#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 6.05 -0.08 1.61 1.04 -1.26 -4.73 113.70 116.35 2khr s SER 2 Ca 0.00 -0.12 0.14 0.00 0.48 0.00 0.00 55.95 56.45 2khr s SER 2 Cb 0.00 -2.55 0.28 0.00 0.10 0.00 0.00 66.02 63.85 2khr s SER 2 CO 0.00 -1.85 1.13 0.00 0.98 0.00 0.00 173.24 173.50 2khr n HIS 3 N 9.81 0.00 -2.84 5.02 -0.00 -1.26 -5.01 115.22 120.94 2khr n HIS 3 Ca 0.08 -0.70 -0.43 0.00 -0.00 0.00 0.00 57.72 56.67 2khr n HIS 3 Cb 0.49 -0.15 -0.03 0.00 -0.00 0.00 0.00 29.99 30.30 2khr n HIS 3 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 176.34 174.70 2khr s MET 4 N -1.35 3.28 -1.18 -1.40 1.00 -1.26 -4.93 119.30 113.45 2khr s MET 4 Ca 0.25 -1.08 -0.18 0.00 0.00 0.00 0.00 55.69 54.68 2khr s MET 4 Cb 0.26 -4.49 -0.03 0.00 0.00 0.00 0.00 34.83 30.56 2khr s MET 4 CO -0.06 -1.85 2.04 0.43 0.00 0.00 0.00 175.02 175.59 2khr n SER 5 N 7.54 3.47 0.12 3.03 7.64 -1.26 -4.54 113.62 129.62 2khr n SER 5 Ca 0.06 -2.78 -0.24 0.00 1.01 0.00 0.00 58.87 56.92 2khr n SER 5 Cb 0.47 -1.49 -0.16 0.00 -1.01 0.00 0.00 64.21 62.03 2khr n SER 5 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 2khr h THR 6 N 4.52 1.14 -3.38 0.44 1.35 -2.04 -3.44 112.91 111.51 2khr h THR 6 Ca 0.48 -2.62 -0.58 0.00 -0.55 0.00 0.00 66.41 63.14 2khr h THR 6 Cb 0.70 2.93 -0.08 0.00 -1.73 0.00 0.00 68.15 69.97 2khr h THR 6 CO 1.81 0.83 0.13 0.21 -0.25 0.00 0.00 175.52 178.25 2khr s ASN 7 N -7.47 6.80 0.00 5.36 3.84 -1.26 -4.95 114.94 117.27 2khr s ASN 7 Ca -0.12 0.98 0.00 0.00 0.21 0.00 0.00 52.86 53.93 2khr s ASN 7 Cb 0.05 -2.38 0.00 0.00 -0.55 0.00 0.00 41.25 38.37 2khr s ASN 7 CO 0.91 -0.23 0.62 -0.81 -2.79 0.00 0.00 177.10 174.80 2khr n PRO 8 N 4.63 0.76 -3.00 0.43 -0.04 -1.26 -4.89 135.00 131.64 2khr n PRO 8 Ca -0.01 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.31 2khr n PRO 8 Cb 0.50 -1.15 0.02 0.00 -0.04 0.00 0.00 33.50 32.83 2khr n PRO 8 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2khr n PHE 9 N -0.26 -3.29 -3.96 0.54 3.72 -1.26 -4.99 117.46 107.95 2khr n PHE 9 Ca 0.00 1.35 -0.35 0.00 -0.05 0.00 0.00 57.45 58.40 2khr n PHE 9 Cb 0.07 -3.53 -0.10 0.00 -0.94 0.00 0.00 39.48 34.98 2khr n PHE 9 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 2khr s ASP 10 N -2.28 5.54 0.04 4.37 1.01 -1.26 -5.09 116.67 119.00 2khr s ASP 10 Ca 0.26 0.02 0.00 0.00 0.71 0.00 0.00 52.55 53.55 2khr s ASP 10 Cb -0.06 -1.96 -0.00 0.00 1.01 