#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k42 n HIS 2 N 0.00 2.07 -3.46 1.61 8.25 -1.26 -4.97 115.22 117.47 2k42 n HIS 2 Ca 0.00 -3.05 -0.18 0.00 -0.26 0.00 0.00 57.72 54.24 2k42 n HIS 2 Cb 0.00 -0.28 0.08 0.00 1.12 0.00 0.00 29.99 30.91 2k42 n HIS 2 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 2k42 n MET 3 N -0.20 -6.12 -0.06 -0.41 0.00 -1.26 -4.93 117.12 104.14 2k42 n MET 3 Ca 0.22 0.82 -0.05 0.00 0.00 0.00 0.00 57.70 58.69 2k42 n MET 3 Cb 0.73 -5.76 -0.12 0.00 0.00 0.00 0.00 33.22 28.06 2k42 n MET 3 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 175.97 176.40 2k42 n SER 4 N -3.12 1.33 -3.16 7.83 7.64 -1.26 -4.75 113.62 118.14 2k42 n SER 4 Ca -0.28 0.00 -0.23 0.00 1.01 0.00 0.00 58.87 59.37 2k42 n SER 4 Cb 0.67 0.99 -0.05 0.00 -1.01 0.00 0.00 64.21 64.81 2k42 n SER 4 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2k42 n GLY 5 N 2.02 4.23 2.80 0.23 0.00 -1.26 -4.97 105.19 108.23 2k42 n GLY 5 Ca -0.21 -2.16 -0.37 0.00 0.00 0.00 0.00 46.02 43.28 2k42 n GLY 5 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2k42 n PHE 6 N 0.45 2.75 0.04 1.61 3.72 -1.26 -4.70 117.46 120.07 2k42 n PHE 6 Ca 0.27 -3.11 -0.09 0.00 -0.05 0.00 0.00 57.45 54.47 2k42 n PHE 6 Cb 0.52 -1.01 0.05 0.00 -0.94 0.00 0.00 39.48 38.10 2k42 n PHE 6 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 2k42 h LYS 7 N 4.91 0.43 -5.65 -1.08 1.79 -2.01 -3.44 116.57 111.52 2k42 h LYS 7 Ca 0.21 -0.31 -0.50 0.00 -2.18 0.00 0.00 60.65 57.87 2k42 h LYS 7 Cb 0.61 0.05 -0.25 0.00 -1.58 0.00 0.00 32.23 31.07 2k42 h LYS 7 CO 1.16 0.93 -0.81 -1.01 -1.08 0.00 0.00 179.45 178.64 2k42 s HIS 8 N -3.77 1.47 0.00 -1.35 3.76 -1.26 -5.01 115.29 109.13 2k42 s HIS 8 Ca -0.06 -0.37 0.00 0.00 -0.15 0.00 0.00 55.06 54.48 2k42 s HIS 8 Cb 0.11 -0.86 0.00 0.00 1.11 0.00 0.00 32.58 32.94 2k42 s HIS 8 CO 0.83 0.07 0.35 1.55 -0.85 0.00 0.00 174.74 176.70 2k42 n VAL 9 N 1.78 0.00 0.86 -0.90 3.14 -1.26 -4.85 118.33 117.09 2k42 n VAL 9 Ca -0.18 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.20 2k42 n VAL 9 Cb 0.54 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.32 2k42 n VAL 9 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 2k42 n SER 10 N 0.00 1.15 -0.61 6.55 7.64 -1.26 -4.73 113.62 122.35 2k42 n SER 10 Ca 0.00 -1.72 -0.08 0.00 1.01 0.00 0.00 58.87 58.09 2k42 n SER 10 Cb 0.39 -0.43 -0.03 0.00 -1.01 0.00 0.00 64.21 63.13 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 0.15 -0.03 -1.81 1.43 8.25 -1.26 -3.20 115.22 118.75 2k42 n HIS 11 Ca 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.42 2k42 n HIS 11 Cb 0.25 -2.44 -0.01 0.00 1.12 0.00 0.00 29.99 28.91 2k42 n HIS 11 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31 