#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2khr s SER 2 N 0.00 5.67 -0.05 1.61 0.01 -1.26 -4.96 113.70 114.72 2khr s SER 2 Ca 0.00 0.72 0.02 0.00 1.31 0.00 0.00 55.95 58.00 2khr s SER 2 Cb 0.00 -2.53 0.01 0.00 0.21 0.00 0.00 66.02 63.71 2khr s SER 2 CO 0.00 -1.99 -0.11 -1.00 0.41 0.00 0.00 173.24 170.55 2khr s HIS 3 N 7.67 1.27 -0.62 2.43 3.76 -1.26 -5.11 115.29 123.44 2khr s HIS 3 Ca 0.70 -0.43 -0.16 0.00 -0.15 0.00 0.00 55.06 55.02 2khr s HIS 3 Cb -0.16 -0.94 0.15 0.00 1.11 0.00 0.00 32.58 32.73 2khr s HIS 3 CO 0.27 -0.23 0.60 -1.64 -0.85 0.00 0.00 174.74 172.89 2khr s MET 4 N 0.59 3.15 -0.68 1.40 1.00 -1.26 -4.99 119.30 118.50 2khr s MET 4 Ca -0.12 -1.84 -0.23 0.00 0.00 0.00 0.00 55.69 53.50 2khr s MET 4 Cb -0.14 -4.34 0.06 0.00 0.00 0.00 0.00 34.83 30.41 2khr s MET 4 CO 0.03 -1.35 1.03 0.45 0.00 0.00 0.00 175.02 175.18 2khr s SER 5 N 3.28 6.18 0.00 3.03 0.15 -1.26 -4.88 113.70 120.20 2khr s SER 5 Ca 0.08 -0.92 0.30 0.00 0.70 0.00 0.00 55.95 56.11 2khr s SER 5 Cb -0.24 -2.45 1.79 0.00 -1.71 0.00 0.00 66.02 63.41 2khr s SER 5 CO 0.00 -1.51 2.15 0.41 1.20 0.00 0.00 173.24 175.50 2khr n THR 6 N 6.01 0.00 -3.48 6.45 -1.04 -1.26 -4.59 114.28 116.37 2khr n THR 6 Ca -0.02 -0.01 -0.43 0.00 -2.04 0.00 0.00 64.05 61.56 2khr n THR 6 Cb 0.46 -0.45 -0.07 0.00 -1.82 0.00 0.00 70.33 68.45 2khr n THR 6 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 2khr s ASN 7 N -1.94 5.87 0.10 8.00 -0.87 -1.26 -4.88 114.94 119.96 2khr s ASN 7 Ca 0.45 -1.90 0.13 0.00 -1.57 0.00 0.00 52.86 49.97 2khr s ASN 7 Cb 0.21 -2.07 -0.13 0.00 -0.02 0.00 0.00 41.25 39.23 2khr s ASN 7 CO 0.35 -0.74 1.06 1.55 -2.57 0.00 0.00 177.10 176.74 2khr h PRO 8 N 8.57 0.00 -3.98 -0.60 0.14 -2.04 -3.42 132.00 130.67 2khr h PRO 8 Ca -0.23 0.00 -0.73 0.00 0.14 0.00 0.00 66.00 65.18 2khr h PRO 8 Cb 1.08 0.00 -0.31 0.00 0.14 0.00 0.00 31.00 31.91 2khr h PRO 8 CO 0.91 0.58 -0.29 -0.06 0.14 0.00 0.00 178.00 179.28 2khr s PHE 9 N -2.80 3.50 -0.36 1.56 0.08 -1.26 -5.04 117.98 113.65 2khr s PHE 9 Ca -0.01 -2.21 -0.25 0.00 0.12 0.00 0.00 56.93 54.59 2khr s PHE 9 Cb 0.09 -3.45 0.01 0.00 -0.57 0.00 0.00 43.02 39.10 2khr s PHE 9 CO 0.80 -0.94 0.87 -0.51 -0.10 0.00 0.00 175.22 175.34 2khr s ASP 10 N 1.87 6.64 -0.34 1.36 1.01 -1.26 -4.99 116.67 120.96 2khr s ASP 10 Ca 0.12 0.51 -0.27 0.00 0.71 0.00 0.00 52.55 53.61 2khr s ASP 10 Cb -0.21 -2.44 -0.05 0.00 1.01 0.00 0.00 42.92 41.24 2khr s ASP 