -3.55 -0.11 0.00 0.00 0.00 0.00 19.45 16.44 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 3.89 0.70 0.12 0.00 -0.87 -1.26 -2.31 114.94 115.21 1ogf s ASN 122 Ca 0.52 -0.72 -0.23 0.00 -1.57 0.00 0.00 52.86 50.86 1ogf s ASN 122 Cb 0.14 0.09 0.06 0.00 -0.02 0.00 0.00 41.25 41.53 1ogf s ASN 122 CO -0.00 -0.36 0.57 0.00 -2.57 0.00 0.00 177.10 174.74 1ogf s ILE 124 N -3.39 2.58 -0.25 0.00 1.01 0.16 -1.48 121.20 119.82 1ogf s ILE 124 Ca -0.00 -0.79 -0.12 0.00 0.00 0.00 0.00 60.65 59.73 1ogf s ILE 124 Cb -0.00 -2.09 -0.05 0.00 0.01 0.00 0.00 42.46 40.33 1ogf s ILE 124 CO -0.10 0.52 0.23 -0.76 0.00 0.00 0.00 174.94 174.83 1ogf s LEU 125 N 0.91 4.08 -0.39 2.97 1.43 -0.07 -1.57 118.68 126.05 1ogf s LEU 125 Ca -0.04 0.15 -0.12 0.00 -1.03 0.00 0.00 54.13 53.10 1ogf s LEU 125 Cb -0.15 -2.20 0.04 0.00 0.03 0.00 0.00 46.19 43.90 1ogf s LEU 125 CO -0.02 -0.02 0.25 -1.58 0.23 0.00 0.00 176.35 175.21 1ogf s GLN 126 N 1.42 2.83 0.21 1.70 0.74 -0.33 -1.73 119.66 124.50 1ogf s GLN 126 Ca 0.10 -1.14 -0.32 0.00 0.05 0.00 0.00 55.36 54.05 1ogf s GLN 126 Cb -0.15 -3.82 -0.15 0.00 1.10 0.00 0.00 33.01 30.00 1ogf s GLN 126 CO 0.07 -0.77 1.21 0.00 -0.55 0.00 0.00 175.29 175.26 1ogf n ALA 127 N 5.04 -0.13 -1.95 1.58 0.00 -0.20 -0.67 120.51 124.17 1ogf n ALA 127 Ca -0.11 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.76 1ogf n ALA 127 Cb 0.46 -2.10 0.00 0.00 0.00 0.00 0.00 19.45 17.81 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 1.92 1.83 3.23 0.00 0.00 0.40 -0.95 105.19 111.61 1ogf n GLY 128 Ca 0.13 -1.95 -0.20 0.00 0.00 0.00 0.00 46.02 44.00 1ogf n GLY 128 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ogf s VAL 129 N 2.41 1.38 -2.26 1.61 1.01 -1.26 -4.27 120.40 119.01 1ogf s VAL 129 Ca 0.00 -1.47 0.20 0.00 0.00 0.00 0.00 61.98 60.71 1ogf s VAL 129 Cb 0.00 -1.34 0.43 0.00 0.00 0.00 0.00 36.38 35.48 1ogf s VAL 129 CO 0.00 -0.20 1.47 0.18 0.00 0.00 0.00 175.10 176.55 1ogf n LEU 130 N 1.07 2.18 0.00 3.92 4.77 -1.26 -5.08 117.00 122.59 1ogf n LEU 130 Ca -0.19 -0.96 0.00 0.00 -0.03 0.00 0.00 56.01 54.83 1ogf n LEU 130 Cb 0.54 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 1ogf n LEU 130 CO 0.23 0.48 0.00 2.22 -1.33 0.00 0.00 177.39 178.99