0.00 0.00 42.92 41.91 2khr s ASP 10 CO 0.78 0.13 0.00 -0.67 0.21 0.00 0.00 175.17 175.63 2khr n ASP 11 N 3.84 1.71 0.00 0.27 -0.08 -1.26 -5.10 116.55 115.93 2khr n ASP 11 Ca -0.16 -1.18 0.00 0.00 -1.51 0.00 0.00 54.79 51.94 2khr n ASP 11 Cb 0.52 0.05 0.00 0.00 2.34 0.00 0.00 41.12 44.03 2khr n ASP 11 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 2khr n ASP 12 N -1.37 3.41 -4.57 1.67 2.03 -1.26 -5.00 116.55 111.46 2khr n ASP 12 Ca -0.01 0.00 -0.41 0.00 0.52 0.00 0.00 54.79 54.89 2khr n ASP 12 Cb 0.05 0.03 -0.08 0.00 -0.72 0.00 0.00 41.12 40.41 2khr n ASP 12 CO 0.00 0.00 0.00 0.20 -1.92 0.00 0.00 177.20 175.48 2khr s ASN 13 N -3.75 6.35 -1.19 1.67 -0.87 -1.26 -4.98 114.94 110.91 2khr s ASN 13 Ca 0.00 0.08 -0.21 0.00 -1.57 0.00 0.00 52.86 51.16 2khr s ASN 13 Cb 0.00 -2.28 -0.00 0.00 -0.02 0.00 0.00 41.25 38.95 2khr s ASN 13 CO 0.00 -0.46 1.79 -0.83 -2.57 0.00 0.00 177.10 175.03 2khr s GLY 14 N 1.73 0.93 0.89 0.66 0.00 -1.26 -4.85 107.32 105.41 2khr s GLY 14 Ca 0.20 -2.43 -0.12 0.00 0.00 0.00 0.00 44.72 42.36 2khr s GLY 14 CO 0.13 3.09 1.13 0.00 0.00 0.00 0.00 173.10 177.45 2khr s ALA 15 N 7.32 1.85 0.02 3.20 0.00 -1.26 -4.86 121.76 128.03 2khr s ALA 15 Ca 0.60 -0.44 0.01 0.00 0.00 0.00 0.00 51.96 52.13 2khr s ALA 15 Cb 0.01 -3.05 -0.01 0.00 0.00 0.00 0.00 23.12 20.06 2khr s ALA 15 CO 0.07 -2.18 -0.04 -0.59 0.00 0.00 0.00 175.76 173.02 2khr s PHE 16 N -3.24 0.39 0.22 0.00 -0.12 -1.26 -0.08 117.98 113.89 2khr s PHE 16 Ca 0.63 -0.31 0.11 0.00 -0.05 0.00 0.00 56.93 57.31 2khr s PHE 16 Cb -0.15 -0.25 -0.05 0.00 -0.63 0.00 0.00 43.02 41.95 2khr s PHE 16 CO 0.54 -0.08 -0.22 -0.06 -0.05 0.00 0.00 175.22 175.35 2khr s PHE 17 N -0.84 2.24 -0.73 3.49 0.40 0.11 -3.48 117.98 119.18 2khr s PHE 17 Ca -0.07 -0.36 -0.21 0.00 -0.60 0.00 0.00 56.93 55.68 2khr s PHE 17 Cb -0.06 -1.07 0.09 0.00 0.51 0.00 0.00 43.02 42.48 2khr s PHE 17 CO -0.00 0.54 0.99 0.08 0.70 0.00 0.00 175.22 177.54 2khr s VAL 18 N -1.96 4.45 -0.14 -0.44 1.01 -0.30 -1.82 120.40 121.19 2khr s VAL 18 Ca 0.23 -0.71 -0.05 0.00 0.00 0.00 0.00 61.98 61.44 2khr s VAL 18 Cb -0.07 -4.70 -0.04 0.00 0.00 0.00 0.00 36.38 31.57 2khr s VAL 18 CO 0.11 -1.46 0.05 -0.22 0.00 0.00 0.00 175.10 173.58 2khr s LEU 19 N 3.64 3.80 -0.01 3.92 2.96 -0.01 -0.92 118.68 132.06 2khr s LEU 19 Ca 0.24 0.15 0.04 0.00 -0.22 0.00 0.00 54.13 54.34 2khr s LEU 19 Cb -0.14 -1.92 -0.01 0.00 0.50 0.00 