#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ugi h ASN 3 N 0.00 0.10 -0.16 3.42 -0.73 -2.04 1.03 115.58 117.19 1ugi h ASN 3 Ca 0.00 -0.08 0.05 0.00 1.87 0.00 0.00 56.30 58.14 1ugi h ASN 3 Cb 0.00 -0.03 -0.07 0.00 0.27 0.00 0.00 38.32 38.50 1ugi h ASN 3 CO 0.00 0.15 -0.39 -0.07 -0.37 0.00 0.00 177.43 176.75 1ugi h LEU 4 N 0.04 -1.22 -0.60 0.34 3.38 -2.00 0.29 115.31 115.55 1ugi h LEU 4 Ca 0.03 0.17 0.12 0.00 0.09 0.00 0.00 57.88 58.29 1ugi h LEU 4 Cb 0.07 0.51 -0.11 0.00 0.09 0.00 0.00 40.66 41.21 1ugi h LEU 4 CO -0.00 -0.40 -0.16 -1.28 0.09 0.00 0.00 178.44 176.69 1ugi h SER 5 N -0.44 -0.58 -0.29 -0.43 0.87 -1.84 -2.03 113.55 108.81 1ugi h SER 5 Ca 0.09 0.18 0.03 0.00 -1.23 0.00 0.00 61.79 60.86 1ugi h SER 5 Cb 0.60 0.38 -0.03 0.00 -0.44 0.00 0.00 62.40 62.91 1ugi h SER 5 CO -0.41 -0.20 0.12 0.44 -0.53 0.00 0.00 176.83 176.25 1ugi h ASP 6 N -0.01 0.16 -0.78 6.23 3.32 0.23 -0.74 116.42 124.83 1ugi h ASP 6 Ca 0.29 0.02 0.02 0.00 0.02 0.00 0.00 57.03 57.38 1ugi h ASP 6 Cb 0.45 -0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.95 1ugi h ASP 6 CO -0.62 0.13 0.51 0.40 -1.72 0.00 0.00 179.24 177.93 1ugi h ILE 7 N 0.26 1.15 -0.72 0.35 2.04 -0.29 -0.31 117.51 119.99 1ugi h ILE 7 Ca 0.12 -0.34 -0.06 0.00 1.00 0.00 0.00 64.86 65.58 1ugi h ILE 7 Cb 0.07 0.06 -0.03 0.00 -0.74 0.00 0.00 36.82 36.18 1ugi h ILE 7 CO -0.11 0.18 0.22 0.40 0.00 0.00 0.00 178.15 178.85 1ugi h ILE 8 N 1.00 1.26 -0.70 -0.67 1.08 -0.88 -1.60 117.51 117.01 1ugi h ILE 8 Ca 0.30 -0.89 0.01 0.00 -0.39 0.00 0.00 64.86 63.88 1ugi h ILE 8 Cb -0.03 0.48 -0.03 0.00 -3.07 0.00 0.00 36.82 34.17 1ugi h ILE 8 CO -0.10 0.35 0.46 -0.08 -0.69 0.00 0.00 178.15 178.09 1ugi h GLU 9 N 1.06 0.92 -1.06 2.37 4.22 -0.62 -0.80 114.58 120.67 1ugi h GLU 9 Ca 0.23 -0.06 0.30 0.00 0.08 0.00 0.00 59.36 59.91 1ugi h GLU 9 Cb 0.30 -0.21 -0.12 0.00 0.50 0.00 0.00 28.75 29.23 1ugi h GLU 9 CO -0.01 0.62 0.65 -0.22 -2.18 0.00 0.00 179.01 177.87 1ugi h LYS 10 N 0.95 0.38 0.13 1.92 3.64 -0.07 1.47 116.57 124.98 1ugi h LYS 10 Ca 0.25 -0.02 -0.35 0.00 -1.27 0.00 0.00 60.65 59.26 1ugi h LYS 10 Cb -0.10 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.63 1ugi h LYS 10 CO -0.05 0.25 -1.88 1.49 -2.27 0.00 0.00 179.45 176.98 1ugi h GLU 11 N 0.39 0.27 0.00 1.90 4.57 -1.14 -3.41 114.58 117.17 1ugi h GLU 11 Ca 0.68 -0.47 -0.00 0.00 -1.18 0.00 0.00 59.36 58.39 1ugi h GLU 11 Cb 1.61 0.17 -0.00 0.00 -0.16 0.00 0.00 28.75 30.37 1ugi h GLU 11 CO -0.44 1.17 -1.71 0.25 -1.18 0.00 0.00 179.01 177.10 1ugi n THR 12 N -3.47 0.00 -0.98 0.32 -2.24 -0.35 -4.99 114.28 102.59 1ugi n THR 12 Ca -0.28 -0.36 0.00 0.00 -2.27 0.00 0.00 64.05 61.14 1ugi n THR 12 Cb 1.06 0.14 0.00 0.00 -2.10 0.00 0.00 70.33 69.43 1ugi n THR 12 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ugi