#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f42 s ASP 2 N 0.00 1.52 0.24 4.39 1.47 -1.26 -5.13 116.67 117.90 3f42 s ASP 2 Ca 0.00 -1.72 -0.02 0.00 1.18 0.00 0.00 52.55 51.99 3f42 s ASP 2 Cb 0.00 0.54 0.28 0.00 -0.34 0.00 0.00 42.92 43.40 3f42 s ASP 2 CO 0.00 -1.04 1.70 0.15 0.68 0.00 0.00 175.17 176.65 3f42 h PHE 3 N 2.19 0.81 -0.74 2.11 3.57 -2.05 -0.80 116.94 122.02 3f42 h PHE 3 Ca -0.26 -0.15 -0.03 0.00 3.53 0.00 0.00 57.97 61.06 3f42 h PHE 3 Cb 1.23 -0.21 -0.03 0.00 2.79 0.00 0.00 35.95 39.73 3f42 h PHE 3 CO 1.57 0.83 0.35 0.77 -2.23 0.00 0.00 178.31 179.60 3f42 h SER 4 N 0.66 0.98 -0.68 0.41 0.02 -2.06 -0.70 113.55 112.19 3f42 h SER 4 Ca 0.11 -0.14 -0.05 0.00 -0.84 0.00 0.00 61.79 60.87 3f42 h SER 4 Cb 0.61 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.87 3f42 h SER 4 CO 0.04 0.84 0.22 1.56 -1.14 0.00 0.00 176.83 178.35 3f42 h GLN 5 N 1.04 1.05 -0.72 3.45 4.20 -1.84 -1.30 115.11 120.99 3f42 h GLN 5 Ca 0.25 -0.22 -0.02 0.00 0.06 0.00 0.00 58.65 58.72 3f42 h GLN 5 Cb 0.13 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 27.73 3f42 h GLN 5 CO -0.03 0.91 0.38 1.25 -0.67 0.00 0.00 178.83 180.67 3f42 h LEU 6 N 0.98 0.91 -0.82 1.46 5.85 -0.75 -0.02 115.31 122.92 3f42 h LEU 6 Ca 0.22 -0.10 -0.06 0.00 0.84 0.00 0.00 57.88 58.77 3f42 h LEU 6 Cb 0.29 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 3f42 h LEU 6 CO -0.01 0.75 0.18 1.23 -0.34 0.00 0.00 178.44 180.26 3f42 h GLY 7 N 0.99 1.15 0.95 3.75 0.00 -0.78 -0.10 103.07 109.03 3f42 h GLY 7 Ca 0.25 -0.69 -0.03 0.00 0.00 0.00 0.00 47.33 46.86 3f42 h GLY 7 CO -0.04 0.65 0.16 -1.33 0.00 0.00 0.00 176.54 175.98 3f42 h GLY 8 N 1.07 0.70 1.00 4.60 0.00 -0.80 -0.55 103.07 109.09 3f42 h GLY 8 Ca 0.22 -0.39 0.00 0.00 0.00 0.00 0.00 47.33 47.16 3f42 h GLY 8 CO -0.00 0.37 0.24 -2.00 0.00 0.00 0.00 176.54 175.15 3f42 h LEU 9 N 0.55 0.44 -0.69 3.11 5.85 -0.71 -0.86 115.31 123.00 3f42 h LEU 9 Ca 0.14 -0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.83 3f42 h LEU 9 Cb 0.22 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 3f42 h LEU 9 CO -0.01 0.34 0.43 -0.07 -0.34 0.00 0.00 178.44 178.78 3f42 h LEU 10 N 0.51 0.82 -0.57 2.25 3.38 -0.84 -2.73 115.31 118.13 3f42 h LEU 10 Ca 0.14 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 3f42 h LEU 10 Cb -0.04 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 3f42 h LEU 10 CO -0.03 0.63 0.18 0.44 0.09 0.00 0.00 178.44 179.75 3f42 h ASP 11 N 0.94 0.82 0.00 -0.43 3.32 -0.91 -0.48 116.42 119.68 3f42 h ASP 11 Ca 0.25 -0.20 0.00 0.00 0.02 0.00 0.00 57.03 57.10 3f42 h ASP 11 Cb -0.05 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.29 3f42 h ASP 11 CO -0.05 0.81 0.00 0.61 -1.72 0.00 0.00 179.24 178.89 3f42 n GLY 12 N -0.72 0.32 0.14 2.75 0.00 -0.34 -1.27 105.19 106.07 3f42 n GLY 12 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 3f42 n GLY 12 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3f42 n LYS 14 N 