#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 -2.31 -0.62 1.61 -0.00 -1.26 -5.09 115.22 107.56 2k42 n HIS 2 Ca 0.00 1.34 0.00 0.00 0.46 0.00 0.00 57.72 59.52 2k42 n HIS 2 Cb 0.00 -2.74 0.00 0.00 -0.12 0.00 0.00 29.99 27.13 2k42 n HIS 2 CO 0.00 0.00 0.00 -1.33 0.46 0.00 0.00 176.34 175.47 2k42 n MET 3 N 0.87 2.42 0.09 1.57 2.00 -1.26 -5.01 117.12 117.79 2k42 n MET 3 Ca -0.22 0.00 -0.22 0.00 0.00 0.00 0.00 57.70 57.26 2k42 n MET 3 Cb 0.34 0.00 -0.14 0.00 0.00 0.00 0.00 33.22 33.42 2k42 n MET 3 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 175.97 176.74 2k42 h SER 4 N 0.00 0.72 0.00 7.83 0.02 -2.06 -3.50 113.55 116.57 2k42 h SER 4 Ca 0.00 -0.88 0.00 0.00 -0.84 0.00 0.00 61.79 60.07 2k42 h SER 4 Cb 0.00 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.31 2k42 h SER 4 CO 0.00 1.54 0.00 0.61 -1.14 0.00 0.00 176.83 177.84 2k42 n GLY 5 N 1.52 0.26 0.18 -3.77 0.00 -1.26 -3.72 105.19 98.40 2k42 n GLY 5 Ca -0.14 -1.07 0.09 0.00 0.00 0.00 0.00 46.02 44.89 2k42 n GLY 5 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2k42 n PHE 6 N 8.20 0.00 0.00 1.61 7.35 -1.26 -5.00 117.46 128.36 2k42 n PHE 6 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 2k42 n PHE 6 Cb 0.00 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.83 2k42 n PHE 6 CO 0.00 0.00 0.00 1.17 -0.76 0.00 0.00 176.76 177.17 2k42 n LYS 7 N -0.84 0.00 -1.33 -4.13 4.81 -1.24 -3.97 118.16 111.45 2k42 n LYS 7 Ca 0.05 0.00 -0.23 0.00 -0.87 0.00 0.00 58.31 57.26 2k42 n LYS 7 Cb 0.33 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 35.32 2k42 n LYS 7 CO 0.00 0.00 0.00 -2.39 1.17 0.00 0.00 177.40 176.18 2k42 n HIS 8 N 0.00 1.34 0.10 5.64 1.44 -1.26 -4.54 115.22 117.94 2k42 n HIS 8 Ca 0.00 -1.87 -0.05 0.00 -2.01 0.00 0.00 57.72 53.79 2k42 n HIS 8 Cb 0.00 -1.35 0.03 0.00 0.12 0.00 0.00 29.99 28.80 2k42 n HIS 8 CO 0.00 0.00 0.00 -0.24 -2.81 0.00 0.00 176.34 173.29 2k42 h VAL 9 N 1.86 1.55 0.00 0.61 3.04 -1.99 -0.66 116.25 120.66 2k42 h VAL 9 Ca 0.35 -2.68 -0.00 0.00 -1.01 0.00 0.00 66.70 63.35 2k42 h VAL 9 Cb 0.86 2.45 -0.00 0.00 -2.01 0.00 0.00 31.29 32.59 2k42 h VAL 9 CO 0.76 0.77 -0.01 0.28 -1.01 0.00 0.00 177.57 178.36 2k42 h SER 10 N 0.02 0.00 -0.88 3.17 0.02 -1.95 -3.45 113.55 110.49 2k42 h SER 10 Ca -0.01 0.00 -0.38 0.00 -0.84 0.00 0.00 61.79 60.56 2k42 h SER 10 Cb 1.41 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 63.80 2k42 h SER 10 CO 0.11 0.01 -0.34 1.41 -1.14 0.00 0.00 176.83 176.87 2k42 n HIS 11 N -3.15 0.00 0.00 3.45 -0.00 -0.25 -4.38 115.22 110.89 2k42 n HIS 11 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.70 2k42 n HIS 11 Cb 0.14 -3.22 0.00 0.00 -0.00 0.00 0.00 29.99 26.91 2k42 n HIS 11 CO 0.00 