n GLY 13 N 1.62 0.97 3.42 3.38 0.00 0.49 -5.02 105.19 110.06 1ugi n GLY 13 Ca -0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 1ugi n GLY 13 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ugi s LYS 14 N -0.02 1.86 -0.54 1.61 -0.14 -1.25 -5.02 119.74 116.24 1ugi s LYS 14 Ca 0.00 -1.10 -0.28 0.00 -1.36 0.00 0.00 55.97 53.23 1ugi s LYS 14 Cb 0.00 -2.08 0.03 0.00 -1.68 0.00 0.00 37.83 34.09 1ugi s LYS 14 CO 0.00 0.51 1.21 -0.65 -0.76 0.00 0.00 175.35 175.66 1ugi s GLN 15 N -1.59 3.55 0.28 1.68 -0.21 -1.26 -3.72 119.66 118.40 1ugi s GLN 15 Ca 0.14 0.38 0.07 0.00 0.02 0.00 0.00 55.36 55.98 1ugi s GLN 15 Cb -0.10 -4.00 -0.03 0.00 1.00 0.00 0.00 33.01 29.88 1ugi s GLN 15 CO 0.05 -1.62 0.25 -0.51 -2.12 0.00 0.00 175.29 171.34 1ugi s LEU 16 N 4.95 3.80 -0.01 2.90 1.43 -1.26 -5.08 118.68 125.41 1ugi s LEU 16 Ca 0.46 -0.29 -0.29 0.00 -1.03 0.00 0.00 54.13 52.98 1ugi s LEU 16 Cb -0.08 -2.37 -0.03 0.00 0.03 0.00 0.00 46.19 43.74 1ugi s LEU 16 CO 0.27 -0.15 0.92 0.54 0.23 0.00 0.00 176.35 178.17 1ugi s VAL 17 N -2.17 4.91 -0.25 -1.59 0.11 -1.26 -5.01 120.40 115.13 1ugi s VAL 17 Ca 0.36 1.93 -0.14 0.00 -2.93 0.00 0.00 61.98 61.20 1ugi s VAL 17 Cb -0.07 -4.26 -0.04 0.00 -1.53 0.00 0.00 36.38 30.47 1ugi s VAL 17 CO 0.26 0.18 0.32 -0.63 -3.33 0.00 0.00 175.10 171.90 1ugi s ILE 18 N 0.96 5.22 0.55 7.04 -1.09 -1.26 -4.37 121.20 128.24 1ugi s ILE 18 Ca 0.49 0.49 -0.18 0.00 -2.23 0.00 0.00 60.65 59.22 1ugi s ILE 18 Cb -0.20 -3.65 -0.06 0.00 -1.58 0.00 0.00 42.46 36.96 1ugi s ILE 18 CO 0.26 0.22 1.06 -1.10 -1.23 0.00 0.00 174.94 174.15 1ugi s GLN 19 N 1.72 3.50 0.37 2.79 -0.21 0.13 -4.94 119.66 123.03 1ugi s GLN 19 Ca 0.14 1.33 -0.27 0.00 0.02 0.00 0.00 55.36 56.58 1ugi s GLN 19 Cb -0.15 -2.05 -0.11 0.00 1.00 0.00 0.00 33.01 31.69 1ugi s GLN 19 CO 0.09 -0.68 1.22 0.39 -2.12 0.00 0.00 175.29 174.19 1ugi n GLU 20 N -1.52 1.87 -2.30 2.91 -0.58 -1.26 -4.17 120.64 115.60 1ugi n GLU 20 Ca 0.09 0.66 -0.36 0.00 -0.42 0.00 0.00 57.16 57.14 1ugi n GLU 20 Cb 0.52 -2.26 -0.01 0.00 -0.57 0.00 0.00 31.44 29.13 1ugi n GLU 20 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 1ugi s SER 21 N -0.47 5.95 -0.11 1.62 1.04 -1.26 -4.78 113.70 115.70 1ugi s SER 21 Ca 0.59 2.19 0.02 0.00 0.48 0.00 0.00 55.95 59.23 1ugi s SER 21 Cb -0.56 -2.59 -0.01 0.00 0.10 0.00 0.00 66.02 62.97 1ugi s SER 21 CO 0.60 -1.06 -0.19 -0.63 0.98 0.00 0.00 173.24 172.94 1ugi s ILE 22 N -1.72 2.54 0.18 -1.02 1.01 -0.65 -4.90 121.20 116.64 1ugi s ILE 22 Ca 0.69 -0.85 -0.25 0.00 0.00 0.00 0.00 60.65 60.24 1ugi s ILE 22 Cb -0.24 -2.01 -0.08 0.00 0.01 0.00 0.00 42.46 40.13 1ugi s ILE 22 CO 0.29 0.55 0.78 -0.22 0.00 0.00 0.00 174.94 176.33 1ugi s LEU 23 N 0.26 4.55 -0.04 2.97 0.20 -1.26 -0.41 118.68 124.95 1ugi