10 CO -0.03 -0.80 2.18 -0.62 0.21 0.00 0.00 175.17 176.11 2khr s ASP 11 N 1.85 5.22 -0.15 0.27 -1.08 -1.26 -4.92 116.67 116.60 2khr s ASP 11 Ca 0.35 1.47 -0.16 0.00 -0.52 0.00 0.00 52.55 53.69 2khr s ASP 11 Cb -0.12 -2.51 -0.04 0.00 -1.46 0.00 0.00 42.92 38.78 2khr s ASP 11 CO 0.18 -2.21 0.41 1.51 0.52 0.00 0.00 175.17 175.58 2khr s ASP 12 N 9.02 6.55 -0.32 -0.34 -4.77 -1.26 -5.02 116.67 120.53 2khr s ASP 12 Ca 0.94 0.65 -0.01 0.00 -3.30 0.00 0.00 52.55 50.83 2khr s ASP 12 Cb -0.25 -2.24 0.13 0.00 -1.09 0.00 0.00 42.92 39.46 2khr s ASP 12 CO 0.31 -0.00 0.25 0.21 0.70 0.00 0.00 175.17 176.64 2khr s ASN 13 N 0.71 2.34 0.00 2.11 3.84 -1.26 -5.12 114.94 117.56 2khr s ASN 13 Ca 0.22 -1.32 0.00 0.00 0.21 0.00 0.00 52.86 51.97 2khr s ASN 13 Cb -0.14 0.11 0.00 0.00 -0.55 0.00 0.00 41.25 40.67 2khr s ASN 13 CO 0.08 -0.37 0.00 0.61 -2.79 0.00 0.00 177.10 174.63 2khr n GLY 14 N 4.87 3.03 3.92 1.21 0.00 -1.26 -5.15 105.19 111.81 2khr n GLY 14 Ca 0.02 -0.43 -0.29 0.00 0.00 0.00 0.00 46.02 45.32 2khr n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2khr s ALA 15 N -1.00 2.53 -0.03 4.61 0.00 -1.26 -4.89 121.76 121.71 2khr s ALA 15 Ca 0.00 -0.94 -0.09 0.00 0.00 0.00 0.00 51.96 50.93 2khr s ALA 15 Cb 0.00 -2.83 0.01 0.00 0.00 0.00 0.00 23.12 20.31 2khr s ALA 15 CO 0.00 -1.98 0.20 -0.59 0.00 0.00 0.00 175.76 173.39 2khr s PHE 16 N -3.68 -0.11 0.24 0.00 -0.12 -1.26 -0.51 117.98 112.54 2khr s PHE 16 Ca 0.67 0.23 0.09 0.00 -0.05 0.00 0.00 56.93 57.87 2khr s PHE 16 Cb -0.08 0.03 -0.04 0.00 -0.63 0.00 0.00 43.02 42.30 2khr s PHE 16 CO 0.50 -0.23 -0.03 -0.06 -0.05 0.00 0.00 175.22 175.35 2khr s PHE 17 N -0.76 2.69 -0.72 3.49 0.40 0.15 -3.44 117.98 119.79 2khr s PHE 17 Ca -0.08 -0.21 -0.21 0.00 -0.60 0.00 0.00 56.93 55.82 2khr s PHE 17 Cb -0.05 -1.23 0.09 0.00 0.51 0.00 0.00 43.02 42.35 2khr s PHE 17 CO 0.01 0.59 0.96 0.08 0.70 0.00 0.00 175.22 177.57 2khr s VAL 18 N -2.14 4.51 -0.10 -0.44 1.01 -0.39 -1.71 120.40 121.14 2khr s VAL 18 Ca 0.30 -0.78 -0.02 0.00 0.00 0.00 0.00 61.98 61.47 2khr s VAL 18 Cb -0.07 -4.68 -0.03 0.00 0.00 0.00 0.00 36.38 31.60 2khr s VAL 18 CO 0.19 -1.42 -0.03 -0.22 0.00 0.00 0.00 175.10 173.62 2khr s LEU 19 N 3.48 3.38 0.03 3.92 2.96 -0.13 -0.77 118.68 131.55 2khr s LEU 19 Ca 0.23 0.02 0.04 0.00 -0.22 0.00 0.00 54.13 54.20 2khr s LEU 19 Cb -0.15 -1.78 -0.02 0.00 0.50 0.00 0.00 46.19 44.74 2khr s LEU 19 CO 0.04 0.31 