#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 0.34 -3.95 1.61 -0.00 -1.26 -5.00 115.22 106.97 2k42 n HIS 2 Ca 0.00 0.15 -0.35 0.00 -0.00 0.00 0.00 57.72 57.52 2k42 n HIS 2 Cb 0.00 -0.78 -0.06 0.00 -0.00 0.00 0.00 29.99 29.15 2k42 n HIS 2 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 176.34 174.70 2k42 s MET 3 N -2.58 3.37 -0.42 -0.41 1.00 -1.26 -5.05 119.30 113.94 2k42 s MET 3 Ca -0.29 -0.28 0.04 0.00 0.00 0.00 0.00 55.69 55.16 2k42 s MET 3 Cb 0.07 -3.08 0.17 0.00 0.00 0.00 0.00 34.83 31.98 2k42 s MET 3 CO 0.43 0.71 0.33 0.45 0.00 0.00 0.00 175.02 176.94 2k42 s SER 4 N -1.53 1.88 0.26 3.03 0.15 -1.26 -5.13 113.70 111.10 2k42 s SER 4 Ca 0.21 -3.01 0.03 0.00 0.70 0.00 0.00 55.95 53.89 2k42 s SER 4 Cb -0.12 -0.52 0.03 0.00 -1.71 0.00 0.00 66.02 63.70 2k42 s SER 4 CO 0.12 -0.18 0.27 0.61 1.20 0.00 0.00 173.24 175.25 2k42 n GLY 5 N 2.94 2.48 3.30 9.45 0.00 -1.26 -5.07 105.19 117.03 2k42 n GLY 5 Ca 0.27 -2.20 -0.46 0.00 0.00 0.00 0.00 46.02 43.63 2k42 n GLY 5 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2k42 s PHE 6 N -0.97 3.40 -1.34 1.61 0.08 -1.26 -4.96 117.98 114.55 2k42 s PHE 6 Ca 0.20 -1.56 -0.07 0.00 0.12 0.00 0.00 56.93 55.63 2k42 s PHE 6 Cb -0.02 -3.76 0.11 0.00 -0.57 0.00 0.00 43.02 38.78 2k42 s PHE 6 CO 0.13 -1.01 2.36 0.36 -0.10 0.00 0.00 175.22 176.96 2k42 n LYS 7 N 4.85 4.35 -4.02 0.44 2.85 -1.26 -4.74 118.16 120.63 2k42 n LYS 7 Ca -0.06 -3.35 -0.45 0.00 -1.05 0.00 0.00 58.31 53.40 2k42 n LYS 7 Cb 0.42 -2.70 0.02 0.00 -0.65 0.00 0.00 35.03 32.12 2k42 n LYS 7 CO 0.00 0.00 0.00 -2.39 -0.05 0.00 0.00 177.40 174.96 2k42 n HIS 8 N 2.26 -1.47 0.90 5.58 1.44 -1.26 -4.82 115.22 117.85 2k42 n HIS 8 Ca 0.60 0.13 0.03 0.00 -2.01 0.00 0.00 57.72 56.47 2k42 n HIS 8 Cb 0.26 -2.89 0.11 0.00 0.12 0.00 0.00 29.99 27.60 2k42 n HIS 8 CO 0.00 0.00 0.00 1.33 -2.81 0.00 0.00 176.34 174.86 2k42 n VAL 9 N -4.93 0.54 0.00 0.61 0.24 -1.26 -4.86 118.33 108.67 2k42 n VAL 9 Ca -0.11 -0.35 0.00 0.00 -2.04 0.00 0.00 64.34 61.84 2k42 n VAL 9 Cb 0.57 -0.12 0.00 0.00 -1.47 0.00 0.00 33.84 32.82 2k42 n VAL 9 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 2k42 n SER 10 N 0.17 0.00 -2.83 -1.34 3.41 -1.26 -4.60 113.62 107.17 2k42 n SER 10 Ca 0.08 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.39 2k42 n SER 10 Cb 0.35 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.23 2k42 n SER 10 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 2k42 n HIS 11 N 0.00 1.62 -0.76 7.33 -0.00 -1.26 -4.81 115.22 117.33 2k42 n HIS 11 Ca 0.00 -2.39 -0.24 0.00 -0.00 0.00 0.00 57.72 55.09 2k42 n HIS 11 Cb 0.00 -1.93 -0.02 0.00 -0.00 0.00 0.00 29.99 28.04 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 