s LEU 23 Ca -0.13 1.63 0.05 0.00 0.69 0.00 0.00 54.13 56.37 1ugi s LEU 23 Cb -0.16 -3.37 -0.01 0.00 -0.43 0.00 0.00 46.19 42.22 1ugi s LEU 23 CO 0.07 0.17 -0.19 -0.04 -0.29 0.00 0.00 176.35 176.07 1ugi s MET 24 N -1.30 1.84 0.52 1.98 -1.94 0.45 -4.96 119.30 115.89 1ugi s MET 24 Ca 0.37 -0.66 -0.18 0.00 -1.71 0.00 0.00 55.69 53.51 1ugi s MET 24 Cb -0.22 -1.62 -0.07 0.00 2.01 0.00 0.00 34.83 34.92 1ugi s MET 24 CO 0.25 0.29 1.02 -0.51 -0.01 0.00 0.00 175.02 176.07 1ugi s LEU 25 N -0.08 3.70 0.42 -0.03 1.43 -1.26 -1.45 118.68 121.41 1ugi s LEU 25 Ca -0.02 1.79 0.20 0.00 -1.03 0.00 0.00 54.13 55.07 1ugi s LEU 25 Cb -0.11 -4.54 1.15 0.00 0.03 0.00 0.00 46.19 42.72 1ugi s LEU 25 CO 0.02 -0.81 1.81 -0.65 0.23 0.00 0.00 176.35 176.95 1ugi h PRO 26 N 1.11 0.34 0.00 1.29 0.11 -1.88 0.24 132.00 133.21 1ugi h PRO 26 Ca -0.48 -0.02 -0.15 0.00 0.11 0.00 0.00 66.00 65.46 1ugi h PRO 26 Cb 1.21 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 1ugi h PRO 26 CO 0.59 0.23 -0.71 0.93 -0.21 0.00 0.00 178.00 178.83 1ugi h GLU 27 N 0.35 0.00 -0.38 1.05 3.07 -1.93 -0.19 114.58 116.55 1ugi h GLU 27 Ca 0.54 0.00 -0.06 0.00 -0.50 0.00 0.00 59.36 59.34 1ugi h GLU 27 Cb 1.45 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.35 1ugi h GLU 27 CO -0.22 0.71 0.01 0.93 -1.40 0.00 0.00 179.01 179.04 1ugi h GLU 28 N 0.00 0.67 -0.38 2.33 5.08 -1.36 -2.60 114.58 118.32 1ugi h GLU 28 Ca -0.01 -0.21 -0.11 0.00 -1.00 0.00 0.00 59.36 58.04 1ugi h GLU 28 Cb 1.49 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.67 1ugi h GLU 28 CO 0.09 0.76 -0.18 0.28 -1.00 0.00 0.00 179.01 178.97 1ugi h VAL 29 N 0.50 1.28 -0.88 3.13 2.07 -1.06 -2.98 116.25 118.32 1ugi h VAL 29 Ca 0.11 -1.31 0.10 0.00 0.82 0.00 0.00 66.70 66.43 1ugi h VAL 29 Cb 0.45 1.31 -0.08 0.00 -1.52 0.00 0.00 31.29 31.46 1ugi h VAL 29 CO 0.02 0.43 0.51 -0.08 0.02 0.00 0.00 177.57 178.48 1ugi h GLU 30 N 0.59 0.81 -0.89 1.57 4.81 -0.99 -0.32 114.58 120.17 1ugi h GLU 30 Ca 0.09 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 1ugi h GLU 30 Cb 0.73 -0.18 -0.04 0.00 0.63 0.00 0.00 28.75 29.88 1ugi h GLU 30 CO 0.05 0.54 0.51 1.49 -0.73 0.00 0.00 179.01 180.87 1ugi h GLU 31 N 0.84 1.22 -0.01 1.92 4.57 -1.31 0.90 114.58 122.72 1ugi h GLU 31 Ca 0.43 -0.13 -0.23 0.00 -1.18 0.00 0.00 59.36 58.25 1ugi h GLU 31 Cb 0.42 -0.25 0.02 0.00 -0.16 0.00 0.00 28.75 28.78 1ugi h GLU 31 CO -0.26 0.88 -0.88 0.28 -1.18 0.00 0.00 179.01 177.85 1ugi h VAL 32 N 1.23 1.33 0.01 0.32 2.07 -1.32 -3.39 116.25 116.49 1ugi h VAL 32 Ca 0.32 -2.17 -0.37 0.00 0.82 0.00 0.00 66.70 65.30 1ugi h VAL 32 Cb -0.01 2.42 -0.07 0.00 -1.52 0.00 0.00 31.29 32.12 1ugi h VAL 32 CO -0.05 0.66 -2.34 -0.38 0.02 0.00 0.00 177.57 175.47 1ugi n ILE 33 N -3.98 1.47 -0.61 4.57 2.08 -0.20 -4.99 119.36 