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.59 2khr s VAL 20 N -0.49 0.85 0.00 1.68 1.01 0.66 -0.49 120.40 123.61 2khr s VAL 20 Ca 0.08 -0.89 0.00 0.00 0.00 0.00 0.00 61.98 61.17 2khr s VAL 20 Cb -0.12 -0.80 0.00 0.00 0.00 0.00 0.00 36.38 35.46 2khr s VAL 20 CO 0.02 -0.08 0.00 -3.20 0.00 0.00 0.00 175.10 171.85 2khr n ASN 21 N 1.96 1.62 0.05 3.32 5.15 0.29 -0.68 115.26 126.96 2khr n ASN 21 Ca -0.18 -0.96 -0.20 0.00 -0.60 0.00 0.00 54.58 52.64 2khr n ASN 21 Cb 0.55 0.00 -0.14 0.00 -0.53 0.00 0.00 39.78 39.67 2khr n ASN 21 CO 0.00 0.00 0.00 -0.78 1.40 0.00 0.00 177.26 177.88 2khr h ASP 22 N 0.00 0.55 -0.01 1.20 3.58 -1.97 -3.35 116.42 116.43 2khr h ASP 22 Ca 0.00 -0.89 0.00 0.00 0.42 0.00 0.00 57.03 56.56 2khr h ASP 22 Cb 0.00 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 40.87 2khr h ASP 22 CO 0.00 1.40 -0.61 -1.84 -2.88 0.00 0.00 179.24 175.31 2khr n GLU 23 N -4.08 1.22 -4.42 0.28 0.00 -1.26 -4.85 120.64 107.52 2khr n GLU 23 Ca -0.13 -0.51 -0.34 0.00 0.00 0.00 0.00 57.16 56.18 2khr n GLU 23 Cb 0.83 -1.38 -0.14 0.00 0.00 0.00 0.00 31.44 30.75 2khr n GLU 23 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 2khr s ASP 24 N -2.44 4.27 0.00 -1.84 -1.08 -1.26 -5.01 116.67 109.32 2khr s ASP 24 Ca 0.12 -0.30 0.19 0.00 -0.52 0.00 0.00 52.55 52.04 2khr s ASP 24 Cb 0.15 -1.69 0.31 0.00 -1.46 0.00 0.00 42.92 40.23 2khr s ASP 24 CO 0.61 0.11 1.25 0.00 0.52 0.00 0.00 175.17 177.65 2khr n GLN 25 N 3.91 2.13 -3.61 4.34 1.13 -1.26 -0.55 117.38 123.46 2khr n GLN 25 Ca -0.18 -1.98 -0.03 0.00 -1.94 0.00 0.00 57.00 52.87 2khr n GLN 25 Cb 0.52 -1.41 -0.06 0.00 0.11 0.00 0.00 30.24 29.40 2khr n GLN 25 CO 0.00 0.00 0.00 -3.38 -1.44 0.00 0.00 177.06 172.24 2khr s HIS 26 N -1.36 -0.81 -0.25 1.08 -3.43 -1.26 -4.92 115.29 104.34 2khr s HIS 26 Ca 0.30 1.57 -0.02 0.00 -0.80 0.00 0.00 55.06 56.11 2khr s HIS 26 Cb 0.18 0.49 0.13 0.00 -1.43 0.00 0.00 32.58 31.95 2khr s HIS 26 CO 0.25 -0.40 0.35 -1.12 -2.00 0.00 0.00 174.74 171.82 2khr s SER 27 N 1.74 0.57 -0.77 7.38 0.01 0.35 -4.98 113.70 117.99 2khr s SER 27 Ca -0.08 -0.05 -0.26 0.00 1.31 0.00 0.00 55.95 56.87 2khr s SER 27 Cb -0.05 0.96 0.03 0.00 0.21 0.00 0.00 66.02 67.16 2khr s SER 27 CO -0.17 -0.32 1.34 -0.76 0.41 0.00 0.00 173.24 173.74 2khr s LEU 28 N 2.50 3.21 -0.27 2.44 2.01 -1.26 -0.96 118.68 126.35 2khr s LEU 28 Ca 0.11 -0.55 -0.07 0.00 0.01 0.00 0.00 54.13 53.64 2khr s LEU 28 Cb -0.15 -2.56 -0.01 0.00 0.01 0.00 0.00 