#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k42 h HIS 2 N 0.00 0.92 -4.67 1.61 -0.00 -2.13 -3.49 115.15 107.39 2k42 h HIS 2 Ca 0.00 -0.56 0.00 0.00 -0.00 0.00 0.00 60.37 59.81 2k42 h HIS 2 Cb 0.00 -0.08 -0.04 0.00 -0.00 0.00 0.00 27.41 27.29 2k42 h HIS 2 CO 0.00 1.40 -0.98 -0.12 -0.00 0.00 0.00 177.93 178.23 2k42 n MET 3 N -3.90 -3.16 -3.13 5.26 0.00 -1.26 -5.06 117.12 105.87 2k42 n MET 3 Ca -0.13 2.55 -0.09 0.00 -0.00 0.00 0.00 57.70 60.04 2k42 n MET 3 Cb 0.90 -4.45 -0.03 0.00 0.00 0.00 0.00 33.22 29.64 2k42 n MET 3 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 175.97 174.85 2k42 s SER 4 N -1.03 -0.42 0.52 6.12 0.01 -1.26 -5.16 113.70 112.47 2k42 s SER 4 Ca -0.09 -1.60 0.07 0.00 1.31 0.00 0.00 55.95 55.65 2k42 s SER 4 Cb 0.01 1.27 0.04 0.00 0.21 0.00 0.00 66.02 67.54 2k42 s SER 4 CO 0.64 -0.15 0.51 -0.83 0.41 0.00 0.00 173.24 173.81 2k42 s GLY 5 N 1.19 2.13 -0.47 3.44 0.00 -1.26 -4.99 107.32 107.36 2k42 s GLY 5 Ca 0.23 -1.66 -0.07 0.00 0.00 0.00 0.00 44.72 43.21 2k42 s GLY 5 CO -0.07 -1.80 3.41 0.33 0.00 0.00 0.00 173.10 174.98 2k42 n PHE 6 N -1.84 0.73 -0.09 1.90 7.35 -1.26 -3.93 117.46 120.32 2k42 n PHE 6 Ca 0.05 -1.96 -0.24 0.00 -0.76 0.00 0.00 57.45 54.54 2k42 n PHE 6 Cb 0.63 -1.84 -0.12 0.00 0.35 0.00 0.00 39.48 38.50 2k42 n PHE 6 CO 0.00 0.00 0.00 1.63 -0.76 0.00 0.00 176.76 177.63 2k42 n LYS 7 N 2.74 0.62 -2.68 -4.13 5.02 -1.26 -4.63 118.16 113.84 2k42 n LYS 7 Ca 0.53 0.37 -0.40 0.00 -2.02 0.00 0.00 58.31 56.79 2k42 n LYS 7 Cb 0.71 -1.64 -0.05 0.00 -0.02 0.00 0.00 35.03 34.03 2k42 n LYS 7 CO 0.00 0.00 0.00 -3.38 -0.52 0.00 0.00 177.40 173.50 2k42 s HIS 8 N -2.46 3.88 -0.98 2.13 -3.43 -1.25 -3.47 115.29 109.71 2k42 s HIS 8 Ca -0.31 1.86 -0.00 0.00 -0.80 0.00 0.00 55.06 55.80 2k42 s HIS 8 Cb 0.09 -3.06 0.00 0.00 -1.43 0.00 0.00 32.58 28.18 2k42 s HIS 8 CO 0.60 0.20 0.03 0.28 -2.00 0.00 0.00 174.74 173.85 2k42 n VAL 9 N 1.54 -0.59 -1.05 -5.38 0.31 -1.26 -4.89 118.33 107.00 2k42 n VAL 9 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 2k42 n VAL 9 Cb 0.47 -1.91 0.30 0.00 -0.91 0.00 0.00 33.84 31.78 2k42 n VAL 9 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2k42 n SER 10 N -0.24 4.51 0.00 4.52 2.88 -1.23 -4.89 113.62 119.18 2k42 n SER 10 Ca -0.13 -3.18 0.00 0.00 -1.33 0.00 0.00 58.87 54.23 2k42 n SER 10 Cb 0.60 -0.67 0.00 0.00 -0.75 0.00 0.00 64.21 63.39 2k42 n SER 10 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 2k42 n HIS 11 N -0.22 0.00 0.00 0.66 8.25 -1.26 -4.63 115.22 118.02 2k42 n HIS 11 Ca 0.33 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.79 2k42 n HIS 11 Cb 1.20 -0.34 0.00 0.00 1.12 0.00 0.00 29.99 31.97 2k42 n HIS 11 