#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 4.32 0.05 0.03 2.20 -1.26 -4.94 119.74 120.14 1ogf s LYS 2 Ca 0.00 2.01 -0.15 0.00 -0.36 0.00 0.00 55.97 57.47 1ogf s LYS 2 Cb 0.00 -3.37 -0.25 0.00 -1.51 0.00 0.00 37.83 32.70 1ogf s LYS 2 CO 0.00 -0.47 1.14 0.87 -0.36 0.00 0.00 175.35 176.54 1ogf h LYS 3 N 7.16 0.63 -5.79 4.03 1.57 -2.05 -3.48 116.57 118.65 1ogf h LYS 3 Ca -0.41 -0.73 -0.56 0.00 -1.87 0.00 0.00 60.65 57.08 1ogf h LYS 3 Cb 1.20 0.22 -0.14 0.00 0.08 0.00 0.00 32.23 33.59 1ogf h LYS 3 CO 0.87 1.31 -0.69 -1.01 -0.57 0.00 0.00 179.45 179.36 1ogf s HIS 4 N -3.18 2.17 0.00 -1.35 3.76 -1.26 -5.10 115.29 110.33 1ogf s HIS 4 Ca -0.10 -0.56 0.00 0.00 -0.15 0.00 0.00 55.06 54.25 1ogf s HIS 4 Cb 0.06 -1.19 0.00 0.00 1.11 0.00 0.00 32.58 32.56 1ogf s HIS 4 CO 0.91 0.47 0.00 0.41 -0.85 0.00 0.00 174.74 175.68 1ogf n GLY 5 N -0.67 -3.35 3.66 -2.22 0.00 -1.26 -4.95 105.19 96.40 1ogf n GLY 5 Ca -0.05 -1.87 -0.41 0.00 0.00 0.00 0.00 46.02 43.69 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 -0.38 2.57 0.02 -0.61 3.06 -1.26 -4.93 119.36 117.83 1ogf n ILE 6 Ca 0.00 -0.50 -0.19 0.00 -2.50 0.00 0.00 62.75 59.56 1ogf n ILE 6 Cb 0.00 -1.37 -0.09 0.00 0.54 0.00 0.00 39.64 38.72 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 1.78 0.89 -9.38 9.51 5.85 -2.00 -3.45 115.31 118.52 1ogf h LEU 7 Ca -0.46 -0.70 -0.54 0.00 0.84 0.00 0.00 57.88 57.02 1ogf h LEU 7 Cb 1.32 -0.27 0.02 0.00 0.37 0.00 0.00 40.66 42.09 1ogf h LEU 7 CO 0.58 1.47 1.11 0.21 -0.34 0.00 0.00 178.44 181.47 1ogf s ASN 8 N -7.18 6.55 0.14 1.25 3.84 -1.26 -4.90 114.94 113.38 1ogf s ASN 8 Ca -0.10 2.51 -0.17 0.00 0.21 0.00 0.00 52.86 55.31 1ogf s ASN 8 Cb 0.07 -2.55 -0.01 0.00 -0.55 0.00 0.00 41.25 38.22 1ogf s ASN 8 CO 0.91 -0.96 1.76 0.77 -2.79 0.00 0.00 177.10 176.78 1ogf h SER 9 N 9.39 0.45 -0.61 -4.21 4.64 -1.99 0.26 113.55 121.47 1ogf h SER 9 Ca -0.44 -0.07 0.03 0.00 -0.47 0.00 0.00 61.79 60.84 1ogf h SER 9 Cb 1.21 -0.11 -0.04 0.00 -0.31 0.00 0.00 62.40 63.15 1ogf h SER 9 CO 0.94 0.38 0.37 0.45 -0.87 0.00 0.00 176.83 178.11 1ogf h HIS 10 N 0.47 0.70 -0.43 4.77 3.86 -1.99 -2.29 115.15 120.24 1ogf h HIS 10 Ca 0.13 0.02 -0.11 0.00 -1.16 0.00 0.00 60.37 59.25 1ogf h HIS 10 Cb 0.03 -0.23 -0.02 0.00 1.06 0.00 0.00 27.41 28.25 1ogf h HIS 10 CO -0.03 0.40 -0.18 -0.07 0.86 0.00 0.00 177.93 178.91 1ogf h LEU 11 N 0.73 0.84 -0.94 2.43 3.38 -1.88 -2.89 115.31 116.98 1ogf h LEU 11 Ca 0.25 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1ogf h LEU 11 Cb 0.02 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.50 1ogf h LEU 11 CO -0.10 1.01 0.60 0.00 0.09 0.00 0.00 178.44 180.03 1ogf h ALA 12 N 1.06 1.20 -0.81 1.53 0.00 -0.61 -1.26 119.26 120.37 1ogf h ALA 12 Ca 0.11 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1ogf h ALA 12 Cb 0.70 -0.38 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 1ogf h ALA 12 CO 0.05 0.62 0.35 0.87 0.00 0.00 0.00 179.25 181.14 1ogf h LYS 13 N 1.29 1.20 -0.27 0.00 1.57 -1.23 -0.16 116.57 118.96 1ogf h LYS 13 Ca 0.34 -0.20 -0.05 0.00 -1.87 0.00 0.00 60.65 58.87 1ogf h LYS 13 Cb -0.11 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 31.99 1ogf h LYS 13 CO -0.07 0.95 -0.02 0.82 -0.57 0.00 0.00 179.45 180.56 1ogf h ILE 14 N 1.18 1.27 -0.48 1.86 1.08 -1.23 -3.16 117.51 118.03 1ogf h ILE 14 Ca 0.27 -0.99 -0.07 0.00 -0.39 0.00 0.00 64.86 63.69 1ogf h ILE 14 Cb 0.18 1.37 -0.02 0.00 -3.07 0.00 0.00 36.82 35.28 1ogf h ILE 14 CO -0.03 0.31 0.04 -0.07 -0.69 0.00 0.00 178.15 177.72 1ogf h LEU 15 N 0.27 0.79 -1.51 1.44 3.38 -1.06 -2.96 115.31 115.66 1ogf h LEU 15 Ca 0.07 -0.28 0.25 0.00 0.09 0.00 0.00 57.88 58.01 1ogf h LEU 15 Cb 0.47 -0.21 -0.08 0.00 0.09 0.00 0.00 40.66 40.93 1ogf h LEU 15 CO 0.02 0.87 0.66 0.00 0.09 0.00 0.00 178.44 180.09 1ogf h ALA 16 N 0.94 2.34 -0.01 1.53 0.00 -0.99 0.13 119.26 123.20 1ogf h ALA 16 Ca 0.14 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1ogf h ALA 16 Cb 0.44 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1ogf h ALA 16 CO 0.02 -0.69 -0.24 -0.25 0.00 0.00 0.00 179.25 178.08 1ogf n ASP 17 N -4.53 1.09 -4.68 0.00 8.00 -1.13 -4.94 116.55 110.36 1ogf n ASP 17 Ca 0.23 -0.95 -0.45 0.00 0.71 0.00 0.00 54.79 54.33 1ogf n ASP 17 Cb 0.86 0.13 -0.04 0.00 -0.02 0.00 0.00 41.12 42.05 