#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k42 s HIS 2 N 0.00 3.05 0.00 1.61 0.00 -1.26 -4.87 115.29 113.82 2k42 s HIS 2 Ca 0.00 -1.00 0.00 0.00 -3.00 0.00 0.00 55.06 51.06 2k42 s HIS 2 Cb 0.00 -3.93 0.00 0.00 -4.00 0.00 0.00 32.58 24.65 2k42 s HIS 2 CO 0.00 -1.22 0.00 -1.33 -1.00 0.00 0.00 174.74 171.19 2k42 n MET 3 N 6.10 0.00 0.00 -0.38 2.00 -1.26 -5.06 117.12 118.52 2k42 n MET 3 Ca -0.10 0.09 0.00 0.00 0.00 0.00 0.00 57.70 57.69 2k42 n MET 3 Cb 0.42 -0.58 0.00 0.00 0.00 0.00 0.00 33.22 33.06 2k42 n MET 3 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 175.97 174.84 2k42 n SER 4 N -2.37 0.00 0.00 7.83 3.41 -1.26 -4.94 113.62 116.28 2k42 n SER 4 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2k42 n SER 4 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2k42 n SER 4 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2k42 n GLY 5 N 0.00 2.78 3.55 5.00 0.00 -1.26 -5.03 105.19 110.22 2k42 n GLY 5 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2k42 n GLY 5 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2k42 s PHE 6 N -2.56 2.46 0.36 1.61 5.36 -1.20 -3.77 117.98 120.24 2k42 s PHE 6 Ca 0.00 -0.56 0.00 0.00 -0.96 0.00 0.00 56.93 55.41 2k42 s PHE 6 Cb 0.00 -4.65 0.00 0.00 -0.34 0.00 0.00 43.02 38.03 2k42 s PHE 6 CO 0.00 -1.97 0.00 1.17 -1.46 0.00 0.00 175.22 172.96 2k42 n LYS 7 N 8.98 -1.96 -4.21 10.12 4.81 -1.26 -4.90 118.16 129.74 2k42 n LYS 7 Ca 0.21 1.60 -0.12 0.00 -0.87 0.00 0.00 58.31 59.13 2k42 n LYS 7 Cb 0.50 -2.25 -0.10 0.00 0.02 0.00 0.00 35.03 33.20 2k42 n LYS 7 CO 0.00 0.00 0.00 -1.01 1.17 0.00 0.00 177.40 177.56 2k42 s HIS 8 N -3.85 1.07 -0.39 5.64 3.76 -1.26 -4.92 115.29 115.34 2k42 s HIS 8 Ca 0.00 -0.91 0.23 0.00 -0.15 0.00 0.00 55.06 54.23 2k42 s HIS 8 Cb 0.00 -0.60 0.18 0.00 1.11 0.00 0.00 32.58 33.28 2k42 s HIS 8 CO 0.00 -0.11 1.26 -0.39 -0.85 0.00 0.00 174.74 174.65 2k42 h VAL 9 N 2.84 0.00 0.00 -0.90 -1.51 -2.00 -2.80 116.25 111.88 2k42 h VAL 9 Ca -0.36 -0.88 0.00 0.00 -1.23 0.00 0.00 66.70 64.23 2k42 h VAL 9 Cb 1.18 1.53 0.00 0.00 -2.13 0.00 0.00 31.29 31.87 2k42 h VAL 9 CO 0.64 0.00 0.00 -1.20 -1.23 0.00 0.00 177.57 175.78 2k42 n SER 10 N -2.65 0.00 -1.56 4.19 7.64 -1.26 -4.80 113.62 115.19 2k42 n SER 10 Ca 0.02 0.04 -0.18 0.00 1.01 0.00 0.00 58.87 59.76 2k42 n SER 10 Cb 0.52 -0.28 -0.06 0.00 -1.01 0.00 0.00 64.21 63.38 2k42 n SER 10 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 2k42 n HIS 11 N -1.28 -0.21 0.00 1.43 -0.00 -1.06 -4.33 115.22 109.78 2k42 n HIS 11 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.80 2k42 n HIS 11 Cb 0.12 -3.22 0.00 0.00 -0.00 0.00 0.00 29.99 26.90 2k42 n HIS 11 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 2k42 n VAL 12 N -2.85 0.00 -1.60 1.59 