0.00 0.00 1.55 -0.00 0.00 0.00 176.34 177.89 2k42 n VAL 12 N -2.41 0.00 -1.93 1.59 3.14 -1.26 -1.11 118.33 116.35 2k42 n VAL 12 Ca -0.18 0.00 -0.01 0.00 -2.96 0.00 0.00 64.34 61.19 2k42 n VAL 12 Cb 0.63 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.42 2k42 n VAL 12 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2k42 n GLY 13 N 0.00 -0.48 3.36 7.55 0.00 -1.26 -5.04 105.19 109.31 2k42 n GLY 13 Ca 0.00 -0.01 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 0.01 2.70 0.05 1.61 -0.00 -0.27 0.01 118.94 123.05 2k42 s TRP 14 Ca 0.00 -0.61 0.09 0.00 -0.00 0.00 0.00 56.10 55.58 2k42 s TRP 14 Cb 0.02 -1.75 -0.03 0.00 -0.00 0.00 0.00 33.47 31.72 2k42 s TRP 14 CO -0.01 -0.16 -0.24 -0.51 -0.00 0.00 0.00 176.95 176.03 2k42 s ASP 15 N 0.06 2.89 0.37 5.86 1.01 0.97 -4.94 116.67 122.89 2k42 s ASP 15 Ca -0.07 -0.56 0.12 0.00 0.71 0.00 0.00 52.55 52.75 2k42 s ASP 15 Cb -0.15 -0.25 0.91 0.00 1.01 0.00 0.00 42.92 44.43 2k42 s ASP 15 CO 0.05 0.22 1.83 1.55 0.21 0.00 0.00 175.17 179.03 2k42 h PRO 16 N 4.81 0.58 0.01 8.23 0.13 -1.98 0.73 132.00 144.51 2k42 h PRO 16 Ca -0.45 -0.03 -0.41 0.00 -0.87 0.00 0.00 66.00 64.24 2k42 h PRO 16 Cb 1.15 -0.13 -0.06 0.00 0.13 0.00 0.00 31.00 32.09 2k42 h PRO 16 CO 0.44 0.38 -2.38 0.94 -0.23 0.00 0.00 178.00 177.15 2k42 n GLN 17 N -4.60 0.63 0.00 0.86 -0.06 -1.26 -4.48 117.38 108.47 2k42 n GLN 17 Ca 0.20 0.23 0.13 0.00 -2.00 0.00 0.00 57.00 55.56 2k42 n GLN 17 Cb 0.60 -1.54 0.38 0.00 -4.06 0.00 0.00 30.24 25.62 2k42 n GLN 17 CO 0.00 0.00 0.00 0.27 -0.20 0.00 0.00 177.06 177.13 2k42 n ASN 18 N -3.72 1.88 0.00 1.69 6.94 -1.19 -3.67 115.26 117.19 2k42 n ASN 18 Ca -0.47 -1.58 0.00 0.00 -0.02 0.00 0.00 54.58 52.51 2k42 n ASN 18 Cb 0.94 0.03 0.00 0.00 -2.36 0.00 0.00 39.78 38.39 2k42 n ASN 18 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2k42 n GLY 19 N 1.24 0.96 3.75 4.83 0.00 0.24 -4.08 105.19 112.14 2k42 n GLY 19 Ca 0.17 -0.74 -0.40 0.00 0.00 0.00 0.00 46.02 45.05 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 3.76 -0.72 1.61 0.08 0.12 -0.02 117.98 122.81 2k42 s PHE 20 Ca 0.00 1.47 -0.26 0.00 0.12 0.00 0.00 56.93 58.26 2k42 s PHE 20 Cb 0.00 -2.79 -0.01 0.00 -0.57 0.00 0.00 43.02 39.65 2k42 s PHE 20 CO 0.00 0.32 1.69 0.34 -0.10 0.00 0.00 175.22 177.47 2k42 s ASP 21 N -0.22 5.58 0.59 1.36 -1.08 0.10 -4.49 116.67 118.51 2k42 s ASP 21 Ca 0.37 -0.17 0.29 0.00 -0.52 0.00 0.00 52.55 52.53 2k42 s ASP 21 Cb -0.21 -2.55 1.80 0.00 -1.46 0.00 0.00 42.92 40.51 2k42 s ASP 21 CO 0.23 -2.23 2.25 1.62 0.52 0.00 0.00 175.17 177.56 2k42 h VAL 22 N 6.72 0.54 -0.37 1.11 3.04 -1.88 -0.94 116.25 124.46 2k42 h VAL 22 Ca -0.17 -0.02 -0.13 0.00 -1.01 0.00 0.00 66.70 65.36 2k42 h