#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 0.47 -4.06 1.61 -0.00 -1.26 -4.96 115.22 107.03 2k42 n HIS 2 Ca 0.00 0.12 -0.17 0.00 -0.00 0.00 0.00 57.72 57.67 2k42 n HIS 2 Cb 0.00 -1.06 -0.15 0.00 -0.00 0.00 0.00 29.99 28.78 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 -2.52 0.44 -0.12 1.57 1.00 -1.26 -5.13 119.30 113.28 2k42 s MET 3 Ca -0.31 -0.06 -0.22 0.00 0.00 0.00 0.00 55.69 55.09 2k42 s MET 3 Cb 0.09 -0.49 -0.03 0.00 0.00 0.00 0.00 34.83 34.39 2k42 s MET 3 CO 0.64 -0.02 0.67 -1.54 0.00 0.00 0.00 175.02 174.77 2k42 s SER 4 N 0.50 6.87 0.12 3.03 1.04 -1.26 -5.06 113.70 118.94 2k42 s SER 4 Ca -0.05 1.06 -0.06 0.00 0.48 0.00 0.00 55.95 57.37 2k42 s SER 4 Cb -0.09 -2.39 -0.02 0.00 0.10 0.00 0.00 66.02 63.63 2k42 s SER 4 CO -0.01 -0.18 0.16 -0.83 0.98 0.00 0.00 173.24 173.37 2k42 s GLY 5 N 0.92 0.47 -0.14 7.32 0.00 -1.26 -5.07 107.32 109.56 2k42 s GLY 5 Ca 0.34 -0.98 -0.03 0.00 0.00 0.00 0.00 44.72 44.05 2k42 s GLY 5 CO 0.15 -1.01 -0.15 0.33 0.00 0.00 0.00 173.10 172.41 2k42 n PHE 6 N -0.10 0.00 -0.35 1.90 7.35 -1.26 -5.13 117.46 119.87 2k42 n PHE 6 Ca -0.10 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.59 2k42 n PHE 6 Cb 0.63 -0.53 0.00 0.00 0.35 0.00 0.00 39.48 39.93 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 -3.26 -1.00 -1.66 -4.13 4.81 -1.26 -4.71 118.16 106.96 2k42 n LYS 7 Ca -0.26 0.74 -0.40 0.00 -0.87 0.00 0.00 58.31 57.51 2k42 n LYS 7 Cb 0.73 -0.82 -0.04 0.00 0.02 0.00 0.00 35.03 34.92 2k42 n LYS 7 CO 0.00 0.00 0.00 1.58 1.17 0.00 0.00 177.40 180.15 2k42 n HIS 8 N -0.77 2.78 -3.54 5.64 -0.00 -1.26 -4.78 115.22 113.28 2k42 n HIS 8 Ca 0.00 -2.12 -0.39 0.00 -0.00 0.00 0.00 57.72 55.21 2k42 n HIS 8 Cb 0.00 -2.21 -0.05 0.00 -0.00 0.00 0.00 29.99 27.73 2k42 n HIS 8 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 2k42 s VAL 9 N 5.82 4.80 -0.68 3.57 1.01 -1.26 -4.98 120.40 128.67 2k42 s VAL 9 Ca 0.57 -3.48 -0.06 0.00 0.00 0.00 0.00 61.98 59.01 2k42 s VAL 9 Cb 0.10 -3.96 -0.23 0.00 0.00 0.00 0.00 36.38 32.28 2k42 s VAL 9 CO 0.07 -1.07 1.58 -1.20 0.00 0.00 0.00 175.10 174.48 2k42 n SER 10 N 2.76 -1.24 0.00 3.32 7.64 -1.26 -4.13 113.62 120.71 2k42 n SER 10 Ca 0.19 -0.53 0.00 0.00 1.01 0.00 0.00 58.87 59.54 2k42 n SER 10 Cb 0.39 -0.43 0.00 0.00 -1.01 0.00 0.00 64.21 63.16 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 4.26 -1.31 0.00 1.43 8.25 -1.26 -5.05 115.22 121.53 2k42 n HIS 11 Ca 0.46 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.92 2k42 n HIS 11 Cb 0.15 0.42 0.00 0.00 1.12 0.00 0.00 29.99 31.69 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 -2.35 0.00 -0.01 1.59 0.31 -1.26 -1.20 118.33 115.41 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 -1.23 0.99 3.63 2.92 0.00 -1.26 -4.99 105.19 105.24 2k42 n GLY 13 Ca 0.00 -0.01 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.00 3.06 -0.08 1.61 -0.00 -0.34 -2.39 118.94 118.79 2k42 s TRP 14 Ca 0.00 0.09 0.00 0.00 -0.00 0.00 0.00 56.10 56.20 2k42 s TRP 14 Cb 0.00 -1.77 -0.03 0.00 -0.00 0.00 0.00 33.47 31.68 2k42 s TRP 14 CO 0.00 0.38 -0.08 0.34 -0.00 0.00 0.00 176.95 177.60 2k42 s ASP 15 N -0.77 4.57 0.00 5.86 -1.08 0.71 -4.97 116.67 120.99 2k42 s ASP 15 Ca 0.12 -0.07 0.00 0.00 -0.52 0.00 0.00 52.55 52.08 2k42 s ASP 15 Cb -0.11 -1.25 0.00 0.00 -1.46 0.00 0.00 42.92 40.09 2k42 s ASP 15 CO 0.02 0.32 0.32 -2.65 0.52 0.00 0.00 175.17 173.70 2k42 n PRO 16 N 2.49 0.00 0.00 4.34 -0.02 -1.26 -0.38 135.00 140.17 2k42 n PRO 16 Ca -0.18 0.32 0.08 0.00 -2.02 0.00 0.00 63.50 61.71 2k42 n PRO 16 Cb 0.53 -0.54 0.06 0.00 -0.02 0.00 0.00 33.50 33.53 2k42 n PRO 16 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 2k42 n GLN 17 N -1.57 1.40 0.10 -0.52 6.02 -1.26 -4.37 117.38 117.18 2k42 n GLN 17 Ca 0.00 -1.38 0.11 0.00 -0.01 0.00 0.00 57.00 55.72 2k42 n GLN 17 Cb 0.00 -1.31 -0.01 0.00 1.02 0.00 0.00 30.24 29.94 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 0.76 0.82 0.00 1.08 3.02 -0.92 -3.34 115.26 116.67 2k42 n ASN 18 Ca 0.09 0.31 0.00 0.00 -0.03 0.00 0.00 54.58 54.96 2k42 n ASN 18 Cb 0.41 0.51 0.00 0.00 -0.61 0.00 0.00 39.78 40.08 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 1.18 -1.78 3.82 7.41 0.00 0.48 -4.42 105.19 111.88 2k42 n GLY 19 Ca -0.00 -1.74 -0.35 0.00 0.00 0.00 0.00 46.02 43.92 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 3.60 -0.58 1.61 0.40 -0.63 -0.21 117.98 122.17 2k42 s PHE 20 Ca 0.00 1.42 -0.27 0.00 -0.60 0.00 0.00 56.93 57.48 2k42 s PHE 20 Cb 0.00 -2.65 0.00 0.00 0.51 0.00 0.00 43.02 40.88 2k42 s PHE 20 CO 0.00 0.26 1.54 0.34 0.70 0.00 0.00 175.22 178.06 2k42 s ASP 21 N -1.77 5.89 0.00 1.36 -1.08 -1.01 -4.64 116.67 115.42 2k42 s ASP 21 Ca 0.46 0.27 0.18 0.00 -0.52 0.00 0.00 52.55 52.95 2k42 s ASP 21 Cb -0.16 -2.54 0.96 0.00 -1.46 0.00 0.00 42.92 39.72 2k42 s ASP 21 CO 0.20 -1.90 1.55 1.33 0.52 0.00 0.00 175.17 176.87 2k42 n VAL 22 N 6.92 0.37 0.05 1.11 0.24 -1.26 -2.57 118.33 123.20 2k42 n VAL 22 Ca 0.14 0.09 -0.23 0.00 -2.04 0.00 0.00 64.34 62.31 2k42 n VAL 22 Cb 0.50 -0.79 -0.15 0.00 -1.47 0.00 0.00 33.84 31.93 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 0.55 -0.69 -1.34 -1.24 -2.01 -3.35 115.58 107.50 2k42 h ASN 23 Ca 0.00 -0.92 -0.45 0.00 0.71 0.00 0.00 56.30 55.64 2k42 h ASN 23 Cb 0.14 -0.18 -0.27 