2.47 2.21 -1.04 3.57 0.31 -1.26 -4.20 118.33 120.39 2k42 n VAL 12 Ca 0.60 -1.40 -0.01 0.00 -0.01 0.00 0.00 64.34 63.53 2k42 n VAL 12 Cb 0.49 -2.13 -0.01 0.00 -0.91 0.00 0.00 33.84 31.28 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 3.89 0.22 3.69 2.92 0.00 -1.26 -4.88 105.19 109.78 2k42 n GLY 13 Ca 0.43 -0.02 -0.35 0.00 0.00 0.00 0.00 46.02 46.08 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 -1.31 3.32 -0.10 1.61 -0.00 -1.26 -0.49 118.94 120.71 2k42 s TRP 14 Ca 0.00 0.20 0.01 0.00 -0.00 0.00 0.00 56.10 56.30 2k42 s TRP 14 Cb 0.00 -2.04 -0.02 0.00 -0.00 0.00 0.00 33.47 31.41 2k42 s TRP 14 CO 0.00 0.30 -0.11 0.34 -0.00 0.00 0.00 176.95 177.48 2k42 s ASP 15 N 0.02 4.29 0.16 5.86 2.15 0.95 -4.85 116.67 125.24 2k42 s ASP 15 Ca 0.07 -0.19 -0.28 0.00 0.43 0.00 0.00 52.55 52.58 2k42 s ASP 15 Cb -0.12 -1.31 -0.01 0.00 -0.30 0.00 0.00 42.92 41.18 2k42 s ASP 15 CO 0.01 0.27 1.56 -0.65 -0.17 0.00 0.00 175.17 176.18 2k42 h PRO 16 N 5.96 -0.27 0.00 4.34 0.11 -1.98 0.48 132.00 140.64 2k42 h PRO 16 Ca -0.38 0.02 -0.12 0.00 0.11 0.00 0.00 66.00 65.62 2k42 h PRO 16 Cb 1.18 0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.33 2k42 h PRO 16 CO 0.54 -0.18 -1.50 0.94 -0.21 0.00 0.00 178.00 177.60 2k42 n GLN 17 N -5.39 0.63 -0.01 1.05 -0.06 -1.26 -4.33 117.38 108.00 2k42 n GLN 17 Ca -0.00 0.12 -0.11 0.00 -2.00 0.00 0.00 57.00 55.01 2k42 n GLN 17 Cb 0.34 -1.74 -0.14 0.00 -4.06 0.00 0.00 30.24 24.64 2k42 n GLN 17 CO 0.00 0.00 0.00 -0.97 -0.20 0.00 0.00 177.06 175.89 2k42 h ASN 18 N 0.00 0.08 -2.02 1.69 -1.24 -1.83 -3.40 115.58 108.87 2k42 h ASN 18 Ca -0.14 -0.18 0.00 0.00 0.71 0.00 0.00 56.30 56.69 2k42 h ASN 18 Cb 1.43 -0.03 0.00 0.00 0.73 0.00 0.00 38.32 40.45 2k42 h ASN 18 CO 0.03 1.16 0.00 0.61 -1.29 0.00 0.00 177.43 177.94 2k42 n GLY 19 N 1.63 -1.76 3.73 1.57 0.00 0.16 -4.33 105.19 106.19 2k42 n GLY 19 Ca -0.19 -2.04 -0.41 0.00 0.00 0.00 0.00 46.02 43.38 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 3.57 -0.36 1.61 0.08 0.13 -0.04 117.98 122.98 2k42 s PHE 20 Ca 0.00 1.55 -0.29 0.00 0.12 0.00 0.00 56.93 58.31 2k42 s PHE 20 Cb 0.00 -3.29 0.01 0.00 -0.57 0.00 0.00 43.02 39.18 2k42 s PHE 20 CO 0.00 -0.68 1.19 0.34 -0.10 0.00 0.00 175.22 175.98 2k42 s ASP 21 N 0.20 6.72 0.00 1.36 2.15 0.35 -4.35 116.67 123.11 2k42 s ASP 21 Ca 0.51 0.95 0.14 0.00 0.43 0.00 0.00 52.55 54.58 2k42 s ASP 21 Cb -0.29 -2.54 0.59 0.00 -0.30 0.00 0.00 42.92 40.38 2k42 s ASP 21 CO 0.33 -1.08 1.44 1.33 -0.17 0.00 0.00 175.17 177.01 2k42 n VAL 22 N 6.32 1.03 -0.01 1.11 0.24 -1.26 -1.75 118.33 124.00 2k42 n VAL 22 Ca 0.13 0.26 -0.19 0.00 -2.04 0.00 0.00 64.34 62.50 2k42 n VAL 22 