2k42 n VAL 12 N -2.01 -0.10 -1.83 1.59 0.24 -1.26 0.18 118.33 115.13 2k42 n VAL 12 Ca -0.08 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.09 2k42 n VAL 12 Cb 0.53 -0.49 -0.03 0.00 -1.47 0.00 0.00 33.84 32.38 2k42 n VAL 12 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2k42 n GLY 13 N -0.34 0.57 3.77 7.63 0.00 -1.19 -4.74 105.19 110.89 2k42 n GLY 13 Ca -0.04 -0.38 -0.38 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.57 3.61 -0.09 1.61 -0.00 0.13 -1.95 118.94 119.68 2k42 s TRP 14 Ca 0.00 0.94 0.02 0.00 -0.00 0.00 0.00 56.10 57.05 2k42 s TRP 14 Cb 0.00 -2.44 -0.02 0.00 -0.00 0.00 0.00 33.47 31.00 2k42 s TRP 14 CO 0.00 0.37 -0.13 0.34 -0.00 0.00 0.00 176.95 177.52 2k42 s ASP 15 N -0.10 4.06 0.60 5.86 -1.08 0.17 -4.97 116.67 121.20 2k42 s ASP 15 Ca 0.25 -0.25 0.30 0.00 -0.52 0.00 0.00 52.55 52.33 2k42 s ASP 15 Cb -0.16 -1.23 1.72 0.00 -1.46 0.00 0.00 42.92 41.78 2k42 s ASP 15 CO 0.12 0.26 2.12 1.55 0.52 0.00 0.00 175.17 179.74 2k42 h PRO 16 N 6.00 0.00 0.00 4.34 0.13 -1.98 0.35 132.00 140.85 2k42 h PRO 16 Ca -0.36 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 64.40 2k42 h PRO 16 Cb 1.18 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.26 2k42 h PRO 16 CO 0.53 0.00 -2.21 1.04 -0.23 0.00 0.00 178.00 177.13 2k42 n GLN 17 N -3.72 0.46 0.00 0.86 6.02 -1.26 -4.64 117.38 115.09 2k42 n GLN 17 Ca 0.01 0.20 0.13 0.00 -0.01 0.00 0.00 57.00 57.32 2k42 n GLN 17 Cb 0.29 -1.28 0.41 0.00 1.02 0.00 0.00 30.24 30.68 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 -3.91 0.80 0.00 1.08 4.13 -1.20 -3.83 115.26 112.33 2k42 n ASN 18 Ca -0.42 -0.68 0.00 0.00 1.68 0.00 0.00 54.58 55.16 2k42 n ASN 18 Cb 0.81 0.09 0.00 0.00 -1.54 0.00 0.00 39.78 39.14 2k42 n ASN 18 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2k42 n GLY 19 N 1.36 -0.01 3.69 7.41 0.00 0.12 -3.95 105.19 113.81 2k42 n GLY 19 Ca 0.11 -1.02 -0.42 0.00 0.00 0.00 0.00 46.02 44.69 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 3.50 -0.52 1.61 0.08 0.66 0.41 117.98 123.72 2k42 s PHE 20 Ca 0.00 1.53 -0.27 0.00 0.12 0.00 0.00 56.93 58.31 2k42 s PHE 20 Cb 0.00 -3.15 -0.03 0.00 -0.57 0.00 0.00 43.02 39.27 2k42 s PHE 20 CO 0.00 -0.22 1.95 0.34 -0.10 0.00 0.00 175.22 177.20 2k42 s ASP 21 N 1.10 5.26 0.49 1.36 -1.08 -0.82 -4.49 116.67 118.49 2k42 s ASP 21 Ca 0.46 0.73 0.20 0.00 -0.52 0.00 0.00 52.55 53.42 2k42 s ASP 21 Cb -0.18 -2.52 1.24 0.00 -1.46 0.00 0.00 42.92 40.00 2k42 s ASP 21 CO 0.17 -2.31 2.05 -0.37 0.52 0.00 0.00 175.17 175.23 2k42 h VAL 22 N 7.02 0.88 -0.01 1.11 -1.51 -1.91 -0.32 116.25 121.51 2k42 h VAL 22 Ca -0.28 -0.51 0.00 0.00 -1.23 0.00 0.00 66.70 64.68 2k42 h VAL 22 Cb 