0.00 46.19 44.62 2khr s LEU 19 CO 0.05 0.27 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.53 2khr s VAL 20 N -0.24 1.01 0.15 1.68 1.01 0.68 -0.94 120.40 123.75 2khr s VAL 20 Ca 0.07 -0.53 0.09 0.00 0.00 0.00 0.00 61.98 61.61 2khr s VAL 20 Cb -0.12 -0.85 -0.04 0.00 0.00 0.00 0.00 36.38 35.37 2khr s VAL 20 CO 0.02 0.29 -0.20 0.21 0.00 0.00 0.00 175.10 175.42 2khr s ASN 21 N -0.21 2.75 0.31 3.32 3.84 -1.26 -1.31 114.94 122.38 2khr s ASN 21 Ca 0.03 -0.81 0.03 0.00 0.21 0.00 0.00 52.86 52.32 2khr s ASN 21 Cb -0.06 -0.17 0.60 0.00 -0.55 0.00 0.00 41.25 41.08 2khr s ASN 21 CO -0.00 0.02 1.90 -0.78 -2.79 0.00 0.00 177.10 175.44 2khr h ASP 22 N 3.49 0.85 -0.56 -4.21 3.58 -1.99 -1.11 116.42 116.47 2khr h ASP 22 Ca -0.44 0.02 -0.17 0.00 0.42 0.00 0.00 57.03 56.86 2khr h ASP 22 Cb 1.20 -0.16 -0.10 0.00 1.72 0.00 0.00 39.33 41.99 2khr h ASP 22 CO 0.47 0.51 0.15 -1.84 -2.88 0.00 0.00 179.24 175.66 2khr n GLU 23 N -4.52 3.15 -4.28 0.28 0.28 -1.26 -4.95 120.64 109.35 2khr n GLU 23 Ca 0.15 -3.05 -0.22 0.00 -0.16 0.00 0.00 57.16 53.87 2khr n GLU 23 Cb 0.27 -2.05 -0.12 0.00 1.43 0.00 0.00 31.44 30.96 2khr n GLU 23 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 2khr s ASP 24 N -1.55 2.41 -0.15 -1.84 2.15 -0.42 -5.07 116.67 112.21 2khr s ASP 24 Ca 0.50 -0.72 -0.18 0.00 0.43 0.00 0.00 52.55 52.59 2khr s ASP 24 Cb 0.41 -0.13 -0.15 0.00 -0.30 0.00 0.00 42.92 42.75 2khr s ASP 24 CO 0.10 0.01 0.34 1.56 -0.17 0.00 0.00 175.17 177.01 2khr h GLN 25 N 3.92 0.00 -1.62 4.34 7.50 -1.92 -3.39 115.11 123.93 2khr h GLN 25 Ca -0.44 0.00 0.09 0.00 0.50 0.00 0.00 58.65 58.80 2khr h GLN 25 Cb 1.19 0.00 -0.25 0.00 0.05 0.00 0.00 27.48 28.47 2khr h GLN 25 CO 0.42 0.64 0.24 -1.01 -1.50 0.00 0.00 178.83 177.62 2khr s HIS 26 N -2.10 -0.76 -0.24 2.96 3.76 -1.26 -4.91 115.29 112.74 2khr s HIS 26 Ca -0.16 1.48 0.00 0.00 -0.15 0.00 0.00 55.06 56.23 2khr s HIS 26 Cb 0.00 0.46 0.04 0.00 1.11 0.00 0.00 32.58 34.19 2khr s HIS 26 CO 0.44 -0.38 -0.10 -1.12 -0.85 0.00 0.00 174.74 172.74 2khr s SER 27 N 1.64 4.15 -0.80 1.40 0.01 -0.11 -5.05 113.70 114.94 2khr s SER 27 Ca -0.08 -1.01 -0.21 0.00 1.31 0.00 0.00 55.95 55.96 2khr s SER 27 Cb -0.05 -1.60 0.09 0.00 0.21 0.00 0.00 66.02 64.68 2khr s SER 27 CO -0.17 -0.13 1.09 -0.22 0.41 0.00 0.00 173.24 174.22 2khr s LEU 28 N 1.25 4.50 -0.23 2.44 1.98 -1.26 -0.83 118.68 126.52 2khr s LEU 28 Ca -0.02 -1.41 -0.06 0.00 -2.89 0.00 0.00 54.13 49.75 2khr s LEU 28 Cb -0.17 -2.43 -0.03 0.00 0.66 0.00 0.00 46.19 44.22 2khr s LEU 28 CO -0.06 -1.32 0.04 0.86 -1.89 0.00 0.00 176.35 173.97 2khr s TRP 29 N 3.70 3.06 0.29 5.38 -0.11 -0.76 -4.91 118.94 125.60 2khr s TRP 29 Ca 0.29 -0.49 -0.29 0.00 1.22 0.00 0.00 56.10 56.83 2khr s TRP 29 Cb -0.10 -2.18 -0.10 0.00 -1.50 0.00 0.00 33.47 29.59 2khr s TRP 29 CO 0.01 -0.34 1.24 -2.14 -4.62 0.00 0.00 176.95 171.10 2khr s PRO 30 N 1.40 4.45 0.03 5.86 0.02 -1.26 0.07 135.00 145.57 2khr s PRO 30 Ca 0.05 2.06 0.18 0.00 0.02 0.00 0.00 61.00 63.31 2khr s PRO 30 Cb -0.15 -3.13 0.75 0.00 0.02 0.00 0.00 34.50 32.00 2khr s PRO 30 CO 0.02 -0.07 1.57 1.33 -0.33 0.00 0.00 177.00 179.52 2khr n VAL 31 N 1.24 0.82 0.86 3.83 0.24 0.89 -1.86 118.33 124.35 2khr n VAL 31 Ca 0.01 0.20 0.13 0.00 -2.04 0.00 0.00 64.34 62.64 2khr n VAL 31 Cb 0.43 -0.93 0.54 0.00 -1.47 0.00 0.00 33.84 32.41 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 -1.58 0.32 -4.37 6.34 7.35 -1.26 -4.70 117.46 119.55 2khr n PHE 32 Ca 0.04 0.09 -0.35 0.00 -0.76 0.00 0.00 57.45 56.47 2khr n PHE 32 Cb 0.21 -0.65 -0.10 0.00 0.35 0.00 0.00 39.48 39.29 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 -3.04 3.27 0.15 3.13 0.00 -0.78 -5.08 121.76 119.42 2khr s ALA 33 Ca 0.13 -0.81 -0.31 0.00 0.00 0.00 0.00 51.96 50.97 2khr s ALA 33 Cb 0.16 -1.49 -0.09 0.00 0.00 0.00 0.00 23.12 21.71 2khr s ALA 33 CO 0.54 0.56 1.44 0.34 0.00 0.00 0.00 175.76 178.64 2khr s ASP 34 N -0.79 6.75 0.10 0.00 2.15 -1.26 -4.88 116.67 118.73 2khr s ASP 34 Ca 0.12 2.45 -0.30 0.00 0.43 0.00 0.00 52.55 55.25 2khr s ASP 34 Cb -0.11 -2.59 -0.06 0.00 -0.30 0.00 0.00 42.92 39.85 2khr s ASP 34 CO 0.02 -0.69 1.02 -0.63 -0.17 0.00 0.00 175.17 174.71 2khr s ILE 35 N 0.89 4.38 0.00 4.11 1.01 -1.26 -5.06 121.20 125.27 2khr s ILE 35 Ca 0.65 1.92 0.00 0.00 0.00 0.00 0.00 60.65 63.22 2khr s ILE 35 Cb -0.39 -4.23 0.00 0.00 0.01 0.00 0.00 42.46 37.85 2khr s ILE 35 CO 0.33 0.27 0.00 -0.81 0.00 0.00 0.00 174.94 174.72 2khr n PRO 36 N 2.98 -0.08 -3.99 2.79 -0.04 -1.26 -5.07 135.00 130.33 2khr n PRO 36 Ca 0.04 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.28 2khr n PRO 36 Cb 0.49 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.91 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 -2.59 3.75 -0.91 0.55 0.00 -1.26 -4.53 121.76 116.77 2khr s ALA 37 Ca 0.00 -1.42 0.00 0.00 0.00 0.00 