Cb 0.47 -1.02 -0.14 0.00 -1.47 0.00 0.00 33.84 31.69 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 0.25 -1.17 -1.34 -1.24 -1.97 -3.36 115.58 106.75 2k42 h ASN 23 Ca 0.00 -0.89 -0.68 0.00 0.71 0.00 0.00 56.30 55.44 2k42 h ASN 23 Cb 0.23 -0.08 -0.30 0.00 0.73 0.00 0.00 38.32 38.89 2k42 h ASN 23 CO 0.00 1.33 0.69 0.59 -1.29 0.00 0.00 177.43 178.75 2k42 n ASN 24 N -4.27 7.31 -4.69 1.15 5.03 -0.93 -4.97 115.26 113.89 2k42 n ASN 24 Ca -0.17 -3.79 -0.42 0.00 0.87 0.00 0.00 54.58 51.06 2k42 n ASN 24 Cb 0.72 -0.91 -0.03 0.00 -1.02 0.00 0.00 39.78 38.54 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 -3.84 4.27 0.21 3.41 1.43 -0.72 -4.65 118.68 118.79 2k42 s LEU 25 Ca 0.61 1.78 -0.32 0.00 -1.03 0.00 0.00 54.13 55.16 2k42 s LEU 25 Cb 0.48 -3.56 -0.13 0.00 0.03 0.00 0.00 46.19 43.01 2k42 s LEU 25 CO -0.08 -0.57 1.51 -0.67 0.23 0.00 0.00 176.35 176.76 2k42 n ASP 26 N 5.21 3.05 -0.30 2.29 -0.08 -1.26 -4.75 116.55 120.71 2k42 n ASP 26 Ca 0.11 1.11 0.25 0.00 -1.51 0.00 0.00 54.79 54.75 2k42 n ASP 26 Cb 0.46 -1.45 0.58 0.00 2.34 0.00 0.00 41.12 43.05 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 5.09 0.27 0.17 -0.67 0.11 -1.99 0.37 132.00 135.35 2k42 h PRO 27 Ca -0.45 -0.02 -0.35 0.00 0.11 0.00 0.00 66.00 65.29 2k42 h PRO 27 Cb 1.26 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2k42 h PRO 27 CO 0.82 0.18 -1.79 -0.44 -0.21 0.00 0.00 178.00 176.56 2k42 h ASP 28 N 0.28 0.56 -0.36 -2.05 3.32 -1.99 -2.88 116.42 113.30 2k42 h ASP 28 Ca 0.55 -0.91 0.07 0.00 0.02 0.00 0.00 57.03 56.76 2k42 h ASP 28 Cb 1.62 -0.18 -0.06 0.00 0.22 0.00 0.00 39.33 40.93 2k42 h ASP 28 CO -0.19 1.78 -0.04 -0.07 -1.72 0.00 0.00 179.24 179.00 2k42 h LEU 29 N 0.10 -0.22 -0.75 1.55 4.07 -1.65 -0.22 115.31 118.19 2k42 h LEU 29 Ca -0.35 0.09 0.12 0.00 0.08 0.00 0.00 57.88 57.81 2k42 h LEU 29 Cb 2.08 0.18 -0.08 0.00 1.08 0.00 0.00 40.66 43.92 2k42 h LEU 29 CO 0.16 -0.07 0.36 -0.09 -1.08 0.00 0.00 178.44 177.72 2k42 h ARG 30 N 0.06 0.55 -0.01 1.13 1.12 -0.38 0.14 114.38 116.99 2k42 h ARG 30 Ca 0.17 -0.03 -0.00 0.00 -1.11 0.00 0.00 59.98 59.01 2k42 h ARG 30 Cb 0.25 -0.12 -0.00 0.00 -0.01 0.00 0.00 29.97 30.09 2k42 h ARG 30 CO -0.32 0.36 0.00 1.03 -3.11 0.00 0.00 179.97 177.94 2k42 h SER 31 N 0.57 0.01 0.13 -3.80 0.87 -1.18 -2.85 113.55 107.29 2k42 h SER 31 Ca 0.39 -0.21 -0.01 0.00 -1.23 0.00 0.00 61.79 60.73 2k42 h SER 31 Cb 0.49 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.45 2k42 h SER 31 CO -0.32 0.22 -0.06 0.25 -0.53 0.00 0.00 176.83 176.39 2k42 h LEU 32 N -0.19 -0.14 -1.83 2.23 5.85 -0.30 -2.84 115.31 118.08 2k42 h LEU 32 Ca 0.00 -0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.55 2k42 