#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 4.46 -0.05 0.03 2.20 -1.26 -4.96 119.74 120.16 1ogf s LYS 2 Ca 0.00 1.89 -0.15 0.00 -0.36 0.00 0.00 55.97 57.34 1ogf s LYS 2 Cb 0.00 -3.26 -0.31 0.00 -1.51 0.00 0.00 37.83 32.75 1ogf s LYS 2 CO 0.00 -0.16 0.75 0.87 -0.36 0.00 0.00 175.35 176.45 1ogf h LYS 3 N 5.68 0.38 -5.32 4.03 1.57 -2.05 -3.48 116.57 117.38 1ogf h LYS 3 Ca -0.44 -0.64 -0.66 0.00 -1.87 0.00 0.00 60.65 57.04 1ogf h LYS 3 Cb 1.21 0.24 -0.11 0.00 0.08 0.00 0.00 32.23 33.65 1ogf h LYS 3 CO 0.77 1.31 -0.45 -1.01 -0.57 0.00 0.00 179.45 179.50 1ogf s HIS 4 N -2.53 1.69 0.02 -1.35 3.76 -1.26 -5.09 115.29 110.52 1ogf s HIS 4 Ca -0.15 -0.97 0.00 0.00 -0.15 0.00 0.00 55.06 53.79 1ogf s HIS 4 Cb 0.04 -1.66 0.00 0.00 1.11 0.00 0.00 32.58 32.07 1ogf s HIS 4 CO 0.85 0.01 0.00 0.41 -0.85 0.00 0.00 174.74 175.16 1ogf n GLY 5 N -1.44 -1.37 3.76 -2.22 0.00 -1.26 -4.90 105.19 97.75 1ogf n GLY 5 Ca -0.17 -1.52 -0.40 0.00 0.00 0.00 0.00 46.02 43.94 1ogf n GLY 5 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1ogf n ILE 6 N -1.32 2.97 -0.03 -0.61 3.06 -1.26 -4.94 119.36 117.24 1ogf n ILE 6 Ca 0.00 -0.50 -0.10 0.00 -2.50 0.00 0.00 62.75 59.65 1ogf n ILE 6 Cb 0.04 -1.80 0.05 0.00 0.54 0.00 0.00 39.64 38.47 1ogf n ILE 6 CO 0.00 0.00 0.00 0.25 -2.50 0.00 0.00 176.55 174.30 1ogf h LEU 7 N 2.13 0.70 -9.29 9.51 5.85 -2.00 -3.45 115.31 118.76 1ogf h LEU 7 Ca -0.51 -0.35 -0.55 0.00 0.84 0.00 0.00 57.88 57.32 1ogf h LEU 7 Cb 1.28 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 42.10 1ogf h LEU 7 CO 0.60 1.07 0.98 0.21 -0.34 0.00 0.00 178.44 180.96 1ogf s ASN 8 N -6.89 6.76 0.11 1.25 3.84 -1.26 -4.93 114.94 113.82 1ogf s ASN 8 Ca -0.08 2.13 -0.21 0.00 0.21 0.00 0.00 52.86 54.91 1ogf s ASN 8 Cb 0.11 -2.54 -0.09 0.00 -0.55 0.00 0.00 41.25 38.18 1ogf s ASN 8 CO 0.85 -0.84 1.74 0.77 -2.79 0.00 0.00 177.10 176.83 1ogf h SER 9 N 8.73 0.03 -0.42 -4.21 4.64 -1.99 0.19 113.55 120.52 1ogf h SER 9 Ca -0.37 0.01 0.03 0.00 -0.47 0.00 0.00 61.79 61.00 1ogf h SER 9 Cb 1.17 0.01 -0.03 0.00 -0.31 0.00 0.00 62.40 63.23 1ogf h SER 9 CO 0.94 0.04 0.22 0.45 -0.87 0.00 0.00 176.83 177.60 1ogf h HIS 10 N 0.09 0.40 -0.71 4.77 3.86 -1.99 -2.25 115.15 119.31 1ogf h HIS 10 Ca 0.05 0.02 -0.06 0.00 -1.16 0.00 0.00 60.37 59.22 1ogf h HIS 10 Cb 0.03 -0.12 -0.03 0.00 1.06 0.00 0.00 27.41 28.36 1ogf h HIS 10 CO -0.11 0.21 0.21 -0.07 0.86 0.00 0.00 177.93 179.03 1ogf h LEU 11 N 0.44 1.04 -0.30 2.43 3.38 -1.89 -2.89 115.31 117.52 1ogf h LEU 11 Ca 0.18 -0.21 0.05 0.00 0.09 0.00 0.00 57.88 57.99 1ogf h LEU 11 Cb 0.08 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.51 1ogf h LEU 11 CO -0.12 0.98 0.02 0.00 0.09 0.00 0.00 178.44 179.41 1ogf h ALA 12 N 1.10 0.29 -0.85 1.53 0.00 -0.16 -0.12 119.26 121.05 1ogf h ALA 12 Ca 0.23 0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.26 1ogf h ALA 12 Cb 0.32 0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.18 1ogf h ALA 12 CO -0.01 -0.39 0.56 0.87 0.00 0.00 0.00 179.25 180.28 1ogf h LYS 13 N 0.11 0.99 0.01 0.00 1.57 -1.29 0.11 116.57 118.06 1ogf h LYS 13 Ca 0.15 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1ogf h LYS 13 Cb 0.18 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.27 1ogf h LYS 13 CO -0.23 0.65 -0.00 0.82 -0.57 0.00 0.00 179.45 180.12 1ogf h ILE 14 N 1.01 1.29 -0.96 1.86 2.04 -1.11 -3.08 117.51 118.56 1ogf h ILE 14 Ca 0.35 -0.87 0.00 0.00 1.00 0.00 0.00 64.86 65.34 1ogf h ILE 14 Cb 0.10 1.87 -0.05 0.00 -0.74 0.00 0.00 36.82 38.00 1ogf h ILE 14 CO -0.11 0.22 0.61 -0.07 0.00 0.00 0.00 178.15 178.81 1ogf h LEU 15 N -0.38 1.13 -1.57 1.44 3.38 -0.69 -2.47 115.31 116.14 1ogf h LEU 15 Ca -0.00 -0.05 0.17 0.00 0.09 0.00 0.00 57.88 58.09 1ogf h LEU 15 Cb 0.37 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.79 1ogf h LEU 15 CO 0.00 0.84 0.53 0.00 0.09 0.00 0.00 178.44 179.90 1ogf h ALA 16 N 1.36 2.16 -0.01 1.53 0.00 -0.71 -1.10 119.26 122.50 1ogf h ALA 16 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.26 1ogf h ALA 16 Cb -0.11 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1ogf h ALA 16 CO -0.07 -0.39 -0.43 -0.25 0.00 0.00 0.00 179.25 178.12 1ogf n ASP 17 N -4.48 1.02 -4.68 0.00 8.00 -0.94 -4.95 116.55 110.52 1ogf n ASP 17 Ca 0.16 -0.82 -0.46 0.00 0.71 0.00 0.00 54.79 54.38 1ogf