46.19 43.48 2khr s LEU 28 CO -0.20 -1.83 0.07 0.86 1.01 0.00 0.00 176.35 176.26 2khr s TRP 29 N 5.87 3.11 0.61 0.29 -0.11 -0.70 -4.89 118.94 123.12 2khr s TRP 29 Ca 0.39 -0.72 -0.18 0.00 1.22 0.00 0.00 56.10 56.80 2khr s TRP 29 Cb -0.07 -2.24 -0.03 0.00 -1.50 0.00 0.00 33.47 29.63 2khr s TRP 29 CO 0.12 -0.48 1.21 -2.14 -4.62 0.00 0.00 176.95 171.04 2khr s PRO 30 N 1.55 2.86 0.00 5.86 0.02 -1.26 0.32 135.00 144.35 2khr s PRO 30 Ca 0.05 1.81 0.00 0.00 0.02 0.00 0.00 61.00 62.88 2khr s PRO 30 Cb -0.16 -1.92 0.00 0.00 0.02 0.00 0.00 34.50 32.44 2khr s PRO 30 CO 0.03 -1.29 0.00 1.33 -0.33 0.00 0.00 177.00 176.74 2khr n VAL 31 N -1.75 0.00 0.00 3.83 0.24 0.34 -4.27 118.33 116.71 2khr n VAL 31 Ca 0.14 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.44 2khr n VAL 31 Cb 0.50 -1.63 0.00 0.00 -1.47 0.00 0.00 33.84 31.23 2khr n VAL 31 CO 0.00 0.00 0.00 0.33 -2.14 0.00 0.00 176.83 175.02 2khr n PHE 32 N -2.13 0.00 -1.91 6.34 7.35 -1.26 -4.90 117.46 120.95 2khr n PHE 32 Ca 0.00 0.00 -0.33 0.00 -0.76 0.00 0.00 57.45 56.36 2khr n PHE 32 Cb 0.00 0.00 0.03 0.00 0.35 0.00 0.00 39.48 39.86 2khr n PHE 32 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2khr s ALA 33 N 0.00 2.59 0.29 3.13 0.00 -1.26 -5.01 121.76 121.49 2khr s ALA 33 Ca 0.00 0.52 -0.26 0.00 0.00 0.00 0.00 51.96 52.23 2khr s ALA 33 Cb 0.00 -3.29 -0.09 0.00 0.00 0.00 0.00 23.12 19.73 2khr s ALA 33 CO 0.00 -1.06 0.90 0.34 0.00 0.00 0.00 175.76 175.94 2khr s ASP 34 N -2.56 7.35 -0.08 0.00 2.15 -1.26 -5.06 116.67 117.21 2khr s ASP 34 Ca 0.66 1.78 -0.08 0.00 0.43 0.00 0.00 52.55 55.34 2khr s ASP 34 Cb -0.19 -2.55 -0.04 0.00 -0.30 0.00 0.00 42.92 39.83 2khr s ASP 34 CO 0.38 0.00 0.20 -0.63 -0.17 0.00 0.00 175.17 174.95 2khr s ILE 35 N -1.51 5.41 0.00 4.11 1.01 -1.26 -5.11 121.20 123.85 2khr s ILE 35 Ca 0.47 0.29 0.00 0.00 0.00 0.00 0.00 60.65 61.41 2khr s ILE 35 Cb -0.20 -3.47 0.00 0.00 0.01 0.00 0.00 42.46 38.80 2khr s ILE 35 CO 0.25 0.58 0.00 -0.81 0.00 0.00 0.00 174.94 174.95 2khr n PRO 36 N 1.83 1.00 -4.51 2.79 -0.04 -1.26 -5.06 135.00 129.75 2khr n PRO 36 Ca -0.18 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 62.99 2khr n PRO 36 Cb 0.54 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.87 2khr n PRO 36 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2khr s ALA 37 N -2.22 2.45 0.00 0.55 0.00 -1.26 -4.70 121.76 116.58 2khr s ALA 37 Ca 0.00 -1.37 0.00 0.00 0.00 0.00 0.00 51.96 