h LEU 32 Cb 0.21 0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.28 2k42 h LEU 32 CO -0.00 0.08 -0.01 -0.26 -0.34 0.00 0.00 178.44 177.91 2k42 h PHE 33 N -0.36 0.09 -0.63 1.25 0.04 -0.82 0.22 116.94 116.72 2k42 h PHE 33 Ca -0.02 -0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.72 2k42 h PHE 33 Cb 0.29 -0.03 -0.03 0.00 2.20 0.00 0.00 35.95 38.39 2k42 h PHE 33 CO -0.01 0.11 0.26 1.03 -0.60 0.00 0.00 178.31 179.10 2k42 h SER 34 N 0.09 0.87 -0.60 2.17 0.87 -1.36 0.78 113.55 116.37 2k42 h SER 34 Ca 0.02 -0.17 -0.09 0.00 -1.23 0.00 0.00 61.79 60.33 2k42 h SER 34 Cb 0.08 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 61.80 2k42 h SER 34 CO 0.00 0.80 0.03 0.03 -0.53 0.00 0.00 176.83 177.16 2k42 h ARG 35 N 0.88 1.06 0.00 2.24 3.08 -0.49 -2.92 114.38 118.23 2k42 h ARG 35 Ca 0.21 -0.31 0.00 0.00 0.07 0.00 0.00 59.98 59.95 2k42 h ARG 35 Cb 0.20 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.14 2k42 h ARG 35 CO -0.02 1.01 0.00 0.00 -1.07 0.00 0.00 179.97 179.89 2k42 n ALA 36 N -2.48 2.09 0.00 0.04 0.00 0.39 -4.88 120.51 115.68 2k42 n ALA 36 Ca 0.03 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.40 2k42 n ALA 36 Cb 0.33 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.39 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 0.96 0.73 3.58 0.00 0.00 -0.29 -5.01 105.19 105.16 2k42 n GLY 37 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.20 3.34 0.75 -0.61 1.01 0.11 -4.96 121.20 118.64 2k42 s ILE 38 Ca 0.00 0.31 -0.01 0.00 0.00 0.00 0.00 60.65 60.95 2k42 s ILE 38 Cb 0.00 -3.56 0.14 0.00 0.01 0.00 0.00 42.46 39.05 2k42 s ILE 38 CO 0.00 -0.42 1.03 -0.44 0.00 0.00 0.00 174.94 175.10 2k42 s SER 39 N 7.44 4.20 0.19 3.58 0.01 -1.26 -4.22 113.70 123.65 2k42 s SER 39 Ca 0.82 -0.40 -0.20 0.00 1.31 0.00 0.00 55.95 57.48 2k42 s SER 39 Cb -0.21 0.08 0.13 0.00 0.21 0.00 0.00 66.02 66.23 2k42 s SER 39 CO 0.30 -1.97 1.59 -0.08 0.41 0.00 0.00 173.24 173.50 2k42 h GLU 40 N -0.62 -0.15 -0.90 12.44 4.81 -1.98 0.14 114.58 128.32 2k42 h GLU 40 Ca -0.36 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 58.88 2k42 h GLU 40 Cb 1.26 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 30.63 2k42 h GLU 40 CO 0.39 -0.10 0.55 0.00 -0.73 0.00 0.00 179.01 179.12 2k42 h ALA 41 N 1.06 1.14 -0.06 2.92 0.00 -1.94 -0.96 119.26 121.42 2k42 h ALA 41 Ca 0.23 -0.09 -0.15 0.00 0.00 0.00 0.00 54.91 54.91 2k42 h ALA 41 Cb 0.54 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2k42 h ALA 41 CO -0.65 0.59 -0.62 0.37 0.00 0.00 0.00 179.25 178.94 2k42 h GLN 42 N 1.23 0.22 0.00 0.00 4.15 -1.54 -1.27 115.11 117.90 2k42 h GLN 42 Ca 0.32 -0.15 -0.06 0.00 0.77 0.00 0.00 58.65 59.53 2k42 h GLN 42 Cb -0.07 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 27.64 2k42 h GLN 42 CO -0.06 0.76 -0.28 -0.07 -1.93 0.00 0.00 178.83 177.25 2k42 h LEU 43 N 0.16 0.00 -3.51 -2.39 3.38 -0.34 -2.65 115.31 109.96 2k42 h LEU 43 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2k42 h LEU 43 Cb 1.