VAL 22 Cb 1.10 1.01 -0.01 0.00 -2.01 0.00 0.00 31.29 31.38 2k42 h VAL 22 CO 1.25 0.00 -0.29 -1.13 -1.01 0.00 0.00 177.57 176.39 2k42 h ASN 23 N 0.00 0.89 -0.57 3.17 -1.24 -1.99 -3.14 115.58 112.70 2k42 h ASN 23 Ca -0.00 -0.45 0.00 0.00 0.71 0.00 0.00 56.30 56.56 2k42 h ASN 23 Cb 0.01 -0.25 0.00 0.00 0.73 0.00 0.00 38.32 38.81 2k42 h ASN 23 CO 0.00 1.15 0.00 0.59 -1.29 0.00 0.00 177.43 177.88 2k42 n ASN 24 N -4.18 5.22 -4.72 1.15 3.02 -0.44 -4.96 115.26 110.36 2k42 n ASN 24 Ca -0.02 -2.75 -0.42 0.00 -0.03 0.00 0.00 54.58 51.36 2k42 n ASN 24 Cb 0.49 -0.65 -0.03 0.00 -0.61 0.00 0.00 39.78 38.98 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 -2.36 4.37 0.26 3.41 1.43 -0.74 -4.94 118.68 120.12 2k42 s LEU 25 Ca 0.51 2.53 -0.30 0.00 -1.03 0.00 0.00 54.13 55.84 2k42 s LEU 25 Cb 0.37 -3.59 -0.10 0.00 0.03 0.00 0.00 46.19 42.90 2k42 s LEU 25 CO 0.17 -0.77 1.34 -0.62 0.23 0.00 0.00 176.35 176.70 2k42 s ASP 26 N 1.13 6.80 0.52 2.29 -1.08 -1.26 -4.83 116.67 120.25 2k42 s ASP 26 Ca 0.68 2.57 0.33 0.00 -0.52 0.00 0.00 52.55 55.61 2k42 s ASP 26 Cb -0.42 -2.63 1.48 0.00 -1.46 0.00 0.00 42.92 39.89 2k42 s ASP 26 CO 0.31 -0.57 1.82 -0.65 0.52 0.00 0.00 175.17 176.60 2k42 h PRO 27 N 4.58 0.05 0.07 4.34 0.11 -1.98 0.26 132.00 139.44 2k42 h PRO 27 Ca -0.46 -0.00 -0.25 0.00 0.11 0.00 0.00 66.00 65.39 2k42 h PRO 27 Cb 1.22 -0.01 0.02 0.00 0.11 0.00 0.00 31.00 32.34 2k42 h PRO 27 CO 0.73 0.04 -1.03 -0.44 -0.21 0.00 0.00 178.00 177.09 2k42 h ASP 28 N 0.05 0.78 -0.32 -2.05 5.19 -1.99 -2.08 116.42 116.00 2k42 h ASP 28 Ca 0.53 -0.80 -0.03 0.00 -0.62 0.00 0.00 57.03 56.11 2k42 h ASP 28 Cb 2.03 -0.24 -0.01 0.00 0.18 0.00 0.00 39.33 41.28 2k42 h ASP 28 CO -0.05 1.50 0.09 -0.07 -3.12 0.00 0.00 179.24 177.59 2k42 h LEU 29 N 0.17 0.48 -0.82 1.55 3.38 -1.37 -1.21 115.31 117.50 2k42 h LEU 29 Ca -0.15 -0.22 0.10 0.00 0.09 0.00 0.00 57.88 57.71 2k42 h LEU 29 Cb 1.72 -0.13 -0.08 0.00 0.09 0.00 0.00 40.66 42.26 2k42 h LEU 29 CO 0.20 0.58 0.46 -0.09 0.09 0.00 0.00 178.44 179.67 2k42 h ARG 30 N 0.37 0.72 0.33 1.13 9.65 -0.63 -0.31 114.38 125.63 2k42 h ARG 30 Ca 0.10 -0.04 -0.02 0.00 -1.10 0.00 0.00 59.98 58.92 2k42 h ARG 30 Cb 0.28 -0.16 0.00 0.00 -1.39 0.00 0.00 29.97 28.70 2k42 h ARG 30 CO -0.00 0.48 -0.16 1.03 2.80 0.00 0.00 179.97 184.12 2k42 h SER 31 N 0.74 -0.38 0.53 -3.80 0.87 -1.12 -3.12 113.55 107.28 2k42 h SER 31 Ca 0.41 -0.05 -0.02 0.00 -1.23 0.00 0.00 61.79 60.90 2k42 h SER 31 Cb 0.42 0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.47 2k42 h SER 31 CO -0.27 -0.19 -0.38 0.25 -0.53 0.00 0.00 176.83 175.70 2k42 h LEU 32 N -0.55 -0.99 -0.83 2.23 5.85 -0.48 -2.19 115.31 118.34 2k42 h LEU 32 Ca -0.05 0.07 0.04 0.00 0.84 