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 -0.57 3.61 -4.61 0.64 4.77 0.46 -5.00 117.00 116.30 1ogf n LEU 18 Ca 0.13 1.03 -0.25 0.00 -0.03 0.00 0.00 56.01 56.89 1ogf n LEU 18 Cb 0.35 -1.48 -0.09 0.00 -2.33 0.00 0.00 43.42 39.88 1ogf n LEU 18 CO 0.25 -0.02 -0.33 -0.83 -1.33 0.00 0.00 177.39 175.13 1ogf s GLY 19 N 2.17 2.03 -0.10 -0.72 0.00 -1.26 -5.03 107.32 104.42 1ogf s GLY 19 Ca 0.82 -1.94 -0.35 0.00 0.00 0.00 0.00 44.72 43.25 1ogf s GLY 19 CO 0.39 -1.90 1.84 1.57 0.00 0.00 0.00 173.10 175.00 1ogf n HIS 20 N -0.90 2.29 -0.52 1.90 -0.00 -1.26 -1.25 115.22 115.47 1ogf n HIS 20 Ca -0.05 0.08 0.00 0.00 0.46 0.00 0.00 57.72 58.22 1ogf n HIS 20 Cb 0.62 -2.63 0.00 0.00 -0.12 0.00 0.00 29.99 27.86 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 4.96 0.00 -2.15 3.57 -2.24 -0.12 -5.00 114.28 113.30 1ogf n THR 21 Ca 0.23 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.65 1ogf n THR 21 Cb 0.27 0.00 0.01 0.00 -2.10 0.00 0.00 70.33 68.52 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 -3.03 5.59 0.08 3.42 1.01 -0.38 -4.58 116.67 118.78 1ogf s ASP 22 Ca 0.00 2.31 0.07 0.00 0.71 0.00 0.00 52.55 55.64 1ogf s ASP 22 Cb 0.00 -2.59 -0.04 0.00 1.01 0.00 0.00 42.92 41.30 1ogf s ASP 22 CO 0.00 -1.32 -0.12 -0.54 0.21 0.00 0.00 175.17 173.40 1ogf s LYS 23 N -3.17 2.13 0.06 8.23 1.02 -1.26 -0.84 119.74 125.91 1ogf s LYS 23 Ca 0.73 -0.99 0.04 0.00 0.02 0.00 0.00 55.97 55.77 1ogf s LYS 23 Cb -0.28 -2.28 -0.03 0.00 -0.52 0.00 0.00 37.83 34.72 1ogf s LYS 23 CO 0.32 0.53 -0.12 0.42 -0.92 0.00 0.00 175.35 175.57 1ogf s ILE 24 N -1.11 0.95 -0.06 2.17 1.01 -0.16 -0.76 121.20 123.24 1ogf s ILE 24 Ca 0.19 -1.22 0.05 0.00 0.00 0.00 0.00 60.65 59.67 1ogf s ILE 24 Cb -0.11 -0.93 -0.01 0.00 0.01 0.00 0.00 42.46 41.42 1ogf s ILE 24 CO 0.10 -0.25 -0.24 -0.69 0.00 0.00 0.00 174.94 173.86 1ogf s VAL 25 N -1.27 1.98 -0.22 2.92 1.01 -0.58 -0.41 120.40 123.84 1ogf s VAL 25 Ca -0.04 -1.02 -0.04 0.00 0.00 0.00 0.00 61.98 60.88 1ogf s VAL 25 Cb -0.10 -1.69 -0.01 0.00 0.00 0.00 0.00 36.38 34.58 1ogf s VAL 25 CO 0.02 0.55 -0.04 -0.63 0.00 0.00 0.00 175.10 175.00 1ogf s ILE 26 N -0.04 3.40 0.25 2.22 1.01 -0.76 0.69 121.20 127.97 1ogf s ILE 26 Ca -0.07 -0.48 0.10 0.00 0.00 0.00 0.00 60.65 60.20 1ogf s ILE 26 Cb -0.14 -2.54 -0.05 0.00 0.01 0.00 0.00 42.46 39.73 1ogf s ILE 26 CO 0.05 0.42 -0.16 0.00 0.00 0.00 0.00 174.94 175.24 1ogf s ALA 27 N 1.47 2.42 0.85 9.38 0.00 0.10 -1.58 121.76 134.39 1ogf s ALA 27 Ca 0.06 -1.79 -0.11 0.00 0.00 0.00 0.00 51.96 50.11 1ogf s ALA 27 Cb -0.14 -0.15 0.15 0.00 0.00 0.00 0.00 23.12 22.98 1ogf s ALA 27 CO -0.03 0.16 1.19 0.16 0.00 0.00 0.00 175.76 177.24 1ogf s ASP 28 N -3.43 3.78 0.00 0.00 3.84 -0.97 -0.96 116.67 118.93 1ogf s ASP 28 Ca 0.27 0.20 0.07 0.00 -0.00 0.00 0.00 52.55 53.09 1ogf s ASP 28 Cb -0.02 -0.46 0.39 0.00 -1.38 0.00 0.00 42.92 41.45 1ogf s ASP 28 CO 0.11 -2.29 0.98 0.00 -0.00 0.00 0.00 175.17 173.98 1ogf n ALA 29 N -3.39 1.64 0.13 2.11 0.00 -0.52 -3.17 120.51 117.32 1ogf n ALA 29 Ca 0.13 -0.04 0.02 0.00 0.00 0.00 0.00 53.44 53.56 1ogf n ALA 29 Cb 0.60 -1.12 -0.03 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 -0.62 0.19 3.71 0.00 0.00 -1.26 -5.03 105.19 102.18 1ogf n GLY 30 Ca 0.04 -0.13 -0.43 0.00 0.00 0.00 0.00 46.02 45.50 1ogf n GLY 30 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1ogf n LEU 31 N -1.37 3.81 -4.78 0.99 7.94 -1.19 -4.96 117.00 117.45 1ogf n LEU 31 Ca 0.00 1.07 -0.37 0.00 -1.11 0.00 0.00 56.01 55.59 1ogf n LEU 31 Cb 0.10 -1.54 -0.05 0.00 0.53 0.00 0.00 43.42 42.46 1ogf n LEU 31 CO 0.10 0.08 0.70 -2.16 -1.11 0.00 0.00 177.39 175.00 1ogf s PRO 32 N 1.07 4.48 -0.25 1.96 0.04 -1.26 -4.97 135.00 136.06 1ogf s PRO 32 Ca 0.76 1.46 -0.11 0.00 0.04 0.00 0.00 61.00 63.14 1ogf s PRO 32 Cb -0.54 -2.80 -0.05 0.00 0.04 0.00 0.00 34.50 31.15 1ogf s PRO 32 CO 0.34 0.15 0.20 0.08 0.04 0.00 0.00 177.00 177.82 1ogf s VAL 33 N -1.54 5.32 0.57 -0.36 1.01 -1.26 -5.06 120.40 119.08 1ogf s VAL 33 Ca 0.51 0.25 -0.21 0.00 0.00 0.00 0.00 61.98 62.53 1ogf s VAL 33 Cb -0.22 -3.54 -0.04 0.00 0.00 0.00 0.00 36.38 32.58 1ogf s VAL 33 CO 0.28 0.29 1.35 -2.84 0.00 0.00 0.00 175.10 174.19 1ogf s PRO 34 N 1.38 2.98 0.29 2.72 0.02 -1.26 -4.90 135.00 136.23 1ogf s PRO 34 Ca 0.09 2.22 -0.30 0.00 0.02 0.00 0.00 61.00 63.03 1ogf s PRO 