1.18 1.29 0.00 0.00 -2.13 0.00 0.00 31.29 31.64 2k42 h VAL 22 CO 1.16 0.14 -0.31 -0.46 -1.23 0.00 0.00 177.57 176.86 2k42 n ASN 23 N -4.05 1.07 -0.17 4.19 6.94 -1.26 -3.46 115.26 118.51 2k42 n ASN 23 Ca -0.02 -0.89 0.09 0.00 -0.02 0.00 0.00 54.58 53.74 2k42 n ASN 23 Cb 0.22 0.19 0.15 0.00 -2.36 0.00 0.00 39.78 37.98 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 -0.69 2.19 -4.76 0.53 3.02 -0.40 -5.06 115.26 110.10 2k42 n ASN 24 Ca 0.11 -3.21 -0.41 0.00 -0.03 0.00 0.00 54.58 51.04 2k42 n ASN 24 Cb 0.36 -0.44 -0.03 0.00 -0.61 0.00 0.00 39.78 39.05 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 -2.88 4.47 0.34 3.41 1.43 -0.27 -4.80 118.68 120.37 2k42 s LEU 25 Ca 0.33 2.48 -0.29 0.00 -1.03 0.00 0.00 54.13 55.62 2k42 s LEU 25 Cb 0.29 -3.63 -0.11 0.00 0.03 0.00 0.00 46.19 42.77 2k42 s LEU 25 CO 0.01 -0.40 1.41 -0.62 0.23 0.00 0.00 176.35 176.98 2k42 s ASP 26 N -0.44 6.57 0.26 2.29 -1.08 -1.26 -4.74 116.67 118.26 2k42 s ASP 26 Ca 0.49 2.85 -0.09 0.00 -0.52 0.00 0.00 52.55 55.27 2k42 s ASP 26 Cb -0.36 -2.65 0.40 0.00 -1.46 0.00 0.00 42.92 38.85 2k42 s ASP 26 CO 0.46 -0.71 1.58 -0.65 0.52 0.00 0.00 175.17 176.37 2k42 h PRO 27 N 3.48 0.00 -0.44 4.34 0.11 -1.98 0.42 132.00 137.92 2k42 h PRO 27 Ca -0.49 -0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.48 2k42 h PRO 27 Cb 1.23 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 2k42 h PRO 27 CO 0.67 0.00 -0.28 -0.44 -0.21 0.00 0.00 178.00 177.74 2k42 h ASP 28 N 0.00 0.99 -0.41 -2.05 3.32 -1.99 -1.23 116.42 115.05 2k42 h ASP 28 Ca 0.43 -0.40 -0.02 0.00 0.02 0.00 0.00 57.03 57.06 2k42 h ASP 28 Cb 0.67 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.92 2k42 h ASP 28 CO -0.91 1.20 0.19 -0.07 -1.72 0.00 0.00 179.24 177.92 2k42 h LEU 29 N 0.80 0.54 -1.04 1.55 3.38 -1.33 0.27 115.31 119.48 2k42 h LEU 29 Ca 0.09 -0.13 0.07 0.00 0.09 0.00 0.00 57.88 57.99 2k42 h LEU 29 Cb 0.86 -0.14 -0.07 0.00 0.09 0.00 0.00 40.66 41.41 2k42 h LEU 29 CO 0.08 0.52 0.64 -0.09 0.09 0.00 0.00 178.44 179.67 2k42 h ARG 30 N 0.52 1.11 -0.03 1.13 9.65 -0.03 -1.63 114.38 125.10 2k42 h ARG 30 Ca 0.14 -0.07 -0.04 0.00 -1.10 0.00 0.00 59.98 58.91 2k42 h ARG 30 Cb 0.13 -0.25 0.00 0.00 -1.39 0.00 0.00 29.97 28.46 2k42 h ARG 30 CO -0.02 0.73 -0.14 1.03 2.80 0.00 0.00 179.97 184.37 2k42 h SER 31 N 1.14 0.17 0.69 -3.80 0.87 -0.80 -3.29 113.55 108.54 2k42 h SER 31 Ca 0.43 -0.67 -0.03 0.00 -1.23 0.00 0.00 61.79 60.28 2k42 h SER 31 Cb 0.18 -0.05 0.01 0.00 -0.44 0.00 0.00 62.40 62.10 2k42 h SER 31 CO -0.17 0.81 -0.33 0.25 -0.53 0.00 0.00 176.83 176.87 2k42 h LEU 32 N -0.45 -0.78 -1.56 2.23 5.85 -0.11 -2.04 115.31 118.44 2k42 h LEU 32 Ca -0.01 