0.62 0.00 -0.01 1.61 4.81 -0.19 -1.36 118.16 123.64 3f42 n LYS 14 Ca 0.00 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.32 3f42 n LYS 14 Cb 0.07 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 35.05 3f42 n LYS 14 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 3f42 h LYS 15 N 0.00 0.12 -0.50 1.64 3.64 -1.44 -1.71 116.57 118.33 3f42 h LYS 15 Ca 0.00 -0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.37 3f42 h LYS 15 Cb 0.00 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.77 3f42 h LYS 15 CO 0.00 0.31 0.30 1.49 -2.27 0.00 0.00 179.45 179.29 3f42 h GLU 16 N -0.08 0.59 -0.25 1.90 4.81 -1.49 -1.50 114.58 118.55 3f42 h GLU 16 Ca 0.02 -0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.25 3f42 h GLU 16 Cb 0.24 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.46 3f42 h GLU 16 CO 0.00 0.39 0.07 0.35 -0.73 0.00 0.00 179.01 179.09 3f42 h PHE 17 N 0.61 0.12 -0.64 0.92 3.57 -1.79 -0.43 116.94 119.30 3f42 h PHE 17 Ca 0.20 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.68 3f42 h PHE 17 Cb 0.00 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 38.70 3f42 h PHE 17 CO -0.06 0.05 0.25 0.77 -2.23 0.00 0.00 178.31 177.09 3f42 h SER 18 N 0.17 0.85 -0.55 0.41 0.02 -1.02 -0.02 113.55 113.42 3f42 h SER 18 Ca 0.11 -0.12 -0.04 0.00 -0.84 0.00 0.00 61.79 60.90 3f42 h SER 18 Cb 0.10 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.39 3f42 h SER 18 CO -0.13 0.77 0.17 1.56 -1.14 0.00 0.00 176.83 178.06 3f42 h GLN 19 N 0.92 0.85 -0.70 3.45 4.20 -0.87 -1.85 115.11 121.11 3f42 h GLN 19 Ca 0.22 -0.18 -0.07 0.00 0.06 0.00 0.00 58.65 58.67 3f42 h GLN 19 Cb 0.18 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 27.81 3f42 h GLN 19 CO -0.02 0.78 0.15 -0.07 -0.67 0.00 0.00 178.83 179.00 3f42 h LEU 20 N 0.76 1.08 -0.81 1.46 3.38 -0.81 -2.52 115.31 117.85 3f42 h LEU 20 Ca 0.18 -0.24 -0.07 0.00 0.09 0.00 0.00 57.88 57.83 3f42 h LEU 20 Cb 0.28 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 3f42 h LEU 20 CO -0.01 1.04 0.08 -0.33 0.09 0.00 0.00 178.44 179.32 3f42 h GLU 21 N 1.06 0.98 -0.45 1.13 4.39 -0.81 0.13 114.58 121.01 3f42 h GLU 21 Ca 0.22 -0.25 0.02 0.00 0.34 0.00 0.00 59.36 59.68 3f42 h GLU 21 Cb 0.39 -0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 28.90 3f42 h GLU 21 CO 0.01 0.92 0.28 0.93 -1.16 0.00 0.00 179.01 179.98 3f42 h GLU 22 N 0.92 0.55 -0.45 2.33 5.08 -1.23 -0.30 114.58 121.47 3f42 h GLU 22 Ca 0.18 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.50 3f42 h GLU 22 Cb 0.42 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 3f42 h GLU 22 CO 0.01 0.36 0.24 -0.22 -1.00 0.00 0.00 179.01 178.41 3f42 h LYS 23 N 0.56 0.64 -0.78 2.33 3.64 -1.12 -2.60 116.57 119.23 3f42 h LYS 23 Ca 0.18 -0.08 0.04 0.00 -1.27 0.00 0.00 60.65 59.52 3f42 h LYS 23 Cb -0.01 -0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 31.64 3f42 h LYS 23 CO -0.07 0.52 0.49 -0.91 -2.27 0.00 0.00 179.45 177.21 3f42 h