34 Cb -0.15 -2.16 -0.11 0.00 0.02 0.00 0.00 34.50 32.10 1ogf s PRO 34 CO 0.07 -1.31 1.57 -0.51 -0.33 0.00 0.00 177.00 176.50 1ogf s ASP 35 N -1.03 6.41 0.00 2.53 1.01 -1.26 -2.23 116.67 122.11 1ogf s ASP 35 Ca 0.74 2.91 0.00 0.00 0.71 0.00 0.00 52.55 56.91 1ogf s ASP 35 Cb -0.40 -2.63 0.00 0.00 1.01 0.00 0.00 42.92 40.89 1ogf s ASP 35 CO 0.47 -0.89 0.00 0.61 0.21 0.00 0.00 175.17 175.57 1ogf n GLY 36 N 2.18 2.38 3.70 0.21 0.00 -1.26 -5.04 105.19 107.36 1ogf n GLY 36 Ca 0.08 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.48 5.18 0.24 1.61 1.01 -0.95 -5.03 120.40 119.98 1ogf s VAL 37 Ca 0.00 0.86 -0.31 0.00 0.00 0.00 0.00 61.98 62.53 1ogf s VAL 37 Cb 0.00 -3.79 -0.12 0.00 0.00 0.00 0.00 36.38 32.48 1ogf s VAL 37 CO 0.00 0.28 1.65 -0.22 0.00 0.00 0.00 175.10 176.81 1ogf s LEU 38 N 1.03 4.36 -0.24 3.92 2.96 -1.26 -4.82 118.68 124.63 1ogf s LEU 38 Ca 0.23 2.88 -0.05 0.00 -0.22 0.00 0.00 54.13 56.98 1ogf s LEU 38 Cb -0.15 -3.61 -0.00 0.00 0.50 0.00 0.00 46.19 42.92 1ogf s LEU 38 CO 0.09 -0.93 -0.00 -0.75 -1.32 0.00 0.00 176.35 173.44 1ogf s LYS 39 N 0.43 3.30 -0.47 1.98 2.20 -1.26 -0.38 119.74 125.54 1ogf s LYS 39 Ca 0.69 -0.69 -0.05 0.00 -0.36 0.00 0.00 55.97 55.57 1ogf s LYS 39 Cb -0.48 -3.13 0.12 0.00 -1.51 0.00 0.00 37.83 32.83 1ogf s LYS 39 CO 0.39 -0.27 0.30 0.42 -0.36 0.00 0.00 175.35 175.82 1ogf s ILE 40 N 1.49 3.64 -0.39 5.43 1.01 0.15 -4.97 121.20 127.56 1ogf s ILE 40 Ca 0.05 -2.18 -0.24 0.00 0.00 0.00 0.00 60.65 58.28 1ogf s ILE 40 Cb -0.15 -3.44 0.01 0.00 0.01 0.00 0.00 42.46 38.90 1ogf s ILE 40 CO -0.01 -0.76 0.84 -0.62 0.00 0.00 0.00 174.94 174.39 1ogf s ASP 41 N 1.81 6.57 0.00 3.58 -1.08 -1.26 -1.34 116.67 124.94 1ogf s ASP 41 Ca 0.10 0.34 0.21 0.00 -0.52 0.00 0.00 52.55 52.68 1ogf s ASP 41 Cb -0.23 -2.42 -0.07 0.00 -1.46 0.00 0.00 42.92 38.74 1ogf s ASP 41 CO -0.03 -0.82 1.01 0.18 0.52 0.00 0.00 175.17 176.02 1ogf n LEU 42 N 6.64 1.71 -4.65 -1.34 4.77 0.38 -4.94 117.00 119.57 1ogf n LEU 42 Ca 0.04 -0.69 -0.45 0.00 -0.03 0.00 0.00 56.01 54.88 1ogf n LEU 42 Cb 0.48 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.55 1ogf n LEU 42 CO 0.57 0.34 0.88 -1.54 -1.33 0.00 0.00 177.39 176.31 1ogf n SER 43 N -0.42 2.33 -0.05 -1.43 3.41 -1.13 -4.27 113.62 112.05 1ogf n SER 43 Ca 0.08 1.16 -0.10 0.00 -0.26 0.00 0.00 58.87 59.74 1ogf n SER 43 Cb 0.42 -1.38 -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 1.76 1.66 -3.59 1.04 -0.00 0.31 -4.89 117.00 113.28 1ogf n LEU 44 Ca 0.11 0.06 -0.08 0.00 -0.00 0.00 0.00 56.01 56.10 1ogf n LEU 44 Cb 0.31 -0.34 -0.02 0.00 -0.00 0.00 0.00 43.42 43.37 1ogf n LEU 44 CO 0.62 0.41 0.60 -1.59 -0.00 0.00 0.00 177.39 177.43 1ogf s LYS 45 N -2.21 1.15 -0.44 1.96 -2.85 -0.99 -5.02 119.74 111.35 1ogf s LYS 45 Ca -0.15 -0.52 -0.45 0.00 -1.00 0.00 0.00 55.97 53.85 1ogf s LYS 45 Cb 0.05 0.47 -0.19 0.00 -2.06 0.00 0.00 37.83 36.10 1ogf s LYS 45 CO 0.21 -0.51 1.68 -2.30 0.10 0.00 0.00 175.35 174.53 1ogf n PRO 46 N -0.36 0.32 0.00 1.78 -0.02 -1.26 0.34 135.00 135.79 1ogf n PRO 46 Ca -0.09 0.12 0.00 0.00 -2.02 0.00 0.00 63.50 61.50 1ogf n PRO 46 Cb 0.62 -1.67 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 4.32 1.60 3.01 -1.23 0.00 0.26 -4.98 105.19 108.17 1ogf n GLY 47 Ca 0.32 0.00 -0.26 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 1.56 0.67 0.99 1.43 0.15 -3.04 118.68 120.45 1ogf s LEU 48 Ca 0.00 -0.34 -0.11 0.00 -1.03 0.00 0.00 54.13 52.65 1ogf s LEU 48 Cb 0.00 -0.90 -0.01 0.00 0.03 0.00 0.00 46.19 45.31 1ogf s LEU 48 CO 0.00 -0.01 1.06 -2.16 0.23 0.00 0.00 176.35 175.47 1ogf s PRO 49 N 0.99 3.13 0.29 1.29 0.04 -1.26 0.11 135.00 139.60 1ogf s PRO 49 Ca -0.08 0.72 -0.21 0.00 0.04 0.00 0.00 61.00 61.47 1ogf s PRO 49 Cb -0.15 -2.03 -0.09 0.00 0.04 0.00 0.00 34.50 32.27 1ogf s PRO 49 CO -0.00 -0.90 0.82 0.00 0.04 0.00 0.00 177.00 176.95 1ogf s ALA 50 N -3.19 3.29 0.23 8.56 0.00 -1.17 -0.04 121.76 129.44 1ogf s ALA 50 Ca 0.57 0.28 -0.10 0.00 0.00 0.00 0.00 51.96 52.71 1ogf s ALA 50 Cb -0.12 -2.96 0.34 0.00 0.00 0.00 0.00 23.12 20.38 1ogf s ALA 50 CO 0.54 0.26 1.65 0.35 0.00 0.00 0.00 175.76 178.55 1ogf h PHE 51 N 2.97 -0.09 0.11 0.00 3.57 -1.93 0.66 116.94 122.23 1ogf h PHE 51 Ca -0.48 0.05 0.01 0.00 3.53 0.00 0.00 57.97 61.08 1ogf h PHE 51 Cb 1.19 0.15 -0.01 0.00 2.79 0.00 0.00 35.95 