117.69 1ugi n ILE 33 Ca -0.11 -0.74 0.00 0.00 0.56 0.00 0.00 62.75 62.46 1ugi n ILE 33 Cb 0.80 -0.92 0.00 0.00 -0.75 0.00 0.00 39.64 38.77 1ugi n ILE 33 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1ugi n GLY 34 N 1.93 0.70 3.07 7.39 0.00 0.31 -5.05 105.19 113.53 1ugi n GLY 34 Ca -0.36 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.47 1ugi n GLY 34 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ugi s ASN 35 N -2.07 1.24 -0.31 1.61 -0.87 -1.26 -5.06 114.94 108.22 1ugi s ASN 35 Ca 0.00 -0.31 -0.12 0.00 -1.57 0.00 0.00 52.86 50.86 1ugi s ASN 35 Cb 0.00 -0.10 -0.03 0.00 -0.02 0.00 0.00 41.25 41.10 1ugi s ASN 35 CO 0.00 0.05 0.24 -0.75 -2.57 0.00 0.00 177.10 174.06 1ugi s LYS 36 N -0.69 3.74 0.75 -0.60 2.20 -1.26 -3.61 119.74 120.28 1ugi s LYS 36 Ca 0.01 -0.43 -0.11 0.00 -0.36 0.00 0.00 55.97 55.08 1ugi s LYS 36 Cb -0.06 -3.73 0.04 0.00 -1.51 0.00 0.00 37.83 32.57 1ugi s LYS 36 CO 0.00 -0.32 1.08 -1.25 -0.36 0.00 0.00 175.35 174.50 1ugi s PRO 37 N 1.79 2.46 0.23 4.03 0.04 -1.26 -4.92 135.00 137.36 1ugi s PRO 37 Ca 0.08 0.96 0.03 0.00 0.04 0.00 0.00 61.00 62.10 1ugi s PRO 37 Cb -0.17 -1.94 0.23 0.00 0.04 0.00 0.00 34.50 32.67 1ugi s PRO 37 CO 0.11 -1.44 1.55 1.49 0.04 0.00 0.00 177.00 178.75 1ugi h GLU 38 N -0.97 0.30 0.00 4.56 4.57 -1.98 -3.46 114.58 117.60 1ugi h GLU 38 Ca -0.45 -0.20 0.00 0.00 -1.18 0.00 0.00 59.36 57.53 1ugi h GLU 38 Cb 1.23 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.85 1ugi h GLU 38 CO 0.55 0.80 0.00 -1.13 -1.18 0.00 0.00 179.01 178.05 1ugi n SER 39 N -3.89 0.97 -4.77 1.04 3.41 -1.26 -5.02 113.62 104.10 1ugi n SER 39 Ca -0.03 0.00 -0.35 0.00 -0.26 0.00 0.00 58.87 58.24 1ugi n SER 39 Cb 0.61 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.58 1ugi n SER 39 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1ugi s ASP 40 N 1.00 5.53 -0.00 4.04 1.01 -1.26 -4.13 116.67 122.86 1ugi s ASP 40 Ca 0.00 2.20 0.06 0.00 0.71 0.00 0.00 52.55 55.52 1ugi s ASP 40 Cb 0.00 -2.58 -0.03 0.00 1.01 0.00 0.00 42.92 41.32 1ugi s ASP 40 CO 0.00 -1.35 -0.17 -0.63 0.21 0.00 0.00 175.17 173.23 1ugi s ILE 41 N -1.81 2.84 -0.16 0.77 -1.09 -0.53 -3.40 121.20 117.82 1ugi s ILE 41 Ca 0.73 -0.99 -0.09 0.00 -2.23 0.00 0.00 60.65 58.07 1ugi s ILE 41 Cb -0.25 -2.14 -0.05 0.00 -1.58 0.00 0.00 42.46 38.44 1ugi s ILE 41 CO 0.30 0.46 0.14 -0.76 -1.23 0.00 0.00 174.94 173.85 1ugi s LEU 42 N -1.08 4.30 -0.26 2.97 1.43 0.13 -0.41 118.68 125.75 1ugi s LEU 42 Ca 0.13 0.35 -0.07 0.00 -1.03 0.00 0.00 54.13 53.51 1ugi s LEU 42 Cb -0.10 -2.10 -0.03 0.00 0.03 0.00 0.00 46.19 43.99 1ugi s LEU 42 CO 0.03 0.28 0.08 -0.69 0.23 0.00 0.00 176.35 176.28 1ugi s VAL 43 N -0.28 4.32 -0.32 -1.59 1.01 0.45 -0.95 120.40 123.05 1ugi s VAL 43 Ca 0.12 -0.21 -0.05 0.00 0.00 0.00 0.00 