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 2k42 n VAL 12 N -1.80 0.00 0.00 1.59 0.31 -1.26 -1.57 118.33 115.59 2k42 n VAL 12 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2k42 n VAL 12 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 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 0.00 3.55 2.92 0.00 -1.26 -5.06 105.19 105.34 2k42 n GLY 13 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 2.80 -0.12 1.61 -0.00 -0.61 -0.21 118.94 122.41 2k42 s TRP 14 Ca 0.00 -0.09 0.00 0.00 -0.00 0.00 0.00 56.10 56.01 2k42 s TRP 14 Cb 0.00 -1.59 -0.02 0.00 -0.00 0.00 0.00 33.47 31.86 2k42 s TRP 14 CO 0.00 0.32 -0.12 0.34 -0.00 0.00 0.00 176.95 177.49 2k42 s ASP 15 N -1.26 4.11 0.63 5.86 -1.08 0.11 -4.98 116.67 120.07 2k42 s ASP 15 Ca 0.15 -0.28 0.38 0.00 -0.52 0.00 0.00 52.55 52.28 2k42 s ASP 15 Cb -0.11 -1.50 2.14 0.00 -1.46 0.00 0.00 42.92 41.99 2k42 s ASP 15 CO 0.05 0.20 2.31 1.55 0.52 0.00 0.00 175.17 179.80 2k42 h PRO 16 N 6.46 0.00 0.00 4.34 0.13 -1.96 -2.29 132.00 138.68 2k42 h PRO 16 Ca -0.30 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.50 2k42 h PRO 16 Cb 1.20 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.27 2k42 h PRO 16 CO 0.55 0.00 -2.22 0.94 -0.23 0.00 0.00 178.00 177.05 2k42 n GLN 17 N -3.41 0.52 0.00 0.86 -0.06 -1.26 -4.88 117.38 109.15 2k42 n GLN 17 Ca -0.03 0.14 0.00 0.00 -2.00 0.00 0.00 57.00 55.11 2k42 n GLN 17 Cb 0.09 -1.40 0.00 0.00 -4.06 0.00 0.00 30.24 24.86 2k42 n GLN 17 CO 0.00 0.00 0.00 0.09 -0.20 0.00 0.00 177.06 176.95 2k42 n ASN 18 N -3.30 0.00 0.00 1.69 3.02 -1.15 -4.12 115.26 111.39 2k42 n ASN 18 Ca -0.39 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.16 2k42 n ASN 18 Cb 0.88 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 40.05 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 2.63 -0.58 3.77 7.41 0.00 -0.87 -3.25 105.19 114.31 2k42 n GLY 19 Ca 0.00 -0.56 -0.38 0.00 0.00 0.00 0.00 46.02 45.09 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 -4.00 3.68 -0.91 1.61 0.08 -0.57 0.08 117.98 117.94 2k42 s PHE 20 Ca 0.00 1.78 -0.24 0.00 0.12 0.00 0.00 56.93 58.59 2k42 s PHE 20 Cb 0.00 -2.99 -0.01 0.00 -0.57 0.00 0.00 43.02 39.45 2k42 s PHE 20 CO 0.00 0.08 1.76 0.34 -0.10 0.00 0.00 175.22 177.30 2k42 s ASP 21 N -1.48 5.62 0.55 1.36 -1.08 0.71 -4.75 116.67 117.59 2k42 s ASP 21 Ca 0.49 -0.84 0.36 0.00 -0.52 0.00 0.00 52.55 52.04 2k42 s ASP 21 Cb -0.21 -2.56 1.69 0.00 -1.46 0.00 0.00 42.92 40.38 2k42 s ASP 21 CO 0.27 -2.29 2.07 -0.37 0.52 0.00 0.00 175.17 175.37 2k42 h VAL 22 N 7.04 0.00 -0.31 1.11 -1.51 -1.92 -0.48 116.25 120.18 2k42 h VAL 22 Ca 0.09 -0.28 0.00 0.00 -1.23 0.00 0.00 66.70 65.29 2k42 h VAL 22 Cb 1.02 1.22 0.00 0.00 -2.13 0.00 0.00 31.29 31.40 2k42 h VAL 22 CO 1.28 0.00 0.00 -0.46 -1.23 0.00 0.00 177.57 177.16 2k42 n ASN 23 N -2.95 2.19 -0.45 4.19 6.94 -1.26 -3.48 115.26 120.44 2k42 n ASN 23 Ca -0.01 -1.87 0.03 0.00 -0.02 0.00 0.00 54.58 52.71 2k42 n ASN 23 Cb 0.20 -0.20 0.04 0.00 -2.36 0.00 0.00 39.78 37.46 2k42 n ASN 23 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 2k42 n ASN 24 N 0.67 0.66 -4.77 0.53 3.02 -0.24 -5.10 115.26 110.03 2k42 n ASN 24 Ca 0.16 -2.30 -0.41 0.00 -0.03 0.00 0.00 54.58 52.00 2k42 n ASN 24 Cb 0.38 -0.27 -0.02 0.00 -0.61 0.00 0.00 39.78 39.27 2k42 n ASN 24 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2k42 s LEU 25 N -0.76 4.41 0.27 3.41 1.43 -0.89 -4.99 118.68 121.56 2k42 s LEU 25 Ca 0.10 2.72 -0.29 0.00 -1.03 0.00 0.00 54.13 55.64 2k42 s LEU 25 Cb 0.10 -3.65 -0.09 0.00 0.03 0.00 0.00 46.19 42.58 2k42 s LEU 25 CO -0.00 -0.60 0.99 -0.62 0.23 0.00 0.00 176.35 176.35 2k42 s ASP 26 N -0.30 7.45 0.28 2.29 -1.08 -1.26 -4.87 116.67 119.18 2k42 s ASP 26 Ca 0.51 2.03 -0.03 0.00 -0.52 0.00 0.00 52.55 54.54 2k42 s ASP 26 Cb -0.41 -2.61 0.59 0.00 -1.46 0.00 0.00 42.92 39.03 2k42 s ASP 26 CO 0.52 0.01 1.61 -0.65 0.52 0.00 0.00 175.17 177.18 2k42 h PRO 27 N 3.83 0.07 -0.10 4.34 0.11 -1.98 0.32 132.00 138.59 2k42 h PRO 27 Ca -0.46 -0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.60 2k42 h PRO 27 Cb 1.20 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 2k42 h PRO 27 CO 0.67 0.05 -0.11 -0.44 -0.21 0.00 0.00 178.00 177.96 2k42 h ASP 28 N 0.07 0.27 -0.50 -2.05 3.32 -1.99 -0.73 116.42 114.82 2k42 h ASP 28 Ca 0.50 -0.49 0.10 0.00 0.02 0.00 0.00 57.03 57.17 2k42 h ASP 28 Cb 0.96 -0.08 -0.09 0.00 0.22 0.00 0.00 39.33 40.34 2k42 h ASP 28 CO -0.79 0.70 -0.10 -0.07 -1.72 0.00 0.00 179.24 177.26 2k42 h LEU 29 N -0.15 -0.42 -0.88 1.55 4.07 -1.71 0.52 115.31 118.29 2k42 h LEU 29 Ca 0.02 0.15 0.05 0.00 0.08 0.00 0.00 57.88 58.17 2k42 h LEU 29 Cb 0.63 0.29 -0.06 0.00 1.08 0.00 0.00 40.66 42.60 2k42 h LEU 29 CO 0.03 -0.15 0.56 -0.09 -1.08 0.00 0.00 178.44 177.71 2k42 h ARG 30 N 0.02 1.03 -0.04 1.13 1.12 -0.18 0.40 114.38 117.85 2k42 h ARG 30 Ca 0.24 -0.06 -0.01 0.00 -1.11 0.00 0.00 59.98 59.04 2k42 h ARG 30 Cb 0.37 -0.23 -0.00 0.00 -0.01 0.00 0.00 29.97 30.10 2k42 h ARG 30 CO -0.50 0.68 -0.03 1.03 -3.11 0.00 0.00 179.97 178.05 2k42 h SER 31 N 1.06 0.10 0.69 -3.80 0.87 -0.15 -2.74 113.55 109.58 2k42 h SER 31 Ca 0.36 -0.44 -0.03 0.00 -1.23 0.00 0.00 61.79 60.46 2k42 h SER 31 Cb 0.07 -0.03 0.01 0.00 -0.44 0.00 0.00 62.40 62.01 2k42 h SER 31 CO -0.14 0.51 -0.34 0.25 -0.53 0.00 0.00 176.83 176.59 2k42 h LEU 32 N -0.31 -0.80 -0.97 2.23 7.12 0.50 0.95 115.31 124.02 2k42 h LEU 32 Ca 0.01 