ASN 24 N 0.60 0.80 -0.06 4.20 2.35 -0.43 -2.10 115.58 120.94 3f42 h ASN 24 Ca 0.16 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.89 3f42 h ASN 24 Cb 0.07 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.26 3f42 h ASN 24 CO -0.02 0.54 -0.00 0.50 -1.65 0.00 0.00 177.43 176.80 3f42 h LYS 25 N 0.94 0.19 -0.00 0.81 3.64 -0.72 0.47 116.57 121.90 3f42 h LYS 25 Ca 0.32 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.68 3f42 h LYS 25 Cb 0.05 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 3f42 h LYS 25 CO -0.13 0.22 -0.02 -0.25 -2.27 0.00 0.00 179.45 177.01 3f42 n ASP 26 N -4.42 0.25 -4.72 4.20 8.00 -0.80 -4.47 116.55 114.58 3f42 n ASP 26 Ca -0.01 -0.85 -0.35 0.00 0.71 0.00 0.00 54.79 54.29 3f42 n ASP 26 Cb 0.16 -0.06 -0.08 0.00 -0.02 0.00 0.00 41.12 41.12 3f42 n ASP 26 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3f42 s THR 27 N -2.17 5.40 -0.14 -3.53 2.01 -0.56 -5.00 115.64 111.65 3f42 s THR 27 Ca 0.41 0.22 -0.04 0.00 0.31 0.00 0.00 61.69 62.58 3f42 s THR 27 Cb 0.21 -3.49 -0.03 0.00 0.01 0.00 0.00 72.50 69.20 3f42 s THR 27 CO 0.40 0.43 0.00 -0.63 -0.69 0.00 0.00 174.62 174.12 3f42 s ILE 28 N 0.45 4.28 -0.12 1.82 1.01 -1.26 -1.95 121.20 125.42 3f42 s ILE 28 Ca 0.09 -0.23 0.03 0.00 0.00 0.00 0.00 60.65 60.53 3f42 s ILE 28 Cb -0.11 -2.87 0.00 0.00 0.01 0.00 0.00 42.46 39.49 3f42 s ILE 28 CO -0.01 0.52 -0.22 -2.28 0.00 0.00 0.00 174.94 172.95 3f42 s HIS 29 N -0.00 2.63 -0.10 3.97 5.65 0.44 -4.98 115.29 122.89 3f42 s HIS 29 Ca 0.03 -1.12 0.01 0.00 0.25 0.00 0.00 55.06 54.23 3f42 s HIS 29 Cb -0.13 -1.77 -0.02 0.00 -1.18 0.00 0.00 32.58 29.48 3f42 s HIS 29 CO 0.02 -0.48 -0.14 0.99 -0.65 0.00 0.00 174.74 174.48 3f42 s THR 30 N 0.55 2.99 -0.02 0.89 2.01 -1.26 -0.85 115.64 119.95 3f42 s THR 30 Ca -0.13 -0.70 0.07 0.00 0.31 0.00 0.00 61.69 61.24 3f42 s THR 30 Cb -0.17 -2.23 -0.02 0.00 0.01 0.00 0.00 72.50 70.10 3f42 s THR 30 CO 0.04 0.55 -0.24 -0.44 -0.69 0.00 0.00 174.62 173.84 3f42 s SER 31 N 0.03 2.78 0.15 3.53 0.01 -0.10 -4.98 113.70 115.13 3f42 s SER 31 Ca -0.05 -0.43 0.10 0.00 1.31 0.00 0.00 55.95 56.88 3f42 s SER 31 Cb -0.14 -0.36 -0.04 0.00 0.21 0.00 0.00 66.02 65.68 3f42 s SER 31 CO 0.04 0.28 -0.23 -0.54 0.41 0.00 0.00 173.24 173.21 3f42 s LYS 32 N -0.51 1.34 0.36 12.44 1.02 -1.26 -0.69 119.74 132.44 3f42 s LYS 32 Ca 0.08 -1.36 0.00 0.00 0.02 0.00 0.00 55.97 54.70 3f42 s LYS 32 Cb -0.10 -1.66 0.00 0.00 -0.52 0.00 0.00 37.83 35.56 3f42 s LYS 32 CO -0.00 0.37 0.46 -1.13 -0.92 0.00 0.00 175.35 174.13 3f42 n SER 33 N 0.66 -1.26 -3.61 2.83 3.41 -0.70 -4.77 113.62 110.18 3f42 n SER 33 Ca -0.16 -3.00 -0.24 0.00 -0.26 0.00 0.00 58.87 55.21 3f42 n SER 33 Cb 0.55 2.43 0.08 0.00 -0.26 0.00 0.00 64.21 67.00 3f42 n SER 33 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3f42 n GLY 34 N -0.60 -0.53 2.55 5.00 0.00 -1.26 -1.67 105.19 108.68 3f42 n GLY 34 Ca 0.02 0.24 -0.19 0.00 0.00 0.00 0.00 46.02 46.09 3f42 n GLY 34 