0.00 0.00 57.88 58.78 2k42 h LEU 32 Cb 0.41 0.31 -0.05 0.00 0.37 0.00 0.00 40.66 41.69 2k42 h LEU 32 CO 0.08 -0.57 0.53 -0.26 -0.34 0.00 0.00 178.44 177.87 2k42 h PHE 33 N -0.89 0.99 0.00 1.25 0.04 -1.18 0.18 116.94 117.34 2k42 h PHE 33 Ca -0.06 0.03 -0.08 0.00 2.80 0.00 0.00 57.97 60.66 2k42 h PHE 33 Cb 0.75 -0.33 -0.01 0.00 2.20 0.00 0.00 35.95 38.56 2k42 h PHE 33 CO -0.14 0.56 -0.38 0.77 -0.60 0.00 0.00 178.31 178.52 2k42 h SER 34 N 1.02 0.00 0.68 2.17 0.02 -1.49 0.59 113.55 116.55 2k42 h SER 34 Ca 0.34 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 61.19 2k42 h SER 34 Cb 0.03 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.56 2k42 h SER 34 CO -0.12 0.38 -0.46 0.03 -1.14 0.00 0.00 176.83 175.52 2k42 h ARG 35 N 0.00 0.00 -0.06 3.45 3.08 -0.08 -3.05 114.38 117.72 2k42 h ARG 35 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2k42 h ARG 35 Cb 0.69 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.74 2k42 h ARG 35 CO 0.05 0.46 0.00 0.00 -1.07 0.00 0.00 179.97 179.41 2k42 n ALA 36 N -2.36 2.57 0.00 0.04 0.00 0.03 -4.89 120.51 115.90 2k42 n ALA 36 Ca -0.01 -0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.00 2k42 n ALA 36 Cb 0.53 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.79 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 1.13 3.31 3.58 0.00 0.00 -0.95 -5.00 105.19 107.26 2k42 n GLY 37 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.40 3.13 0.35 -0.61 1.01 0.09 -4.92 121.20 117.85 2k42 s ILE 38 Ca 0.00 0.11 0.01 0.00 0.00 0.00 0.00 60.65 60.77 2k42 s ILE 38 Cb 0.00 -3.23 0.07 0.00 0.01 0.00 0.00 42.46 39.31 2k42 s ILE 38 CO 0.00 -0.18 0.48 -1.20 0.00 0.00 0.00 174.94 174.04 2k42 n SER 39 N 13.01 0.79 -0.13 3.58 7.64 -1.26 -3.20 113.62 134.05 2k42 n SER 39 Ca 0.30 -1.63 -0.05 0.00 1.01 0.00 0.00 58.87 58.50 2k42 n SER 39 Cb 0.49 -0.30 0.02 0.00 -1.01 0.00 0.00 64.21 63.42 2k42 n SER 39 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 2k42 h GLU 40 N 0.00 -0.03 -0.19 1.43 4.81 -1.99 -0.96 114.58 117.65 2k42 h GLU 40 Ca -0.16 0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.11 2k42 h GLU 40 Cb 0.62 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.97 2k42 h GLU 40 CO 0.18 -0.02 -0.05 0.00 -0.73 0.00 0.00 179.01 178.40 2k42 h ALA 41 N 1.36 0.13 -0.36 2.92 0.00 -1.96 -2.33 119.26 119.03 2k42 h ALA 41 Ca 0.20 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 2k42 h ALA 41 Cb 0.34 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 2k42 h ALA 41 CO -0.45 -0.48 0.16 1.96 0.00 0.00 0.00 179.25 180.45 2k42 h GLN 42 N -0.00 0.50 0.00 0.00 4.20 -1.71 -0.08 115.11 118.03 2k42 h GLN 42 Ca 0.09 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.75 