40.06 1ogf h PHE 51 CO 0.63 -0.21 -0.12 1.96 -2.23 0.00 0.00 178.31 178.33 1ogf h GLN 52 N 0.09 -0.26 -0.66 1.11 4.20 -1.98 0.13 115.11 117.75 1ogf h GLN 52 Ca 0.35 0.02 0.02 0.00 0.06 0.00 0.00 58.65 59.10 1ogf h GLN 52 Cb 0.59 0.06 -0.04 0.00 0.30 0.00 0.00 27.48 28.39 1ogf h GLN 52 CO -0.60 -0.17 0.42 -0.44 -0.67 0.00 0.00 178.83 177.37 1ogf h ASP 53 N -0.27 0.72 -0.63 1.46 3.32 -1.65 -0.56 116.42 118.81 1ogf h ASP 53 Ca 0.01 -0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 1ogf h ASP 53 Cb 0.26 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.62 1ogf h ASP 53 CO -0.04 0.51 0.23 0.74 -1.72 0.00 0.00 179.24 178.96 1ogf h THR 54 N 0.85 1.24 -0.57 0.35 2.02 -0.66 -2.62 112.91 113.52 1ogf h THR 54 Ca 0.25 -0.77 -0.00 0.00 0.77 0.00 0.00 66.41 66.66 1ogf h THR 54 Cb -0.05 0.56 -0.03 0.00 -1.74 0.00 0.00 68.15 66.89 1ogf h THR 54 CO -0.07 0.30 0.35 0.00 0.37 0.00 0.00 175.52 176.46 1ogf h ALA 55 N 1.09 0.72 -0.55 6.16 0.00 -0.12 -2.47 119.26 124.09 1ogf h ALA 55 Ca 0.21 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.09 1ogf h ALA 55 Cb 0.23 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 1ogf h ALA 55 CO -0.01 0.20 0.31 0.00 0.00 0.00 0.00 179.25 179.75 1ogf h ALA 56 N 1.18 0.70 0.21 0.00 0.00 -0.92 0.03 119.26 120.47 1ogf h ALA 56 Ca 0.20 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1ogf h ALA 56 Cb -0.03 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1ogf h ALA 56 CO -0.04 0.01 -0.10 0.28 0.00 0.00 0.00 179.25 179.39 1ogf h VAL 57 N 0.61 0.82 -0.91 0.00 2.07 -1.26 -2.37 116.25 115.21 1ogf h VAL 57 Ca 0.23 -0.15 0.04 0.00 0.82 0.00 0.00 66.70 67.64 1ogf h VAL 57 Cb 0.07 0.91 -0.06 0.00 -1.52 0.00 0.00 31.29 30.69 1ogf h VAL 57 CO -0.12 0.03 0.58 -0.07 0.02 0.00 0.00 177.57 178.02 1ogf h LEU 58 N -0.36 0.96 -1.63 2.57 -0.00 -1.23 -1.85 115.31 113.77 1ogf h LEU 58 Ca -0.03 -0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.84 1ogf h LEU 58 Cb 0.28 -0.21 -0.01 0.00 -0.00 0.00 0.00 40.66 40.71 1ogf h LEU 58 CO 0.05 0.65 0.12 0.00 -0.00 0.00 0.00 178.44 179.27 1ogf h ALA 59 N 1.38 1.72 0.00 1.53 0.00 -0.85 0.17 119.26 123.21 1ogf h ALA 59 Ca 0.37 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1ogf h ALA 59 Cb 0.03 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1ogf h ALA 59 CO -0.13 0.23 -0.47 1.49 0.00 0.00 0.00 179.25 180.37 1ogf h GLU 60 N 0.37 0.00 -0.00 0.00 4.22 -0.82 -3.35 114.58 114.99 1ogf h GLU 60 Ca 0.10 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.54 1ogf h GLU 60 Cb 0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1ogf h GLU 60 CO -0.01 0.00 -0.34 0.39 -2.18 0.00 0.00 179.01 176.87 1ogf n GLU 61 N -2.36 3.13 -4.66 1.92 -0.58 -0.83 -4.98 120.64 112.28 1ogf n GLU 61 Ca 0.03 -0.26 -0.24 0.00 -0.42 0.00 0.00 57.16 56.27 1ogf n GLU 61 Cb 0.47 -1.00 -0.16 0.00 -0.57 0.00 0.00 31.44 30.18 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 1.61 -0.44 3.49 1.75 0.53 -4.92 119.30 119.67 1ogf s MET 62 Ca 0.06 -0.48 -0.29 0.00 -1.25 0.00 0.00 55.69 53.72 1ogf s MET 62 Cb 0.07 -1.38 0.03 0.00 2.84 0.00 0.00 34.83 36.39 1ogf s MET 62 CO 0.32 0.14 1.15 0.00 -0.65 0.00 0.00 175.02 175.98 1ogf s ALA 63 N 0.30 3.22 -0.14 4.11 0.00 -1.26 -4.65 121.76 123.33 1ogf s ALA 63 Ca -0.08 -0.36 -0.05 0.00 0.00 0.00 0.00 51.96 51.48 1ogf s ALA 63 Cb -0.13 -3.85 -0.03 0.00 0.00 0.00 0.00 23.12 19.11 1ogf s ALA 63 CO 0.03 -2.11 0.01 0.08 0.00 0.00 0.00 175.76 173.77 1ogf s VAL 64 N 4.36 4.36 -0.25 0.00 1.01 -1.26 -0.04 120.40 128.57 1ogf s VAL 64 Ca 0.49 -0.20 0.11 0.00 0.00 0.00 0.00 61.98 62.37 1ogf s VAL 64 Cb -0.09 -2.91 -0.15 0.00 0.00 0.00 0.00 36.38 33.24 1ogf s VAL 64 CO 0.28 0.52 0.35 -1.84 0.00 0.00 0.00 175.10 174.41 1ogf n GLU 65 N 3.10 1.81 -3.57 2.72 0.28 -0.54 -4.76 120.64 119.68 1ogf n GLU 65 Ca -0.17 -0.05 -0.17 0.00 -0.16 0.00 0.00 57.16 56.60 1ogf n GLU 65 Cb 0.53 -1.15 -0.07 0.00 1.43 0.00 0.00 31.44 32.19 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 -2.42 0.98 -0.01 3.44 2.20 -1.21 -3.18 119.74 119.53 1ogf s LYS 66 Ca -0.00 0.25 0.04 0.00 -0.36 0.00 0.00 55.97 55.90 1ogf s LYS 66 Cb 0.08 0.46 -0.01 0.00 -1.51 0.00 0.00 37.83 36.85 1ogf s LYS 66 CO 0.46 -0.29 -0.13 0.08 -0.36 0.00 0.00 175.35 175.11 1ogf s VAL 67 N -1.08 1.01 -0.03 4.02 1.01 0.17 -1.42 120.40 