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3f42 n GLY 35 N -1.94 -0.41 0.99 -0.02 0.00 -1.26 -4.51 105.19 98.04 3f42 n GLY 35 Ca -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.97 3f42 n GLY 35 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3f42 n GLY 36 N -1.18 0.13 0.00 -0.02 0.00 -0.67 -5.19 105.19 98.26 3f42 n GLY 36 Ca -0.18 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.45 3f42 n GLY 36 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3f42 n VAL 38 N -0.68 0.00 -4.26 1.61 0.31 -0.90 -4.87 118.33 109.55 3f42 n VAL 38 Ca 0.00 0.00 -0.20 0.00 -0.01 0.00 0.00 64.34 64.13 3f42 n VAL 38 Cb 0.33 0.00 -0.16 0.00 -0.91 0.00 0.00 33.84 33.10 3f42 n VAL 38 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 3f42 s SER 39 N 0.00 1.01 0.02 4.52 0.15 -0.12 -1.72 113.70 117.57 3f42 s SER 39 Ca 0.00 -0.15 0.06 0.00 0.70 0.00 0.00 55.95 56.56 3f42 s SER 39 Cb 0.00 -0.39 -0.02 0.00 -1.71 0.00 0.00 66.02 63.90 3f42 s SER 39 CO 0.00 -0.00 -0.19 0.68 1.20 0.00 0.00 173.24 174.93 3f42 s VAL 40 N 0.57 1.48 -0.06 4.45 -7.23 0.13 -1.00 120.40 118.73 3f42 s VAL 40 Ca -0.08 -1.01 0.04 0.00 -1.81 0.00 0.00 61.98 59.12 3f42 s VAL 40 Cb -0.12 -1.27 0.00 0.00 0.56 0.00 0.00 36.38 35.55 3f42 s VAL 40 CO 0.01 0.24 -0.18 -0.44 -0.31 0.00 0.00 175.10 174.41 3f42 s SER 41 N -0.90 2.32 0.12 4.85 0.01 -0.30 -0.92 113.70 118.87 3f42 s SER 41 Ca 0.06 -0.39 0.09 0.00 1.31 0.00 0.00 55.95 57.02 3f42 s SER 41 Cb -0.08 -0.85 -0.04 0.00 0.21 0.00 0.00 66.02 65.26 3f42 s SER 41 CO 0.01 0.13 -0.18 -0.36 0.41 0.00 0.00 173.24 173.25 3f42 s PHE 42 N 0.25 2.55 0.78 2.43 0.08 -0.03 -0.08 117.98 123.96 3f42 s PHE 42 Ca -0.10 -0.26 -0.07 0.00 0.12 0.00 0.00 56.93 56.63 3f42 s PHE 42 Cb -0.14 -1.35 0.13 0.00 -0.57 0.00 0.00 43.02 41.09 3f42 s PHE 42 CO 0.04 0.39 1.09 0.54 -0.10 0.00 0.00 175.22 177.18 3f42 s ASN 43 N -2.16 4.14 0.00 1.36 2.20 -0.08 -0.42 114.94 119.97 3f42 s ASN 43 Ca 0.18 0.05 0.27 0.00 -0.94 0.00 0.00 52.86 52.42 3f42 s ASN 43 Cb -0.11 -0.42 1.59 0.00 -2.00 0.00 0.00 41.25 40.31 3f42 s ASN 43 CO 0.10 -2.02 1.95 0.61 -2.94 0.00 0.00 177.10 174.80 3f42 n GLY 44 N -3.11 -0.85 0.05 0.45 0.00 0.05 -0.85 105.19 100.92 3f42 n GLY 44 Ca 0.13 -0.17 0.12 0.00 0.00 0.00 0.00 46.02 46.11 3f42 n GLY 44 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3f42 n LEU 45 N -1.01 0.55 0.00 0.99 4.77 -1.26 -4.78 117.00 116.27 3f42 n LEU 45 Ca 0.20 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 3f42 n LEU 45 Cb 0.10 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 40.94 3f42 n LEU 45 CO 0.15 0.13 0.00 0.61 -1.33 0.00 0.00 177.39 176.95 3f42 n GLY 46 N 1.46 0.75 3.74 -0.72 0.00 -0.03 -5.06 105.19 105.33 3f42 n GLY 46 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 3f42 n GLY 46 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3f42 s GLU 47 N -0.49 4.59 -0.23 1.61 2.02 -1.26 -4.84 118.70 120.09 3f42 s GLU 47 Ca 0.00 1.72 -0.27 