0.31 -1.26 -1.36 118.33 113.16 2k42 n VAL 12 Ca -0.19 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.12 2k42 n VAL 12 Cb 0.61 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 33.53 2k42 n VAL 12 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2k42 n GLY 13 N 0.00 0.16 3.54 2.92 0.00 -1.26 -5.06 105.19 105.48 2k42 n GLY 13 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 2k42 n GLY 13 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2k42 s TRP 14 N 0.00 2.96 -0.09 1.61 -0.00 -0.46 -1.56 118.94 121.40 2k42 s TRP 14 Ca 0.00 -0.14 0.03 0.00 -0.00 0.00 0.00 56.10 55.99 2k42 s TRP 14 Cb 0.00 -1.81 -0.01 0.00 -0.00 0.00 0.00 33.47 31.65 2k42 s TRP 14 CO 0.00 0.17 -0.18 0.34 -0.00 0.00 0.00 176.95 177.28 2k42 s ASP 15 N -0.32 3.65 0.35 5.86 -1.08 0.43 -4.88 116.67 120.68 2k42 s ASP 15 Ca 0.05 -0.37 0.16 0.00 -0.52 0.00 0.00 52.55 51.87 2k42 s ASP 15 Cb -0.13 -1.22 1.16 0.00 -1.46 0.00 0.00 42.92 41.27 2k42 s ASP 15 CO 0.02 0.23 1.65 -0.65 0.52 0.00 0.00 175.17 176.93 2k42 h PRO 16 N 6.23 0.24 0.00 4.34 0.11 -1.97 0.45 132.00 141.41 2k42 h PRO 16 Ca -0.31 -0.01 -0.24 0.00 0.11 0.00 0.00 66.00 65.55 2k42 h PRO 16 Cb 1.19 -0.05 -0.05 0.00 0.11 0.00 0.00 31.00 32.20 2k42 h PRO 16 CO 0.51 0.16 -1.97 1.04 -0.21 0.00 0.00 178.00 177.53 2k42 n GLN 17 N -5.08 1.50 0.01 1.05 6.02 -1.26 -4.65 117.38 114.98 2k42 n GLN 17 Ca 0.33 -0.02 0.11 0.00 -0.01 0.00 0.00 57.00 57.41 2k42 n GLN 17 Cb 1.06 -1.37 -0.08 0.00 1.02 0.00 0.00 30.24 30.87 2k42 n GLN 17 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2k42 n ASN 18 N -2.49 0.47 0.00 1.08 3.02 -0.91 -4.31 115.26 112.12 2k42 n ASN 18 Ca -0.22 -0.23 0.00 0.00 -0.03 0.00 0.00 54.58 54.10 2k42 n ASN 18 Cb 0.92 1.27 0.00 0.00 -0.61 0.00 0.00 39.78 41.35 2k42 n ASN 18 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2k42 n GLY 19 N 1.33 -1.72 3.82 7.41 0.00 0.15 -4.39 105.19 111.80 2k42 n GLY 19 Ca -0.00 -1.57 -0.33 0.00 0.00 0.00 0.00 46.02 44.12 2k42 n GLY 19 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2k42 s PHE 20 N 0.00 3.26 -0.37 1.61 0.40 0.10 -0.42 117.98 122.56 2k42 s PHE 20 Ca 0.00 1.57 -0.24 0.00 -0.60 0.00 0.00 56.93 57.66 2k42 s PHE 20 Cb 0.00 -2.89 0.01 0.00 0.51 0.00 0.00 43.02 40.65 2k42 s PHE 20 CO 0.00 -0.34 0.84 0.34 0.70 0.00 0.00 175.22 176.76 2k42 s ASP 21 N -2.34 6.59 0.00 1.36 2.15 -0.60 -4.42 116.67 119.41 2k42 s ASP 21 Ca 0.62 0.42 0.28 0.00 0.43 0.00 0.00 52.55 54.31 2k42 s ASP 21 Cb -0.11 -2.42 1.55 0.00 -0.30 0.00 0.00 42.92 41.64 2k42 s ASP 21 CO 0.19 -0.79 2.00 1.33 -0.17 0.00 0.00 175.17 177.73 2k42 n VAL 22 N 5.87 0.06 -0.07 1.11 0.24 -1.26 -2.63 118.33 121.66 2k42 n VAL 22 Ca 0.04 0.01 -0.21 0.00 -2.04 0.00 0.00 64.34 62.15 2k42 n VAL 22 Cb 0.48 -0.56 -0.12 0.00 -1.47 0.00 0.00 33.84 32.16 2k42 n VAL 22 CO 0.00 0.00 0.00 -1.13 -2.14 0.00 0.00 176.83 173.56 2k42 h ASN 23 N 0.00 0.11 -1.52 -1.34 -1.24 -2.00 -3.37 115.58 106.21 2k42 h ASN 23 Ca 0.00 -0.69 -0.71 0.00 0.71 0.00 0.00 56.30 55.62 2k42 h ASN 23 Cb 0.13 -0.04 -0.27 0.00 0.73 0.00 0.00 38.32 38.88 2k42 h ASN 23 CO 0.00 1.47 0.94 0.59 -1.29 0.00 0.00 177.43 179.14 2k42 n ASN 24 N -4.28 7.51 -4.67 1.15 5.03 -1.15 -4.96 115.26 113.89 2k42 n ASN 24 Ca -0.27 -3.76 -0.42 0.00 0.87 0.00 0.00 54.58 51.00 2k42 n ASN 24 Cb 0.72 -1.05 -0.03 0.00 -1.02 0.00 0.00 39.78 38.41 2k42 n ASN 24 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 2k42 s LEU 25 N -3.80 4.15 0.12 3.41 1.43 -1.08 -4.87 118.68 118.05 2k42 s LEU 25 Ca 0.56 1.33 -0.35 0.00 -1.03 0.00 0.00 54.13 54.65 2k42 s LEU 25 Cb 0.46 -3.43 -0.15 0.00 0.03 0.00 0.00 46.19 43.10 2k42 s LEU 25 CO -0.24 -0.53 1.51 -0.67 0.23 0.00 0.00 176.35 176.65 2k42 n ASP 26 N 5.67 2.65 -0.29 2.29 -0.08 -1.26 -4.71 116.55 120.82 2k42 n ASP 26 Ca 0.09 1.09 0.25 0.00 -1.51 0.00 0.00 54.79 54.70 2k42 n ASP 26 Cb 0.48 -1.35 0.58 0.00 2.34 0.00 0.00 41.12 43.16 2k42 n ASP 26 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 2k42 h PRO 27 N 5.61 0.27 -0.02 -0.67 0.11 -1.98 0.29 132.00 135.61 2k42 h PRO 27 Ca -0.46 -0.02 -0.13 0.00 0.11 0.00 0.00 66.00 65.50 2k42 h PRO 27 Cb 1.28 -0.06 0.01 0.00 0.11 0.00 0.00 31.00 32.34 2k42 h PRO 27 CO 0.86 0.18 -0.50 -0.44 -0.21 0.00 0.00 178.00 177.88 2k42 h ASP 28 N 0.28 0.48 -0.40 -2.05 5.19 -1.99 -1.11 116.42 116.82 2k42 h ASP 28 Ca 0.54 -0.73 0.02 0.00 -0.62 0.00 0.00 57.03 56.24 2k42 h ASP 28 Cb 1.59 -0.15 -0.03 0.00 0.18 0.00 0.00 39.33 40.92 2k42 h ASP 28 CO -0.19 1.15 0.22 -0.07 -3.12 0.00 0.00 179.24 177.23 2k42 h LEU 29 N -0.14 0.34 -0.87 1.55 3.38 -1.39 -0.53 115.31 117.64 2k42 h LEU 29 Ca -0.06 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2k42 h LEU 29 Cb 1.21 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.86 2k42 h LEU 29 CO 0.10 0.24 0.56 -0.09 0.09 0.00 0.00 178.44 179.34 2k42 h ARG 30 N 0.44 1.17 -0.17 1.13 2.43 -0.54 0.13 114.38 118.97 2k42 h ARG 30 Ca 0.17 -0.09 0.03 0.00 -0.81 0.00 0.00 59.98 59.28 2k42 h ARG 30 Cb 0.05 -0.25 -0.02 0.00 -0.42 0.00 0.00 29.97 29.32 2k42 h ARG 30 CO -0.10 0.79 0.01 1.03 -1.51 0.00 0.00 179.97 180.20 2k42 h SER 31 N 1.19 -0.04 0.87 -3.80 0.87 -0.68 -2.30 113.55 109.66 2k42 h SER 31 Ca 0.32 0.03 -0.04 0.00 -1.23 0.00 0.00 61.79 60.87 2k42 h SER 31 Cb -0.10 0.05 0.01 0.00 -0.44 0.00 0.00 62.40 61.92 2k42 h SER 31 CO -0.06 0.01 -0.42 0.25 -0.53 0.00 0.00 176.83 176.07 2k42 h LEU 32 N 0.07 -0.99 -1.58 2.23 5.85 -0.33 -2.70 115.31 117.86 2k42 h LEU 32 Ca 0.08 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.83 