0.00 51.96 50.54 2khr s ALA 37 Cb 0.00 -1.41 0.00 0.00 0.00 0.00 0.00 23.12 21.71 2khr s ALA 37 CO 0.00 0.19 0.00 0.41 0.00 0.00 0.00 175.76 176.36 2khr n GLY 38 N -1.30 -0.02 3.88 0.00 0.00 -1.26 -5.00 105.19 101.48 2khr n GLY 38 Ca -0.07 -0.45 -0.30 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.52 3.48 -0.10 1.61 1.48 -1.26 -4.58 118.94 117.05 2khr s TRP 39 Ca 0.00 1.06 -0.02 0.00 -1.06 0.00 0.00 56.10 56.08 2khr s TRP 39 Cb 0.00 -2.46 0.04 0.00 -1.16 0.00 0.00 33.47 29.89 2khr s TRP 39 CO 0.00 -0.15 0.01 0.50 -4.06 0.00 0.00 176.95 173.25 2khr s ARG 40 N -3.96 0.66 -0.36 3.25 6.06 -0.43 -5.02 118.95 119.16 2khr s ARG 40 Ca 0.51 -0.04 -0.16 0.00 -2.50 0.00 0.00 55.73 53.54 2khr s ARG 40 Cb -0.10 -1.29 -0.00 0.00 0.06 0.00 0.00 34.95 33.61 2khr s ARG 40 CO 0.33 -0.39 0.42 0.08 -2.50 0.00 0.00 175.30 173.24 2khr s VAL 41 N 1.93 5.11 0.01 7.11 1.01 -1.26 -0.23 120.40 134.08 2khr s VAL 41 Ca 0.04 0.06 -0.22 0.00 0.00 0.00 0.00 61.98 61.86 2khr s VAL 41 Cb -0.13 -3.90 -0.18 0.00 0.00 0.00 0.00 36.38 32.17 2khr s VAL 41 CO -0.06 -0.18 1.25 0.58 0.00 0.00 0.00 175.10 176.69 2khr h VAL 42 N 5.59 1.40 -3.01 2.92 2.07 -1.40 -3.47 116.25 120.35 2khr h VAL 42 Ca -0.29 -1.49 -0.06 0.00 0.82 0.00 0.00 66.70 65.68 2khr h VAL 42 Cb 1.13 2.15 -0.16 0.00 -1.52 0.00 0.00 31.29 32.89 2khr h VAL 42 CO 0.73 0.43 -0.04 -1.00 0.02 0.00 0.00 177.57 177.71 2khr s HIS 43 N -3.96 -0.32 0.00 1.57 3.76 -1.24 -5.03 115.29 110.07 2khr s HIS 43 Ca -0.15 0.25 0.00 0.00 -0.15 0.00 0.00 55.06 55.02 2khr s HIS 43 Cb 0.04 0.28 0.00 0.00 1.11 0.00 0.00 32.58 34.01 2khr s HIS 43 CO 0.75 -0.63 0.00 0.41 -0.85 0.00 0.00 174.74 174.42 2khr n GLY 44 N 0.31 0.71 3.50 -2.22 0.00 -1.26 -1.15 105.19 105.08 2khr n GLY 44 Ca -0.18 -0.56 -0.42 0.00 0.00 0.00 0.00 46.02 44.86 2khr n GLY 44 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2khr s GLU 45 N 0.00 3.25 0.36 1.61 4.04 -1.23 -3.89 118.70 122.84 2khr s GLU 45 Ca 0.00 -0.73 0.08 0.00 0.04 0.00 0.00 54.97 54.36 2khr s GLU 45 Cb 0.00 -4.42 -0.05 0.00 0.02 0.00 0.00 34.13 29.68 2khr s GLU 45 CO 0.00 -1.99 0.10 0.00 -1.84 0.00 0.00 175.26 171.53 2khr s ALA 46 N 4.69 3.41 -0.05 -0.84 0.00 -1.26 -5.05 121.76 122.66 2khr s ALA 46 Ca 0.31 -1.94 -0.39 0.00 0.00 0.00 0.00 51.96 49.93 2khr s ALA 46 Cb -0.10 -0.52 -0.18 0.00 0.00 0.00 0.00 23.12 22.32 2khr s ALA 46 CO 0.08 -0.00 1.32 0.43 0.00 0.00 0.00 175.76 