50.59 2khr s ALA 37 Cb 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 23.12 22.62 2khr s ALA 37 CO 0.00 0.55 0.00 0.41 0.00 0.00 0.00 175.76 176.72 2khr n GLY 38 N 1.15 0.60 3.96 0.00 0.00 -1.26 -5.06 105.19 104.58 2khr n GLY 38 Ca -0.17 -0.77 -0.25 0.00 0.00 0.00 0.00 46.02 44.83 2khr n GLY 38 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2khr s TRP 39 N -2.00 2.13 -0.12 1.61 1.48 -1.26 -4.64 118.94 116.13 2khr s TRP 39 Ca 0.00 0.11 -0.04 0.00 -1.06 0.00 0.00 56.10 55.11 2khr s TRP 39 Cb 0.00 -3.29 0.05 0.00 -1.16 0.00 0.00 33.47 29.07 2khr s TRP 39 CO 0.00 -1.75 0.07 0.50 -4.06 0.00 0.00 176.95 171.71 2khr s ARG 40 N -5.31 0.07 -0.25 3.25 6.06 0.14 -5.00 118.95 117.90 2khr s ARG 40 Ca 0.65 0.07 -0.16 0.00 -2.50 0.00 0.00 55.73 53.79 2khr s ARG 40 Cb -0.07 -1.34 -0.03 0.00 0.06 0.00 0.00 34.95 33.56 2khr s ARG 40 CO 0.46 -0.53 0.44 0.08 -2.50 0.00 0.00 175.30 173.25 2khr s VAL 41 N 2.13 5.13 -0.03 7.11 1.01 -1.26 -0.24 120.40 134.25 2khr s VAL 41 Ca 0.03 0.73 -0.14 0.00 0.00 0.00 0.00 61.98 62.60 2khr s VAL 41 Cb -0.14 -3.76 -0.32 0.00 0.00 0.00 0.00 36.38 32.15 2khr s VAL 41 CO -0.07 0.14 0.78 0.58 0.00 0.00 0.00 175.10 176.54 2khr h VAL 42 N 5.33 1.11 -2.08 2.92 2.07 -1.32 -3.49 116.25 120.79 2khr h VAL 42 Ca -0.31 -2.56 0.08 0.00 0.82 0.00 0.00 66.70 64.72 2khr h VAL 42 Cb 1.15 2.89 -0.18 0.00 -1.52 0.00 0.00 31.29 33.64 2khr h VAL 42 CO 0.69 0.81 0.46 -2.28 0.02 0.00 0.00 177.57 177.27 2khr s HIS 43 N -2.56 -0.39 0.00 1.57 2.46 -1.23 -5.03 115.29 110.11 2khr s HIS 43 Ca -0.14 0.43 0.00 0.00 0.47 0.00 0.00 55.06 55.82 2khr s HIS 43 Cb 0.04 0.50 0.00 0.00 -0.13 0.00 0.00 32.58 32.99 2khr s HIS 43 CO 0.87 -0.51 0.00 0.41 -2.47 0.00 0.00 174.74 173.05 2khr n GLY 44 N 0.15 -0.66 3.53 1.59 0.00 -1.26 -1.27 105.19 107.28 2khr n GLY 44 Ca -0.11 -1.32 -0.42 0.00 0.00 0.00 0.00 46.02 44.18 2khr n GLY 44 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2khr s GLU 45 N 0.00 3.26 0.36 1.61 8.01 -1.22 -3.97 118.70 126.75 2khr s GLU 45 Ca 0.00 -0.58 0.08 0.00 0.01 0.00 0.00 54.97 54.48 2khr s GLU 45 Cb 0.00 -4.42 -0.04 0.00 -4.31 0.00 0.00 34.13 25.36 2khr s GLU 45 CO 0.00 -2.08 0.22 0.00 0.01 0.00 0.00 175.26 173.42 2khr s ALA 46 N 5.14 3.69 -0.04 5.21 0.00 -1.26 -4.99 121.76 129.52 2khr s ALA 46 Ca 0.34 -1.83 -0.39 0.00 0.00 0.00 0.00 51.96 50.08 2khr s ALA 46 Cb -0.08 -0.85 -0.18 0.00 0.00 0.00 0.00 23.12 22.00 2khr s ALA 46 CO 