0.03 -0.00 0.00 0.13 0.00 0.00 57.88 58.05 2k42 h LEU 32 Cb 0.48 0.21 -0.05 0.00 -0.53 0.00 0.00 40.66 40.77 2k42 h LEU 32 CO 0.01 -0.57 0.60 -0.26 -0.13 0.00 0.00 178.44 178.09 2k42 h PHE 33 N -0.93 1.26 -0.73 1.25 0.04 -1.06 0.30 116.94 117.07 2k42 h PHE 33 Ca -0.09 0.01 -0.06 0.00 2.80 0.00 0.00 57.97 60.62 2k42 h PHE 33 Cb 0.72 -0.42 -0.03 0.00 2.20 0.00 0.00 35.95 38.42 2k42 h PHE 33 CO -0.03 0.82 0.22 1.03 -0.60 0.00 0.00 178.31 179.76 2k42 h SER 34 N 1.33 1.05 -0.74 2.17 0.87 -1.27 0.43 113.55 117.38 2k42 h SER 34 Ca 0.35 -0.20 -0.05 0.00 -1.23 0.00 0.00 61.79 60.66 2k42 h SER 34 Cb -0.08 -0.27 -0.03 0.00 -0.44 0.00 0.00 62.40 61.57 2k42 h SER 34 CO -0.07 0.98 0.27 0.03 -0.53 0.00 0.00 176.83 177.51 2k42 h ARG 35 N 1.08 1.13 0.00 2.24 3.08 0.17 -2.64 114.38 119.44 2k42 h ARG 35 Ca 0.23 -0.22 0.00 0.00 0.07 0.00 0.00 59.98 60.07 2k42 h ARG 35 Cb 0.30 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.18 2k42 h ARG 35 CO -0.01 0.94 0.00 0.00 -1.07 0.00 0.00 179.97 179.83 2k42 h ALA 36 N 1.19 1.00 0.00 0.04 0.00 -0.41 -3.46 119.26 117.63 2k42 h ALA 36 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.16 2k42 h ALA 36 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2k42 h ALA 36 CO -0.02 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.64 2k42 n GLY 37 N 0.21 0.62 3.63 0.00 0.00 -0.69 -5.06 105.19 103.91 2k42 n GLY 37 Ca 0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.00 3.88 0.75 -0.61 1.01 0.06 -4.97 121.20 119.32 2k42 s ILE 38 Ca 0.00 1.00 -0.02 0.00 0.00 0.00 0.00 60.65 61.64 2k42 s ILE 38 Cb 0.00 -3.88 0.14 0.00 0.01 0.00 0.00 42.46 38.73 2k42 s ILE 38 CO 0.00 -0.35 1.03 -0.55 0.00 0.00 0.00 174.94 175.07 2k42 s SER 39 N 3.58 4.18 0.15 3.58 0.15 -1.26 -3.83 113.70 120.24 2k42 s SER 39 Ca 0.65 -0.39 -0.17 0.00 0.70 0.00 0.00 55.95 56.74 2k42 s SER 39 Cb -0.22 0.09 0.04 0.00 -1.71 0.00 0.00 66.02 64.22 2k42 s SER 39 CO 0.26 -1.99 1.76 -0.08 1.20 0.00 0.00 173.24 174.39 2k42 h GLU 40 N -0.64 0.27 -0.33 5.44 4.81 -1.96 0.31 114.58 122.48 2k42 h GLU 40 Ca -0.36 -0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 58.75 2k42 h GLU 40 Cb 1.26 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.57 2k42 h GLU 40 CO 0.38 0.18 -0.19 0.00 -0.73 0.00 0.00 179.01 178.66 2k42 h ALA 41 N 1.20 0.46 -0.94 2.92 0.00 -1.94 -2.29 119.26 118.67 2k42 h ALA 41 Ca 0.15 -0.36 0.06 0.00 0.00 0.00 0.00 54.91 54.77 2k42 h ALA 41 Cb 0.10 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.72 2k42 h ALA 41 CO -0.14 0.40 0.60 0.37 0.00 0.00 0.00 179.25 180.48 2k42 h GLN 42 N 0.47 1.06 0.00 0.00 4.15 -1.82 0.41 115.11 119.38 2k42 h GLN 42 Ca 0.07 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.43 