61.98 61.83 1ugi s VAL 43 Cb -0.12 -3.04 0.04 0.00 0.00 0.00 0.00 36.38 33.26 1ugi s VAL 43 CO 0.01 0.31 0.07 -1.00 0.00 0.00 0.00 175.10 174.48 1ugi s HIS 44 N 1.61 3.23 0.07 5.22 0.09 -0.15 -1.64 115.29 123.73 1ugi s HIS 44 Ca 0.06 -1.49 0.03 0.00 -0.00 0.00 0.00 55.06 53.66 1ugi s HIS 44 Cb -0.15 -2.22 -0.04 0.00 -0.00 0.00 0.00 32.58 30.17 1ugi s HIS 44 CO 0.04 -0.73 0.04 0.99 -0.00 0.00 0.00 174.74 175.08 1ugi s THR 45 N 1.37 4.31 0.06 1.30 2.01 -1.26 -0.90 115.64 122.53 1ugi s THR 45 Ca -0.02 -0.83 0.04 0.00 0.31 0.00 0.00 61.69 61.19 1ugi s THR 45 Cb -0.19 -3.05 -0.03 0.00 0.01 0.00 0.00 72.50 69.24 1ugi s THR 45 CO 0.01 0.15 -0.11 0.00 -0.69 0.00 0.00 174.62 173.99 1ugi s ALA 46 N -1.33 0.90 -0.16 7.40 0.00 -0.26 0.21 121.76 128.53 1ugi s ALA 46 Ca 0.27 -0.93 -0.01 0.00 0.00 0.00 0.00 51.96 51.29 1ugi s ALA 46 Cb -0.12 -0.02 -0.01 0.00 0.00 0.00 0.00 23.12 22.98 1ugi s ALA 46 CO 0.19 0.05 -0.12 -0.47 0.00 0.00 0.00 175.76 175.42 1ugi s TYR 47 N -1.50 2.84 -0.52 0.00 5.04 -1.26 -1.04 117.35 120.91 1ugi s TYR 47 Ca -0.04 -0.83 -0.18 0.00 -2.44 0.00 0.00 57.07 53.57 1ugi s TYR 47 Cb -0.09 -1.92 0.07 0.00 0.35 0.00 0.00 41.96 40.37 1ugi s TYR 47 CO 0.01 -0.36 0.60 0.34 -1.34 0.00 0.00 175.55 174.80 1ugi s ASP 48 N 0.74 6.20 0.44 4.32 -1.08 0.56 -4.85 116.67 123.02 1ugi s ASP 48 Ca -0.05 -1.09 0.24 0.00 -0.52 0.00 0.00 52.55 51.13 1ugi s ASP 48 Cb -0.15 -2.28 0.90 0.00 -1.46 0.00 0.00 42.92 39.93 1ugi s ASP 48 CO 0.01 -0.90 1.81 -0.33 0.52 0.00 0.00 175.17 176.29 1ugi h GLU 49 N 8.99 0.00 -0.05 4.34 5.08 -1.96 0.83 114.58 131.82 1ugi h GLU 49 Ca -0.28 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 57.95 1ugi h GLU 49 Cb 1.10 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.33 1ugi h GLU 49 CO 0.98 0.21 -0.58 0.77 -1.00 0.00 0.00 179.01 179.40 1ugi h SER 50 N 0.00 0.17 -0.00 1.42 0.02 -1.96 -3.16 113.55 110.04 1ugi h SER 50 Ca -0.00 -0.09 0.00 0.00 -0.84 0.00 0.00 61.79 60.85 1ugi h SER 50 Cb 0.77 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.26 1ugi h SER 50 CO 0.03 0.71 -0.33 0.35 -1.14 0.00 0.00 176.83 176.45 1ugi n THR 51 N -3.88 0.00 -3.46 -2.27 -2.24 -1.15 -5.01 114.28 96.27 1ugi n THR 51 Ca -0.02 -0.33 -0.19 0.00 -2.27 0.00 0.00 64.05 61.24 1ugi n THR 51 Cb 0.59 1.05 0.09 0.00 -2.10 0.00 0.00 70.33 69.96 1ugi n THR 51 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1ugi n ASP 52 N -0.78 -3.33 -4.22 3.42 2.03 0.28 -4.81 116.55 109.14 1ugi n ASP 52 Ca 0.03 -0.59 -0.28 0.00 0.52 0.00 0.00 54.79 54.47 1ugi n ASP 52 Cb 0.17 -5.03 -0.16 0.00 -0.72 0.00 0.00 41.12 35.38 1ugi n ASP 52 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1ugi s GLU 53 N -5.63 1.82 0.03 -0.67 2.02 -0.59 -3.22 118.70 112.46 1ugi s GLU 53 Ca 0.17 -0.75 -0.21 0.00 0.02 