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.87 2k42 h LEU 43 CO 0.09 0.28 0.00 0.35 0.09 0.00 0.00 178.44 179.25 2k42 n THR 44 N -3.47 2.65 -2.84 0.22 -2.24 -0.40 0.21 114.28 108.40 2k42 n THR 44 Ca -0.00 -1.40 -0.30 0.00 -2.27 0.00 0.00 64.05 60.08 2k42 n THR 44 Cb 0.45 -0.23 -0.03 0.00 -2.10 0.00 0.00 70.33 68.42 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 -0.83 6.50 -0.04 3.42 2.15 -0.57 -4.56 116.67 122.74 2k42 s ASP 45 Ca 0.54 1.12 -0.14 0.00 0.43 0.00 0.00 52.55 54.50 2k42 s ASP 45 Cb 0.41 -2.32 -0.08 0.00 -0.30 0.00 0.00 42.92 40.63 2k42 s ASP 45 CO 0.17 -0.41 0.60 0.00 -0.17 0.00 0.00 175.17 175.36 2k42 h ALA 46 N 1.20 -0.52 0.14 3.66 0.00 -1.88 -3.14 119.26 118.72 2k42 h ALA 46 Ca -0.47 -0.11 -0.29 0.00 0.00 0.00 0.00 54.91 54.04 2k42 h ALA 46 Cb 1.19 0.20 0.02 0.00 0.00 0.00 0.00 17.79 19.19 2k42 h ALA 46 CO 0.64 -0.49 -1.26 1.05 0.00 0.00 0.00 179.25 179.20 2k42 h GLU 47 N -1.11 0.43 0.49 0.00 4.11 -1.94 -3.13 114.58 113.42 2k42 h GLU 47 Ca -0.05 -0.64 -0.01 0.00 0.07 0.00 0.00 59.36 58.72 2k42 h GLU 47 Cb 0.39 0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.85 2k42 h GLU 47 CO 0.09 1.29 -0.46 1.15 0.07 0.00 0.00 179.01 181.14 2k42 h THR 48 N 0.15 0.08 -0.73 -1.06 2.02 -1.85 -1.95 112.91 109.59 2k42 h THR 48 Ca -0.17 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.01 2k42 h THR 48 Cb 1.95 0.08 -0.04 0.00 -1.74 0.00 0.00 68.15 68.41 2k42 h THR 48 CO 0.22 0.00 0.44 0.77 0.37 0.00 0.00 175.52 177.32 2k42 h SER 49 N -0.96 0.87 -0.82 4.18 4.64 -1.65 0.32 113.55 120.13 2k42 h SER 49 Ca -0.06 -0.06 0.03 0.00 -0.47 0.00 0.00 61.79 61.23 2k42 h SER 49 Cb 0.83 -0.22 -0.04 0.00 -0.31 0.00 0.00 62.40 62.66 2k42 h SER 49 CO -0.05 0.67 0.54 0.50 -0.87 0.00 0.00 176.83 177.62 2k42 h LYS 50 N 0.99 1.01 0.00 4.77 3.64 -1.48 -0.37 116.57 125.12 2k42 h LYS 50 Ca 0.26 -0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 59.54 2k42 h LYS 50 Cb -0.04 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 31.55 2k42 h LYS 50 CO -0.05 0.67 -0.98 -0.07 -2.27 0.00 0.00 179.45 176.75 2k42 h LEU 51 N 1.04 0.00 -0.23 5.20 3.38 -0.53 -0.76 115.31 123.41 2k42 h LEU 51 Ca 0.32 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.28 2k42 h LEU 51 Cb -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 2k42 h LEU 51 CO -0.09 0.16 0.10 0.40 0.09 0.00 0.00 178.44 179.10 