n ASP 17 Cb 0.59 0.30 -0.04 0.00 -0.02 0.00 0.00 41.12 41.94 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 -0.87 3.43 -4.58 0.64 4.77 -0.42 -4.99 117.00 114.99 1ogf n LEU 18 Ca 0.09 1.02 -0.24 0.00 -0.03 0.00 0.00 56.01 56.85 1ogf n LEU 18 Cb 0.36 -1.44 -0.09 0.00 -2.33 0.00 0.00 43.42 39.93 1ogf n LEU 18 CO 0.30 -0.10 -0.39 -0.83 -1.33 0.00 0.00 177.39 175.04 1ogf s GLY 19 N 2.37 1.73 -0.12 -0.72 0.00 -1.26 -5.03 107.32 104.29 1ogf s GLY 19 Ca 0.84 -1.67 -0.38 0.00 0.00 0.00 0.00 44.72 43.51 1ogf s GLY 19 CO 0.42 -1.73 1.62 1.57 0.00 0.00 0.00 173.10 174.97 1ogf n HIS 20 N -0.59 1.91 -0.46 1.90 -0.00 -1.26 -1.07 115.22 115.66 1ogf n HIS 20 Ca -0.07 0.50 0.00 0.00 0.46 0.00 0.00 57.72 58.61 1ogf n HIS 20 Cb 0.58 -2.44 0.00 0.00 -0.12 0.00 0.00 29.99 28.01 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 3.90 0.00 -1.48 3.57 -2.24 0.16 -4.99 114.28 113.20 1ogf n THR 21 Ca 0.23 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.68 1ogf n THR 21 Cb 0.17 0.00 0.08 0.00 -2.10 0.00 0.00 70.33 68.48 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 -3.06 4.53 0.03 3.42 1.01 -0.23 -4.49 116.67 117.88 1ogf s ASP 22 Ca 0.00 2.09 0.05 0.00 0.71 0.00 0.00 52.55 55.40 1ogf s ASP 22 Cb 0.00 -2.56 -0.02 0.00 1.01 0.00 0.00 42.92 41.35 1ogf s ASP 22 CO 0.00 -2.02 -0.15 -0.54 0.21 0.00 0.00 175.17 172.67 1ogf s LYS 23 N -4.22 1.03 0.16 8.23 1.02 -1.26 -0.12 119.74 124.57 1ogf s LYS 23 Ca 0.68 -0.72 0.06 0.00 0.02 0.00 0.00 55.97 56.00 1ogf s LYS 23 Cb -0.23 -1.04 -0.04 0.00 -0.52 0.00 0.00 37.83 36.00 1ogf s LYS 23 CO 0.46 0.27 -0.12 0.96 -0.92 0.00 0.00 175.35 176.00 1ogf s ILE 24 N -0.73 1.34 0.05 2.17 -4.36 -0.97 0.24 121.20 118.94 1ogf s ILE 24 Ca 0.03 -2.02 0.09 0.00 -0.26 0.00 0.00 60.65 58.49 1ogf s ILE 24 Cb -0.07 -1.82 -0.03 0.00 1.25 0.00 0.00 42.46 41.79 1ogf s ILE 24 CO 0.01 -0.64 -0.26 -0.69 0.24 0.00 0.00 174.94 173.60 1ogf s VAL 25 N -2.98 2.20 -0.19 8.37 1.01 -0.03 -1.39 120.40 127.39 1ogf s VAL 25 Ca 0.16 -1.40 -0.01 0.00 0.00 0.00 0.00 61.98 60.74 1ogf s VAL 25 Cb 0.00 -1.87 0.00 0.00 0.00 0.00 0.00 36.38 34.52 1ogf s VAL 25 CO 0.03 0.35 -0.13 -0.63 0.00 0.00 0.00 175.10 174.71 1ogf s ILE 26 N -0.83 2.67 0.24 2.22 1.01 -0.29 -0.25 121.20 125.96 1ogf s ILE 26 Ca 0.12 -0.74 0.08 0.00 0.00 0.00 0.00 60.65 60.11 1ogf s ILE 26 Cb -0.10 -2.16 -0.05 0.00 0.01 0.00 0.00 42.46 40.16 1ogf s ILE 26 CO 0.03 0.49 -0.12 0.00 0.00 0.00 0.00 174.94 175.34 1ogf s ALA 27 N 1.23 2.24 0.74 9.38 0.00 0.41 -1.32 121.76 134.45 1ogf s ALA 27 Ca 0.03 -1.79 -0.06 0.00 0.00 0.00 0.00 51.96 50.14 1ogf s ALA 27 Cb -0.14 0.00 0.10 0.00 0.00 0.00 0.00 23.12 23.09 1ogf s ALA 27 CO -0.06 0.04 1.04 0.16 0.00 0.00 0.00 175.76 176.93 1ogf s ASP 28 N -3.39 4.40 0.00 0.00 3.84 -1.09 -1.32 116.67 119.10 1ogf s ASP 28 Ca 0.26 0.11 0.06 0.00 -0.00 0.00 0.00 52.55 52.98 1ogf s ASP 28 Cb 0.01 -0.59 0.30 0.00 -1.38 0.00 0.00 42.92 41.26 1ogf s ASP 28 CO 0.10 -1.85 1.03 0.00 -0.00 0.00 0.00 175.17 174.46 1ogf n ALA 29 N -2.99 1.47 0.40 2.11 0.00 -0.75 -2.96 120.51 117.79 1ogf n ALA 29 Ca 0.12 -0.03 0.05 0.00 0.00 0.00 0.00 53.44 53.57 1ogf n ALA 29 Cb 0.60 -1.10 -0.06 0.00 0.00 0.00 0.00 19.45 18.90 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 -0.77 0.02 3.70 0.00 0.00 -1.26 -5.01 105.19 101.86 1ogf n GLY 30 Ca 0.03 -0.27 -0.42 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.61 4.37 0.43 0.99 2.96 -1.16 -4.97 118.68 118.70 1ogf s LEU 31 Ca 0.03 2.57 -0.23 0.00 -0.22 0.00 0.00 54.13 56.28 1ogf s LEU 31 Cb 0.07 -3.58 -0.08 0.00 0.50 0.00 0.00 46.19 43.10 1ogf s LEU 31 CO 0.40 -0.88 1.09 -2.16 -1.32 0.00 0.00 176.35 173.48 1ogf s PRO 32 N 2.06 3.98 -0.26 0.98 0.04 -1.26 -4.98 135.00 135.55 1ogf s PRO 32 Ca 0.73 1.58 -0.08 0.00 0.04 0.00 0.00 61.00 63.26 1ogf s PRO 32 Cb -0.42 -2.43 -0.03 0.00 0.04 0.00 0.00 34.50 31.65 1ogf s PRO 32 CO 0.32 -0.32 0.11 0.08 0.04 0.00 0.00 177.00 177.23 1ogf s VAL 33 N -1.66 4.59 0.51 -0.36 1.01 -1.26 -5.07 120.40 118.15 1ogf s VAL 33 Ca 0.61 -0.11 -0.22 0.00 0.00 0.00 0.00 61.98 62.27 1ogf s VAL 33 Cb -0.23 -3.17 -0.07 0.00 0.00 0.00 0.00 36.38 32.90 1ogf s VAL 33 CO 0.29 0.29 1.04 -2.65 0.00 0.00 0.00 175.10 174.07 1ogf n PRO 34 N 4.96 1.24 -1.73 2.72 -0.02 -1.26 -4.88 135.00 136.04 1ogf n PRO 34 Ca -0.15 0.46 -0.42 0.00 -2.02 0.00 0.00 63.50 61.37 1ogf n PRO 34 Cb 0.51 -2.18 -0.02 0.00 -0.02 0.00 0.00 33.50 31.79 1ogf n PRO 34 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1ogf n ASP 35 N -0.21 3.98 0.00 2.55 8.00 -1.26 -2.22 116.55 127.39 1ogf n ASP 35 Ca 0.11 1.09 0.00 0.00 0.71 0.00 0.00 54.79 56.70 1ogf n ASP 35 Cb 0.43 -1.59 0.00 0.00 -0.02 0.00 0.00 41.12 39.95 1ogf n ASP 35 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ogf n GLY 36 N 3.27 1.14 3.62 0.44 0.00 -1.26 -5.04 105.19 107.36 1ogf n GLY 36 Ca 0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.29 5.13 0.09 1.61 1.01 -0.94 -5.02 120.40 119.99 1ogf s VAL 37 Ca 0.00 0.74 -0.34 0.00 0.00 0.00 0.00 61.98 62.38 1ogf s VAL 37 Cb 0.00 -3.76 -0.14 0.00 0.00 0.00 0.00 36.38 32.48 1ogf s VAL 37 CO 0.00 0.14 1.63 -0.11 0.00 0.00 0.00 175.10 176.76 1ogf n LEU 38 N 5.24 3.03 -4.43 3.92 7.94 -1.26 -4.79 117.00 126.65 1ogf n LEU 38 Ca -0.06 1.06 -0.36 0.00 -1.11 0.00 0.00 56.01 55.54 1ogf n LEU 38 Cb 0.50 -1.39 -0.13 0.00 0.53 0.00 0.00 43.42 42.94 1ogf n LEU 38 CO 0.39 -0.31 -0.31 -0.75 -1.11 0.00 0.00 177.39 175.31 1ogf s LYS 39 N 1.63 3.62 -0.36 1.96 2.20 -1.26 -1.17 119.74 126.35 1ogf s LYS 39 Ca 0.83 -0.50 -0.02 0.00 -0.36 0.00 0.00 55.97 55.91 1ogf s LYS 39 Cb -0.71 -3.22 0.08 0.00 -1.51 0.00 0.00 37.83 32.47 1ogf s LYS 39 CO 0.42 -0.13 0.11 0.42 -0.36 0.00 0.00 175.35 175.82 1ogf s ILE 40 N 1.41 3.15 -0.38 5.43 1.01 -0.28 -4.98 121.20 126.56 1ogf s ILE 40 Ca 0.05 -1.76 -0.20 0.00 0.00 0.00 0.00 60.65 58.74 1ogf s ILE 40 Cb -0.15 -3.01 0.01 0.00 0.01 0.00 0.00 42.46 39.32 1ogf s ILE 40 CO 0.02 -0.43 0.62 -0.62 0.00 0.00 0.00 174.94 174.53 1ogf s ASP 41 N 1.53 6.39 0.00 3.58 -1.08 -1.26 -0.82 116.67 125.00 1ogf s ASP 41 Ca 0.03 0.00 0.22 0.00 -0.52 0.00 0.00 52.55 52.28 1ogf s ASP 41 Cb -0.21 -2.32 -0.06 0.00 -1.46 0.00 0.00 42.92 38.87 1ogf s ASP 41 CO -0.03 -0.63 1.03 0.18 0.52 0.00 0.00 175.17 176.25 1ogf n LEU 42 N 6.06 1.79 -4.73 -1.34 4.77 0.77 -4.93 117.00 119.39 1ogf n LEU 42 Ca -0.02 -0.70 -0.41 0.00 -0.03 0.00 0.00 56.01 54.85 1ogf n LEU 42 Cb 0.48 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 1ogf n LEU 42 CO 0.50 0.35 0.98 -1.54 -1.33 0.00 0.00 177.39 176.35 1ogf n SER 43 N -0.34 3.05 -0.03 -1.43 3.41 -1.16 -4.37 113.62 112.76 1ogf n SER 43 Ca 0.08 1.17 -0.04 0.00 -0.26 0.00 0.00 58.87 59.82 1ogf n SER 43 Cb 0.43 -1.54 -0.02 0.00 -0.26 0.00 0.00 64.21 62.81 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 0.37 2.42 -3.55 1.04 0.00 0.10 -4.92 117.00 112.47 1ogf n LEU 44 Ca 0.04 -0.01 -0.07 0.00 0.00 0.00 0.00 56.01 55.98 1ogf n LEU 44 Cb 0.39 -0.19 -0.02 0.00 0.00 0.00 0.00 43.42 43.60 1ogf n LEU 44 CO 0.61 0.49 0.75 -1.59 0.00 0.00 0.00 177.39 177.65 1ogf s LYS 45 N -2.11 0.78 -0.44 1.96 -2.85 -1.09 -5.05 119.74 110.94 1ogf s LYS 45 Ca -0.08 -0.31 -0.40 0.00 -1.00 0.00 0.00 55.97 54.18 1ogf s LYS 45 Cb 0.02 0.34 -0.17 0.00 -2.06 0.00 0.00 37.83 35.96 1ogf s LYS 45 CO 0.12 -0.34 1.65 -2.30 0.10 0.00 0.00 175.35 174.58 1ogf n PRO 46 N -0.26 0.00 0.00 1.78 -0.02 -1.26 -0.23 135.00 135.01 1ogf n PRO 46 Ca -0.07 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.41 1ogf n PRO 46 Cb 0.61 -1.33 0.00 0.00 -0.02 0.00 0.00 33.50 32.76 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 5.08 2.06 3.06 -1.23 0.00 0.29 -4.96 105.19 109.48 1ogf n GLY 47 Ca 0.38 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.13 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 1.71 0.52 0.99 1.43 0.68 -2.71 118.68 121.30 1ogf s LEU 48 Ca 0.00 -0.37 -0.16 0.00 -1.03 0.00 0.00 54.13 52.57 1ogf s LEU 48 Cb 0.00 -0.98 -0.08 0.00 0.03 0.00 0.00 46.19 45.16 1ogf s LEU 48 CO 0.00 0.04 0.99 -2.16 0.23 0.00 0.00 176.35 175.45 1ogf s PRO 49 N 0.74 3.93 0.47 1.29 0.04 -1.26 -0.72 135.00 139.48 1ogf s PRO 49 Ca -0.13 0.94 -0.21 0.00 0.04 0.00 0.00 61.00 61.64 1ogf s PRO 49 Cb -0.16 -2.13 -0.08 0.00 0.04 0.00 0.00 34.50 32.17 1ogf s PRO 49 CO 0.03 -0.29 1.06 0.00 0.04 0.00 0.00 177.00 177.84 1ogf s ALA 50 N -2.66 2.92 0.21 8.56 0.00 -1.10 -0.82 121.76 128.87 1ogf s ALA 50 Ca 0.59 0.68 -0.09 0.00 0.00 0.00 0.00 51.96 53.14 1ogf s ALA 50 Cb -0.10 -3.28 0.30 0.00 0.00 0.00 0.00 23.12 20.04 1ogf s ALA 50 CO 0.33 -0.36 1.76 0.35 0.00 0.00 0.00 175.76 177.84 1ogf h PHE 51 N 