0.00 0.00 54.97 54.21 1ugi s GLU 53 Cb -0.08 -1.69 -0.06 0.00 0.10 0.00 0.00 34.13 32.40 1ugi s GLU 53 CO 0.72 0.41 0.63 -0.80 0.02 0.00 0.00 175.26 176.24 1ugi s ASN 54 N -0.36 7.05 -0.28 -0.19 -0.87 -0.47 -0.32 114.94 119.50 1ugi s ASN 54 Ca 0.05 1.25 -0.00 0.00 -1.57 0.00 0.00 52.86 52.59 1ugi s ASN 54 Cb -0.09 -2.39 0.05 0.00 -0.02 0.00 0.00 41.25 38.80 1ugi s ASN 54 CO 0.00 0.12 -0.05 -0.69 -2.57 0.00 0.00 177.10 173.92 1ugi s VAL 55 N -0.39 2.72 -0.28 1.60 1.01 -0.20 -0.81 120.40 124.04 1ugi s VAL 55 Ca 0.32 -1.38 -0.07 0.00 0.00 0.00 0.00 61.98 60.85 1ugi s VAL 55 Cb -0.19 -2.53 -0.00 0.00 0.00 0.00 0.00 36.38 33.66 1ugi s VAL 55 CO 0.19 -0.02 0.09 -0.04 0.00 0.00 0.00 175.10 175.32 1ugi s MET 56 N 1.22 3.29 -0.26 2.72 -1.94 0.27 -1.10 119.30 123.51 1ugi s MET 56 Ca -0.05 -0.73 -0.15 0.00 -1.71 0.00 0.00 55.69 53.05 1ugi s MET 56 Cb -0.19 -3.39 -0.04 0.00 2.01 0.00 0.00 34.83 33.22 1ugi s MET 56 CO -0.03 -0.37 0.39 -1.17 -0.01 0.00 0.00 175.02 173.83 1ugi s LEU 57 N 1.55 4.06 -0.23 -0.03 2.96 -0.07 -0.63 118.68 126.29 1ugi s LEU 57 Ca 0.04 0.34 -0.09 0.00 -0.22 0.00 0.00 54.13 54.21 1ugi s LEU 57 Cb -0.17 -2.46 -0.04 0.00 0.50 0.00 0.00 46.19 44.03 1ugi s LEU 57 CO 0.03 -0.17 0.11 -0.76 -1.32 0.00 0.00 176.35 174.24 1ugi s LEU 58 N 1.96 3.81 0.28 -0.68 1.02 0.45 -0.98 118.68 124.54 1ugi s LEU 58 Ca 0.16 -0.00 0.05 0.00 0.02 0.00 0.00 54.13 54.36 1ugi s LEU 58 Cb -0.16 -2.01 -0.06 0.00 0.02 0.00 0.00 46.19 43.99 1ugi s LEU 58 CO 0.09 0.06 -0.02 0.42 0.02 0.00 0.00 176.35 176.92 1ugi s THR 59 N 1.08 1.42 1.02 5.49 -4.23 -0.12 -0.57 115.64 119.72 1ugi s THR 59 Ca 0.05 -2.08 -0.13 0.00 -1.18 0.00 0.00 61.69 58.35 1ugi s THR 59 Cb -0.14 -2.48 0.20 0.00 1.34 0.00 0.00 72.50 71.42 1ugi s THR 59 CO 0.04 -0.26 1.11 -0.94 -0.54 0.00 0.00 174.62 174.03 1ugi s SER 60 N -3.42 2.51 1.07 3.99 1.04 -0.17 0.17 113.70 118.90 1ugi s SER 60 Ca 0.30 1.03 -0.17 0.00 0.48 0.00 0.00 55.95 57.59 1ugi s SER 60 Cb 0.05 -1.61 0.24 0.00 0.10 0.00 0.00 66.02 64.79 1ugi s SER 60 CO 0.12 -3.18 1.21 -0.62 0.98 0.00 0.00 173.24 171.75 1ugi s ASP 61 N -3.65 2.12 0.68 7.02 -1.08 -1.22 -3.62 116.67 116.92 1ugi s ASP 61 Ca 0.66 0.48 -0.17 0.00 -0.52 0.00 0.00 52.55 53.00 1ugi s ASP 61 Cb -0.16 -0.64 -0.01 0.00 -1.46 0.00 0.00 42.92 40.64 1ugi s ASP 61 CO 0.56 -3.36 0.98 0.00 0.52 0.00 0.00 175.17 173.87 1ugi n ALA 62 N -4.23 -0.03 1.18 3.66 0.00 -1.26 -1.92 120.51 117.92 1ugi n ALA 62 Ca 0.14 -0.11 0.13 0.00 0.00 0.00 0.00 53.44 53.59 1ugi n ALA 62 Cb 0.59 -2.12 0.38 0.00 0.00 0.00 0.00 19.45 18.30 1ugi n ALA 62 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1ugi n PRO 63 N -1.58 0.52 -0.03 0.00 -0.04 -1.26 -4.82 135.00 127.79 1ugi n PRO 63 Ca 0.14 -0.28 -0.14 0.00 -0.04 0.00 0.00 63.50 63.17 