2k42 h GLN 42 Cb 0.73 -0.24 0.00 0.00 0.21 0.00 0.00 27.48 28.18 2k42 h GLN 42 CO 0.05 0.70 0.00 -0.11 -1.93 0.00 0.00 178.83 177.54 2k42 n LEU 43 N -4.55 0.00 -0.44 -2.39 7.94 0.10 -1.50 117.00 116.17 2k42 n LEU 43 Ca 0.14 0.12 0.07 0.00 -1.11 0.00 0.00 56.01 55.23 2k42 n LEU 43 Cb 0.18 -0.12 0.13 0.00 0.53 0.00 0.00 43.42 44.14 2k42 n LEU 43 CO 0.32 -0.03 0.41 0.35 -1.11 0.00 0.00 177.39 177.32 2k42 n THR 44 N -1.12 1.51 -3.11 1.96 -2.24 0.04 -1.51 114.28 109.81 2k42 n THR 44 Ca 0.15 -2.09 -0.38 0.00 -2.27 0.00 0.00 64.05 59.46 2k42 n THR 44 Cb 0.12 -0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.29 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 -2.62 7.15 0.09 3.42 2.15 -0.56 -4.31 116.67 121.99 2k42 s ASP 45 Ca 0.29 1.44 -0.34 0.00 0.43 0.00 0.00 52.55 54.38 2k42 s ASP 45 Cb 0.28 -2.42 -0.15 0.00 -0.30 0.00 0.00 42.92 40.33 2k42 s ASP 45 CO -0.02 0.13 1.58 0.00 -0.17 0.00 0.00 175.17 176.69 2k42 h ALA 46 N 3.90 -0.95 0.02 3.66 0.00 -1.70 0.54 119.26 124.73 2k42 h ALA 46 Ca -0.48 -0.15 -0.25 0.00 0.00 0.00 0.00 54.91 54.04 2k42 h ALA 46 Cb 1.20 0.66 0.02 0.00 0.00 0.00 0.00 17.79 19.67 2k42 h ALA 46 CO 0.65 -1.08 -0.98 1.05 0.00 0.00 0.00 179.25 178.89 2k42 h GLU 47 N -0.86 0.63 0.03 0.00 4.11 -1.90 -2.57 114.58 114.02 2k42 h GLU 47 Ca -0.03 -0.70 0.03 0.00 0.07 0.00 0.00 59.36 58.72 2k42 h GLU 47 Cb 0.78 0.21 -0.05 0.00 0.50 0.00 0.00 28.75 30.18 2k42 h GLU 47 CO -0.10 1.29 -0.34 1.15 0.07 0.00 0.00 179.01 181.08 2k42 h THR 48 N 0.26 0.27 -0.57 -1.06 2.02 -1.82 -0.63 112.91 111.38 2k42 h THR 48 Ca -0.13 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.00 2k42 h THR 48 Cb 1.65 0.27 -0.02 0.00 -1.74 0.00 0.00 68.15 68.31 2k42 h THR 48 CO 0.19 0.00 0.17 0.28 0.37 0.00 0.00 175.52 176.53 2k42 h SER 49 N -0.52 0.83 -0.52 4.18 0.02 -0.96 0.23 113.55 116.82 2k42 h SER 49 Ca 0.05 -0.21 -0.01 0.00 -0.84 0.00 0.00 61.79 60.78 2k42 h SER 49 Cb 0.59 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.88 2k42 h SER 49 CO -0.26 0.83 0.30 0.50 -1.14 0.00 0.00 176.83 177.06 2k42 h LYS 50 N 0.80 0.74 0.00 3.45 3.64 -1.24 0.12 116.57 124.08 2k42 h LYS 50 Ca 0.18 -0.07 -0.25 0.00 -1.27 0.00 0.00 60.65 59.25 2k42 h LYS 50 Cb 0.30 -0.15 -0.04 0.00 -0.41 0.00 0.00 32.23 31.93 2k42 h LYS 50 CO -0.00 0.54 -1.39 -0.07 -2.27 0.00 0.00 179.45 176.25 2k42 h LEU 51 N 0.75 0.00 -0.19 5.20 3.38 -0.64 -1.51 115.31 122.30 2k42 h LEU 51 Ca 0.19 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 2k42 h LEU 51 Cb 0.01 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 2k42 h LEU 51 CO -0.03 0.95 0.09 0.40 0.09 0.00 0.00 178.44 179.93 2k42 h ILE 52 N 0.00 1.13 -0.59 1.22 