1.81 0.48 0.15 0.00 3.57 -1.93 -1.79 116.94 119.23 1ogf h PHE 51 Ca -0.49 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.03 1ogf h PHE 51 Cb 1.22 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 39.85 1ogf h PHE 51 CO 0.56 0.14 -0.07 1.96 -2.23 0.00 0.00 178.31 178.68 1ogf h GLN 52 N 0.48 -0.19 -0.48 1.11 4.20 -1.97 -0.29 115.11 117.97 1ogf h GLN 52 Ca 0.32 0.01 0.04 0.00 0.06 0.00 0.00 58.65 59.09 1ogf h GLN 52 Cb 0.38 0.04 -0.04 0.00 0.30 0.00 0.00 27.48 28.16 1ogf h GLN 52 CO -0.29 -0.11 0.24 -0.44 -0.67 0.00 0.00 178.83 177.56 1ogf h ASP 53 N -0.22 0.34 -0.46 1.46 3.45 -1.87 0.60 116.42 119.73 1ogf h ASP 53 Ca -0.02 0.03 -0.02 0.00 0.43 0.00 0.00 57.03 57.45 1ogf h ASP 53 Cb 0.17 -0.04 -0.02 0.00 -0.56 0.00 0.00 39.33 38.88 1ogf h ASP 53 CO 0.03 0.24 0.20 0.74 -1.57 0.00 0.00 179.24 178.89 1ogf h THR 54 N 0.47 1.20 -0.31 0.35 2.02 -1.25 -2.06 112.91 113.32 1ogf h THR 54 Ca 0.21 -0.58 -0.03 0.00 0.77 0.00 0.00 66.41 66.78 1ogf h THR 54 Cb 0.12 0.72 -0.02 0.00 -1.74 0.00 0.00 68.15 67.24 1ogf h THR 54 CO -0.15 0.22 0.06 0.00 0.37 0.00 0.00 175.52 176.02 1ogf h ALA 55 N 1.05 1.53 -0.12 6.16 0.00 -0.55 -2.13 119.26 125.20 1ogf h ALA 55 Ca 0.16 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1ogf h ALA 55 Cb 0.16 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1ogf h ALA 55 CO -0.02 0.35 -0.05 0.00 0.00 0.00 0.00 179.25 179.53 1ogf h ALA 56 N 1.63 0.17 -0.66 0.00 0.00 -0.43 -2.08 119.26 117.89 1ogf h ALA 56 Ca 0.11 -0.25 0.02 0.00 0.00 0.00 0.00 54.91 54.78 1ogf h ALA 56 Cb 0.20 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 1ogf h ALA 56 CO -0.00 -0.06 0.42 0.28 0.00 0.00 0.00 179.25 179.90 1ogf h VAL 57 N -0.10 1.13 -0.08 0.00 2.07 -1.17 -1.73 116.25 116.37 1ogf h VAL 57 Ca 0.03 -0.29 -0.08 0.00 0.82 0.00 0.00 66.70 67.18 1ogf h VAL 57 Cb 0.51 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 1ogf h VAL 57 CO 0.02 0.15 -0.30 -0.07 0.02 0.00 0.00 177.57 177.39 1ogf h LEU 58 N 0.85 0.14 -1.03 2.57 -0.00 -1.38 -2.01 115.31 114.44 1ogf h LEU 58 Ca 0.25 -0.04 -0.10 0.00 -0.00 0.00 0.00 57.88 57.99 1ogf h LEU 58 Cb -0.04 -0.04 -0.01 0.00 -0.00 0.00 0.00 40.66 40.57 1ogf h LEU 58 CO -0.08 0.44 -0.45 0.00 -0.00 0.00 0.00 178.44 178.35 1ogf h ALA 59 N 1.57 1.20 0.00 1.53 0.00 -0.72 0.23 119.26 123.08 1ogf h ALA 59 Ca 0.02 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 54.49 1ogf h ALA 59 Cb 0.60 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 1ogf h ALA 59 CO 0.04 0.58 -0.22 1.49 0.00 0.00 0.00 179.25 181.15 1ogf h GLU 60 N 0.05 0.00 -0.00 0.00 4.57 -0.74 -3.36 114.58 115.11 1ogf h GLU 60 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1ogf h GLU 60 Cb 0.83 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.42 1ogf h GLU 60 CO 0.06 0.09 -0.32 0.39 -1.18 0.00 0.00 179.01 178.05 1ogf n GLU 61 N -3.07 3.62 -4.61 1.92 -0.58 -0.81 -5.01 120.64 112.09 1ogf n GLU 61 Ca 0.03 -0.18 -0.22 0.00 -0.42 0.00 0.00 57.16 56.37 1ogf n GLU 61 Cb 0.57 -0.94 -0.15 0.00 -0.57 0.00 0.00 31.44 30.36 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 -1.60 1.09 -0.55 3.49 1.75 0.05 -4.94 119.30 118.58 1ogf s MET 62 Ca 0.04 -0.48 -0.25 0.00 -1.25 0.00 0.00 55.69 53.75 1ogf s MET 62 Cb 0.06 -1.05 0.04 0.00 2.84 0.00 0.00 34.83 36.72 1ogf s MET 62 CO 0.30 0.29 0.99 0.00 -0.65 0.00 0.00 175.02 175.95 1ogf s ALA 63 N -0.32 3.13 -0.22 4.11 0.00 -1.26 -4.67 121.76 122.52 1ogf s ALA 63 Ca 0.05 -1.12 -0.11 0.00 0.00 0.00 0.00 51.96 50.78 1ogf s ALA 63 Cb -0.05 -3.79 -0.05 0.00 0.00 0.00 0.00 23.12 19.23 1ogf s ALA 63 CO -0.00 -2.42 0.16 0.08 0.00 0.00 0.00 175.76 173.58 1ogf s VAL 64 N 4.14 5.37 -0.90 0.00 1.01 -1.26 0.29 120.40 129.04 1ogf s VAL 64 Ca 0.33 0.21 0.15 0.00 0.00 0.00 0.00 61.98 62.67 1ogf s VAL 64 Cb -0.11 -3.50 -0.11 0.00 0.00 0.00 0.00 36.38 32.65 1ogf s VAL 64 CO 0.21 0.37 0.68 -1.84 0.00 0.00 0.00 175.10 174.52 1ogf n GLU 65 N 4.05 2.04 -3.58 2.72 0.28 -0.38 -4.77 120.64 121.01 1ogf n GLU 65 Ca -0.15 -0.23 -0.14 0.00 -0.16 0.00 0.00 57.16 56.48 1ogf n GLU 65 Cb 0.52 -1.21 -0.06 0.00 1.43 0.00 0.00 31.44 32.12 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 -2.22 0.81 -0.03 3.44 2.20 -1.21 -3.75 119.74 118.98 1ogf s LYS 66 Ca 0.08 0.45 0.05 0.00 -0.36 0.00 0.00 55.97 56.18 1ogf s LYS 66 Cb 