177.58 2khr n SER 47 N -1.10 1.07 -0.37 0.00 7.64 -1.26 -4.71 113.62 114.89 2khr n SER 47 Ca -0.03 1.14 0.00 0.00 1.01 0.00 0.00 58.87 60.99 2khr n SER 47 Cb 0.62 -1.05 0.14 0.00 -1.01 0.00 0.00 64.21 62.92 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 4.35 1.22 -0.48 1.43 1.12 -1.98 0.57 114.38 120.61 2khr h ARG 48 Ca -0.48 -0.07 0.03 0.00 -1.11 0.00 0.00 59.98 58.34 2khr h ARG 48 Cb 1.37 -0.27 -0.03 0.00 -0.01 0.00 0.00 29.97 31.02 2khr h ARG 48 CO 0.77 0.81 0.27 0.00 -3.11 0.00 0.00 179.97 178.71 2khr h ALA 49 N 1.41 0.61 -0.38 2.80 0.00 -1.99 -1.27 119.26 120.44 2khr h ALA 49 Ca 0.40 -0.00 -0.16 0.00 0.00 0.00 0.00 54.91 55.15 2khr h ALA 49 Cb 0.01 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2khr h ALA 49 CO -0.13 -0.04 -0.38 0.00 0.00 0.00 0.00 179.25 178.69 2khr h ALA 50 N 1.22 0.60 0.04 0.00 0.00 -1.57 -0.35 119.26 119.21 2khr h ALA 50 Ca 0.19 -0.45 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 2khr h ALA 50 Cb 0.04 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.71 2khr h ALA 50 CO -0.10 0.68 -0.02 0.00 0.00 0.00 0.00 179.25 179.81 2khr h LEU 52 N -0.19 0.83 0.26 0.00 -0.00 -1.23 -1.09 115.31 113.89 2khr h LEU 52 Ca -0.01 -0.15 -0.01 0.00 -0.00 0.00 0.00 57.88 57.71 2khr h LEU 52 Cb 0.17 -0.22 0.00 0.00 -0.00 0.00 0.00 40.66 40.62 2khr h LEU 52 CO 0.01 0.81 -0.12 -0.78 -0.00 0.00 0.00 178.44 178.35 2khr h ASP 53 N 0.85 -0.29 -0.21 -0.43 3.58 -0.81 -0.99 116.42 118.11 2khr h ASP 53 Ca 0.18 -0.01 0.05 0.00 0.42 0.00 0.00 57.03 57.67 2khr h ASP 53 Cb 0.31 0.08 -0.05 0.00 1.72 0.00 0.00 39.33 41.39 2khr h ASP 53 CO -0.00 -0.19 -0.10 0.22 -2.88 0.00 0.00 179.24 176.30 2khr h TYR 54 N -0.37 -0.23 -0.48 0.28 3.20 -0.44 -0.29 116.97 118.64 2khr h TYR 54 Ca -0.04 0.02 -0.12 0.00 3.14 0.00 0.00 58.73 61.74 2khr h TYR 54 Cb 0.29 0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.68 2khr h TYR 54 CO -0.05 -0.15 -0.15 -0.39 -1.64 0.00 0.00 178.16 175.77 2khr h VAL 55 N -0.07 1.27 -0.06 1.81 -1.51 -1.12 -1.85 116.25 114.73 2khr h VAL 55 Ca 0.11 -1.30 -0.16 0.00 -1.23 0.00 0.00 66.70 64.12 2khr h VAL 55 Cb 0.24 1.11 -0.01 0.00 -2.13 0.00 0.00 31.29 30.49 2khr h VAL 55 CO -0.26 0.45 -0.67 -0.33 -1.23 0.00 0.00 177.57 175.53 2khr h GLU 56 N 0.80 0.25 -0.42 5.19 5.08 -1.01 -1.62 114.58 122.85 2khr h GLU 56 Ca 0.12 -0.19 -0.14 0.00 -1.00 0.00 0.00 59.36 58.15 2khr h GLU 56 Cb 0.72 