2k42 h LEU 32 Cb 0.09 0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.36 2k42 h LEU 32 CO -0.12 -0.65 0.21 -0.26 -0.34 0.00 0.00 178.44 177.28 2k42 h PHE 33 N -1.29 0.47 -0.39 1.25 0.04 -0.79 0.13 116.94 116.36 2k42 h PHE 33 Ca -0.12 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.56 2k42 h PHE 33 Cb 0.90 -0.16 -0.02 0.00 2.20 0.00 0.00 35.95 38.88 2k42 h PHE 33 CO -0.00 0.32 -0.13 1.03 -0.60 0.00 0.00 178.31 178.93 2k42 h SER 34 N 0.50 0.69 0.09 2.17 0.87 -1.43 -1.56 113.55 114.87 2k42 h SER 34 Ca 0.13 -0.20 -0.12 0.00 -1.23 0.00 0.00 61.79 60.37 2k42 h SER 34 Cb -0.01 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 61.76 2k42 h SER 34 CO -0.02 0.84 -0.39 0.03 -0.53 0.00 0.00 176.83 176.76 2k42 h ARG 35 N 0.63 0.40 0.00 2.24 3.08 -0.46 -3.03 114.38 117.24 2k42 h ARG 35 Ca 0.11 -0.19 0.00 0.00 0.07 0.00 0.00 59.98 59.97 2k42 h ARG 35 Cb 0.58 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.63 2k42 h ARG 35 CO 0.04 0.73 0.00 0.00 -1.07 0.00 0.00 179.97 179.67 2k42 h ALA 36 N 1.25 1.00 0.00 0.04 0.00 -0.69 -3.46 119.26 117.40 2k42 h ALA 36 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2k42 h ALA 36 Cb 0.83 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.62 2k42 h ALA 36 CO 0.07 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.73 2k42 n GLY 37 N 0.78 0.48 3.61 0.00 0.00 -0.92 -5.03 105.19 104.12 2k42 n GLY 37 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 2k42 n GLY 37 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2k42 s ILE 38 N -2.17 3.96 0.70 -0.61 1.01 -0.64 -5.01 121.20 118.45 2k42 s ILE 38 Ca 0.00 1.03 -0.03 0.00 0.00 0.00 0.00 60.65 61.65 2k42 s ILE 38 Cb 0.00 -4.15 0.10 0.00 0.01 0.00 0.00 42.46 38.42 2k42 s ILE 38 CO 0.00 -0.63 0.98 -0.55 0.00 0.00 0.00 174.94 174.74 2k42 s SER 39 N 3.59 4.52 0.19 3.58 0.15 -1.26 -4.16 113.70 120.31 2k42 s SER 39 Ca 0.60 -0.10 -0.13 0.00 0.70 0.00 0.00 55.95 57.02 2k42 s SER 39 Cb -0.15 -0.40 0.20 0.00 -1.71 0.00 0.00 66.02 63.96 2k42 s SER 39 CO 0.29 -1.74 1.69 -0.33 1.20 0.00 0.00 173.24 174.36 2k42 h GLU 40 N -0.50 0.15 -0.59 5.44 3.07 -1.98 0.19 114.58 120.35 2k42 h GLU 40 Ca -0.40 -0.01 -0.02 0.00 -0.50 0.00 0.00 59.36 58.43 2k42 h GLU 40 Cb 1.28 -0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 29.13 2k42 h GLU 40 CO 0.46 0.10 0.28 0.00 -1.40 0.00 0.00 179.01 178.44 2k42 h ALA 41 N 1.44 1.38 0.00 3.43 0.00 -1.96 -2.19 119.26 121.36 2k42 h ALA 41 Ca 0.26 -0.12 -0.13 0.00 0.00 0.00 0.00 54.91 54.91 2k42 h ALA 41 Cb 0.39 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2k42 h ALA 41 CO -0.40 0.49 -0.64 0.37 0.00 0.00 0.00 179.25 179.07 2k42 h GLN 42 N 0.83 0.00 0.00 0.00 5.75 -1.36 -2.02 115.11 118.31 2k42 h GLN 42 Ca 0.21 