0.00 0.02 0.00 0.00 54.97 56.44 3f42 s GLU 47 Cb 0.00 -3.28 0.00 0.00 0.10 0.00 0.00 34.13 30.96 3f42 s GLU 47 CO 0.00 0.06 0.95 -1.17 0.02 0.00 0.00 175.26 175.12 3f42 s LEU 48 N -0.34 4.10 -0.01 1.80 2.96 -1.26 -0.90 118.68 125.03 3f42 s LEU 48 Ca 0.50 1.24 0.07 0.00 -0.22 0.00 0.00 54.13 55.71 3f42 s LEU 48 Cb -0.29 -3.39 -0.09 0.00 0.50 0.00 0.00 46.19 42.91 3f42 s LEU 48 CO 0.35 -0.60 0.18 1.33 -1.32 0.00 0.00 176.35 176.28 3f42 n VAL 49 N 5.27 0.00 -3.72 1.68 0.24 0.89 -4.97 118.33 117.73 3f42 n VAL 49 Ca 0.09 -0.20 -0.13 0.00 -2.04 0.00 0.00 64.34 62.06 3f42 n VAL 49 Cb 0.47 0.52 -0.08 0.00 -1.47 0.00 0.00 33.84 33.28 3f42 n VAL 49 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3f42 s ASP 50 N -2.46 -0.23 -0.21 -1.34 2.15 -1.05 -4.98 116.67 108.55 3f42 s ASP 50 Ca -0.01 0.04 -0.08 0.00 0.43 0.00 0.00 52.55 52.93 3f42 s ASP 50 Cb 0.04 0.37 0.09 0.00 -0.30 0.00 0.00 42.92 43.12 3f42 s ASP 50 CO 0.27 -0.56 0.45 -0.22 -0.17 0.00 0.00 175.17 174.94 3f42 s LEU 51 N -1.67 -0.67 -0.04 -1.34 0.20 -1.26 -1.15 118.68 112.74 3f42 s LEU 51 Ca -0.09 1.06 0.01 0.00 0.69 0.00 0.00 54.13 55.80 3f42 s LEU 51 Cb -0.03 1.48 0.02 0.00 -0.43 0.00 0.00 46.19 47.23 3f42 s LEU 51 CO 0.01 -0.23 -0.05 -1.10 -0.29 0.00 0.00 176.35 174.70 3f42 s GLN 52 N 2.56 0.79 -0.08 1.98 -1.52 -0.17 -5.02 119.66 118.20 3f42 s GLN 52 Ca -0.03 -0.12 0.03 0.00 -1.95 0.00 0.00 55.36 53.29 3f42 s GLN 52 Cb -0.12 -0.79 0.01 0.00 -0.22 0.00 0.00 33.01 31.89 3f42 s GLN 52 CO -0.14 -0.05 -0.15 0.42 -0.25 0.00 0.00 175.29 175.12 3f42 s ILE 53 N 0.77 1.37 0.32 1.08 1.01 -1.26 -0.94 121.20 123.55 3f42 s ILE 53 Ca -0.10 -0.61 -0.29 0.00 0.00 0.00 0.00 60.65 59.65 3f42 s ILE 53 Cb -0.13 -1.23 -0.11 0.00 0.01 0.00 0.00 42.46 41.00 3f42 s ILE 53 CO 0.00 0.41 1.42 -0.62 0.00 0.00 0.00 174.94 176.15 3f42 s ASP 54 N 0.65 6.57 0.57 3.58 2.15 -1.26 -4.88 116.67 124.04 3f42 s ASP 54 Ca -0.14 2.83 0.28 0.00 0.43 0.00 0.00 52.55 55.95 3f42 s ASP 54 Cb -0.16 -2.65 1.48 0.00 -0.30 0.00 0.00 42.92 41.29 3f42 s ASP 54 CO 0.04 -0.72 1.94 0.44 -0.17 0.00 0.00 175.17 176.70 3f42 h ASP 55 N 3.78 0.00 -0.08 -0.34 3.32 -2.03 -1.65 116.42 119.42 3f42 h ASP 55 Ca -0.49 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.55 3f42 h ASP 55 Cb 1.23 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.77 3f42 h ASP 55 CO 0.69 0.00 0.02 0.77 -1.72 0.00 0.00 179.24 179.00 3f42 h SER 56 N 0.00 0.17 0.96 6.45 4.64 -2.04 -1.69 113.55 122.04 3f42 h SER 56 Ca 0.23 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 3f42 h SER 56 Cb 1.13 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 3f42 h SER 56 CO -0.00 0.20 0.00 -0.07 -0.87 0.00 0.00 176.83 176.08 3f42 h LEU 57 N 0.19 0.00 -2.43 5.97 3.38 -1.65 -2.59 115.31 118.18 3f42 h LEU 57 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3f42 h LEU 57 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 3f42 h LEU 57 CO -0.00 0.00 0.00 -0.07 0.09 0.00 0.00 178.44 178.46 3f42 h LEU 58 N 0.00 0.00 -0.05 1.67 3.38 -1.44 -1.58 115.31 117.30 3f42 h LEU 58 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3f42 h LEU 58 Cb 0.