0.09 -0.04 1.29 0.43 0.00 0.00 0.00 175.76 177.53 2khr n SER 47 N -1.28 1.00 -0.17 0.00 7.64 -1.26 -4.71 113.62 114.84 2khr n SER 47 Ca -0.01 1.14 -0.02 0.00 1.01 0.00 0.00 58.87 60.99 2khr n SER 47 Cb 0.61 -1.05 0.07 0.00 -1.01 0.00 0.00 64.21 62.84 2khr n SER 47 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 2khr h ARG 48 N 4.22 0.21 -0.76 1.43 1.12 -1.96 0.14 114.38 118.78 2khr h ARG 48 Ca -0.49 -0.01 -0.02 0.00 -1.11 0.00 0.00 59.98 58.35 2khr h ARG 48 Cb 1.38 -0.05 -0.04 0.00 -0.01 0.00 0.00 29.97 31.25 2khr h ARG 48 CO 0.76 0.14 0.38 0.00 -3.11 0.00 0.00 179.97 178.14 2khr h ALA 49 N 1.42 1.24 -0.03 2.80 0.00 -1.99 -1.34 119.26 121.36 2khr h ALA 49 Ca 0.26 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 2khr h ALA 49 Cb 0.37 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2khr h ALA 49 CO -0.36 0.59 -0.52 0.00 0.00 0.00 0.00 179.25 178.97 2khr h ALA 50 N 1.35 1.09 -0.08 0.00 0.00 -1.34 0.20 119.26 120.48 2khr h ALA 50 Ca 0.26 -0.48 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 2khr h ALA 50 Cb 0.08 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 2khr h ALA 50 CO -0.04 0.65 -0.07 0.00 0.00 0.00 0.00 179.25 179.80 2khr h LEU 52 N -0.24 0.52 -0.65 0.00 3.38 -1.10 -1.01 115.31 116.21 2khr h LEU 52 Ca 0.01 0.03 0.08 0.00 0.09 0.00 0.00 57.88 58.09 2khr h LEU 52 Cb 0.57 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 41.18 2khr h LEU 52 CO 0.02 0.34 0.31 -0.78 0.09 0.00 0.00 178.44 178.42 2khr h ASP 53 N 0.65 0.40 0.13 -0.43 1.82 -0.49 0.70 116.42 119.20 2khr h ASP 53 Ca 0.27 0.05 -0.01 0.00 -0.39 0.00 0.00 57.03 56.96 2khr h ASP 53 Cb 0.15 -0.01 0.00 0.00 0.68 0.00 0.00 39.33 40.15 2khr h ASP 53 CO -0.16 0.25 -0.06 0.22 -1.61 0.00 0.00 179.24 177.87 2khr h TYR 54 N 0.55 -0.16 -0.10 0.28 3.20 -0.13 -0.69 116.97 119.93 2khr h TYR 54 Ca 0.31 -0.00 -0.17 0.00 3.14 0.00 0.00 58.73 62.00 2khr h TYR 54 Cb 0.30 0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.62 2khr h TYR 54 CO -0.12 0.01 -0.67 -0.39 -1.64 0.00 0.00 178.16 175.35 2khr h VAL 55 N -0.29 1.37 -0.22 1.81 -1.51 -0.93 -2.12 116.25 114.35 2khr h VAL 55 Ca -0.02 -2.04 -0.20 0.00 -1.23 0.00 0.00 66.70 63.21 2khr h VAL 55 Cb 0.24 2.02 0.00 0.00 -2.13 0.00 0.00 31.29 31.42 2khr h VAL 55 CO 0.03 0.61 -0.66 -0.33 -1.23 0.00 0.00 177.57 176.00 2khr h GLU 56 N 0.29 0.82 0.00 5.19 5.08 -0.84 -2.94 114.58 122.19 2khr h GLU 56 Ca -0.02 -0.59 0.00 0.00 -1.00 0.00 0.00 59.36 57.75 2khr h GLU 56 Cb 1.22 0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.57 2khr h GLU 56 CO 0.11 1.21 0.00 0.87 -1.00 0.00 0.00 179.01 180.21 2khr h LYS 57 N 0.60 0.00 0.00 2.33 1.57 -1.11 -1.16 116.57 118.81 2khr h LYS 57 Ca -0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2khr h LYS 57 Cb 1.