0.00 0.73 0.00 0.00 38.32 38.74 2k42 h ASN 23 CO 0.00 1.74 -0.00 -0.46 -1.29 0.00 0.00 177.43 177.42 2k42 n ASN 24 N -3.69 4.66 -4.74 1.15 0.23 -1.13 -5.02 115.26 106.73 2k42 n ASN 24 Ca -0.25 -3.77 -0.42 0.00 -0.53 0.00 0.00 54.58 49.62 2k42 n ASN 24 Cb 1.02 -0.65 -0.02 0.00 -2.08 0.00 0.00 39.78 38.05 2k42 n ASN 24 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 2k42 s LEU 25 N -3.51 4.38 0.23 -4.53 1.43 -1.06 -4.97 118.68 110.64 2k42 s LEU 25 Ca 0.53 2.65 -0.30 0.00 -1.03 0.00 0.00 54.13 55.98 2k42 s LEU 25 Cb 0.44 -3.62 -0.10 0.00 0.03 0.00 0.00 46.19 42.95 2k42 s LEU 25 CO 0.02 -0.73 1.46 -0.62 0.23 0.00 0.00 176.35 176.71 2k42 s ASP 26 N 0.56 6.65 0.43 2.29 2.15 -1.26 -4.81 116.67 122.69 2k42 s ASP 26 Ca 0.62 2.64 0.23 0.00 0.43 0.00 0.00 52.55 56.47 2k42 s ASP 26 Cb -0.42 -2.62 1.21 0.00 -0.30 0.00 0.00 42.92 40.79 2k42 s ASP 26 CO 0.40 -0.73 1.79 -0.65 -0.17 0.00 0.00 175.17 175.82 2k42 h PRO 27 N 5.47 0.29 0.22 4.34 0.11 -1.98 0.63 132.00 141.08 2k42 h PRO 27 Ca -0.45 -0.02 -0.30 0.00 0.11 0.00 0.00 66.00 65.34 2k42 h PRO 27 Cb 1.21 -0.06 0.04 0.00 0.11 0.00 0.00 31.00 32.29 2k42 h PRO 27 CO 0.81 0.19 -1.32 -0.44 -0.21 0.00 0.00 178.00 177.03 2k42 h ASP 28 N 0.30 0.78 -0.20 -2.05 3.32 -1.99 -1.10 116.42 115.48 2k42 h ASP 28 Ca 0.57 -0.92 0.01 0.00 0.02 0.00 0.00 57.03 56.71 2k42 h ASP 28 Cb 1.64 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 40.92 2k42 h ASP 28 CO -0.22 1.64 0.11 -0.07 -1.72 0.00 0.00 179.24 178.98 2k42 h LEU 29 N 0.04 0.18 -0.40 1.55 3.38 -1.59 -0.48 115.31 117.99 2k42 h LEU 29 Ca -0.23 0.00 0.08 0.00 0.09 0.00 0.00 57.88 57.82 2k42 h LEU 29 Cb 2.04 -0.03 -0.07 0.00 0.09 0.00 0.00 40.66 42.69 2k42 h LEU 29 CO 0.25 0.13 -0.02 -0.09 0.09 0.00 0.00 178.44 178.80 2k42 h ARG 30 N 0.23 0.08 -0.17 1.13 9.65 0.17 0.22 114.38 125.70 2k42 h ARG 30 Ca 0.08 -0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.95 2k42 h ARG 30 Cb 0.00 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 28.56 2k42 h ARG 30 CO -0.04 0.05 0.09 1.03 2.80 0.00 0.00 179.97 183.90 2k42 h SER 31 N 0.08 0.20 0.46 -3.80 0.87 -0.97 -2.71 113.55 107.68 2k42 h SER 31 Ca 0.20 -0.07 -0.02 0.00 -1.23 0.00 0.00 61.79 60.66 2k42 h SER 31 Cb 0.29 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.20 2k42 h SER 31 CO -0.35 0.22 -0.22 0.25 -0.53 0.00 0.00 176.83 176.19 2k42 h LEU 32 N 0.18 -0.52 -0.46 2.23 5.85 -0.49 -0.77 115.31 121.33 2k42 h LEU 32 Ca 0.06 -0.06 0.04 0.00 0.84 0.00 0.00 57.88 58.76 2k42 h LEU 32 Cb 0.05 0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.18 2k42 h LEU 32 CO -0.01 -0.26 0.23 -0.26 -0.34 0.00 0.00 