124.09 1ogf s VAL 67 Ca -0.10 -0.55 0.04 0.00 0.00 0.00 0.00 61.98 61.37 1ogf s VAL 67 Cb -0.01 -0.84 -0.01 0.00 0.00 0.00 0.00 36.38 35.52 1ogf s VAL 67 CO 0.08 0.29 -0.15 -0.63 0.00 0.00 0.00 175.10 174.69 1ogf s ILE 68 N -0.30 1.22 0.21 2.22 1.01 -0.73 -1.13 121.20 123.70 1ogf s ILE 68 Ca 0.05 -0.63 -0.06 0.00 0.00 0.00 0.00 60.65 60.01 1ogf s ILE 68 Cb -0.05 -1.04 -0.02 0.00 0.01 0.00 0.00 42.46 41.36 1ogf s ILE 68 CO -0.00 0.35 0.27 0.00 0.00 0.00 0.00 174.94 175.55 1ogf s ALA 69 N -0.13 0.50 0.17 9.38 0.00 -0.51 -0.77 121.76 130.40 1ogf s ALA 69 Ca 0.01 -1.29 -0.27 0.00 0.00 0.00 0.00 51.96 50.41 1ogf s ALA 69 Cb -0.08 1.17 -0.08 0.00 0.00 0.00 0.00 23.12 24.13 1ogf s ALA 69 CO 0.01 -0.68 0.83 0.00 0.00 0.00 0.00 175.76 175.92 1ogf s ALA 70 N -4.08 3.39 0.40 0.00 0.00 -1.26 -1.21 121.76 119.02 1ogf s ALA 70 Ca 0.29 0.44 0.07 0.00 0.00 0.00 0.00 51.96 52.76 1ogf s ALA 70 Cb 0.04 -3.05 0.85 0.00 0.00 0.00 0.00 23.12 20.95 1ogf s ALA 70 CO 0.09 0.22 2.05 0.00 0.00 0.00 0.00 175.76 178.11 1ogf h ALA 71 N 4.55 1.72 -0.14 0.00 0.00 -0.87 -2.17 119.26 122.34 1ogf h ALA 71 Ca -0.46 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.47 1ogf h ALA 71 Cb 1.20 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1ogf h ALA 71 CO 0.68 0.25 0.45 0.93 0.00 0.00 0.00 179.25 181.56 1ogf h GLU 72 N 0.58 0.00 -0.29 0.00 3.07 -1.93 -1.58 114.58 114.44 1ogf h GLU 72 Ca 0.17 0.00 -0.12 0.00 -0.50 0.00 0.00 59.36 58.91 1ogf h GLU 72 Cb -0.01 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 27.88 1ogf h GLU 72 CO -0.04 0.00 -0.33 0.97 -1.40 0.00 0.00 179.01 178.21 1ogf h ILE 73 N 0.00 1.29 -0.76 3.13 2.10 -1.66 -1.62 117.51 119.98 1ogf h ILE 73 Ca 0.07 -1.46 0.12 0.00 1.08 0.00 0.00 64.86 64.67 1ogf h ILE 73 Cb 0.97 1.43 -0.05 0.00 -1.09 0.00 0.00 36.82 38.07 1ogf h ILE 73 CO -0.00 0.47 0.50 0.11 -1.08 0.00 0.00 178.15 178.15 1ogf h LYS 74 N 0.53 0.54 0.00 2.19 1.57 -1.49 0.44 116.57 120.35 1ogf h LYS 74 Ca 0.06 -0.03 -0.30 0.00 -1.87 0.00 0.00 60.65 58.50 1ogf h LYS 74 Cb 0.83 -0.12 -0.06 0.00 0.08 0.00 0.00 32.23 32.96 1ogf h LYS 74 CO 0.07 0.36 -2.15 0.00 -0.57 0.00 0.00 179.45 177.16 1ogf n ALA 75 N -2.48 1.57 0.55 3.86 0.00 -1.21 -4.05 120.51 118.76 1ogf n ALA 75 Ca 0.14 -0.96 0.12 0.00 0.00 0.00 0.00 53.44 52.74 1ogf n ALA 75 Cb 0.43 -0.03 0.23 0.00 0.00 0.00 0.00 19.45 20.08 1ogf n ALA 75 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1ogf h SER 76 N 0.00 0.00 -0.89 0.00 0.02 -1.31 -3.39 113.55 107.97 1ogf h SER 76 Ca -0.45 -0.14 -0.36 0.00 -0.84 0.00 0.00 61.79 60.00 1ogf h SER 76 Cb 1.83 0.00 -0.26 0.00 0.14 0.00 0.00 62.40 64.12 1ogf h SER 76 CO -0.03 0.07 -0.77 -3.20 -1.14 0.00 0.00 176.83 171.76 1ogf n ASN 77 N -2.21 -1.23 -0.25 3.07 2.85 0.14 -4.77 115.26 112.85 1ogf n ASN 77 Ca 0.04 -3.21 0.09 0.00 -0.11 0.00 0.00 54.58 51.39 1ogf n ASN 77 Cb 0.45 0.76 0.35 0.00 1.24 0.00 0.00 39.78 42.58 1ogf n ASN 77 CO 0.00 0.00 0.00 1.56 -2.11 0.00 0.00 177.26 176.71 1ogf h GLN 78 N 3.51 0.73 0.20 1.20 4.20 -1.69 -1.39 115.11 121.88 1ogf h GLN 78 Ca -0.03 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.63 1ogf h GLN 78 Cb 1.00 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.62 1ogf h GLN 78 CO 0.34 0.48 -0.10 1.49 -0.67 0.00 0.00 178.83 180.37 1ogf h GLU 79 N 0.75 -0.27 -0.05 1.46 4.81 -1.92 0.09 114.58 119.45 1ogf h GLU 79 Ca 0.40 0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.66 1ogf h GLU 79 Cb 0.52 0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.96 1ogf h GLU 79 CO -0.17 -0.18 0.10 -0.91 -0.73 0.00 0.00 179.01 177.13 1ogf h ASN 80 N -0.28 0.00 -0.14 1.04 2.35 -1.91 -0.76 115.58 115.87 1ogf h ASN 80 Ca -0.03 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.62 1ogf h ASN 80 Cb 0.22 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.59 1ogf h ASN 80 CO 0.04 0.00 -0.30 0.00 -1.65 0.00 0.00 177.43 175.53 1ogf h ALA 81 N 1.84 0.22 -0.30 -0.83 0.00 -0.96 -2.47 119.26 116.77 1ogf h ALA 81 Ca 0.02 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 1ogf h ALA 81 Cb 0.23 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1ogf h ALA 81 CO -0.00 0.24 0.14 0.87 0.00 0.00 0.00 179.25 180.50 1ogf h LYS 82 N 0.05 0.44 -0.50 0.00 1.57 0.42 -2.78 116.57 115.78 1ogf h LYS 82 Ca 0.00 -0.07 0.09 0.00 -1.87 0.00 