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.58 2khr h LYS 57 CO 0.14 0.00 0.00 0.09 -0.57 0.00 0.00 179.45 179.11 2khr n ASN 58 N -2.31 0.62 0.00 0.86 5.03 -0.80 -4.87 115.26 113.80 2khr n ASN 58 Ca 0.04 0.66 0.00 0.00 0.87 0.00 0.00 54.58 56.14 2khr n ASN 58 Cb 0.34 -0.79 0.00 0.00 -1.02 0.00 0.00 39.78 38.31 2khr n ASN 58 CO 0.00 0.00 0.00 1.87 -1.83 0.00 0.00 177.26 177.30 2khr n TRP 59 N -2.19 0.00 -2.85 3.10 -0.00 -0.44 -4.92 117.44 110.14 2khr n TRP 59 Ca 0.02 0.00 -0.44 0.00 -0.00 0.00 0.00 57.50 57.08 2khr n TRP 59 Cb 0.22 -0.92 0.00 0.00 -0.00 0.00 0.00 31.31 30.62 2khr n TRP 59 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 177.69 180.10 2khr n THR 60 N -2.46 4.33 -3.71 5.87 -1.04 -1.25 -4.82 114.28 111.21 2khr n THR 60 Ca 0.00 -4.74 -0.05 0.00 -2.04 0.00 0.00 64.05 57.22 2khr n THR 60 Cb 0.21 -2.44 -0.02 0.00 -1.82 0.00 0.00 70.33 66.26 2khr n THR 60 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2khr s ASP 61 N 2.18 -0.23 0.14 8.00 2.15 -1.26 -4.81 116.67 122.83 2khr s ASP 61 Ca 0.41 -0.33 -0.12 0.00 0.43 0.00 0.00 52.55 52.94 2khr s ASP 61 Cb -0.01 0.49 -0.01 0.00 -0.30 0.00 0.00 42.92 43.10 2khr s ASP 61 CO -0.00 -0.89 1.55 -0.07 -0.17 0.00 0.00 175.17 175.59 2khr h LEU 62 N 2.00 0.90 -6.99 -1.34 3.38 -2.03 -3.38 115.31 107.86 2khr h LEU 62 Ca -0.24 -0.37 -0.61 0.00 0.09 0.00 0.00 57.88 56.75 2khr h LEU 62 Cb 1.24 -0.25 -0.40 0.00 0.09 0.00 0.00 40.66 41.34 2khr h LEU 62 CO 0.27 1.07 -0.71 -0.13 0.09 0.00 0.00 178.44 179.02 2khr s ARG 63 N -4.77 1.61 0.00 1.13 0.52 -1.26 -5.09 118.95 111.09 2khr s ARG 63 Ca -0.12 -2.42 -0.30 0.00 -0.52 0.00 0.00 55.73 52.37 2khr s ARG 63 Cb 0.11 -2.61 -0.07 0.00 0.52 0.00 0.00 34.95 32.90 2khr s ARG 63 CO 0.84 -1.21 1.74 -2.14 0.02 0.00 0.00 175.30 174.55 2khr s PRO 64 N -0.19 4.17 0.09 3.54 0.02 -1.26 -4.99 135.00 136.39 2khr s PRO 64 Ca 0.21 2.34 0.03 0.00 0.02 0.00 0.00 61.00 63.60 2khr s PRO 64 Cb -0.16 -3.93 -0.04 0.00 0.02 0.00 0.00 34.50 30.39 2khr s PRO 64 CO -0.06 -0.85 -0.09 -1.59 -0.33 0.00 0.00 177.00 174.08 2khr s LYS 65 N 3.79 0.81 -0.29 