178.44 177.80 2k42 h PHE 33 N -0.78 0.41 -0.35 1.25 0.04 -1.02 0.66 116.94 117.15 2k42 h PHE 33 Ca -0.06 0.02 -0.03 0.00 2.80 0.00 0.00 57.97 60.70 2k42 h PHE 33 Cb 0.55 -0.12 -0.02 0.00 2.20 0.00 0.00 35.95 38.56 2k42 h PHE 33 CO -0.01 0.21 0.10 1.03 -0.60 0.00 0.00 178.31 179.03 2k42 h SER 34 N 0.45 0.46 0.95 2.17 0.87 -1.29 0.15 113.55 117.30 2k42 h SER 34 Ca 0.20 -0.06 -0.15 0.00 -1.23 0.00 0.00 61.79 60.55 2k42 h SER 34 Cb 0.11 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 61.93 2k42 h SER 34 CO -0.14 0.45 -0.72 -0.09 -0.53 0.00 0.00 176.83 175.80 2k42 h ARG 35 N 0.50 0.00 0.00 2.24 2.43 0.63 -3.11 114.38 117.07 2k42 h ARG 35 Ca 0.12 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 2k42 h ARG 35 Cb 0.17 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.72 2k42 h ARG 35 CO -0.01 0.72 -0.19 0.00 -1.51 0.00 0.00 179.97 178.98 2k42 n ALA 36 N -2.34 2.79 0.00 2.80 0.00 0.21 -4.90 120.51 119.06 2k42 n ALA 36 Ca -0.00 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.25 2k42 n ALA 36 Cb 0.75 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.86 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 1.50 2.39 3.67 0.00 0.00 -0.71 -5.06 105.19 106.97 2k42 n GLY 37 Ca 0.06 0.00 -0.43 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 -2.29 4.00 0.71 -0.61 1.09 0.43 -4.94 121.20 119.60 2k42 s ILE 38 Ca 0.00 1.25 0.00 0.00 -1.10 0.00 0.00 60.65 60.80 2k42 s ILE 38 Cb 0.00 -3.80 0.13 0.00 -1.06 0.00 0.00 42.46 37.72 2k42 s ILE 38 CO 0.00 -0.09 0.98 -0.94 -0.10 0.00 0.00 174.94 174.80 2k42 s SER 39 N 2.32 4.37 0.30 3.58 1.04 -1.26 -2.76 113.70 121.29 2k42 s SER 39 Ca 0.61 -0.43 -0.01 0.00 0.48 0.00 0.00 55.95 56.61 2k42 s SER 39 Cb -0.27 0.05 0.47 0.00 0.10 0.00 0.00 66.02 66.38 2k42 s SER 39 CO 0.21 -1.85 1.96 -0.33 0.98 0.00 0.00 173.24 174.21 2k42 h GLU 40 N -0.49 1.01 0.41 4.02 5.08 -1.97 0.20 114.58 122.84 2k42 h GLU 40 Ca -0.35 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 57.91 2k42 h GLU 40 Cb 1.27 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 30.30 2k42 h GLU 40 CO 0.40 0.70 -0.20 0.00 -1.00 0.00 0.00 179.01 178.91 2k42 h ALA 41 N 1.48 -0.55 -0.40 3.43 0.00 -1.97 -2.95 119.26 118.30 2k42 h ALA 41 Ca 0.27 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2k42 h ALA 41 Cb -0.07 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2k42 h ALA 41 CO -0.05 -0.68 0.26 0.37 0.00 0.00 0.00 179.25 179.15 2k42 h GLN 42 N -0.82 0.52 0.00 0.00 4.15 -1.86 0.01 115.11 117.12 2k42 h GLN 42 Ca -0.06 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.33 2k42 h GLN 42 Cb 0.54 