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.99 2khr h GLU 56 CO 0.05 0.82 -0.29 0.87 -1.00 0.00 0.00 179.01 179.47 2khr h LYS 57 N 0.17 0.94 -0.01 2.33 1.57 -0.93 -2.67 116.57 117.97 2khr h LYS 57 Ca -0.02 -0.45 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 2khr h LYS 57 Cb 1.20 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.50 2khr h LYS 57 CO 0.10 1.11 0.00 0.09 -0.57 0.00 0.00 179.45 180.18 2khr n ASN 58 N -4.12 0.58 -4.65 0.86 5.03 -0.71 -4.75 115.26 107.51 2khr n ASN 58 Ca -0.01 -1.19 -0.43 0.00 0.87 0.00 0.00 54.58 53.81 2khr n ASN 58 Cb 0.49 -0.00 -0.02 0.00 -1.02 0.00 0.00 39.78 39.23 2khr n ASN 58 CO 0.00 0.00 0.00 0.86 -1.83 0.00 0.00 177.26 176.29 2khr s TRP 59 N -2.00 3.25 -0.12 3.10 -0.00 -0.61 -5.03 118.94 117.53 2khr s TRP 59 Ca 0.44 1.33 -0.09 0.00 -0.00 0.00 0.00 56.10 57.78 2khr s TRP 59 Cb 0.22 -3.47 -0.04 0.00 -0.00 0.00 0.00 33.47 30.17 2khr s TRP 59 CO 0.36 -0.62 0.20 0.99 -0.00 0.00 0.00 176.95 177.88 2khr s THR 60 N 3.41 5.39 -1.81 5.86 2.01 -1.26 -4.97 115.64 124.27 2khr s THR 60 Ca 0.44 0.35 0.04 0.00 0.31 0.00 0.00 61.69 62.83 2khr s THR 60 Cb -0.14 -3.49 0.14 0.00 0.01 0.00 0.00 72.50 69.03 2khr s THR 60 CO 0.10 0.56 1.05 -0.90 -0.69 0.00 0.00 174.62 174.75 2khr n ASP 61 N 2.35 1.00 -2.07 3.53 5.75 -1.26 -4.39 116.55 121.47 2khr n ASP 61 Ca -0.18 -2.03 -0.11 0.00 -0.01 0.00 0.00 54.79 52.46 2khr n ASP 61 Cb 0.54 -0.17 -0.15 0.00 -1.03 0.00 0.00 41.12 40.30 2khr n ASP 61 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 2khr n LEU 62 N -0.03 4.67 -4.00 -2.12 7.94 -1.26 -4.63 117.00 117.57 2khr n LEU 62 Ca 0.05 -2.89 -0.32 0.00 -1.11 0.00 0.00 56.01 51.74 2khr n LEU 62 Cb 0.18 -1.26 -0.12 0.00 0.53 0.00 0.00 43.42 42.74 2khr n LEU 62 CO 0.04 1.45 -0.10 -0.60 -1.11 0.00 0.00 177.39 177.07 2khr s ARG 63 N 1.23 2.19 0.21 1.96 3.00 -1.26 -5.09 118.95 121.19 2khr s ARG 63 Ca 0.59 -2.61 -0.14 0.00 -1.00 0.00 0.00 55.73 52.57 2khr s ARG 63 Cb 0.28 -3.46 -0.08 0.00 0.00 0.00 0.00 34.95 31.69 2khr s ARG 63 CO -0.00 -1.13 0.61 -1.25 0.00 0.00 0.00 175.30 173.53 2khr s PRO 64 N -0.24 3.99 -0.82 5.12 0.04 -1.26 -4.98 135.00 136.84 2khr s PRO 64 Ca 0.17 0.54 -0.25 0.00 0.04 0.00 0.00 61.00 61.50 2khr s PRO 64 Cb -0.24 -2.77 -0.07 0.00 0.04 0.00 0.00 34.50 31.46 2khr s PRO 64 CO -0.01 0.37 2.10 0.21 0.04 0.00 0.00 177.00 179.71 2khr s LYS 65 N -2.34 2.25 -0.05 4.56 2.20 -1.26 -4.92 