2k42 h ILE 52 N 0.00 1.15 -0.34 1.22 2.04 0.19 0.16 117.51 121.93 2k42 h ILE 52 Ca -0.04 -0.46 -0.10 0.00 1.00 0.00 0.00 64.86 65.27 2k42 h ILE 52 Cb 1.15 1.04 -0.02 0.00 -0.74 0.00 0.00 36.82 38.26 2k42 h ILE 52 CO 0.01 0.15 -0.18 0.22 0.00 0.00 0.00 178.15 178.35 2k42 h TYR 53 N 0.22 0.70 -0.33 1.37 3.20 -1.09 -0.05 116.97 120.99 2k42 h TYR 53 Ca 0.08 -0.14 0.01 0.00 3.14 0.00 0.00 58.73 61.82 2k42 h TYR 53 Cb 0.15 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.23 2k42 h TYR 53 CO -0.02 0.78 0.22 0.22 -1.64 0.00 0.00 178.16 177.72 2k42 h ASP 54 N 0.57 0.34 -0.21 -2.11 3.58 -0.93 0.44 116.42 118.10 2k42 h ASP 54 Ca 0.09 -0.01 -0.08 0.00 0.42 0.00 0.00 57.03 57.45 2k42 h ASP 54 Cb 0.63 -0.08 -0.00 0.00 1.72 0.00 0.00 39.33 41.59 2k42 h ASP 54 CO 0.04 0.24 -0.18 0.15 -2.88 0.00 0.00 179.24 176.62 2k42 h PHE 55 N 0.40 0.58 -0.67 0.28 3.57 0.37 0.17 116.94 121.63 2k42 h PHE 55 Ca 0.12 -0.17 -0.04 0.00 3.53 0.00 0.00 57.97 61.42 2k42 h PHE 55 Cb 0.01 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 38.60 2k42 h PHE 55 CO -0.00 0.82 0.26 0.82 -2.23 0.00 0.00 178.31 177.98 2k42 h ILE 56 N 0.17 1.24 -0.68 1.41 2.04 -0.10 -1.66 117.51 119.92 2k42 h ILE 56 Ca 0.04 -0.77 -0.05 0.00 1.00 0.00 0.00 64.86 65.07 2k42 h ILE 56 Cb 0.71 0.49 -0.03 0.00 -0.74 0.00 0.00 36.82 37.26 2k42 h ILE 56 CO 0.05 0.30 0.22 -0.33 0.00 0.00 0.00 178.15 178.39 2k42 h GLU 57 N 0.95 1.06 -0.96 2.37 4.39 -0.14 0.85 114.58 123.10 2k42 h GLU 57 Ca 0.22 -0.22 0.20 0.00 0.34 0.00 0.00 59.36 59.90 2k42 h GLU 57 Cb 0.22 -0.16 -0.08 0.00 -0.10 0.00 0.00 28.75 28.63 2k42 h GLU 57 CO -0.02 0.91 0.61 0.22 -1.16 0.00 0.00 179.01 179.58 2k42 h ASP 58 N 1.00 0.57 0.76 1.42 3.58 -0.05 0.33 116.42 124.03 2k42 h ASP 58 Ca 0.22 0.07 -0.10 0.00 0.42 0.00 0.00 57.03 57.64 2k42 h ASP 58 Cb 0.29 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.28 2k42 h ASP 58 CO -0.01 0.21 -0.48 1.56 -2.88 0.00 0.00 179.24 177.65 2k42 h GLN 59 N 0.56 0.00 0.00 0.28 1.08 -0.61 -3.47 115.11 112.95 2k42 h GLN 59 Ca 0.52 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.72 2k42 h GLN 59 Cb 1.08 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.51 2k42 h GLN 59 CO -0.27 0.48 0.00 0.41 -0.95 0.00 0.00 178.83 178.50 2k42 n GLY 60 N 0.26 1.25 0.00 3.46 0.00 0.11 -4.82 105.19 105.45 2k42 n GLY 60 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.03 0.85 0.17 -0.02 0.00 0.23 -4.82 105.19 101.57 2k42 n GLY 61 Ca 0.00 -2.09 -0.08 0.00 0.00 0.00 0.00 46.02 43.85 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 0.45 -1.79 0.99 3.38 -1.94 -2.29 115.31 114.11 2k42 h LEU 62 Ca 0.00 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 