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 3f42 h LEU 58 CO 0.00 0.00 -0.10 -0.62 0.09 0.00 0.00 178.44 177.81 3f42 n GLU 59 N -3.06 0.23 -3.19 1.13 -0.58 -0.98 -4.49 120.64 109.71 3f42 n GLU 59 Ca -0.02 -0.05 -0.18 0.00 -0.42 0.00 0.00 57.16 56.50 3f42 n GLU 59 Cb 0.15 -1.50 -0.06 0.00 -0.57 0.00 0.00 31.44 29.46 3f42 n GLU 59 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 3f42 s ASP 60 N -2.80 0.48 0.38 1.62 -1.08 -0.59 -5.00 116.67 109.67 3f42 s ASP 60 Ca 0.20 -2.37 0.07 0.00 -0.52 0.00 0.00 52.55 49.92 3f42 s ASP 60 Cb 0.19 0.48 0.74 0.00 -1.46 0.00 0.00 42.92 42.87 3f42 s ASP 60 CO 0.53 -0.15 1.95 0.50 0.52 0.00 0.00 175.17 178.52 3f42 h LYS 61 N 5.71 0.46 -0.27 4.34 3.64 -1.79 -2.42 116.57 126.24 3f42 h LYS 61 Ca 0.16 -0.07 0.03 0.00 -1.27 0.00 0.00 60.65 59.50 3f42 h LYS 61 Cb 1.00 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.71 3f42 h LYS 61 CO 0.22 0.44 0.09 1.49 -2.27 0.00 0.00 179.45 179.42 3f42 h GLU 62 N 0.46 0.20 -1.63 1.90 4.81 -1.94 0.53 114.58 118.90 3f42 h GLU 62 Ca 0.11 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 3f42 h GLU 62 Cb 0.20 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.53 3f42 h GLU 62 CO -0.00 0.14 0.00 0.00 -0.73 0.00 0.00 179.01 178.41 3f42 n ALA 63 N -2.29 1.81 0.00 2.92 0.00 -0.91 -2.20 120.51 119.84 3f42 n ALA 63 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 3f42 n ALA 63 Cb 0.10 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.55 3f42 n ALA 63 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3f42 n GLN 65 N 0.82 0.00 -0.02 0.00 6.02 0.18 -0.92 117.38 123.45 3f42 n GLN 65 Ca 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 57.00 56.88 3f42 n GLN 65 Cb 0.16 0.00 -0.05 0.00 1.02 0.00 0.00 30.24 31.36 3f42 n GLN 65 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 3f42 h ILE 66 N 0.00 1.12 -0.35 5.09 2.04 -1.69 -3.04 117.51 120.68 3f42 h ILE 66 Ca 0.00 -0.36 -0.10 0.00 1.00 0.00 0.00 64.86 65.40 3f42 h ILE 66 Cb 0.00 1.13 -0.02 0.00 -0.74 0.00 0.00 36.82 37.19 3f42 h ILE 66 CO 0.00 0.11 -0.19 1.88 0.00 0.00 0.00 178.15 179.96 3f42 h TYR 67 N 0.08 0.73 0.00 1.37 0.05 -1.31 -0.58 116.97 117.32 3f42 h TYR 67 Ca 0.04 -0.15 0.00 0.00 0.05 0.00 0.00 58.73 58.68 3f42 h TYR 67 Cb 0.12 -0.18 0.00 0.00 1.01 0.00 0.00 36.73 37.68 3f42 h TYR 67 CO -0.03 0.80 0.00 1.28 -1.05 0.00 0.00 178.16 179.16 3f42 n LEU 68 N -4.14 0.00 0.00 3.88 4.77 -1.15 -1.65 117.00 118.72 3f42 n LEU 68 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3f42 n LEU 68 Cb 0.39 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 3f42 n LEU 68 CO 0.43 0.00 0.00 -0.24 -1.33 0.00 0.00 177.39 176.25 3f42 n SER 70 N 0.58 0.00 -0.17 -1.43 2.88 -0.22 -0.65 113.62 114.61 3f42 n SER 70 Ca 0.00 