0.00 60.65 58.80 1ogf h LYS 82 Cb 0.89 -0.08 -0.10 0.00 0.08 0.00 0.00 32.23 33.02 1ogf h LYS 82 CO 0.07 0.43 -0.35 0.35 -0.57 0.00 0.00 179.45 179.37 1ogf h PHE 83 N 0.35 -0.98 -0.37 -1.35 3.57 -1.28 -0.50 116.94 116.38 1ogf h PHE 83 Ca 0.10 0.07 0.06 0.00 3.53 0.00 0.00 57.97 61.73 1ogf h PHE 83 Cb 0.14 0.50 -0.06 0.00 2.79 0.00 0.00 35.95 39.33 1ogf h PHE 83 CO -0.01 -0.39 0.02 1.25 -2.23 0.00 0.00 178.31 176.94 1ogf h LEU 84 N -0.22 -0.11 -0.90 0.59 5.85 -1.30 0.19 115.31 119.41 1ogf h LEU 84 Ca 0.19 0.08 0.04 0.00 0.84 0.00 0.00 57.88 59.04 1ogf h LEU 84 Cb 0.55 0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.66 1ogf h LEU 84 CO -0.62 -0.02 0.58 -0.33 -0.34 0.00 0.00 178.44 177.71 1ogf h GLU 85 N 0.12 1.06 -0.03 1.25 4.39 -1.03 -1.08 114.58 119.27 1ogf h GLU 85 Ca 0.18 -0.06 -0.02 0.00 0.34 0.00 0.00 59.36 59.80 1ogf h GLU 85 Cb 0.24 -0.24 -0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1ogf h GLU 85 CO -0.28 0.70 -0.05 -0.91 -1.16 0.00 0.00 179.01 177.31 1ogf h ASN 86 N 1.10 0.10 0.06 1.42 -0.26 -0.24 -2.38 115.58 115.38 1ogf h ASN 86 Ca 0.37 -0.55 -0.00 0.00 -0.56 0.00 0.00 56.30 55.56 1ogf h ASN 86 Cb 0.06 -0.03 0.00 0.00 -1.06 0.00 0.00 38.32 37.30 1ogf h ASN 86 CO -0.14 0.63 -0.03 0.25 -1.06 0.00 0.00 177.43 177.08 1ogf h LEU 87 N -0.43 -0.07 -4.88 1.61 5.85 -0.54 -3.00 115.31 113.84 1ogf h LEU 87 Ca 0.00 -0.03 -0.74 0.00 0.84 0.00 0.00 57.88 57.95 1ogf h LEU 87 Cb 0.61 0.02 -0.29 0.00 0.37 0.00 0.00 40.66 41.37 1ogf h LEU 87 CO 0.01 -0.01 0.82 0.49 -0.34 0.00 0.00 178.44 179.41 1ogf n PHE 88 N -5.11 3.05 0.23 1.25 3.01 -0.42 -4.72 117.46 114.75 1ogf n PHE 88 Ca -0.08 -2.45 0.06 0.00 1.01 0.00 0.00 57.45 55.99 1ogf n PHE 88 Cb 0.07 -1.06 0.52 0.00 -0.01 0.00 0.00 39.48 39.01 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 2.89 0.00 0.52 4.37 4.64 -1.27 -2.80 113.55 121.90 1ogf h SER 89 Ca 0.54 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.86 1ogf h SER 89 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 1ogf h SER 89 CO 1.37 0.17 -0.82 -0.62 -0.87 0.00 0.00 176.83 176.06 1ogf n GLU 90 N -4.30 0.21 -2.60 4.77 1.02 -1.26 -4.94 120.64 113.53 1ogf n GLU 90 Ca -0.02 0.02 -0.26 0.00 -0.02 0.00 0.00 57.16 56.87 1ogf n GLU 90 Cb 0.24 -1.59 0.02 0.00 -0.02 0.00 0.00 31.44 30.09 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 -3.13 3.14 -0.15 3.49 1.11 -1.06 -5.04 119.66 118.03 1ogf s GLN 91 Ca 0.06 -0.05 -0.29 0.00 0.01 0.00 0.00 55.36 55.09 1ogf s GLN 91 Cb 0.15 -2.37 -0.01 0.00 -1.01 0.00 0.00 33.01 29.78 1ogf s GLN 91 CO 0.76 -0.45 1.08 -2.00 0.01 0.00 0.00 175.29 174.69 1ogf s GLU 92 N -4.82 4.34 -0.24 2.91 2.12 -1.19 -4.91 118.70 116.90 1ogf s GLU 92 Ca 0.51 1.45 -0.04 0.00 0.36 0.00 0.00 54.97 57.25 1ogf s GLU 92 Cb -0.10 -3.60 0.00 0.00 0.26 0.00 0.00 34.13 30.69 1ogf s GLU 92 CO 0.43 -0.49 -0.02 0.42 -0.54 0.00 0.00 175.26 175.07 1ogf s ILE 93 N 2.61 3.42 -0.06 -3.70 1.01 -1.26 -0.66 121.20 122.57 1ogf s ILE 93 Ca 0.49 -0.63 0.04 0.00 0.00 0.00 0.00 60.65 60.55 1ogf s ILE 93 Cb -0.18 -2.63 -0.02 0.00 0.01 0.00 0.00 42.46 39.63 1ogf s ILE 93 CO 0.14 0.31 -0.15 -0.70 0.00 0.00 0.00 174.94 174.54 1ogf s GLU 94 N 1.46 2.59 -0.08 2.79 2.12 -0.29 -5.00 118.70 122.30 1ogf s GLU 94 Ca 0.04 -0.72 0.02 0.00 0.36 0.00 0.00 54.97 54.67 1ogf s GLU 94 Cb -0.15 -2.38 -0.02 0.00 0.26 0.00 0.00 34.13 31.84 1ogf s GLU 94 CO -0.02 0.55 -0.12 0.71 -0.54 0.00 0.00 175.26 175.84 1ogf s TYR 95 N -0.56 2.78 0.22 5.30 1.51 -1.26 -1.42 117.35 123.92 1ogf s TYR 95 Ca 0.08 -0.27 0.04 0.00 -1.01 0.00 0.00 57.07 55.91 1ogf s TYR 95 Cb -0.11 -1.71 -0.05 0.00 -0.11 0.00 0.00 41.96 39.97 1ogf s TYR 95 CO 0.01 0.09 -0.02 -0.51 -1.11 0.00 0.00 175.55 174.02 1ogf s LEU 96 N -0.41 2.25 0.73 -1.29 1.43 -0.35 -4.82 118.68 116.22 1ogf s LEU 96 Ca 0.05 -1.19 -0.15 0.00 -1.03 0.00 0.00 54.13 51.81 1ogf s LEU 96 Cb -0.12 -0.30 0.04 0.00 0.03 0.00 0.00 46.19 45.84 1ogf s LEU 96 CO 0.02 -0.48 1.18 -0.94 0.23 0.00 0.00 176.35 176.36 1ogf s SER 97 N -3.29 4.33 0.53 2.29 1.04 -1.26 -0.19 113.70 117.14 1ogf s SER 97 Ca 0.27 2.25 0.21 0.00 0.48 0.00 0.00 55.95 59.16 1ogf s SER 97 Cb 0.05 -2.58 1.35 0.00 0.10 0.00 0.00 66.02 64.94 1ogf s SER 97 CO 0.08 -2.17 2.08 -0.74 0.98 0.00 0.00 173.24 173.47 1ogf h HIS 98 N -0.34 0.00 -0.07 5.02 