2k42 h GLN 42 Cb 0.14 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 27.82 2k42 h GLN 42 CO -0.20 0.40 0.00 1.28 -0.67 0.00 0.00 178.83 179.64 2k42 n LEU 43 N -4.41 0.59 -0.51 1.46 4.77 -0.44 -2.12 117.00 116.34 2k42 n LEU 43 Ca 0.02 0.60 0.09 0.00 -0.03 0.00 0.00 56.01 56.69 2k42 n LEU 43 Cb 0.13 -0.48 0.20 0.00 -2.33 0.00 0.00 43.42 40.94 2k42 n LEU 43 CO 0.36 -0.36 0.64 0.35 -1.33 0.00 0.00 177.39 177.06 2k42 n THR 44 N -2.10 2.02 -4.06 -5.08 -2.24 -0.15 0.16 114.28 102.84 2k42 n THR 44 Ca 0.04 -1.98 -0.34 0.00 -2.27 0.00 0.00 64.05 59.50 2k42 n THR 44 Cb 0.30 -0.19 -0.07 0.00 -2.10 0.00 0.00 70.33 68.27 2k42 n THR 44 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2k42 s ASP 45 N -2.26 5.89 0.00 3.42 1.01 -0.57 -4.56 116.67 119.61 2k42 s ASP 45 Ca 0.36 0.25 -0.03 0.00 0.71 0.00 0.00 52.55 53.84 2k42 s ASP 45 Cb 0.29 -1.77 -0.02 0.00 1.01 0.00 0.00 42.92 42.44 2k42 s ASP 45 CO 0.06 0.31 0.96 0.00 0.21 0.00 0.00 175.17 176.72 2k42 h ALA 46 N 4.38 -0.94 -0.41 5.23 0.00 -1.86 -2.37 119.26 123.28 2k42 h ALA 46 Ca -0.51 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.38 2k42 h ALA 46 Cb 1.19 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 2k42 h ALA 46 CO 0.62 -0.93 0.25 1.05 0.00 0.00 0.00 179.25 180.23 2k42 h GLU 47 N -0.12 0.56 0.20 0.00 9.09 -1.91 -1.61 114.58 120.80 2k42 h GLU 47 Ca -0.01 -0.05 0.01 0.00 0.05 0.00 0.00 59.36 59.35 2k42 h GLU 47 Cb 0.09 -0.12 -0.04 0.00 -1.65 0.00 0.00 28.75 27.03 2k42 h GLU 47 CO 0.02 0.42 -0.53 1.15 0.05 0.00 0.00 179.01 180.12 2k42 h THR 48 N 0.54 0.01 -0.49 -1.06 2.02 -1.84 -2.48 112.91 109.61 2k42 h THR 48 Ca 0.15 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.29 2k42 h THR 48 Cb 0.00 0.01 -0.02 0.00 -1.74 0.00 0.00 68.15 66.40 2k42 h THR 48 CO -0.03 0.00 0.16 0.28 0.37 0.00 0.00 175.52 176.30 2k42 h SER 49 N -0.81 0.66 -0.94 4.18 0.02 -1.25 -1.80 113.55 113.61 2k42 h SER 49 Ca -0.02 -0.09 -0.01 0.00 -0.84 0.00 0.00 61.79 60.83 2k42 h SER 49 Cb 0.79 -0.17 -0.05 0.00 0.14 0.00 0.00 62.40 63.11 2k42 h SER 49 CO -0.24 0.63 0.56 0.50 -1.14 0.00 0.00 176.83 177.13 2k42 h LYS 50 N 0.71 1.28 -0.08 3.45 3.64 -1.09 -0.22 116.57 124.26 2k42 h LYS 50 Ca 0.17 -0.12 -0.20 0.00 -1.27 0.00 0.00 60.65 59.22 2k42 h LYS 50 Cb 0.20 -0.26 0.00 0.00 -0.41 0.00 0.00 32.23 31.76 2k42 h LYS 50 CO -0.01 0.90 -0.79 -0.07 -2.27 0.00 0.00 179.45 177.21 2k42 h LEU 51 N 1.30 0.62 -0.54 5.20 3.38 -0.95 -1.23 115.31 123.09 2k42 h LEU 51 Ca 0.34 -0.43 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 2k42 h LEU 51 Cb -0.04 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 2k42 h LEU 51 CO -0.06 1.19 0.31 0.40 0.09 0.00 0.00 178.44 180.38 2k42 