0.11 0.39 -0.01 0.00 -1.51 0.00 0.00 37.83 36.81 1ogf s LYS 66 CO 0.54 -0.20 -0.16 0.08 -0.36 0.00 0.00 175.35 175.25 1ogf s VAL 67 N -0.60 1.31 -0.03 4.02 1.01 0.96 -0.80 120.40 126.28 1ogf s VAL 67 Ca -0.04 -0.68 0.05 0.00 0.00 0.00 0.00 61.98 61.31 1ogf s VAL 67 Cb -0.02 -1.11 -0.01 0.00 0.00 0.00 0.00 36.38 35.24 1ogf s VAL 67 CO 0.03 0.38 -0.17 -0.63 0.00 0.00 0.00 175.10 174.71 1ogf s ILE 68 N -0.16 1.40 0.16 2.22 1.01 0.21 -0.75 121.20 125.30 1ogf s ILE 68 Ca 0.01 -0.73 -0.09 0.00 0.00 0.00 0.00 60.65 59.83 1ogf s ILE 68 Cb -0.09 -1.18 -0.01 0.00 0.01 0.00 0.00 42.46 41.19 1ogf s ILE 68 CO 0.01 0.40 0.29 0.00 0.00 0.00 0.00 174.94 175.64 1ogf s ALA 69 N -0.21 -0.08 0.10 9.38 0.00 -0.48 -0.16 121.76 130.31 1ogf s ALA 69 Ca 0.02 -0.82 -0.24 0.00 0.00 0.00 0.00 51.96 50.93 1ogf s ALA 69 Cb -0.09 0.83 -0.07 0.00 0.00 0.00 0.00 23.12 23.79 1ogf s ALA 69 CO 0.01 -0.65 0.72 0.00 0.00 0.00 0.00 175.76 175.84 1ogf s ALA 70 N -3.95 3.46 0.54 0.00 0.00 -1.26 -1.05 121.76 119.50 1ogf s ALA 70 Ca 0.16 0.25 0.21 0.00 0.00 0.00 0.00 51.96 52.58 1ogf s ALA 70 Cb 0.03 -2.89 1.41 0.00 0.00 0.00 0.00 23.12 21.67 1ogf s ALA 70 CO -0.01 0.25 2.12 0.00 0.00 0.00 0.00 175.76 178.11 1ogf h ALA 71 N 4.81 2.04 0.00 0.00 0.00 -0.77 -1.43 119.26 123.90 1ogf h ALA 71 Ca -0.47 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1ogf h ALA 71 Cb 1.21 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1ogf h ALA 71 CO 0.67 -0.19 0.05 0.93 0.00 0.00 0.00 179.25 180.71 1ogf h GLU 72 N 0.00 0.00 0.00 0.00 3.07 -1.93 -0.98 114.58 114.74 1ogf h GLU 72 Ca 0.07 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 58.88 1ogf h GLU 72 Cb 0.29 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.20 1ogf h GLU 72 CO -0.00 0.00 -0.21 0.97 -1.40 0.00 0.00 179.01 178.37 1ogf h ILE 73 N 0.00 0.58 0.00 3.13 2.10 -1.51 -2.57 117.51 119.23 1ogf h ILE 73 Ca 0.00 -1.00 -0.07 0.00 1.08 0.00 0.00 64.86 64.87 1ogf h ILE 73 Cb 0.10 1.67 -0.01 0.00 -1.09 0.00 0.00 36.82 37.49 1ogf h ILE 73 CO 0.00 0.21 -0.32 0.11 -1.08 0.00 0.00 178.15 177.07 1ogf h LYS 74 N 0.00 0.00 0.00 2.19 1.57 -1.37 -1.93 116.57 117.03 1ogf h LYS 74 Ca -0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1ogf h LYS 74 Cb 0.66 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.97 1ogf h LYS 74 CO 0.03 0.32 -0.01 0.00 -0.57 0.00 0.00 179.45 179.21 1ogf h ALA 75 N 1.68 0.00 0.00 3.86 0.00 -1.57 -3.39 119.26 119.84 1ogf h ALA 75 Ca -0.00 -0.47 -0.35 0.00 0.00 0.00 0.00 54.91 54.09 1ogf h ALA 75 Cb 1.14 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.87 1ogf h ALA 75 CO 0.04 0.01 -2.31 0.43 0.00 0.00 0.00 179.25 177.42 1ogf n SER 76 N -4.62 0.35 -3.17 0.00 7.64 -1.11 -4.74 113.62 107.97 1ogf n SER 76 Ca -0.10 -0.00 -0.25 0.00 1.01 0.00 0.00 58.87 59.53 1ogf n SER 76 Cb 0.45 0.93 -0.06 0.00 -1.01 0.00 0.00 64.21 64.52 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 -2.72 3.17 0.08 6.43 4.05 -0.73 -4.89 115.26 120.65 1ogf n ASN 77 Ca -0.31 -3.38 0.07 0.00 0.45 0.00 0.00 54.58 51.40 1ogf n ASN 77 Cb 1.12 -0.62 0.51 0.00 1.23 0.00 0.00 39.78 42.02 1ogf n ASN 77 CO 0.00 0.00 0.00 1.56 -3.05 0.00 0.00 177.26 175.77 1ogf h GLN 78 N 3.52 0.32 0.48 1.20 4.20 -1.74 -1.96 115.11 121.12 1ogf h GLN 78 Ca 0.14 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.82 1ogf h GLN 78 Cb 0.67 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.37 1ogf h GLN 78 CO 0.73 0.21 -0.34 1.49 -0.67 0.00 0.00 178.83 180.26 1ogf h GLU 79 N 0.33 -0.77 0.00 1.46 4.81 -1.90 0.11 114.58 118.62 1ogf h GLU 79 Ca 0.11 0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 59.35 1ogf h GLU 79 Cb 0.04 0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 1ogf h GLU 79 CO -0.02 -0.51 -0.23 -0.91 -0.73 0.00 0.00 179.01 176.61 1ogf h ASN 80 N -0.80 0.00 -0.14 1.04 2.35 -1.87 -1.33 115.58 114.83 1ogf h ASN 80 Ca -0.05 0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 55.51 1ogf h ASN 80 Cb 0.67 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.04 1ogf h ASN 80 CO 0.03 0.23 -0.60 0.00 -1.65 0.00 0.00 177.43 175.44 1ogf h ALA 81 N 1.77 0.52 -0.21 -0.83 0.00 -0.95 -2.30 119.26 117.26 1ogf h ALA 81 Ca -0.00 -0.53 -0.13 0.00 0.00 0.00 0.00 54.91 54.25 1ogf h ALA 81 Cb 0.59 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1ogf