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.71 2k42 h GLN 42 Cb 0.10 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.65 2k42 h GLN 42 CO -0.03 0.64 0.00 1.28 -2.65 0.00 0.00 178.83 178.07 2k42 n LEU 43 N -3.39 0.66 -0.90 -2.39 4.77 0.47 -2.37 117.00 113.84 2k42 n LEU 43 Ca 0.01 0.61 0.07 0.00 -0.03 0.00 0.00 56.01 56.67 2k42 n LEU 43 Cb 0.73 -0.46 0.22 0.00 -2.33 0.00 0.00 43.42 41.59 2k42 n LEU 43 CO 0.42 -0.35 0.69 0.35 -1.33 0.00 0.00 177.39 177.16 2k42 n THR 44 N -2.17 1.27 -1.92 -5.08 -2.24 -0.82 0.02 114.28 103.34 2k42 n THR 44 Ca 0.04 -1.14 -0.30 0.00 -2.27 0.00 0.00 64.05 60.38 2k42 n THR 44 Cb 0.32 0.36 0.03 0.00 -2.10 0.00 0.00 70.33 68.94 2k42 n THR 44 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2k42 s ASP 45 N -1.11 5.68 -0.00 3.42 2.15 -0.86 -4.33 116.67 121.62 2k42 s ASP 45 Ca 0.33 1.19 -0.00 0.00 0.43 0.00 0.00 52.55 54.50 2k42 s ASP 45 Cb 0.20 -2.07 -0.00 0.00 -0.30 0.00 0.00 42.92 40.75 2k42 s ASP 45 CO 0.19 -1.19 0.13 0.00 -0.17 0.00 0.00 175.17 174.13 2k42 h ALA 46 N -0.53 -0.13 -0.09 3.66 0.00 -1.88 -3.18 119.26 117.12 2k42 h ALA 46 Ca -0.45 -0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.27 2k42 h ALA 46 Cb 1.24 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 2k42 h ALA 46 CO 0.63 -0.13 -0.75 1.05 0.00 0.00 0.00 179.25 180.06 2k42 h GLU 47 N -0.02 0.49 -0.25 0.00 9.09 -1.93 -2.84 114.58 119.12 2k42 h GLU 47 Ca -0.00 -0.40 0.05 0.00 0.05 0.00 0.00 59.36 59.06 2k42 h GLU 47 Cb 0.00 0.09 -0.05 0.00 -1.65 0.00 0.00 28.75 27.14 2k42 h GLU 47 CO 0.00 1.04 -0.08 1.15 0.05 0.00 0.00 179.01 181.16 2k42 h THR 48 N 0.33 0.70 -0.35 -1.06 2.02 -1.85 -2.81 112.91 109.90 2k42 h THR 48 Ca -0.04 0.00 -0.17 0.00 0.77 0.00 0.00 66.41 66.97 2k42 h THR 48 Cb 1.34 0.70 -0.00 0.00 -1.74 0.00 0.00 68.15 68.44 2k42 h THR 48 CO 0.13 0.00 -0.44 0.77 0.37 0.00 0.00 175.52 176.35 2k42 h SER 49 N -0.03 0.98 -0.69 4.18 4.64 -1.53 -3.05 113.55 118.05 2k42 h SER 49 Ca 0.13 -0.47 0.03 0.00 -0.47 0.00 0.00 61.79 61.00 2k42 h SER 49 Cb 0.22 -0.28 -0.04 0.00 -0.31 0.00 0.00 62.40 61.99 2k42 h SER 49 CO -0.28 1.27 0.43 0.50 -0.87 0.00 0.00 176.83 177.88 2k42 h LYS 50 N 0.72 0.82 -0.27 4.77 3.64 -1.41 -1.87 116.57 122.97 2k42 h LYS 50 Ca 0.04 -0.05 -0.08 0.00 -1.27 0.00 0.00 60.65 59.29 2k42 h LYS 50 Cb 1.04 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.66 2k42 h LYS 50 CO 0.10 0.54 -0.19 -0.07 -2.27 0.00 0.00 179.45 177.56 2k42 h LEU 51 N 0.84 0.47 -0.39 5.20 3.38 -1.46 -0.08 115.31 123.27 2k42 h LEU 51 Ca 0.28 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 2k42 h LEU 51 Cb 0.02 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 2k42 h LEU 51 CO -0.11 0.68 0.17 0.40 0.09 0.00 0.00 178.44 179.67 2k42 h ILE 52 N 0.43 