0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.74 2k42 h LEU 32 Cb 0.81 0.20 -0.02 0.00 0.37 0.00 0.00 40.66 42.02 2k42 h LEU 32 CO 0.03 -0.54 0.31 -0.26 -0.34 0.00 0.00 178.44 177.65 2k42 h PHE 33 N -0.96 0.56 -0.58 1.25 0.04 -1.47 0.31 116.94 116.09 2k42 h PHE 33 Ca -0.09 0.01 -0.06 0.00 2.80 0.00 0.00 57.97 60.63 2k42 h PHE 33 Cb 0.72 -0.19 -0.02 0.00 2.20 0.00 0.00 35.95 38.65 2k42 h PHE 33 CO -0.02 0.35 0.15 0.77 -0.60 0.00 0.00 178.31 178.95 2k42 h SER 34 N 0.60 0.88 -0.64 2.17 0.02 -1.60 -0.76 113.55 114.23 2k42 h SER 34 Ca 0.18 -0.23 -0.07 0.00 -0.84 0.00 0.00 61.79 60.83 2k42 h SER 34 Cb -0.01 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.27 2k42 h SER 34 CO -0.04 0.88 0.13 0.03 -1.14 0.00 0.00 176.83 176.69 2k42 h ARG 35 N 0.84 1.07 0.00 3.45 3.08 0.12 -2.75 114.38 120.19 2k42 h ARG 35 Ca 0.18 -0.27 0.00 0.00 0.07 0.00 0.00 59.98 59.97 2k42 h ARG 35 Cb 0.34 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.25 2k42 h ARG 35 CO 0.00 0.97 0.00 0.00 -1.07 0.00 0.00 179.97 179.87 2k42 n ALA 36 N -2.46 1.69 0.00 0.04 0.00 0.77 -4.85 120.51 115.70 2k42 n ALA 36 Ca 0.05 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.54 2k42 n ALA 36 Cb 0.28 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.36 2k42 n ALA 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k42 n GLY 37 N 0.06 1.78 3.58 0.00 0.00 -0.95 -5.02 105.19 104.63 2k42 n GLY 37 Ca 0.02 0.00 -0.41 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 -2.49 3.24 0.85 -0.61 1.01 -0.33 -4.97 121.20 117.90 2k42 s ILE 38 Ca 0.00 0.22 -0.12 0.00 0.00 0.00 0.00 60.65 60.75 2k42 s ILE 38 Cb 0.00 -3.40 0.10 0.00 0.01 0.00 0.00 42.46 39.17 2k42 s ILE 38 CO 0.00 -0.30 1.16 -0.44 0.00 0.00 0.00 174.94 175.36 2k42 s SER 39 N 8.12 4.14 0.49 3.58 0.01 -1.26 -3.87 113.70 124.91 2k42 s SER 39 Ca 0.87 0.86 0.23 0.00 1.31 0.00 0.00 55.95 59.22 2k42 s SER 39 Cb -0.23 -1.39 1.29 0.00 0.21 0.00 0.00 66.02 65.90 2k42 s SER 39 CO 0.31 -2.15 2.04 -0.33 0.41 0.00 0.00 173.24 173.52 2k42 h GLU 40 N -1.22 0.00 -0.38 12.44 5.08 -1.96 0.76 114.58 129.30 2k42 h GLU 40 Ca -0.48 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 57.84 2k42 h GLU 40 Cb 1.33 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.56 2k42 h GLU 40 CO 0.64 0.15 0.09 0.00 -1.00 0.00 0.00 179.01 178.90 2k42 h ALA 41 N 1.85 0.51 0.00 3.43 0.00 -1.95 -1.60 119.26 121.49 2k42 h ALA 41 Ca -0.00 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.65 2k42 h ALA 41 Cb 0.35 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2k42 h ALA 41 CO 0.02 0.18 -0.35 1.96 0.00 0.00 0.00 179.25 181.07 2k42 h GLN 42 N 0.48 0.00 0.00 0.00 4.20 -1.38 -1.16 115.11 117.25 2k42 h GLN 42 Ca 0.12 