119.74 120.19 2khr s LYS 65 Ca 0.44 0.10 -0.27 0.00 -0.36 0.00 0.00 55.97 55.88 2khr s LYS 65 Cb -0.14 -4.90 -0.03 0.00 -1.51 0.00 0.00 37.83 31.26 2khr s LYS 65 CO 0.20 -3.64 0.86 -1.12 -0.36 0.00 0.00 175.35 171.29 2khr s SER 66 N 9.09 7.18 -0.19 1.43 0.01 -1.26 -4.93 113.70 125.03 2khr s SER 66 Ca 0.78 1.43 -0.06 0.00 1.31 0.00 0.00 55.95 59.41 2khr s SER 66 Cb -0.10 -2.50 -0.19 0.00 0.21 0.00 0.00 66.02 63.45 2khr s SER 66 CO 0.05 -0.23 3.41 0.18 0.41 0.00 0.00 173.24 177.06 2khr n LEU 67 N 4.06 5.70 -4.32 2.44 4.77 -1.26 -4.79 117.00 123.59 2khr n LEU 67 Ca 0.03 -3.44 -0.43 0.00 -0.03 0.00 0.00 56.01 52.14 2khr n LEU 67 Cb 0.51 -1.39 0.00 0.00 -2.33 0.00 0.00 43.42 40.21 2khr n LEU 67 CO 0.50 1.73 1.91 -1.14 -1.33 0.00 0.00 177.39 179.06 2khr n ARG 68 N 2.22 3.25 -2.07 3.23 3.00 -1.26 -4.63 116.66 120.40 2khr n ARG 68 Ca 0.46 -3.38 -0.00 0.00 -0.00 0.00 0.00 57.85 54.93 2khr n ARG 68 Cb 0.80 -3.25 -0.00 0.00 0.00 0.00 0.00 32.46 30.01 2khr n ARG 68 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 2khr n ASP 69 N 6.59 -7.90 -4.00 6.15 8.00 -1.26 -4.72 116.55 119.42 2khr n ASP 69 Ca 0.45 1.47 -0.39 0.00 0.71 0.00 0.00 54.79 57.03 2khr n ASP 69 Cb 0.43 -4.33 -0.05 0.00 -0.02 0.00 0.00 41.12 37.15 2khr n ASP 69 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2khr n ALA 70 N 1.44 3.10 0.10 2.24 0.00 -1.26 -4.55 120.51 121.58 2khr n ALA 70 Ca -0.00 -3.32 -0.02 0.00 0.00 0.00 0.00 53.44 50.09 2khr n ALA 70 Cb 0.01 -3.58 0.22 0.00 0.00 0.00 0.00 19.45 16.09 2khr n ALA 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2khr h MET 71 N 8.22 0.20 -5.26 0.00 -0.00 -1.99 -3.40 114.93 112.71 2khr h MET 71 Ca 0.38 -0.10 -0.60 0.00 -0.00 0.00 0.00 59.70 59.37 2khr h MET 71 Cb 0.76 0.00 -0.13 0.00 -0.00 0.00 0.00 31.60 32.24 2khr h MET 71 CO 1.70 0.62 -0.50 0.54 -0.00 0.00 0.00 176.91 179.26 2khr s VAL 72 N -4.05 5.34 0.07 -0.10 0.11 -1.26 -5.07 120.40 115.43 2khr s VAL 72 Ca -0.04 0.17 -0.30 0.00 -2.93 0.00 0.00 61.98 58.88 2khr s VAL 72 Cb 0.13 -3.44 -0.05 0.00 -1.53 0.00 0.00 36.38 31.49 2khr s VAL 72 CO 0.77 0.44 1.00 -1.83 -3.33 0.00 0.00 175.10 172.15 2khr s GLU 73 N 0.41 4.61 0.00 1.54 -1.05 -1.26 -5.13 118.70 117.83 2khr s GLU 73 Ca 0.07 1.49 0.00 0.00 -0.15 0.00 0.00 54.97 56.38 2khr s GLU 73 Cb -0.11 -3.40 0.00 0.00 -0.44 0.00 0.00 34.13 30.18 2khr s GLU 73 CO -0.01 0.06 0.23 -3.47 0.95 0.00 0.00 175.26 173.01