h ALA 81 CO 0.03 0.69 -0.37 0.87 0.00 0.00 0.00 179.25 180.47 1ogf h LYS 82 N 0.56 0.62 -0.21 0.00 1.57 -0.38 -2.71 116.57 116.01 1ogf h LYS 82 Ca -0.00 -0.39 0.06 0.00 -1.87 0.00 0.00 60.65 58.45 1ogf h LYS 82 Cb 1.19 0.04 -0.06 0.00 0.08 0.00 0.00 32.23 33.48 1ogf h LYS 82 CO 0.12 1.00 -0.21 0.35 -0.57 0.00 0.00 179.45 180.15 1ogf h PHE 83 N 0.31 -0.54 -0.96 -1.35 3.57 -1.23 -1.44 116.94 115.30 1ogf h PHE 83 Ca 0.01 0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.61 1ogf h PHE 83 Cb 0.96 0.27 -0.06 0.00 2.79 0.00 0.00 35.95 39.91 1ogf h PHE 83 CO 0.09 -0.28 0.61 1.25 -2.23 0.00 0.00 178.31 177.75 1ogf h LEU 84 N -0.22 0.98 -0.49 0.59 5.85 -1.42 0.50 115.31 121.10 1ogf h LEU 84 Ca 0.13 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.82 1ogf h LEU 84 Cb 0.41 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 1ogf h LEU 84 CO -0.34 0.63 0.15 -0.33 -0.34 0.00 0.00 178.44 178.21 1ogf h GLU 85 N 1.12 0.77 -0.05 1.25 4.39 -1.03 -2.39 114.58 118.64 1ogf h GLU 85 Ca 0.41 -0.17 -0.18 0.00 0.34 0.00 0.00 59.36 59.76 1ogf h GLU 85 Cb 0.15 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.68 1ogf h GLU 85 CO -0.17 0.73 -0.75 -0.91 -1.16 0.00 0.00 179.01 176.75 1ogf h ASN 86 N 0.67 0.38 -0.63 1.42 -0.26 -0.84 -3.02 115.58 113.29 1ogf h ASN 86 Ca 0.16 -0.26 -0.07 0.00 -0.56 0.00 0.00 56.30 55.57 1ogf h ASN 86 Cb 0.28 -0.11 -0.03 0.00 -1.06 0.00 0.00 38.32 37.40 1ogf h ASN 86 CO -0.00 1.00 0.13 0.25 -1.06 0.00 0.00 177.43 177.75 1ogf h LEU 87 N 0.21 0.97 -5.41 1.61 5.85 -0.82 -3.16 115.31 114.57 1ogf h LEU 87 Ca -0.03 -0.24 -0.69 0.00 0.84 0.00 0.00 57.88 57.75 1ogf h LEU 87 Cb 1.33 -0.26 -0.34 0.00 0.37 0.00 0.00 40.66 41.76 1ogf h LEU 87 CO 0.12 0.97 0.19 0.49 -0.34 0.00 0.00 178.44 179.87 1ogf n PHE 88 N -4.30 3.34 -0.04 1.25 3.01 -0.91 -4.87 117.46 114.93 1ogf n PHE 88 Ca 0.04 -3.08 -0.10 0.00 1.01 0.00 0.00 57.45 55.32 1ogf n PHE 88 Cb 0.26 -0.77 -0.03 0.00 -0.01 0.00 0.00 39.48 38.93 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 3.31 -1.07 -0.11 4.37 0.02 -1.50 -3.12 113.55 115.44 1ogf h SER 89 Ca 0.37 0.17 -0.17 0.00 -0.84 0.00 0.00 61.79 61.32 1ogf h SER 89 Cb 0.43 0.47 0.01 0.00 0.14 0.00 0.00 62.40 63.45 1ogf h SER 89 CO 1.05 -0.35 -0.59 -0.33 -1.14 0.00 0.00 176.83 175.47 1ogf h GLU 90 N -0.36 0.60 -7.06 3.45 5.08 -1.89 -3.47 114.58 110.93 1ogf h GLU 90 Ca 0.12 -0.49 -0.47 0.00 -1.00 0.00 0.00 59.36 57.52 1ogf h GLU 90 Cb 0.55 0.10 0.22 0.00 0.50 0.00 0.00 28.75 30.12 1ogf h GLU 90 CO -0.43 1.11 -0.17 1.04 -1.00 0.00 0.00 179.01 179.56 1ogf n GLN 91 N -4.15 -1.65 -2.98 2.33 3.00 -1.18 -4.98 117.38 107.78 1ogf n GLN 91 Ca -0.08 -0.44 -0.41 0.00 -0.01 0.00 0.00 57.00 56.06 1ogf n GLN 91 Cb 0.65 -2.12 -0.05 0.00 0.00 0.00 0.00 30.24 28.72 1ogf n GLN 91 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.06 175.06 1ogf s GLU 92 N -4.24 4.35 -0.33 -1.09 2.12 -1.25 -4.95 118.70 113.32 1ogf s GLU 92 Ca 0.65 0.92 -0.03 0.00 0.36 0.00 0.00 54.97 56.87 1ogf s GLU 92 Cb -0.22 -3.52 0.06 0.00 0.26 0.00 0.00 34.13 30.71 1ogf s GLU 92 CO 0.64 -0.15 0.06 0.42 -0.54 0.00 0.00 175.26 175.69 1ogf s ILE 93 N 1.54 3.19 -0.12 -3.70 1.01 -1.26 -0.03 121.20 121.82 1ogf s ILE 93 Ca 0.37 -1.48 -0.03 0.00 0.00 0.00 0.00 60.65 59.51 1ogf s ILE 93 Cb -0.17 -2.90 -0.03 0.00 0.01 0.00 0.00 42.46 39.36 1ogf s ILE 93 CO 0.15 -0.24 -0.02 -0.70 0.00 0.00 0.00 174.94 174.13 1ogf s GLU 94 N 1.25 3.33 -0.12 2.79 2.12 0.07 -5.00 118.70 123.15 1ogf s GLU 94 Ca -0.02 -0.46 -0.03 0.00 0.36 0.00 0.00 54.97 54.82 1ogf s GLU 94 Cb -0.20 -2.86 -0.03 0.00 0.26 0.00 0.00 34.13 31.30 1ogf s GLU 94 CO -0.01 0.47 -0.01 0.71 -0.54 0.00 0.00 175.26 175.88 1ogf s TYR 95 N -0.25 3.09 0.25 5.30 1.51 -1.26 -1.38 117.35 124.62 1ogf s TYR 95 Ca 0.05 -0.02 0.04 0.00 -1.01 0.00 0.00 57.07 56.13 1ogf s TYR 95 Cb -0.12 -1.87 -0.05 0.00 -0.11 0.00 0.00 41.96 39.80 1ogf s TYR 95 CO 0.02 0.23 0.00 -0.51 -1.11 0.00 0.00 175.55 174.19 1ogf s LEU 96 N -0.28 2.21 0.58 -1.29 1.43 -0.22 -4.80 118.68 116.32 1ogf s LEU 96 Ca 0.06 -1.24 -0.19 0.00 -1.03 0.00 0.00 54.13 51.72 1ogf s LEU 96 Cb -0.12 -0.33 -0.04 0.00 0.03 0.00 0.00 46.19 45.73 1ogf s LEU 96 CO 0.02 -0.51 1.19 -0.94 0.23 0.00 0.00 176.35 176.34 1ogf s SER 97 N -3.35 5.32 0.25 2.29 1.04 -1.26 -0.05 113.70 