1ugi n PRO 63 Cb 0.49 -1.49 -0.09 0.00 -0.04 0.00 0.00 33.50 32.36 1ugi n PRO 63 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1ugi h GLU 64 N 0.69 0.21 -6.41 0.54 3.07 -1.89 -3.47 114.58 107.32 1ugi h GLU 64 Ca 0.00 -0.14 -0.49 0.00 -0.50 0.00 0.00 59.36 58.23 1ugi h GLU 64 Cb 0.48 0.02 -0.06 0.00 -0.84 0.00 0.00 28.75 28.35 1ugi h GLU 64 CO 0.00 0.74 -0.82 0.66 -1.40 0.00 0.00 179.01 178.19 1ugi n TYR 65 N -4.61 -1.96 -2.22 4.33 4.01 -0.81 -4.88 117.16 111.02 1ugi n TYR 65 Ca -0.08 0.83 -0.42 0.00 -0.16 0.00 0.00 57.90 58.07 1ugi n TYR 65 Cb 0.38 -3.77 -0.03 0.00 -0.31 0.00 0.00 39.34 35.62 1ugi n TYR 65 CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 1ugi s LYS 66 N -6.56 4.28 0.39 -0.72 2.20 -1.26 -4.52 119.74 113.55 1ugi s LYS 66 Ca 0.41 1.97 -0.27 0.00 -0.36 0.00 0.00 55.97 57.72 1ugi s LYS 66 Cb -0.21 -3.57 -0.09 0.00 -1.51 0.00 0.00 37.83 32.44 1ugi s LYS 66 CO 0.86 -0.57 1.34 -2.14 -0.36 0.00 0.00 175.35 174.48 1ugi s PRO 67 N 2.39 4.06 0.00 4.03 0.02 -1.26 -0.99 135.00 143.24 1ugi s PRO 67 Ca 0.64 2.25 0.00 0.00 0.02 0.00 0.00 61.00 63.91 1ugi s PRO 67 Cb -0.31 -2.86 0.00 0.00 0.02 0.00 0.00 34.50 31.35 1ugi s PRO 67 CO 0.26 -0.45 0.00 1.87 -0.33 0.00 0.00 177.00 178.36 1ugi n TRP 68 N 0.32 0.00 -3.59 6.54 -0.00 0.27 -4.77 117.44 116.21 1ugi n TRP 68 Ca 0.02 0.00 -0.11 0.00 -0.00 0.00 0.00 57.50 57.42 1ugi n TRP 68 Cb 0.42 0.08 -0.04 0.00 -0.00 0.00 0.00 31.31 31.77 1ugi n TRP 68 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1ugi s ALA 69 N -1.94 -1.06 -0.08 5.87 0.00 -1.03 -0.77 121.76 122.75 1ugi s ALA 69 Ca 0.00 0.07 0.03 0.00 0.00 0.00 0.00 51.96 52.07 1ugi s ALA 69 Cb 0.00 0.71 -0.02 0.00 0.00 0.00 0.00 23.12 23.81 1ugi s ALA 69 CO 0.00 -0.66 -0.18 -0.51 0.00 0.00 0.00 175.76 174.41 1ugi s LEU 70 N -2.75 2.47 -0.17 0.00 1.43 0.36 -0.41 118.68 119.60 1ugi s LEU 70 Ca 0.02 -0.36 0.01 0.00 -1.03 0.00 0.00 54.13 52.77 1ugi s LEU 70 Cb 0.01 -1.50 0.03 0.00 0.03 0.00 0.00 46.19 44.76 1ugi s LEU 70 CO -0.12 0.25 -0.15 -0.69 0.23 0.00 0.00 176.35 175.87 1ugi s VAL 71 N -0.16 1.79 -0.29 -1.59 1.01 0.20 0.10 120.40 121.46 1ugi s VAL 71 Ca -0.02 -0.85 -0.08 0.00 0.00 0.00 0.00 61.98 61.03 1ugi s VAL 71 Cb -0.14 -1.69 -0.01 0.00 0.00 0.00 0.00 36.38 34.55 1ugi s VAL 71 CO 0.04 0.42 0.10 -0.63 0.00 0.00 0.00 175.10 175.03 1ugi s ILE 72 N 1.38 4.29 -0.15 2.22 1.09 0.17 -0.57 121.20 129.63 1ugi s ILE 72 Ca 0.03 -0.47 -0.05 0.00 -1.10 0.00 0.00 60.65 59.07 1ugi s ILE 72 Cb -0.14 -3.15 -0.03 0.00 -1.06 0.00 0.00 42.46 38.08 1ugi s ILE 72 CO -0.11 0.14 0.01 -1.58 -0.10 0.00 0.00 174.94 173.30 1ugi s GLN 73 N 1.57 3.68 0.84 2.79 0.74 0.01 -1.14 119.66 128.15 1ugi s GLN 73 Ca 0.04 -0.42 -0.07 0.00 0.05 0.00 0.00 55.36 54.96 1ugi s GLN 73 Cb -0.17 -3.02 0.18 