2.04 -0.15 0.18 117.51 121.34 2k42 h ILE 52 Ca -0.17 -0.37 -0.01 0.00 1.00 0.00 0.00 64.86 65.32 2k42 h ILE 52 Cb 1.87 1.03 -0.03 0.00 -0.74 0.00 0.00 36.82 38.95 2k42 h ILE 52 CO 0.09 0.12 0.35 0.22 0.00 0.00 0.00 178.15 178.94 2k42 h TYR 53 N 0.18 0.79 -0.72 1.37 3.20 -1.02 0.10 116.97 120.87 2k42 h TYR 53 Ca 0.06 -0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.00 2k42 h TYR 53 Cb 0.11 -0.26 -0.06 0.00 1.54 0.00 0.00 36.73 38.06 2k42 h TYR 53 CO -0.03 0.55 0.39 0.22 -1.64 0.00 0.00 178.16 177.65 2k42 h ASP 54 N 0.80 0.56 0.27 -2.11 3.58 -1.16 0.63 116.42 119.00 2k42 h ASP 54 Ca 0.21 0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.70 2k42 h ASP 54 Cb -0.00 -0.07 -0.02 0.00 1.72 0.00 0.00 39.33 40.96 2k42 h ASP 54 CO -0.04 0.35 -0.28 0.15 -2.88 0.00 0.00 179.24 176.54 2k42 h PHE 55 N 0.70 -0.74 -0.59 0.28 3.57 0.31 0.19 116.94 120.66 2k42 h PHE 55 Ca 0.34 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.86 2k42 h PHE 55 Cb 0.27 0.29 -0.03 0.00 2.79 0.00 0.00 35.95 39.26 2k42 h PHE 55 CO -0.08 -0.40 0.37 0.82 -2.23 0.00 0.00 178.31 176.79 2k42 h ILE 56 N -0.58 1.10 -0.71 1.41 2.04 -0.24 0.24 117.51 120.76 2k42 h ILE 56 Ca -0.01 -0.25 -0.07 0.00 1.00 0.00 0.00 64.86 65.53 2k42 h ILE 56 Cb 0.54 0.29 -0.03 0.00 -0.74 0.00 0.00 36.82 36.88 2k42 h ILE 56 CO -0.06 0.14 0.18 -0.08 0.00 0.00 0.00 178.15 178.32 2k42 h GLU 57 N 0.74 1.13 -0.77 2.37 4.81 -0.81 0.46 114.58 122.51 2k42 h GLU 57 Ca 0.23 -0.27 -0.02 0.00 -0.13 0.00 0.00 59.36 59.17 2k42 h GLU 57 Cb -0.02 -0.15 -0.04 0.00 0.63 0.00 0.00 28.75 29.17 2k42 h GLU 57 CO -0.08 1.00 0.39 0.22 -0.73 0.00 0.00 179.01 179.81 2k42 h ASP 58 N 1.07 0.98 0.57 1.04 1.82 0.47 -1.99 116.42 120.39 2k42 h ASP 58 Ca 0.22 -0.10 0.00 0.00 -0.39 0.00 0.00 57.03 56.76 2k42 h ASP 58 Cb 0.37 -0.25 0.00 0.00 0.68 0.00 0.00 39.33 40.13 2k42 h ASP 58 CO 0.00 0.81 0.00 1.56 -1.61 0.00 0.00 179.24 180.00 2k42 h GLN 59 N 1.09 0.00 0.00 0.28 1.08 -0.18 -3.45 115.11 113.94 2k42 h GLN 59 Ca 0.27 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.47 2k42 h GLN 59 Cb 0.07 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.50 2k42 h GLN 59 CO -0.04 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 178.25 2k42 n GLY 60 N -0.39 0.97 0.00 3.46 0.00 -0.75 -4.83 105.19 103.66 2k42 n GLY 60 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.45 0.13 -0.02 0.00 0.12 -4.69 105.19 101.01 2k42 n GLY 61 Ca 0.00 -2.24 -0.14 0.00 0.00 0.00 0.00 46.02 43.64 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 0.35 -1.79 0.99 4.07 -1.85 -3.04 115.31 114.05 2k42 h LEU 62 Ca 0.00 -0.55 0.04 0.00 0.08 0.00 0.00 57.88 57.45 2k42 h LEU 62 Cb 0.00 -0.10 -0.02 0.00 