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.44 3f42 n SER 70 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 3f42 n SER 70 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3f42 h ALA 71 N 0.00 0.66 -0.15 -1.46 0.00 -1.58 -1.29 119.26 115.44 3f42 h ALA 71 Ca 0.00 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 3f42 h ALA 71 Cb 0.00 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3f42 h ALA 71 CO 0.00 0.49 0.03 -0.07 0.00 0.00 0.00 179.25 179.70 3f42 h LEU 72 N 0.73 0.24 -1.05 0.00 3.38 -1.13 -0.96 115.31 116.53 3f42 h LEU 72 Ca 0.13 -0.25 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 3f42 h LEU 72 Cb 0.55 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.21 3f42 h LEU 72 CO 0.03 0.43 0.32 0.78 0.09 0.00 0.00 178.44 180.10 3f42 h ASN 73 N 0.04 0.90 -0.50 -0.43 2.35 -1.76 0.88 115.58 117.06 3f42 h ASN 73 Ca 0.05 -0.10 -0.00 0.00 -0.55 0.00 0.00 56.30 55.69 3f42 h ASN 73 Cb 0.29 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.41 3f42 h ASN 73 CO 0.00 0.77 0.30 -0.78 -1.65 0.00 0.00 177.43 176.07 3f42 h ASP 74 N 0.99 0.61 -0.13 5.81 3.58 -1.01 0.18 116.42 126.45 3f42 h ASP 74 Ca 0.24 -0.06 -0.01 0.00 0.42 0.00 0.00 57.03 57.61 3f42 h ASP 74 Cb 0.12 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.01 3f42 h ASP 74 CO -0.03 0.49 0.04 1.23 -2.88 0.00 0.00 179.24 178.09 3f42 h GLY 75 N 0.67 0.21 0.84 -0.78 0.00 -0.67 -1.24 103.07 102.10 3f42 h GLY 75 Ca 0.18 -0.13 0.03 0.00 0.00 0.00 0.00 47.33 47.41 3f42 h GLY 75 CO -0.03 0.12 0.31 -0.97 0.00 0.00 0.00 176.54 175.97 3f42 h TYR 76 N 0.01 0.58 -0.53 5.60 0.05 -0.75 -0.71 116.97 121.22 3f42 h TYR 76 Ca 0.04 0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.83 3f42 h TYR 76 Cb 0.23 -0.19 -0.03 0.00 1.01 0.00 0.00 36.73 37.76 3f42 h TYR 76 CO 0.00 0.32 0.29 -0.22 -1.05 0.00 0.00 178.16 177.50 3f42 h LYS 77 N 0.62 0.75 -0.24 4.88 3.64 -0.86 -1.06 116.57 124.30 3f42 h LYS 77 Ca 0.22 -0.09 -0.01 0.00 -1.27 0.00 0.00 60.65 59.51 3f42 h LYS 77 Cb 0.05 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.71 3f42 h LYS 77 CO -0.11 0.58 0.13 0.00 -2.27 0.00 0.00 179.45 177.78 3f42 h ALA 78 N 1.12 0.31 -0.61 5.00 0.00 -0.86 0.18 119.26 124.40 3f42 h ALA 78 Ca 0.19 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 3f42 h ALA 78 Cb 0.06 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3f42 h ALA 78 CO -0.03 -0.16 0.05 0.28 0.00 0.00 0.00 179.25 179.39 3f42 h VAL 79 N 0.27 1.26 -0.38 0.00 2.07 -1.03 -1.01 116.25 117.44 3f42 h VAL 79 Ca 0.08 -1.08 -0.13 0.00 0.82 0.00 0.00 66.70 66.39 3f42 h VAL 79 Cb 0.07 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 3f42 h VAL 79 CO -0.01 0.40 -0.27 -0.08 0.02 0.00 0.00 177.57 177.62 3f42 h GLU 80 N 0.94 0.80 -0.32 1.57 4.57 -1.00 0.13 114.58 121.27 3f42 h GLU 80 Ca 0.18 -0.35 0.04 0.00 -1.18 0.00 0.00 59.36 58.05 3f42 h GLU 80 Cb 0.50 -0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 29.02 3f42 h