2.76 -1.92 -0.47 115.15 120.13 1ogf h HIS 98 Ca -0.47 0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 57.68 1ogf h HIS 98 Cb 1.28 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 30.24 1ogf h HIS 98 CO 0.49 0.00 -0.03 0.93 -1.30 0.00 0.00 177.93 178.02 1ogf h GLU 99 N 0.00 0.13 -0.64 5.26 4.39 -2.00 -1.15 114.58 120.58 1ogf h GLU 99 Ca 0.11 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.75 1ogf h GLU 99 Cb 0.45 -0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.06 1ogf h GLU 99 CO -0.00 0.50 0.41 0.93 -1.16 0.00 0.00 179.01 179.69 1ogf h GLU 100 N -0.24 0.85 -0.35 2.33 5.08 -1.73 -1.50 114.58 119.02 1ogf h GLU 100 Ca 0.02 -0.06 0.06 0.00 -1.00 0.00 0.00 59.36 58.37 1ogf h GLU 100 Cb 0.46 -0.19 -0.05 0.00 0.50 0.00 0.00 28.75 29.47 1ogf h GLU 100 CO 0.01 0.58 0.03 0.35 -1.00 0.00 0.00 179.01 178.98 1ogf h PHE 101 N 0.86 0.03 -0.61 4.33 3.57 -1.01 -0.01 116.94 124.10 1ogf h PHE 101 Ca 0.23 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.74 1ogf h PHE 101 Cb -0.07 0.04 -0.03 0.00 2.79 0.00 0.00 35.95 38.68 1ogf h PHE 101 CO -0.02 -0.03 0.34 0.87 -2.23 0.00 0.00 178.31 177.23 1ogf h LYS 102 N 0.13 0.84 -0.85 1.11 1.57 -0.67 -1.34 116.57 117.37 1ogf h LYS 102 Ca 0.17 -0.09 0.04 0.00 -1.87 0.00 0.00 60.65 58.90 1ogf h LYS 102 Cb 0.22 -0.17 -0.05 0.00 0.08 0.00 0.00 32.23 32.31 1ogf h LYS 102 CO -0.26 0.63 0.56 -0.07 -0.57 0.00 0.00 179.45 179.74 1ogf h LEU 103 N 0.82 0.89 -1.59 2.94 3.38 -0.64 -0.64 115.31 120.47 1ogf h LEU 103 Ca 0.21 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.14 1ogf h LEU 103 Cb 0.03 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1ogf h LEU 103 CO -0.04 0.61 -0.17 0.25 0.09 0.00 0.00 178.44 179.18 1ogf h LEU 104 N 1.03 0.00 0.00 1.67 7.12 0.06 -2.39 115.31 122.81 1ogf h LEU 104 Ca 0.34 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.35 1ogf h LEU 104 Cb 0.07 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.20 1ogf h LEU 104 CO -0.11 0.17 0.00 0.35 -0.13 0.00 0.00 178.44 178.72 1ogf n THR 105 N -3.54 0.83 0.03 1.05 -2.24 -0.25 -2.54 114.28 107.63 1ogf n THR 105 Ca -0.01 0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.98 1ogf n THR 105 Cb 0.32 -0.94 0.31 0.00 -2.10 0.00 0.00 70.33 67.91 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 0.46 -0.01 -0.78 1.79 -1.49 -2.42 116.57 114.12 1ogf h LYS 106 Ca 0.00 -0.10 0.00 0.00 -2.18 0.00 0.00 60.65 58.37 1ogf h LYS 106 Cb 0.23 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 30.82 1ogf h LYS 106 CO 0.00 0.53 -0.06 -0.25 -1.08 0.00 0.00 179.45 178.59 1ogf n ASP 107 N -4.27 0.80 -4.76 0.86 8.00 -1.05 -4.90 116.55 111.22 1ogf n ASP 107 Ca 0.01 -1.04 -0.37 0.00 0.71 0.00 0.00 54.79 54.09 1ogf n ASP 107 Cb 0.26 -0.01 0.01 0.00 -0.02 0.00 0.00 41.12 41.36 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 -2.19 2.85 -0.37 2.24 0.00 -0.91 -4.66 121.76 118.71 1ogf s ALA 108 Ca 0.36 1.03 0.26 0.00 0.00 0.00 0.00 51.96 53.61 1ogf s ALA 108 Cb 0.21 -3.44 0.64 0.00 0.00 0.00 0.00 23.12 20.54 1ogf s ALA 108 CO 0.40 -0.92 1.71 0.87 0.00 0.00 0.00 175.76 177.83 1ogf h LYS 109 N 1.66 0.00 -1.20 0.00 1.79 -1.28 -3.45 116.57 114.08 1ogf h LYS 109 Ca -0.50 0.00 0.27 0.00 -2.18 0.00 0.00 60.65 58.24 1ogf h LYS 109 Cb 1.27 0.00 -0.22 0.00 -1.58 0.00 0.00 32.23 31.70 1ogf h LYS 109 CO 0.58 0.00 0.91 0.00 -1.08 0.00 0.00 179.45 179.86 1ogf s ALA 110 N -3.29 -2.13 -0.17 3.86 0.00 -1.26 -4.18 121.76 114.59 1ogf s ALA 110 Ca 0.06 1.80 0.01 0.00 0.00 0.00 0.00 51.96 53.84 1ogf s ALA 110 Cb 0.07 -0.63 0.01 0.00 0.00 0.00 0.00 23.12 22.57 1ogf s ALA 110 CO 0.62 -0.47 -0.19 0.08 0.00 0.00 0.00 175.76 175.80 1ogf s VAL 111 N -1.84 2.19 -0.45 0.00 1.01 0.49 -1.52 120.40 120.27 1ogf s VAL 111 Ca 0.10 -0.91 -0.17 0.00 0.00 0.00 0.00 61.98 60.99 1ogf s VAL 111 Cb -0.01 -1.91 0.04 0.00 0.00 0.00 0.00 36.38 34.51 1ogf s VAL 111 CO -0.04 0.53 0.45 -0.63 0.00 0.00 0.00 175.10 175.41 1ogf s ILE 112 N 1.09 5.10 -0.14 2.22 1.01 0.22 -0.67 121.20 130.03 1ogf s ILE 112 Ca -0.00 -0.62 -0.25 0.00 0.00 0.00 0.00 60.65 59.78 1ogf s ILE 112 Cb -0.14 -4.11 -0.02 0.00 0.01 0.00 0.00 42.46 38.20 1ogf s ILE 112 CO -0.07 -0.54 0.80 -0.60 0.00 0.00 0.00 174.94 174.53 1ogf s ARG 113 N 2.05 4.34 0.48 2.79 3.52 -0.45 -0.73 118.95 130.95 1ogf s ARG 113 Ca 0.10 