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 28.12 2k42 h GLN 42 CO 0.09 0.35 0.00 1.25 -1.93 0.00 0.00 178.83 178.59 2k42 h LEU 43 N 0.54 0.00 -3.00 -2.39 5.85 -0.56 -1.57 115.31 114.18 2k42 h LEU 43 Ca 0.15 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.87 2k42 h LEU 43 Cb -0.06 0.00 0.00 0.00 0.37 0.00 0.00 40.66 40.97 2k42 h LEU 43 CO -0.03 0.00 0.00 0.35 -0.34 0.00 0.00 178.44 178.42 2k42 n THR 44 N -2.73 1.38 -2.86 1.05 -2.24 -0.04 -1.60 114.28 107.23 2k42 n THR 44 Ca 0.00 -1.28 -0.32 0.00 -2.27 0.00 0.00 64.05 60.18 2k42 n THR 44 Cb 0.21 0.27 -0.06 0.00 -2.10 0.00 0.00 70.33 68.66 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 -1.31 6.79 0.03 3.42 1.01 -0.59 -4.10 116.67 121.93 2k42 s ASP 45 Ca 0.27 1.48 -0.16 0.00 0.71 0.00 0.00 52.55 54.84 2k42 s ASP 45 Cb 0.18 -2.46 -0.08 0.00 1.01 0.00 0.00 42.92 41.57 2k42 s ASP 45 CO 0.12 -0.35 1.25 0.00 0.21 0.00 0.00 175.17 176.40 2k42 h ALA 46 N 1.80 -1.00 -0.02 5.23 0.00 -1.87 -1.78 119.26 121.63 2k42 h ALA 46 Ca -0.48 -0.10 -0.19 0.00 0.00 0.00 0.00 54.91 54.14 2k42 h ALA 46 Cb 1.18 0.41 -0.01 0.00 0.00 0.00 0.00 17.79 19.37 2k42 h ALA 46 CO 0.63 -0.99 -0.81 1.05 0.00 0.00 0.00 179.25 179.12 2k42 h GLU 47 N -0.50 0.25 0.88 0.00 9.09 -1.90 -3.01 114.58 119.40 2k42 h GLU 47 Ca -0.04 -0.24 -0.04 0.00 0.05 0.00 0.00 59.36 59.08 2k42 h GLU 47 Cb 0.41 0.06 0.01 0.00 -1.65 0.00 0.00 28.75 27.58 2k42 h GLU 47 CO 0.01 0.94 -0.42 1.15 0.05 0.00 0.00 179.01 180.73 2k42 h THR 48 N 0.16 0.11 -0.73 -1.06 2.02 -1.82 -2.75 112.91 108.83 2k42 h THR 48 Ca -0.04 -0.04 -0.06 0.00 0.77 0.00 0.00 66.41 67.04 2k42 h THR 48 Cb 1.41 0.12 -0.03 0.00 -1.74 0.00 0.00 68.15 67.91 2k42 h THR 48 CO 0.13 0.00 0.22 0.77 0.37 0.00 0.00 175.52 177.01 2k42 h SER 49 N -1.21 1.07 -0.95 4.18 4.64 -1.40 -1.27 113.55 118.61 2k42 h SER 49 Ca -0.12 -0.20 0.07 0.00 -0.47 0.00 0.00 61.79 61.07 2k42 h SER 49 Cb 0.91 -0.28 -0.06 0.00 -0.31 0.00 0.00 62.40 62.65 2k42 h SER 49 CO 0.20 1.00 0.62 0.50 -0.87 0.00 0.00 176.83 178.27 2k42 h LYS 50 N 1.09 1.04 -0.07 4.77 3.64 -1.57 0.14 116.57 125.62 2k42 h LYS 50 Ca 0.24 -0.06 -0.24 0.00 -1.27 0.00 0.00 60.65 59.32 2k42 h LYS 50 Cb 0.31 -0.24 0.01 0.00 -0.41 0.00 0.00 32.23 31.91 2k42 h LYS 50 CO -0.01 0.69 -0.90 -0.07 -2.27 0.00 0.00 179.45 176.89 2k42 h LEU 51 N 1.08 0.85 -0.58 5.20 3.38 -1.08 -2.44 115.31 121.71 2k42 h LEU 51 Ca 0.42 -0.62 0.03 0.00 0.09 0.00 0.00 57.88 57.80 2k42 h LEU 51 Cb 0.22 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.68 2k42 h LEU 51 CO -0.17 1.42 0.34 0.40 0.09 0.00 0.00 178.44 180.52 2k42 h ILE 52 N 0.43 1.03 -0.18 1.22 2.04 -0.41 0.53 117.51 122.17 