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.83 2k42 h GLN 42 Cb 0.31 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.09 2k42 h GLN 42 CO 0.00 0.35 0.00 1.28 -0.67 0.00 0.00 178.83 179.79 2k42 n LEU 43 N -3.83 0.64 -1.11 1.46 4.77 0.07 -2.04 117.00 116.97 2k42 n LEU 43 Ca -0.01 0.59 0.08 0.00 -0.03 0.00 0.00 56.01 56.64 2k42 n LEU 43 Cb 0.42 -0.42 0.28 0.00 -2.33 0.00 0.00 43.42 41.37 2k42 n LEU 43 CO 0.37 -0.28 0.74 0.35 -1.33 0.00 0.00 177.39 177.24 2k42 n THR 44 N -2.14 2.22 -3.10 -5.08 -2.24 -0.51 -0.25 114.28 103.18 2k42 n THR 44 Ca 0.05 -1.65 -0.28 0.00 -2.27 0.00 0.00 64.05 59.90 2k42 n THR 44 Cb 0.35 -0.15 -0.02 0.00 -2.10 0.00 0.00 70.33 68.41 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 -1.55 6.38 -0.01 3.42 2.15 -0.77 -4.64 116.67 121.66 2k42 s ASP 45 Ca 0.43 0.77 -0.01 0.00 0.43 0.00 0.00 52.55 54.18 2k42 s ASP 45 Cb 0.33 -2.17 -0.00 0.00 -0.30 0.00 0.00 42.92 40.78 2k42 s ASP 45 CO 0.12 -0.34 0.20 0.00 -0.17 0.00 0.00 175.17 174.98 2k42 h ALA 46 N 1.07 -0.19 -0.49 3.66 0.00 -1.86 -3.15 119.26 118.29 2k42 h ALA 46 Ca -0.48 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.32 2k42 h ALA 46 Cb 1.20 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 2k42 h ALA 46 CO 0.64 -0.19 -0.13 1.05 0.00 0.00 0.00 179.25 180.62 2k42 h GLU 47 N -0.11 0.94 0.63 0.00 9.09 -1.90 -2.31 114.58 120.91 2k42 h GLU 47 Ca -0.00 -0.34 -0.02 0.00 0.05 0.00 0.00 59.36 59.04 2k42 h GLU 47 Cb 0.02 -0.06 -0.01 0.00 -1.65 0.00 0.00 28.75 27.05 2k42 h GLU 47 CO 0.00 1.00 -0.49 1.15 0.05 0.00 0.00 179.01 180.72 2k42 h THR 48 N 0.83 0.00 -0.81 -1.06 2.02 -1.84 -1.23 112.91 110.82 2k42 h THR 48 Ca 0.13 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.27 2k42 h THR 48 Cb 0.67 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 67.04 2k42 h THR 48 CO 0.05 0.00 0.37 0.28 0.37 0.00 0.00 175.52 176.59 2k42 h SER 49 N -1.08 1.07 -0.87 4.18 0.02 -1.55 0.57 113.55 115.89 2k42 h SER 49 Ca -0.08 -0.14 -0.02 0.00 -0.84 0.00 0.00 61.79 60.71 2k42 h SER 49 Cb 0.91 -0.28 -0.04 0.00 0.14 0.00 0.00 62.40 63.13 2k42 h SER 49 CO 0.01 0.92 0.48 0.50 -1.14 0.00 0.00 176.83 177.59 2k42 h LYS 50 N 1.16 1.21 0.00 3.45 3.64 -1.33 -1.15 116.57 123.55 2k42 h LYS 50 Ca 0.28 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 2k42 h LYS 50 Cb 0.14 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 31.72 2k42 h LYS 50 CO -0.03 0.89 -0.34 -0.07 -2.27 0.00 0.00 179.45 177.63 2k42 h LEU 51 N 1.22 0.00 -0.47 5.20 3.38 -0.54 0.53 115.31 124.64 2k42 h LEU 51 Ca 0.31 -0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.20 2k42 h LEU 51 Cb 0.03 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 2k42 h LEU 51 CO -0.05 0.00 0.01 0.40 0.09 0.00 0.00 178.44 178.89 2k42 h ILE 52 N 0.00 1.26 -0.67 1.22 2.04 -0.49 0.25 117.51 121.12 2k42 h ILE 52 Ca 0.00 -1.04 -0.08 0.00 1.00 0.00 0.00 64.86 64.74 2k42 h ILE 52 Cb 1.00 1.01 -0.03 0.00 -0.74 0.00 0.00 36.82 38.06 2k42 h ILE 52 CO 0.00 0.36 0.10 0.22 0.00 0.00 0.00 178.15 178.84 2k42 h TYR 53 N 0.67 1.19 -0.51 1.37 3.20 -0.94 0.43 116.97 122.39 2k42 h TYR 53 Ca 0.13 -0.17 -0.02 0.00 3.14 0.00 0.00 58.73 61.82 2k42 h TYR 53 Cb 0.49 -0.33 -0.02 0.00 1.54 0.00 0.00 36.73 38.41 2k42 h TYR 53 CO 0.04 0.99 0.23 0.22 -1.64 0.00 0.00 178.16 178.00 2k42 h ASP 54 N 1.04 0.64 -0.29 -2.11 3.58 -0.80 -1.08 116.42 117.40 2k42 h ASP 54 Ca 0.20 -0.06 -0.02 0.00 0.42 0.00 0.00 57.03 57.57 2k42 h ASP 54 Cb 0.45 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.32 2k42 h ASP 54 CO 0.01 0.56 0.09 0.15 -2.88 0.00 0.00 179.24 177.18 2k42 h PHE 55 N 0.72 0.46 -0.57 0.28 3.57 0.45 0.30 116.94 122.15 2k42 h PHE 55 Ca 0.18 -0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.63 2k42 h PHE 55 Cb 0.10 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 38.68 2k42 h PHE 55 CO 0.01 0.48 0.33 0.82 -2.23 0.00 0.00 178.31 177.72 2k42 h ILE 56 N 0.31 1.18 -0.55 1.41 2.04 -0.59 -0.63 117.51 120.68 2k42 h ILE 56 Ca 0.09 -0.42 0.00 0.00 1.00 0.00 0.00 64.86 65.54 2k42 h ILE 56 Cb 0.24 0.42 -0.03 0.00 -0.74 0.00 0.00 36.82 36.71 2k42 h ILE 56 CO -0.00 0.18 0.34 -0.33 0.00 0.00 0.00 178.15 178.34 2k42 h GLU 57 N 0.76 0.73 -0.87 2.37 4.39 -1.08 0.16 114.58 121.04 2k42 h GLU 57 Ca 0.20 -0.06 0.13 0.00 0.34 0.00 0.00 59.36 59.97 2k42 h GLU 57 Cb 0.01 -0.16 -0.07 0.00 -0.10 0.00 0.00 28.75 28.43 2k42 h GLU 57 CO -0.04 0.51 0.56 0.22 -1.16 0.00 0.00 179.01 179.11 2k42 h ASP 58 N 0.74 0.68 1.49 1.42 1.82 0.47 0.97 116.42 123.99 2k42 h ASP 58 Ca 0.20 0.03 0.00 0.00 -0.39 0.00 0.00 57.03 56.87 2k42 h ASP 58 Cb -0.04 -0.10 0.00 0.00 0.68 0.00 0.00 39.33 39.86 2k42 h ASP 58 CO -0.04 0.36 0.00 1.56 -1.61 0.00 0.00 179.24 179.52 2k42 h GLN 59 N 0.73 0.00 0.00 0.28 1.08 -0.84 -3.46 115.11 112.90 2k42 h GLN 59 Ca 0.42 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.62 2k42 h GLN 59 Cb 0.61 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.04 2k42 h GLN 59 CO -0.19 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 178.10 2k42 n GLY 60 N 0.81 1.16 0.00 3.46 0.00 0.33 -4.82 105.19 106.13 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 -0.09 0.62 0.32 -0.02 0.00 0.53 -4.75 105.19 101.80 2k42 n GLY 61 Ca 0.00 -2.26 -0.05 0.00 0.00 0.00 0.00 46.02 43.70 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 0.94 -1.04 0.99 -0.00 -1.88 -2.93 115.31 111.40 2k42 h LEU 62 Ca 0.00 -0.19 -0.07 0.00 -0.00 0.00 0.00 57.88 57.62 2k42 h LEU 62 Cb 0.00 -0.25 -0.02 0.00 -0.00 0.00 0.00 40.66 40.40 2k42 h LEU 62 CO 0.00 0.91 -0.11 -0.33 -0.00 0.00 0.00 178.44 178.91 2k42 h GLU 63 N 0.95 0.56 -0.66 1.13 4.39 -1.89 -1.45 114.58 117.61 2k42 h GLU 63 Ca 0.20 -0.16 -0.07 0.00 0.34 0.00 0.00 59.36 59.67 2k42 h GLU 63 Cb 0.34 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 28.91 2k42 h GLU 63 CO 0.00 0.66 0.13 0.00 -1.16 0.00 0.00 179.01 178.65 2k42 h ALA 64 N 1.37 0.98 -0.37 3.43 0.00 -1.81 -2.01 119.26 120.85 2k42 h ALA 64 Ca 0.09 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 2k42 h ALA 64 Cb 0.51 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2k42 h ALA 64 CO 0.03 0.65 0.05 0.28 0.00 0.00 0.00 179.25 180.26 2k42 h VAL 65 N 1.01 1.24 -0.08 0.00 2.07 -1.35 -1.13 116.25 118.01 2k42 h VAL 65 Ca 0.21 -0.87 -0.02 0.00 0.82 0.00 0.00 66.70 66.84 2k42 h VAL 65 Cb 0.40 1.09 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 2k42 h VAL 65 CO 0.01 0.29 -0.03 0.03 0.02 0.00 0.00 177.57 177.89 2k42 h ARG 66 N 0.46 0.11 0.14 1.57 3.08 -1.06 -2.88 114.38 115.80 2k42 h ARG 66 Ca 0.11 -0.01 -0.21 0.00 0.07 0.00 0.00 59.98 59.94 2k42 h ARG 66 Cb 0.38 -0.02 0.02 0.00 0.08 0.00 0.00 29.97 30.43 2k42 h ARG 66 CO 0.01 0.16 -0.91 1.96 -1.07 0.00 0.00 179.97 180.12 2k42 h GLN 67 N 0.11 0.37 -1.00 0.04 1.08 -0.92 -3.29 115.11 111.50 2k42 h GLN 67 Ca 0.03 -0.58 0.24 0.00 -1.45 0.00 0.00 58.65 56.88 2k42 h GLN 67 Cb 0.13 0.21 -0.09 0.00 -0.05 0.00 0.00 27.48 27.69 2k42 h GLN 67 CO 0.01 1.26 0.64 0.93 -0.95 0.00 0.00 178.83 180.72 2k42 h GLU 68 N -0.22 0.43 -0.97 1.46 5.08 -0.99 0.16 114.58 119.53 2k42 h GLU 68 Ca -0.15 -0.03 0.16 0.00 -1.00 0.00 0.00 59.36 58.34 2k42 h GLU 68 Cb 1.69 -0.10 -0.10 0.00 0.50 0.00 0.00 28.75 30.74 2k42 h GLU 68 CO 0.17 0.29 0.57 0.52 -1.00 0.00 0.00 179.01 179.56 2k42 h MET 69 N 0.45 0.77 -0.31 2.33 2.86 -1.61 0.47 114.93 119.89 2k42 h MET 69 Ca 0.56 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 58.15 2k42 h MET 69 Cb 1.33 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 32.81 2k42 h MET 69 CO -0.27 0.51 0.00 0.54 1.06 0.00 0.00 176.91 178.75 2k42 n ARG 70 N -4.75 2.27 -0.03 1.72 3.00 0.32 -4.67 116.66 114.52 2k42 n ARG 70 Ca 0.21 -1.92 -0.07 0.00 -0.01 0.00 0.00 57.85 56.05 2k42 n ARG 70 Cb 0.48 -1.31 -0.02 0.00 0.00 0.00 0.00 32.46 31.61 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 0.75 0.17 -0.86 5.56 0.00 0.14 -5.11 116.66 117.31 2k42 n ARG 71 Ca 0.12 0.07 0.00 0.00 -0.00 0.00 0.00 57.85 58.05 2k42 n ARG 71 Cb 0.43 -0.79 0.00 0.00 0.00 0.00 0.00 32.46 32.10 2k42 n ARG 71 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.63 178.57