2k42 h LEU 62 Cb 0.00 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 2k42 h LEU 62 CO 0.00 0.33 0.12 -0.33 0.09 0.00 0.00 178.44 178.65 2k42 h GLU 63 N 0.53 0.26 -0.41 1.13 3.07 -1.93 -1.68 114.58 115.56 2k42 h GLU 63 Ca 0.14 -0.02 -0.14 0.00 -0.50 0.00 0.00 59.36 58.84 2k42 h GLU 63 Cb -0.06 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 27.79 2k42 h GLU 63 CO -0.03 0.18 -0.30 0.00 -1.40 0.00 0.00 179.01 177.46 2k42 h ALA 64 N 1.87 0.59 -0.62 3.43 0.00 -1.73 -2.41 119.26 120.38 2k42 h ALA 64 Ca 0.07 -0.42 -0.03 0.00 0.00 0.00 0.00 54.91 54.53 2k42 h ALA 64 Cb -0.02 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 2k42 h ALA 64 CO -0.01 0.63 0.24 0.28 0.00 0.00 0.00 179.25 180.39 2k42 h VAL 65 N 0.75 1.22 0.00 0.00 2.07 -1.09 -0.52 116.25 118.67 2k42 h VAL 65 Ca 0.08 -0.69 -0.03 0.00 0.82 0.00 0.00 66.70 66.88 2k42 h VAL 65 Cb 0.88 0.49 -0.00 0.00 -1.52 0.00 0.00 31.29 31.14 2k42 h VAL 65 CO 0.08 0.27 -0.14 0.03 0.02 0.00 0.00 177.57 177.83 2k42 h ARG 66 N 0.89 0.00 0.20 1.57 3.08 -1.07 -1.77 114.38 117.28 2k42 h ARG 66 Ca 0.21 0.00 -0.31 0.00 0.07 0.00 0.00 59.98 59.95 2k42 h ARG 66 Cb 0.18 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.25 2k42 h ARG 66 CO -0.02 0.14 -1.39 1.96 -1.07 0.00 0.00 179.97 179.60 2k42 h GLN 67 N 0.00 0.43 -0.97 0.04 4.20 -0.75 -3.27 115.11 114.80 2k42 h GLN 67 Ca -0.00 -0.74 0.11 0.00 0.06 0.00 0.00 58.65 58.08 2k42 h GLN 67 Cb 0.28 0.28 -0.08 0.00 0.30 0.00 0.00 27.48 28.26 2k42 h GLN 67 CO 0.02 1.35 0.62 0.93 -0.67 0.00 0.00 178.83 181.08 2k42 h GLU 68 N 0.12 0.94 -0.33 1.46 4.39 -0.46 0.46 114.58 121.15 2k42 h GLU 68 Ca -0.21 -0.06 0.09 0.00 0.34 0.00 0.00 59.36 59.53 2k42 h GLU 68 Cb 2.09 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 30.52 2k42 h GLU 68 CO 0.25 0.62 0.44 0.52 -1.16 0.00 0.00 179.01 179.68 2k42 h MET 69 N 0.97 0.00 -0.05 2.33 2.86 -1.39 0.20 114.93 119.85 2k42 h MET 69 Ca 0.46 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.10 2k42 h MET 69 Cb 0.44 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.10 2k42 h MET 69 CO -0.22 0.00 0.00 0.54 1.06 0.00 0.00 176.91 178.29 2k42 n ARG 70 N -3.51 0.60 0.00 1.72 1.74 0.74 -4.95 116.66 113.00 2k42 n ARG 70 Ca 0.05 -1.06 0.00 0.00 -0.77 0.00 0.00 57.85 56.08 2k42 n ARG 70 Cb 0.59 -1.10 0.00 0.00 -1.02 0.00 0.00 32.46 30.93 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 0.17 0.00 0.00 5.56 0.63 0.13 -5.09 116.66 118.06 2k42 n ARG 71 Ca 0.03 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.96 2k42 n ARG 71 Cb 0.18 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.09 2k42 n ARG 71 CO 0.00 0.00 0.00 0.94 -2.51 0.00 0.00 177.63 176.06