h ILE 52 N 0.34 1.17 -0.58 1.22 2.04 -0.83 0.57 117.51 121.43 2k42 h ILE 52 Ca -0.05 -0.40 -0.09 0.00 1.00 0.00 0.00 64.86 65.32 2k42 h ILE 52 Cb 1.39 0.46 -0.02 0.00 -0.74 0.00 0.00 36.82 37.91 2k42 h ILE 52 CO 0.14 0.18 0.03 0.22 0.00 0.00 0.00 178.15 178.72 2k42 h TYR 53 N 0.72 1.09 -0.93 1.37 3.20 -1.01 0.55 116.97 121.97 2k42 h TYR 53 Ca 0.19 -0.18 0.01 0.00 3.14 0.00 0.00 58.73 61.89 2k42 h TYR 53 Cb 0.01 -0.29 -0.05 0.00 1.54 0.00 0.00 36.73 37.95 2k42 h TYR 53 CO -0.02 0.97 0.61 0.22 -1.64 0.00 0.00 178.16 178.30 2k42 h ASP 54 N 0.90 1.08 -0.05 -2.11 3.58 -0.88 -1.51 116.42 117.43 2k42 h ASP 54 Ca 0.17 -0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.58 2k42 h ASP 54 Cb 0.51 -0.27 -0.00 0.00 1.72 0.00 0.00 39.33 41.29 2k42 h ASP 54 CO 0.02 0.79 0.02 0.15 -2.88 0.00 0.00 179.24 177.35 2k42 h PHE 55 N 1.27 0.05 -0.53 0.28 3.57 0.84 0.41 116.94 122.82 2k42 h PHE 55 Ca 0.34 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.88 2k42 h PHE 55 Cb -0.13 -0.01 -0.04 0.00 2.79 0.00 0.00 35.95 38.56 2k42 h PHE 55 CO -0.00 0.03 0.29 0.82 -2.23 0.00 0.00 178.31 177.21 2k42 h ILE 56 N 0.05 1.00 -0.64 1.41 2.04 -0.64 -0.34 117.51 120.39 2k42 h ILE 56 Ca 0.02 -0.19 -0.08 0.00 1.00 0.00 0.00 64.86 65.60 2k42 h ILE 56 Cb 0.00 0.38 -0.02 0.00 -0.74 0.00 0.00 36.82 36.44 2k42 h ILE 56 CO -0.01 0.10 0.08 -0.33 0.00 0.00 0.00 178.15 178.00 2k42 h GLU 57 N 0.57 1.08 -0.13 2.37 4.39 -1.06 -1.30 114.58 120.49 2k42 h GLU 57 Ca 0.22 -0.30 -0.04 0.00 0.34 0.00 0.00 59.36 59.59 2k42 h GLU 57 Cb 0.09 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.61 2k42 h GLU 57 CO -0.13 1.00 -0.08 0.22 -1.16 0.00 0.00 179.01 178.86 2k42 h ASP 58 N 0.99 0.18 0.00 1.42 3.58 0.68 -1.24 116.42 122.04 2k42 h ASP 58 Ca 0.19 -0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.61 2k42 h ASP 58 Cb 0.46 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.47 2k42 h ASP 58 CO 0.02 0.30 0.00 0.00 -2.88 0.00 0.00 179.24 176.68 2k42 n GLN 59 N -4.33 0.93 0.00 0.28 1.13 -0.22 -4.81 117.38 110.35 2k42 n GLN 59 Ca -0.01 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.05 2k42 n GLN 59 Cb 0.22 -1.49 0.00 0.00 0.11 0.00 0.00 30.24 29.08 2k42 n GLN 59 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2k42 n GLY 60 N 0.85 1.85 0.00 1.08 0.00 -0.48 -4.80 105.19 103.69 2k42 n GLY 60 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 -0.06 1.21 0.27 -0.02 0.00 -0.50 -4.78 105.19 101.31 2k42 n GLY 61 Ca 0.00 -2.05 0.07 0.00 0.00 0.00 0.00 46.02 44.04 2k42 n GLY 61 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2k42 h LEU 62 N 0.00 0.13 -0.24 0.99 5.85 -1.93 -2.19 115.31 117.91 2k42 h LEU 62 Ca 0.00 -0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.58 2k42 h LEU 62 Cb 0.00 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.00 2k42 h LEU 62 CO 0.00 0.10 -0.38 -0.08 -0.34 0.00 0.00 178.44 177.73 2k42 h GLU 63 N 0.15 0.69 -0.86 1.25 4.81 -1.91 -3.21 114.58 115.50 2k42 h GLU 63 Ca 0.04 -0.41 0.02 0.00 -0.13 0.00 0.00 59.36 58.87 2k42 h GLU 63 Cb -0.01 0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.37 2k42 h GLU 63 CO -0.01 1.03 0.56 0.00 -0.73 0.00 0.00 179.01 179.87 2k42 h ALA 64 N 0.65 1.10 -0.72 2.92 0.00 -1.70 -1.83 119.26 119.68 2k42 h ALA 64 Ca 0.02 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 2k42 h ALA 64 Cb 0.97 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 2k42 h ALA 64 CO 0.09 0.46 0.24 0.28 0.00 0.00 0.00 179.25 180.31 2k42 h VAL 65 N 1.13 1.25 0.00 0.00 2.07 -1.60 -1.17 116.25 117.93 2k42 h VAL 65 Ca 0.32 -0.86 -0.06 0.00 0.82 0.00 0.00 66.70 66.92 2k42 h VAL 65 Cb -0.09 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 30.12 2k42 h VAL 65 CO -0.08 0.34 -0.31 0.03 0.02 0.00 0.00 177.57 177.57 2k42 h ARG 66 N 1.06 0.00 -0.05 1.57 3.08 -1.36 -2.61 114.38 116.06 2k42 h ARG 66 Ca 0.23 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 60.07 2k42 h ARG 66 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.33 2k42 h ARG 66 CO -0.01 0.31 -0.87 1.96 -1.07 0.00 0.00 179.97 180.29 2k42 h GLN 67 N 0.00 0.50 0.00 0.04 1.08 -0.53 -3.21 115.11 112.99 2k42 h GLN 67 Ca -0.00 -0.48 -0.01 0.00 -1.45 0.00 0.00 58.65 56.71 2k42 h GLN 67 Cb 0.55 0.12 -0.00 0.00 -0.05 0.00 0.00 27.48 28.10 2k42 h GLN 67 CO 0.04 1.11 -0.03 0.93 -0.95 0.00 0.00 178.83 179.93 2k42 h GLU 68 N 0.31 0.00 -0.80 1.46 5.08 -0.86 -1.16 114.58 118.62 2k42 h GLU 68 Ca -0.07 0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.39 2k42 h GLU 68 Cb 1.48 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.68 2k42 h GLU 68 CO 0.16 0.03 0.52 0.52 -1.00 0.00 0.00 179.01 179.24 2k42 h MET 69 N 0.00 0.72 -0.24 2.33 2.86 -1.56 -1.78 114.93 117.26 2k42 h MET 69 Ca -0.00 -0.04 -0.19 0.00 -2.06 0.00 0.00 59.70 57.40 2k42 h MET 69 Cb 0.13 -0.16 -0.20 0.00 0.06 0.00 0.00 31.60 31.43 2k42 h MET 69 CO 0.00 0.48 -0.70 2.89 1.06 0.00 0.00 176.91 180.65 2k42 n ARG 70 N -4.51 1.98 0.01 1.72 0.00 -0.52 -4.81 116.66 110.54 2k42 n ARG 70 Ca 0.13 -3.41 -0.00 0.00 -0.00 0.00 0.00 57.85 54.57 2k42 n ARG 70 Cb 0.32 -1.61 -0.00 0.00 -0.00 0.00 0.00 32.46 31.17 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 -0.77 0.01 -0.51 2.89 0.63 -0.69 -5.07 116.66 113.15 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 0.83 -0.16 0.00 0.00 0.45 0.00 0.00 32.46 33.58 2k42 n ARG 71 CO 0.00 0.00 0.00 0.94 -2.51 0.00 0.00 177.63 176.06