0.98 0.07 0.00 -0.13 0.00 0.00 55.73 56.75 1ogf s ARG 113 Cb -0.20 -3.54 0.07 0.00 -1.56 0.00 0.00 34.95 29.72 1ogf s ARG 113 CO 0.11 -0.22 0.60 0.25 -0.81 0.00 0.00 175.30 175.23 1ogf n THR 114 N 4.48 0.00 1.12 4.11 -2.24 -0.14 -0.47 114.28 121.14 1ogf n THR 114 Ca 0.03 -1.65 0.13 0.00 -2.27 0.00 0.00 64.05 60.28 1ogf n THR 114 Cb 0.49 -0.50 0.30 0.00 -2.10 0.00 0.00 70.33 68.52 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 -0.81 0.65 3.63 3.38 0.00 0.94 -3.49 105.19 109.50 1ogf n GLY 115 Ca 0.11 -0.58 -0.57 0.00 0.00 0.00 0.00 46.02 44.97 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 0.83 0.75 -1.97 1.61 4.07 -1.16 0.89 120.64 125.66 1ogf n GLU 116 Ca 0.17 0.27 -0.27 0.00 -0.06 0.00 0.00 57.16 57.27 1ogf n GLU 116 Cb 0.48 -1.88 0.03 0.00 -0.06 0.00 0.00 31.44 30.01 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 3.39 2.93 -4.68 4.31 3.01 -1.26 -1.43 117.46 123.73 1ogf n PHE 117 Ca 0.23 -2.47 -0.24 0.00 1.01 0.00 0.00 57.45 55.97 1ogf n PHE 117 Cb 0.11 -0.51 -0.16 0.00 -0.01 0.00 0.00 39.48 38.91 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 -4.78 1.22 0.22 4.37 -4.23 -1.26 -5.04 115.64 106.14 1ogf s THR 118 Ca 0.53 -0.58 -0.31 0.00 -1.18 0.00 0.00 61.69 60.15 1ogf s THR 118 Cb 0.43 -1.06 -0.15 0.00 1.34 0.00 0.00 72.50 73.05 1ogf s THR 118 CO -0.01 0.36 1.05 -0.81 -0.54 0.00 0.00 174.62 174.67 1ogf n PRO 119 N 3.32 1.14 -1.96 3.99 -0.04 -1.26 -2.85 135.00 137.35 1ogf n PRO 119 Ca -0.19 0.40 -0.19 0.00 -0.04 0.00 0.00 63.50 63.48 1ogf n PRO 119 Cb 0.53 -1.81 -0.05 0.00 -0.04 0.00 0.00 33.50 32.13 1ogf n PRO 119 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1ogf n TYR 120 N 0.87 -0.45 -1.81 0.54 4.02 -1.26 -4.51 117.16 114.56 1ogf n TYR 120 Ca 0.13 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.61 1ogf n TYR 120 Cb 0.27 -3.52 -0.01 0.00 -0.02 0.00 0.00 39.34 36.06 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 -0.25 6.52 -2.49 -0.72 0.00 -1.13 -4.69 120.51 117.75 1ogf n ALA 121 Ca -0.21 -3.93 -0.13 0.00 0.00 0.00 0.00 53.44 49.16 1ogf n ALA 121 Cb 0.66 -3.14 -0.11 0.00 0.00 0.00 0.00 19.45 16.86 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 1.52 1.29 0.16 0.00 -0.87 -1.26 -2.29 114.94 113.49 1ogf s ASN 122 Ca 0.55 -0.80 -0.23 0.00 -1.57 0.00 0.00 52.86 50.80 1ogf s ASN 122 Cb 0.16 0.03 0.07 0.00 -0.02 0.00 0.00 41.25 41.48 1ogf s ASN 122 CO -0.06 -0.29 0.63 0.00 -2.57 0.00 0.00 177.10 174.81 1ogf s ILE 124 N -3.72 2.10 -0.24 0.00 1.01 0.05 -1.82 121.20 118.59 1ogf s ILE 124 Ca 0.02 -0.99 -0.09 0.00 0.00 0.00 0.00 60.65 59.59 1ogf s ILE 124 Cb -0.01 -1.82 -0.04 0.00 0.01 0.00 0.00 42.46 40.60 1ogf s ILE 124 CO -0.11 0.55 0.12 -0.76 0.00 0.00 0.00 174.94 174.75 1ogf s LEU 125 N 0.51 3.89 -0.26 2.97 1.43 0.46 -1.78 118.68 125.89 1ogf s LEU 125 Ca -0.15 0.01 -0.09 0.00 -1.03 0.00 0.00 54.13 52.88 1ogf s LEU 125 Cb -0.17 -2.04 -0.04 0.00 0.03 0.00 0.00 46.19 43.97 1ogf s LEU 125 CO 0.05 0.05 0.13 -1.58 0.23 0.00 0.00 176.35 175.22 1ogf s GLN 126 N 1.15 3.81 0.43 1.70 0.74 -0.51 -0.99 119.66 125.99 1ogf s GLN 126 Ca 0.06 -0.40 -0.26 0.00 0.05 0.00 0.00 55.36 54.82 1ogf s GLN 126 Cb -0.14 -3.48 -0.09 0.00 1.10 0.00 0.00 33.01 30.40 1ogf s GLN 126 CO 0.05 -0.16 1.42 0.00 -0.55 0.00 0.00 175.29 176.04 1ogf s ALA 127 N 1.62 3.31 0.00 1.58 0.00 -0.02 -1.47 121.76 126.79 1ogf s ALA 127 Ca 0.07 1.45 0.00 0.00 0.00 0.00 0.00 51.96 53.47 1ogf s ALA 127 Cb -0.15 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.39 1ogf s ALA 127 CO 0.07 -1.10 0.00 0.41 0.00 0.00 0.00 175.76 175.14 1ogf n GLY 128 N 0.57 2.99 3.12 0.00 0.00 0.94 -0.95 105.19 111.87 1ogf n GLY 128 Ca 0.04 -1.97 -0.17 0.00 0.00 0.00 0.00 46.02 43.92 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 2.19 0.89 -2.32 1.61 1.01 -1.26 -4.22 120.40 118.30 1ogf s VAL 129 Ca 0.00 -1.14 0.24 0.00 0.00 0.00 0.00 61.98 61.07 1ogf s VAL 129 Cb 0.00 -0.88 0.51 0.00 0.00 0.00 0.00 36.38 36.02 1ogf s VAL 129 CO 0.00 -0.23 1.66 0.18 0.00 0.00 0.00 175.10 176.70 1ogf n LEU 130 N 1.50 1.41 0.00 3.92 4.77 -1.26 -5.09 117.00 122.25 1ogf n LEU 130 Ca -0.21 -0.55 0.00 0.00 -0.03 0.00 0.00 56.01 55.22 1ogf n LEU 130 Cb 0.55 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 1ogf n LEU 130 CO 0.21 0.27 0.00 2.22 -1.33 0.00 0.00 177.39 178.77