1.19 -0.51 1.22 2.04 -1.26 0.62 117.51 121.24 2k42 h ILE 52 Ca 0.07 -0.56 -0.03 0.00 1.00 0.00 0.00 64.86 65.34 2k42 h ILE 52 Cb 0.58 0.82 -0.02 0.00 -0.74 0.00 0.00 36.82 37.46 2k42 h ILE 52 CO 0.04 0.20 0.19 0.22 0.00 0.00 0.00 178.15 178.80 2k42 h TYR 53 N 0.49 0.78 -0.67 1.37 3.20 -0.98 0.10 116.97 121.27 2k42 h TYR 53 Ca 0.13 -0.06 0.02 0.00 3.14 0.00 0.00 58.73 61.96 2k42 h TYR 53 Cb 0.16 -0.23 -0.04 0.00 1.54 0.00 0.00 36.73 38.16 2k42 h TYR 53 CO -0.01 0.66 0.43 0.22 -1.64 0.00 0.00 178.16 177.82 2k42 h ASP 54 N 0.68 0.73 -0.45 -2.11 3.58 -0.86 -1.53 116.42 116.45 2k42 h ASP 54 Ca 0.17 -0.01 0.05 0.00 0.42 0.00 0.00 57.03 57.66 2k42 h ASP 54 Cb 0.22 -0.17 -0.05 0.00 1.72 0.00 0.00 39.33 41.05 2k42 h ASP 54 CO -0.01 0.51 0.17 0.15 -2.88 0.00 0.00 179.24 177.18 2k42 h PHE 55 N 0.86 0.31 -0.58 0.28 3.57 0.90 0.13 116.94 122.40 2k42 h PHE 55 Ca 0.26 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.77 2k42 h PHE 55 Cb -0.05 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 38.60 2k42 h PHE 55 CO -0.04 0.12 0.34 0.82 -2.23 0.00 0.00 178.31 177.33 2k42 h ILE 56 N 0.35 1.18 -0.55 1.41 2.04 -0.39 -1.65 117.51 119.89 2k42 h ILE 56 Ca 0.21 -0.41 -0.07 0.00 1.00 0.00 0.00 64.86 65.59 2k42 h ILE 56 Cb 0.19 0.40 -0.02 0.00 -0.74 0.00 0.00 36.82 36.64 2k42 h ILE 56 CO -0.20 0.19 0.08 -0.08 0.00 0.00 0.00 178.15 178.13 2k42 h GLU 57 N 0.78 0.88 0.00 2.37 4.81 -0.87 0.20 114.58 122.76 2k42 h GLU 57 Ca 0.21 -0.22 -0.03 0.00 -0.13 0.00 0.00 59.36 59.19 2k42 h GLU 57 Cb -0.00 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.26 2k42 h GLU 57 CO -0.04 0.83 -0.14 0.22 -0.73 0.00 0.00 179.01 179.15 2k42 h ASP 58 N 0.84 0.00 1.06 1.04 3.58 0.02 -1.80 116.42 121.15 2k42 h ASP 58 Ca 0.17 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.62 2k42 h ASP 58 Cb 0.39 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.44 2k42 h ASP 58 CO 0.01 0.14 -0.47 1.56 -2.88 0.00 0.00 179.24 177.61 2k42 h GLN 59 N 0.00 0.00 0.00 0.28 1.08 -1.00 -3.47 115.11 112.00 2k42 h GLN 59 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2k42 h GLN 59 Cb 0.25 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.68 2k42 h GLN 59 CO 0.02 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 178.31 2k42 n GLY 60 N 1.32 1.47 0.00 3.46 0.00 -0.68 -4.75 105.19 106.01 2k42 n GLY 60 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 2k42 n GLY 60 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k42 n GLY 61 N -0.16 1.31 0.26 -0.02 0.00 0.67 -3.26 105.19 103.99 2k42 n GLY 61 Ca 0.00 -2.12 -0.09 0.00 0.00 0.00 0.00 46.02 43.81 2k42 n GLY 61 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2k42 h LEU 62 N 0.00 -0.72 -1.36 0.99 3.38 -1.78 -1.71 115.31 114.12 2k42 h LEU 62 