2k42 h ILE 52 Ca -0.09 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.55 2k42 h ILE 52 Cb 1.54 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 37.92 2k42 h ILE 52 CO 0.18 0.12 0.11 0.22 0.00 0.00 0.00 178.15 178.78 2k42 h TYR 53 N 0.67 0.24 -0.98 1.37 3.20 -0.75 0.18 116.97 120.90 2k42 h TYR 53 Ca 0.24 0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.13 2k42 h TYR 53 Cb 0.06 -0.08 -0.05 0.00 1.54 0.00 0.00 36.73 38.20 2k42 h TYR 53 CO -0.07 0.18 0.65 0.22 -1.64 0.00 0.00 178.16 177.50 2k42 h ASP 54 N 0.23 1.10 0.30 -2.11 3.58 -1.17 -2.16 116.42 116.20 2k42 h ASP 54 Ca 0.07 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.50 2k42 h ASP 54 Cb 0.01 -0.27 -0.03 0.00 1.72 0.00 0.00 39.33 40.76 2k42 h ASP 54 CO -0.01 0.78 -0.37 0.15 -2.88 0.00 0.00 179.24 176.91 2k42 h PHE 55 N 1.30 -1.01 -0.67 0.28 3.57 0.86 -1.69 116.94 119.57 2k42 h PHE 55 Ca 0.37 0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.95 2k42 h PHE 55 Cb -0.09 0.40 -0.04 0.00 2.79 0.00 0.00 35.95 39.01 2k42 h PHE 55 CO -0.00 -0.51 0.44 0.82 -2.23 0.00 0.00 178.31 176.84 2k42 h ILE 56 N -0.72 1.00 0.00 1.41 2.04 -0.42 0.11 117.51 120.94 2k42 h ILE 56 Ca -0.01 -0.23 -0.01 0.00 1.00 0.00 0.00 64.86 65.60 2k42 h ILE 56 Cb 0.67 0.28 -0.00 0.00 -0.74 0.00 0.00 36.82 37.03 2k42 h ILE 56 CO -0.11 0.12 -0.07 -0.08 0.00 0.00 0.00 178.15 178.02 2k42 h GLU 57 N 0.67 0.00 -0.27 2.37 4.81 -1.06 -1.85 114.58 119.26 2k42 h GLU 57 Ca 0.29 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.38 2k42 h GLU 57 Cb 0.28 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 2k42 h GLU 57 CO -0.09 0.07 -0.41 0.22 -0.73 0.00 0.00 179.01 178.07 2k42 h ASP 58 N 0.00 0.68 0.57 1.04 3.58 0.16 -2.47 116.42 119.98 2k42 h ASP 58 Ca -0.00 -0.31 0.00 0.00 0.42 0.00 0.00 57.03 57.14 2k42 h ASP 58 Cb 0.71 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 41.57 2k42 h ASP 58 CO 0.01 1.01 -0.02 0.00 -2.88 0.00 0.00 179.24 177.36 2k42 n GLN 59 N -4.03 0.43 0.00 0.28 3.00 -1.13 -4.88 117.38 111.05 2k42 n GLN 59 Ca -0.02 -0.02 0.00 0.00 -0.01 0.00 0.00 57.00 56.95 2k42 n GLN 59 Cb 0.53 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 29.27 2k42 n GLN 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2k42 n GLY 60 N 1.30 1.45 0.00 1.08 0.00 -0.93 -4.77 105.19 103.32 2k42 n GLY 60 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 0.25 0.26 -0.02 0.00 -0.71 -4.89 105.19 100.02 2k42 n GLY 61 Ca 0.00 -1.76 -0.08 0.00 0.00 0.00 0.00 46.02 44.18 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 0.80 -0.66 0.99 4.07 -1.92 -2.07 115.31 116.53 2k42 h LEU 62 Ca 0.00 -0.21 