1.08 0.00 0.00 40.66 41.62 2k42 h LEU 62 CO 0.00 0.83 0.22 -0.33 -1.08 0.00 0.00 178.44 178.09 2k42 h GLU 63 N -0.11 0.26 0.32 1.13 3.07 -1.93 -2.85 114.58 114.46 2k42 h GLU 63 Ca 0.01 -0.02 -0.02 0.00 -0.50 0.00 0.00 59.36 58.84 2k42 h GLU 63 Cb 0.77 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.62 2k42 h GLU 63 CO 0.04 0.17 -0.15 0.00 -1.40 0.00 0.00 179.01 177.67 2k42 h ALA 64 N 1.82 -0.42 -0.12 3.43 0.00 -1.81 -2.43 119.26 119.73 2k42 h ALA 64 Ca 0.14 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 2k42 h ALA 64 Cb 0.22 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2k42 h ALA 64 CO -0.03 -0.64 -0.43 -0.39 0.00 0.00 0.00 179.25 177.76 2k42 h VAL 65 N -0.62 1.32 0.00 0.00 -1.51 -1.56 -2.01 116.25 111.87 2k42 h VAL 65 Ca -0.04 -1.57 -0.02 0.00 -1.23 0.00 0.00 66.70 63.83 2k42 h VAL 65 Cb 0.44 1.70 -0.00 0.00 -2.13 0.00 0.00 31.29 31.30 2k42 h VAL 65 CO 0.07 0.47 -0.11 0.03 -1.23 0.00 0.00 177.57 176.80 2k42 h ARG 66 N 0.23 0.00 0.06 5.19 3.08 -1.42 -1.31 114.38 120.21 2k42 h ARG 66 Ca 0.02 0.00 -0.26 0.00 0.07 0.00 0.00 59.98 59.81 2k42 h ARG 66 Cb 0.86 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.89 2k42 h ARG 66 CO 0.07 0.11 -1.27 1.96 -1.07 0.00 0.00 179.97 179.77 2k42 h GLN 67 N 0.00 0.13 0.00 0.04 4.20 -0.88 -3.25 115.11 115.36 2k42 h GLN 67 Ca -0.00 -0.22 -0.06 0.00 0.06 0.00 0.00 58.65 58.43 2k42 h GLN 67 Cb 0.22 0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.07 2k42 h GLN 67 CO 0.01 1.02 -0.29 0.93 -0.67 0.00 0.00 178.83 179.83 2k42 h GLU 68 N 0.03 0.00 0.00 1.46 5.08 -0.72 -0.78 114.58 119.65 2k42 h GLU 68 Ca -0.13 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.21 2k42 h GLU 68 Cb 1.91 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.16 2k42 h GLU 68 CO 0.15 0.29 -0.09 0.52 -1.00 0.00 0.00 179.01 178.89 2k42 h MET 69 N 0.00 0.00 -0.57 2.33 2.86 -1.31 0.52 114.93 118.76 2k42 h MET 69 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2k42 h MET 69 Cb 0.56 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.22 2k42 h MET 69 CO 0.04 0.09 0.00 0.54 1.06 0.00 0.00 176.91 178.63 2k42 n ARG 70 N -4.37 3.55 0.00 1.72 1.74 -0.40 -4.81 116.66 114.09 2k42 n ARG 70 Ca -0.03 -2.79 0.00 0.00 -0.77 0.00 0.00 57.85 54.27 2k42 n ARG 70 Cb 0.16 -1.81 0.00 0.00 -1.02 0.00 0.00 32.46 29.79 2k42 n ARG 70 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 2k42 n ARG 71 N 0.85 0.00 0.00 5.56 0.63 -0.02 -5.06 116.66 118.63 2k42 n ARG 71 Ca 0.24 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.17 2k42 n ARG 71 Cb 0.84 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.75 2k42 n ARG 71 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12