117.94 1ogf s SER 97 Ca 0.30 2.33 -0.04 0.00 0.48 0.00 0.00 55.95 59.02 1ogf s SER 97 Cb 0.06 -2.59 0.48 0.00 0.10 0.00 0.00 66.02 64.07 1ogf s SER 97 CO 0.10 -1.50 1.71 -0.74 0.98 0.00 0.00 173.24 173.79 1ogf h HIS 98 N 0.96 0.44 -0.53 5.02 2.76 -1.92 0.96 115.15 122.83 1ogf h HIS 98 Ca -0.50 0.04 0.09 0.00 -2.20 0.00 0.00 60.37 57.79 1ogf h HIS 98 Cb 1.29 -0.08 -0.07 0.00 1.55 0.00 0.00 27.41 30.10 1ogf h HIS 98 CO 0.48 -0.00 0.15 0.93 -1.30 0.00 0.00 177.93 178.18 1ogf h GLU 99 N 0.37 0.29 -0.29 5.26 4.39 -2.00 0.44 114.58 123.05 1ogf h GLU 99 Ca 0.43 -0.02 -0.12 0.00 0.34 0.00 0.00 59.36 59.99 1ogf h GLU 99 Cb 0.69 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.27 1ogf h GLU 99 CO -0.45 0.19 -0.32 0.93 -1.16 0.00 0.00 179.01 178.20 1ogf h GLU 100 N 0.30 0.61 -0.18 2.33 4.39 -1.47 -2.50 114.58 118.06 1ogf h GLU 100 Ca 0.26 -0.28 0.01 0.00 0.34 0.00 0.00 59.36 59.70 1ogf h GLU 100 Cb 0.34 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.96 1ogf h GLU 100 CO -0.31 0.86 0.10 0.35 -1.16 0.00 0.00 179.01 178.84 1ogf h PHE 101 N 0.52 0.18 -0.70 4.33 3.57 0.15 -1.65 116.94 123.34 1ogf h PHE 101 Ca 0.06 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.58 1ogf h PHE 101 Cb 0.81 -0.05 -0.04 0.00 2.79 0.00 0.00 35.95 39.46 1ogf h PHE 101 CO 0.03 0.11 0.47 0.87 -2.23 0.00 0.00 178.31 177.56 1ogf h LYS 102 N 0.20 0.90 -0.63 1.11 1.57 -0.77 -0.53 116.57 118.42 1ogf h LYS 102 Ca 0.07 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.76 1ogf h LYS 102 Cb 0.01 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.08 1ogf h LYS 102 CO -0.04 0.60 0.23 -0.07 -0.57 0.00 0.00 179.45 179.60 1ogf h LEU 103 N 0.93 0.86 -0.95 2.94 4.07 -0.97 -2.46 115.31 119.74 1ogf h LEU 103 Ca 0.26 -0.13 -0.11 0.00 0.08 0.00 0.00 57.88 57.99 1ogf h LEU 103 Cb -0.06 -0.22 -0.01 0.00 1.08 0.00 0.00 40.66 41.44 1ogf h LEU 103 CO -0.06 0.79 -0.47 0.25 -1.08 0.00 0.00 178.44 177.87 1ogf h LEU 104 N 0.92 0.14 -1.34 1.67 6.46 -0.20 -2.88 115.31 120.08 1ogf h LEU 104 Ca 0.21 -0.07 0.00 0.00 -0.12 0.00 0.00 57.88 57.91 1ogf h LEU 104 Cb 0.21 -0.04 0.00 0.00 -0.73 0.00 0.00 40.66 40.10 1ogf h LEU 104 CO -0.02 0.59 0.00 0.35 -0.62 0.00 0.00 178.44 178.75 1ogf n THR 105 N -3.98 1.01 0.23 1.05 -2.24 -0.68 -1.66 114.28 108.01 1ogf n THR 105 Ca -0.02 0.66 0.10 0.00 -2.27 0.00 0.00 64.05 62.53 1ogf n THR 105 Cb 0.51 -1.65 0.55 0.00 -2.10 0.00 0.00 70.33 67.63 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 -1.59 -2.45 116.57 113.32 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 0.21 -0.37 -0.25 -0.57 0.00 0.00 179.45 178.47 1ogf n ASP 107 N -3.56 0.39 -4.73 0.86 8.00 -0.67 -4.93 116.55 111.91 1ogf n ASP 107 Ca -0.01 -0.01 -0.37 0.00 0.71 0.00 0.00 54.79 55.11 1ogf n ASP 107 Cb 0.36 0.03 0.06 0.00 -0.02 0.00 0.00 41.12 41.55 1ogf n ASP 107 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ogf n ALA 108 N -1.53 1.25 0.19 2.24 0.00 -0.93 -4.71 120.51 117.03 1ogf n ALA 108 Ca 0.06 0.03 0.11 0.00 0.00 0.00 0.00 53.44 53.63 1ogf n ALA 108 Cb 0.35 -2.33 0.13 0.00 0.00 0.00 0.00 19.45 17.59 1ogf n ALA 108 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1ogf h LYS 109 N 0.74 0.00 -1.61 0.00 1.79 -0.54 -3.46 116.57 113.49 1ogf h LYS 109 Ca -0.51 0.00 0.20 0.00 -2.18 0.00 0.00 60.65 58.16 1ogf h LYS 109 Cb 1.33 0.00 -0.19 0.00 -1.58 0.00 0.00 32.23 31.79 1ogf h LYS 109 CO 0.54 0.05 0.73 0.00 -1.08 0.00 0.00 179.45 179.69 1ogf s ALA 110 N -3.20 -2.01 -0.18 3.86 0.00 -1.26 -4.24 121.76 114.72 1ogf s ALA 110 Ca 0.05 1.51 0.01 0.00 0.00 0.00 0.00 51.96 53.53 1ogf s ALA 110 Cb 0.06 -0.20 0.03 0.00 0.00 0.00 0.00 23.12 23.01 1ogf s ALA 110 CO 0.70 -0.55 -0.16 0.08 0.00 0.00 0.00 175.76 175.83 1ogf s VAL 111 N -2.29 1.87 -0.34 0.00 1.01 -0.32 -0.85 120.40 119.47 1ogf s VAL 111 Ca 0.07 -0.91 -0.17 0.00 0.00 0.00 0.00 61.98 60.96 1ogf s VAL 111 Cb -0.01 -1.76 -0.01 0.00 0.00 0.00 0.00 36.38 34.60 1ogf s VAL 111 CO -0.05 0.42 0.48 -0.63 0.00 0.00 0.00 175.10 175.32 1ogf s ILE 112 N 1.35 5.05 -0.21 2.22 1.01 0.65 -1.13 121.20 130.14 1ogf s ILE 112 Ca 0.03 0.34 -0.17 0.00 0.00 0.00 0.00 60.65 60.85 1ogf s ILE 112 Cb -0.14 -3.92 -0.04 0.00 0.01 0.00 0.00 42.46 38.37 1ogf s ILE 112 CO -0.11 -0.16 0.46 -0.60 0.00 0.00 0.00 174.94 174.53 1ogf s ARG 113 N 2.31 4.17 0.38 