GLU 80 CO 0.02 0.97 0.07 0.93 -1.18 0.00 0.00 179.01 179.83 3f42 h GLU 81 N 0.68 0.19 -0.96 1.92 4.39 -0.80 0.12 114.58 120.12 3f42 h GLU 81 Ca 0.08 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.77 3f42 h GLU 81 Cb 0.80 -0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 29.36 3f42 h GLU 81 CO 0.07 0.12 0.60 -0.91 -1.16 0.00 0.00 179.01 177.73 3f42 h ASN 82 N 0.19 1.13 0.19 1.42 2.35 -0.63 -0.47 115.58 119.77 3f42 h ASN 82 Ca 0.15 -0.05 -0.12 0.00 -0.55 0.00 0.00 56.30 55.72 3f42 h ASN 82 Cb 0.16 -0.29 -0.01 0.00 0.05 0.00 0.00 38.32 38.23 3f42 h ASN 82 CO -0.19 0.85 -0.46 0.03 -1.65 0.00 0.00 177.43 176.01 3f42 h ARG 83 N 1.31 0.32 -0.30 0.81 3.08 -0.22 -0.44 114.38 118.95 3f42 h ARG 83 Ca 0.35 -0.17 -0.06 0.00 0.07 0.00 0.00 59.98 60.16 3f42 h ARG 83 Cb -0.09 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 29.96 3f42 h ARG 83 CO -0.07 0.72 -0.06 -0.22 -1.07 0.00 0.00 179.97 179.27 3f42 h LYS 84 N 0.26 0.57 -0.44 0.04 3.64 -0.53 -2.37 116.57 117.74 3f42 h LYS 84 Ca 0.02 -0.21 0.02 0.00 -1.27 0.00 0.00 60.65 59.20 3f42 h LYS 84 Cb 0.91 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.67 3f42 h LYS 84 CO 0.08 0.76 0.26 -0.91 -2.27 0.00 0.00 179.45 177.36 3f42 h ASN 85 N 0.35 0.43 -0.61 4.20 2.35 -0.87 -2.45 115.58 118.98 3f42 h ASN 85 Ca 0.08 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.79 3f42 h ASN 85 Cb 0.54 -0.09 -0.03 0.00 0.05 0.00 0.00 38.32 38.79 3f42 h ASN 85 CO 0.03 0.31 0.22 0.25 -1.65 0.00 0.00 177.43 176.58 3f42 h LEU 86 N 0.53 0.89 0.19 1.61 5.85 -1.06 0.32 115.31 123.65 3f42 h LEU 86 Ca 0.17 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 3f42 h LEU 86 Cb 0.00 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 40.80 3f42 h LEU 86 CO -0.08 0.83 -0.09 0.00 -0.34 0.00 0.00 178.44 178.76 3f42 h ALA 87 N 1.30 -0.26 -0.80 1.25 0.00 -1.23 -3.01 119.26 116.51 3f42 h ALA 87 Ca 0.21 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 3f42 h ALA 87 Cb 0.24 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 3f42 h ALA 87 CO -0.01 -0.64 0.42 0.74 0.00 0.00 0.00 179.25 179.76 3f42 h PHE 88 N -0.28 1.11 0.00 0.00 0.04 -1.22 -2.82 116.94 113.78 3f42 h PHE 88 Ca -0.03 -0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.71 3f42 h PHE 88 Cb 0.21 -0.35 0.00 0.00 2.20 0.00 0.00 35.95 38.01 3f42 h PHE 88 CO -0.06 0.79 0.00 0.09 -0.60 0.00 0.00 178.31 178.53 3f42 n ASN 89 N -4.40 2.91 0.00 2.17 5.03 0.08 -1.32 115.26 119.73 3f42 n ASN 89 Ca 0.08 -1.71 0.00 0.00 0.87 0.00 0.00 54.58 53.81 3f42 n ASN 89 Cb 0.11 -0.55 0.00 0.00 -1.02 0.00 0.00 39.78 38.32 3f42 n ASN 89 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 3f42 n LEU 91 N 0.97 0.00 -0.80 3.41 4.77 -1.07 -5.08 117.00 119.21 3f42 n LEU 91 Ca 0.00 0.00 0.10 0.00 -0.03 0.00 0.00 56.01 56.08 3f42 n LEU 91 Cb 0.38 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.55 3f42 n LEU 91 CO 0.00 0.00 0.57 0.61 -1.33 0.00 0.00 177.39 177.24