0.09 0.00 0.08 0.00 0.00 57.88 57.85 2k42 h LEU 62 Cb 0.00 -0.21 -0.07 0.00 1.08 0.00 0.00 40.66 41.46 2k42 h LEU 62 CO 0.00 0.80 0.30 -0.33 -1.08 0.00 0.00 178.44 178.12 2k42 h GLU 63 N 0.77 0.50 -0.35 1.13 3.07 -1.95 -1.59 114.58 116.16 2k42 h GLU 63 Ca 0.18 -0.03 -0.10 0.00 -0.50 0.00 0.00 59.36 58.91 2k42 h GLU 63 Cb 0.28 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 28.07 2k42 h GLU 63 CO -0.01 0.33 -0.18 0.00 -1.40 0.00 0.00 179.01 177.76 2k42 h ALA 64 N 1.42 0.49 -0.65 3.43 0.00 -1.78 -3.11 119.26 119.05 2k42 h ALA 64 Ca 0.33 -0.35 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 2k42 h ALA 64 Cb 0.37 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 2k42 h ALA 64 CO -0.28 0.42 0.24 0.28 0.00 0.00 0.00 179.25 179.91 2k42 h VAL 65 N 0.51 1.23 0.00 0.00 2.07 -0.93 -1.18 116.25 117.95 2k42 h VAL 65 Ca 0.08 -0.75 -0.04 0.00 0.82 0.00 0.00 66.70 66.81 2k42 h VAL 65 Cb 0.72 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 2k42 h VAL 65 CO 0.05 0.30 -0.19 0.03 0.02 0.00 0.00 177.57 177.78 2k42 h ARG 66 N 0.95 0.00 0.05 1.57 3.08 -1.25 -2.89 114.38 115.88 2k42 h ARG 66 Ca 0.22 0.00 -0.28 0.00 0.07 0.00 0.00 59.98 59.98 2k42 h ARG 66 Cb 0.21 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.23 2k42 h ARG 66 CO -0.02 0.19 -1.53 1.96 -1.07 0.00 0.00 179.97 179.51 2k42 h GLN 67 N 0.00 0.10 -1.15 0.04 4.20 -1.23 -3.33 115.11 113.74 2k42 h GLN 67 Ca -0.00 -0.17 0.32 0.00 0.06 0.00 0.00 58.65 58.87 2k42 h GLN 67 Cb 0.37 0.06 -0.07 0.00 0.30 0.00 0.00 27.48 28.14 2k42 h GLN 67 CO 0.02 0.85 0.79 0.93 -0.67 0.00 0.00 178.83 180.76 2k42 h GLU 68 N 0.03 0.15 -1.01 1.46 4.39 -1.03 0.76 114.58 119.34 2k42 h GLU 68 Ca -0.22 -0.01 0.23 0.00 0.34 0.00 0.00 59.36 59.69 2k42 h GLU 68 Cb 1.96 -0.03 -0.10 0.00 -0.10 0.00 0.00 28.75 30.48 2k42 h GLU 68 CO 0.12 0.10 0.62 0.52 -1.16 0.00 0.00 179.01 179.21 2k42 h MET 69 N 0.16 0.56 0.00 2.33 2.86 -1.68 -1.56 114.93 117.59 2k42 h MET 69 Ca 0.60 -0.03 -0.06 0.00 -2.06 0.00 0.00 59.70 58.15 2k42 h MET 69 Cb 2.02 -0.13 -0.13 0.00 0.06 0.00 0.00 31.60 33.43 2k42 h MET 69 CO -0.15 0.37 -0.61 2.89 1.06 0.00 0.00 176.91 180.47 2k42 n ARG 70 N -4.73 0.82 0.00 1.72 0.00 0.11 -4.93 116.66 109.65 2k42 n ARG 70 Ca 0.25 -2.48 0.00 0.00 -0.00 0.00 0.00 57.85 55.62 2k42 n ARG 70 Cb 0.72 -0.92 0.00 0.00 -0.00 0.00 0.00 32.46 32.26 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 -0.49 0.00 -0.39 2.89 0.63 -0.33 -5.10 116.66 113.87 2k42 n ARG 71 Ca 0.12 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.05 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 0.94 -2.51 0.00 0.00 177.63 176.06