0.00 1.10 0.00 0.00 33.01 31.10 1ugi s GLN 73 CO 0.04 0.34 1.15 -0.40 -0.55 0.00 0.00 175.29 175.87 1ugi n ASP 74 N 3.27 0.86 0.32 6.67 5.68 -0.33 -1.37 116.55 131.65 1ugi n ASP 74 Ca -0.17 -1.89 0.21 0.00 -0.50 0.00 0.00 54.79 52.44 1ugi n ASP 74 Cb 0.53 -0.80 1.11 0.00 -1.14 0.00 0.00 41.12 40.81 1ugi n ASP 74 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 1ugi h SER 75 N -1.07 0.00 0.00 -1.12 4.64 -1.86 -0.67 113.55 113.47 1ugi h SER 75 Ca -0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 1ugi h SER 75 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1ugi h SER 75 CO 0.34 0.01 -0.03 0.59 -0.87 0.00 0.00 176.83 176.87 1ugi n ASN 76 N -3.24 1.69 0.00 4.97 5.03 -1.26 -4.93 115.26 117.52 1ugi n ASN 76 Ca -0.03 -1.53 0.00 0.00 0.87 0.00 0.00 54.58 53.90 1ugi n ASN 76 Cb 0.10 0.02 0.00 0.00 -1.02 0.00 0.00 39.78 38.88 1ugi n ASN 76 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1ugi n GLY 77 N 1.22 0.64 3.71 7.41 0.00 -0.26 -5.05 105.19 112.87 1ugi n GLY 77 Ca 0.18 -0.51 -0.38 0.00 0.00 0.00 0.00 46.02 45.30 1ugi n GLY 77 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ugi s GLU 78 N -1.02 4.31 0.02 1.61 2.02 -1.26 -4.83 118.70 119.54 1ugi s GLU 78 Ca 0.00 0.42 -0.15 0.00 0.02 0.00 0.00 54.97 55.26 1ugi s GLU 78 Cb 0.00 -3.46 -0.06 0.00 0.10 0.00 0.00 34.13 30.71 1ugi s GLU 78 CO 0.00 0.11 0.43 -0.80 0.02 0.00 0.00 175.26 175.02 1ugi s ASN 79 N 0.71 6.83 -0.20 -0.19 0.02 -1.26 -1.19 114.94 119.65 1ugi s ASN 79 Ca 0.25 0.99 0.01 0.00 -1.02 0.00 0.00 52.86 53.08 1ugi s ASN 79 Cb -0.15 -2.26 0.03 0.00 0.02 0.00 0.00 41.25 38.89 1ugi s ASN 79 CO 0.10 0.30 -0.17 -0.75 0.02 0.00 0.00 177.10 176.60 1ugi s LYS 80 N -1.18 2.88 -0.18 -0.60 2.20 -0.29 -4.98 119.74 117.59 1ugi s LYS 80 Ca 0.26 -0.91 -0.09 0.00 -0.36 0.00 0.00 55.97 54.86 1ugi s LYS 80 Cb -0.17 -2.68 -0.05 0.00 -1.51 0.00 0.00 37.83 33.43 1ugi s LYS 80 CO 0.15 -0.28 0.14 0.42 -0.36 0.00 0.00 175.35 175.41 1ugi s ILE 81 N 1.27 5.43 -0.25 5.43 1.01 -1.26 -0.66 121.20 132.18 1ugi s ILE 81 Ca 0.02 0.21 0.01 0.00 0.00 0.00 0.00 60.65 60.89 1ugi s ILE 81 Cb -0.14 -3.46 0.04 0.00 0.01 0.00 0.00 42.46 38.91 1ugi s ILE 81 CO -0.11 0.48 -0.10 -0.54 0.00 0.00 0.00 174.94 174.68 1ugi s LYS 82 N 0.03 2.58 0.25 2.79 1.02 0.12 -4.98 119.74 121.55 1ugi s LYS 82 Ca 0.10 -1.13 -0.30 0.00 0.02 0.00 0.00 55.97 54.66 1ugi s LYS 82 Cb -0.11 -2.89 -0.09 0.00 -0.52 0.00 0.00 37.83 34.21 1ugi s LYS 82 CO -0.00 -0.46 1.04 -1.64 -0.92 0.00 0.00 175.35 173.37 1ugi s MET 83 N 1.22 4.72 0.00 1.68 -1.94 -1.26 -0.48 119.30 123.23 1ugi s MET 83 Ca -0.03 1.68 0.20 0.00 -1.71 0.00 0.00 55.69 55.82 1ugi s MET 83 Cb -0.18 -3.23 0.16 0.00 2.01 0.00 0.00 34.83 33.59 1ugi s MET 83 CO -0.06 0.31 1.12 1.28 -0.01 0.00 0.00 175.02 177.66