Ca 0.00 0.12 -0.03 0.00 0.09 0.00 0.00 57.88 58.07 2k42 h LEU 62 Cb 0.00 0.33 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 2k42 h LEU 62 CO 0.00 -0.27 -0.12 -0.33 0.09 0.00 0.00 178.44 177.80 2k42 h GLU 63 N -0.27 0.00 0.09 1.13 5.08 -1.87 -1.11 114.58 117.64 2k42 h GLU 63 Ca 0.11 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.20 2k42 h GLU 63 Cb 0.44 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.71 2k42 h GLU 63 CO -0.33 0.12 -1.16 0.00 -1.00 0.00 0.00 179.01 176.64 2k42 h ALA 64 N 1.88 0.12 -0.60 3.43 0.00 -1.66 -3.15 119.26 119.28 2k42 h ALA 64 Ca -0.00 -0.78 -0.02 0.00 0.00 0.00 0.00 54.91 54.12 2k42 h ALA 64 Cb 0.60 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 2k42 h ALA 64 CO 0.02 0.78 0.31 0.28 0.00 0.00 0.00 179.25 180.64 2k42 h VAL 65 N 0.22 1.19 -0.81 0.00 2.07 -0.37 -1.35 116.25 117.20 2k42 h VAL 65 Ca -0.15 -0.50 0.03 0.00 0.82 0.00 0.00 66.70 66.90 2k42 h VAL 65 Cb 1.83 0.39 -0.04 0.00 -1.52 0.00 0.00 31.29 31.95 2k42 h VAL 65 CO 0.21 0.22 0.54 0.03 0.02 0.00 0.00 177.57 178.58 2k42 h ARG 66 N 0.85 1.00 -0.42 1.57 3.08 -1.25 -2.37 114.38 116.84 2k42 h ARG 66 Ca 0.21 -0.06 -0.11 0.00 0.07 0.00 0.00 59.98 60.09 2k42 h ARG 66 Cb 0.05 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 29.87 2k42 h ARG 66 CO -0.03 0.66 -0.19 1.96 -1.07 0.00 0.00 179.97 181.30 2k42 h GLN 67 N 1.03 0.86 -1.01 0.04 4.20 -1.22 -2.88 115.11 116.14 2k42 h GLN 67 Ca 0.32 -0.37 0.25 0.00 0.06 0.00 0.00 58.65 58.90 2k42 h GLN 67 Cb -0.01 -0.03 -0.08 0.00 0.30 0.00 0.00 27.48 27.66 2k42 h GLN 67 CO -0.09 1.01 0.66 0.93 -0.67 0.00 0.00 178.83 180.67 2k42 h GLU 68 N 0.68 0.38 -0.91 1.46 4.39 -0.87 -0.71 114.58 118.99 2k42 h GLU 68 Ca 0.09 -0.02 0.08 0.00 0.34 0.00 0.00 59.36 59.85 2k42 h GLU 68 Cb 0.75 -0.09 -0.06 0.00 -0.10 0.00 0.00 28.75 29.25 2k42 h GLU 68 CO 0.06 0.25 0.59 0.52 -1.16 0.00 0.00 179.01 179.27 2k42 h MET 69 N 0.39 0.97 -0.12 2.33 2.86 -1.42 0.21 114.93 120.16 2k42 h MET 69 Ca 0.55 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 58.12 2k42 h MET 69 Cb 1.42 -0.22 -0.01 0.00 0.06 0.00 0.00 31.60 32.86 2k42 h MET 69 CO -0.25 0.64 -0.04 2.89 1.06 0.00 0.00 176.91 181.21 2k42 n ARG 70 N -4.51 1.92 0.09 1.72 0.00 -0.41 -4.76 116.66 110.72 2k42 n ARG 70 Ca 0.14 -2.77 0.00 0.00 -0.00 0.00 0.00 57.85 55.22 2k42 n ARG 70 Cb 0.23 -1.66 0.00 0.00 -0.00 0.00 0.00 32.46 31.03 2k42 n ARG 70 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 2k42 n ARG 71 N -1.07 0.00 -0.48 2.89 0.00 -0.43 -5.09 116.66 112.48 2k42 n ARG 71 Ca 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.04 2k42 n ARG 71 Cb 0.76 -0.09 0.00 0.00 0.00 0.00 0.00 32.46 33.14 2k42 n ARG 71 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.63 178.57