2.79 3.52 -0.00 -0.45 118.95 131.67 1ogf s ARG 113 Ca 0.18 0.30 0.06 0.00 -0.13 0.00 0.00 55.73 56.13 1ogf s ARG 113 Cb -0.16 -3.56 0.06 0.00 -1.56 0.00 0.00 34.95 29.73 1ogf s ARG 113 CO 0.13 -0.12 0.50 0.25 -0.81 0.00 0.00 175.30 175.25 1ogf n THR 114 N 4.52 0.00 0.18 4.11 -2.24 -0.44 -0.16 114.28 120.25 1ogf n THR 114 Ca -0.06 -1.30 0.12 0.00 -2.27 0.00 0.00 64.05 60.54 1ogf n THR 114 Cb 0.51 -0.62 0.26 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 0.37 1.83 3.68 3.38 0.00 0.00 -3.65 105.19 110.80 1ogf n GLY 115 Ca 0.09 -0.72 -0.50 0.00 0.00 0.00 0.00 46.02 44.89 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 1.43 1.85 -1.34 1.61 4.07 -1.21 0.11 120.64 127.15 1ogf n GLU 116 Ca 0.21 0.68 -0.24 0.00 -0.06 0.00 0.00 57.16 57.74 1ogf n GLU 116 Cb 0.58 -2.45 0.11 0.00 -0.06 0.00 0.00 31.44 29.62 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 5.48 2.61 -4.82 4.31 3.01 -1.26 -1.82 117.46 124.98 1ogf n PHE 117 Ca 0.22 -2.33 -0.28 0.00 1.01 0.00 0.00 57.45 56.08 1ogf n PHE 117 Cb 0.25 -0.91 -0.15 0.00 -0.01 0.00 0.00 39.48 38.66 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 -4.15 1.89 0.19 4.37 -4.23 -1.26 -5.04 115.64 107.41 1ogf s THR 118 Ca 0.56 -1.26 -0.32 0.00 -1.18 0.00 0.00 61.69 59.49 1ogf s THR 118 Cb 0.46 -1.62 -0.16 0.00 1.34 0.00 0.00 72.50 72.52 1ogf s THR 118 CO 0.02 0.31 1.05 -2.65 -0.54 0.00 0.00 174.62 172.82 1ogf n PRO 119 N 1.89 0.99 -3.02 3.99 -0.02 -1.26 -3.20 135.00 134.38 1ogf n PRO 119 Ca -0.17 0.35 -0.16 0.00 -2.02 0.00 0.00 63.50 61.50 1ogf n PRO 119 Cb 0.53 -1.77 -0.01 0.00 -0.02 0.00 0.00 33.50 32.23 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 1.08 -1.69 -2.04 6.00 4.02 -1.26 -4.51 117.16 118.76 1ogf n TYR 120 Ca 0.15 0.25 -0.42 0.00 -0.01 0.00 0.00 57.90 57.86 1ogf n TYR 120 Cb 0.25 -2.25 0.00 0.00 -0.02 0.00 0.00 39.34 37.32 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 -2.97 5.71 -2.50 -0.72 0.00 -1.19 -4.63 120.51 114.21 1ogf n ALA 121 Ca -0.03 -4.10 -0.12 0.00 0.00 0.00 0.00 53.44 49.19 1ogf n ALA 121 Cb 0.54 -3.17 -0.11 0.00 0.00 0.00 0.00 19.45 16.71 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 1.65 1.01 0.05 0.00 -0.87 -1.26 -2.68 114.94 112.84 1ogf s ASN 122 Ca 0.45 -0.79 -0.27 0.00 -1.57 0.00 0.00 52.86 50.69 1ogf s ASN 122 Cb 0.12 0.07 0.08 0.00 -0.02 0.00 0.00 41.25 41.50 1ogf s ASN 122 CO -0.04 -0.34 0.70 0.00 -2.57 0.00 0.00 177.10 174.85 1ogf s ILE 124 N -2.82 3.29 -0.28 0.00 1.01 0.77 -1.14 121.20 122.02 1ogf s ILE 124 Ca -0.01 -0.57 -0.07 0.00 0.00 0.00 0.00 60.65 60.00 1ogf s ILE 124 Cb -0.01 -2.41 -0.01 0.00 0.01 0.00 0.00 42.46 40.05 1ogf s ILE 124 CO -0.06 0.51 0.07 -0.76 0.00 0.00 0.00 174.94 174.70 1ogf s LEU 125 N 0.47 3.66 -0.13 2.97 1.43 -0.48 -0.62 118.68 125.97 1ogf s LEU 125 Ca -0.07 -0.50 -0.16 0.00 -1.03 0.00 0.00 54.13 52.37 1ogf s LEU 125 Cb -0.15 -1.90 -0.04 0.00 0.03 0.00 0.00 46.19 44.13 1ogf s LEU 125 CO 0.04 -0.13 0.37 -1.58 0.23 0.00 0.00 176.35 175.29 1ogf s GLN 126 N 1.55 4.27 0.36 1.70 0.74 0.02 -2.29 119.66 126.01 1ogf s GLN 126 Ca 0.04 0.25 -0.27 0.00 0.05 0.00 0.00 55.36 55.44 1ogf s GLN 126 Cb -0.16 -3.42 -0.09 0.00 1.10 0.00 0.00 33.01 30.44 1ogf s GLN 126 CO 0.03 0.23 1.18 0.00 -0.55 0.00 0.00 175.29 176.18 1ogf s ALA 127 N 0.44 3.29 0.00 1.58 0.00 0.83 -1.25 121.76 126.65 1ogf s ALA 127 Ca 0.21 1.01 0.00 0.00 0.00 0.00 0.00 51.96 53.18 1ogf s ALA 127 Cb -0.14 -3.39 0.00 0.00 0.00 0.00 0.00 23.12 19.59 1ogf s ALA 127 CO 0.07 -0.46 0.00 0.41 0.00 0.00 0.00 175.76 175.78 1ogf n GLY 128 N 0.79 2.94 3.24 0.00 0.00 0.15 -0.67 105.19 111.64 1ogf n GLY 128 Ca 0.02 -2.01 -0.23 0.00 0.00 0.00 0.00 46.02 43.80 1ogf n GLY 128 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ogf s VAL 129 N 1.99 1.52 -2.24 1.61 -7.23 -1.26 -4.20 120.40 110.58 1ogf s VAL 129 Ca 0.00 -1.34 0.21 0.00 -1.81 0.00 0.00 61.98 59.04 1ogf s VAL 129 Cb 0.00 -1.37 0.49 0.00 0.56 0.00 0.00 36.38 36.05 1ogf s VAL 129 CO 0.00 -0.01 1.61 0.18 -0.31 0.00 0.00 175.10 176.56 1ogf n LEU 130 N 1.42 1.33 0.00 1.32 4.77 -1.26 -5.09 117.00 119.49 1ogf n LEU 130 Ca -0.19 -0.54 0.00 0.00 -0.03 0.00 0.00 56.01 55.25 1ogf n LEU 130 Cb 0.54 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 1ogf n LEU 130 CO 0.22 0.27 0.00 2.22 -1.33 0.00 0.00 177.39 178.78