5.54 -2.85 -1.26 -5.12 119.74 120.35 2khr s LYS 65 Ca 0.78 -1.16 -0.01 0.00 -1.00 0.00 0.00 55.97 54.58 2khr s LYS 65 Cb -0.38 -0.43 0.19 0.00 -2.06 0.00 0.00 37.83 35.16 2khr s LYS 65 CO 0.33 0.05 0.75 0.45 0.10 0.00 0.00 175.35 177.04 2khr s SER 66 N -2.50 -1.19 -0.04 0.03 0.15 -1.26 -4.72 113.70 104.16 2khr s SER 66 Ca 0.05 0.21 0.11 0.00 0.70 0.00 0.00 55.95 57.03 2khr s SER 66 Cb -0.02 1.78 0.33 0.00 -1.71 0.00 0.00 66.02 66.41 2khr s SER 66 CO -0.01 -0.22 1.27 0.18 1.20 0.00 0.00 173.24 175.66 2khr n LEU 67 N 5.33 3.07 -3.68 3.45 4.77 -1.26 -4.94 117.00 123.73 2khr n LEU 67 Ca 0.05 -2.26 -0.10 0.00 -0.03 0.00 0.00 56.01 53.67 2khr n LEU 67 Cb 0.55 -0.29 -0.10 0.00 -2.33 0.00 0.00 43.42 41.25 2khr n LEU 67 CO -0.09 0.70 0.06 -0.60 -1.33 0.00 0.00 177.39 176.13 2khr s ARG 68 N -1.47 0.39 -0.55 3.23 6.06 -1.26 -5.09 118.95 120.26 2khr s ARG 68 Ca 0.26 0.88 0.04 0.00 -2.50 0.00 0.00 55.73 54.41 2khr s ARG 68 Cb 0.17 0.09 0.16 0.00 0.06 0.00 0.00 34.95 35.42 2khr s ARG 68 CO 0.13 -0.19 0.39 0.16 -2.50 0.00 0.00 175.30 173.29 2khr s ASP 69 N 1.77 3.47 -0.27 -2.12 -4.77 -1.26 -5.08 116.67 108.41 2khr s ASP 69 Ca -0.07 -3.34 -0.06 0.00 -3.30 0.00 0.00 52.55 45.78 2khr s ASP 69 Cb -0.09 -1.13 0.00 0.00 -1.09 0.00 0.00 42.92 40.61 2khr s ASP 69 CO -0.13 -0.15 0.04 0.00 0.70 0.00 0.00 175.17 175.63 2khr s ALA 70 N -0.59 2.98 -0.94 2.11 0.00 -1.26 -5.04 121.76 119.03 2khr s ALA 70 Ca 0.26 -1.36 -0.22 0.00 0.00 0.00 0.00 51.96 50.64 2khr s ALA 70 Cb -0.06 -2.00 0.08 0.00 0.00 0.00 0.00 23.12 21.14 2khr s ALA 70 CO -0.14 -0.76 1.28 0.00 0.00 0.00 0.00 175.76 176.14 2khr s MET 71 N 1.49 3.52 -0.27 0.00 0.23 -1.26 -4.98 119.30 118.03 2khr s MET 71 Ca 0.03 -1.27 -0.13 0.00 -1.03 0.00 0.00 55.69 53.29 2khr s MET 71 Cb -0.16 -5.01 -0.04 0.00 -1.53 0.00 0.00 34.83 28.08 2khr s MET 71 CO 0.01 -2.01 0.28 0.08 -2.03 0.00 0.00 175.02 171.35 2khr s VAL 72 N 4.09 5.24 0.43 5.16 1.01 -1.26 -5.08 120.40 129.99 2khr s VAL 72 Ca 0.38 0.38 0.08 0.00 0.00 0.00 0.00 61.98 62.82 2khr s VAL 72 Cb -0.04 -3.62 0.01 0.00 0.00 0.00 0.00 36.38 32.74 2khr s VAL 72 CO -0.06 0.21 0.58 -1.61 0.00 0.00 0.00 175.10 174.22 2khr s GLU 73 N 1.86 2.81 0.00 2.72 2.02 -1.26 -5.27 118.70 121.58 2khr s GLU 73 Ca 0.11 -1.23 0.00 0.00 0.02 0.00 0.00 54.97 53.88 2khr s GLU 73 Cb -0.16 -2.75 0.00 0.00 0.10 0.00 0.00 34.13 31.33 2khr s GLU 73 CO 0.10 -0.30 0.00 -3.47 0.02 0.00 0.00 175.26 171.61