#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kfy s MET 2 N 0.00 0.62 -0.13 0.03 -2.45 -1.26 -5.16 119.30 110.96 2kfy s MET 2 Ca 0.00 -0.26 -0.25 0.00 -1.25 0.00 0.00 55.69 53.93 2kfy s MET 2 Cb 0.00 0.27 0.06 0.00 1.25 0.00 0.00 34.83 36.41 2kfy s MET 2 CO 0.00 -0.17 0.61 -1.17 1.05 0.00 0.00 175.02 175.34 2kfy s LEU 3 N -1.37 -0.35 0.00 4.11 2.96 -1.26 -4.14 118.68 118.63 2kfy s LEU 3 Ca -0.14 0.89 0.00 0.00 -0.22 0.00 0.00 54.13 54.66 2kfy s LEU 3 Cb -0.06 2.20 0.00 0.00 0.50 0.00 0.00 46.19 48.84 2kfy s LEU 3 CO 0.03 -0.41 0.00 0.61 -1.32 0.00 0.00 176.35 175.26 2kfy n GLY 4 N 1.79 -2.15 0.00 7.98 0.00 -0.73 -4.85 105.19 107.22 2kfy n GLY 4 Ca -0.17 -1.20 0.06 0.00 0.00 0.00 0.00 46.02 44.71 2kfy n GLY 4 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2kfy n PRO 5 N -0.54 0.73 -0.08 1.61 -0.04 -1.26 -3.07 135.00 132.35 2kfy n PRO 5 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 2kfy n PRO 5 Cb 0.00 -1.25 0.00 0.00 -0.04 0.00 0.00 33.50 32.21 2kfy n PRO 5 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2kfy n GLU 6 N -0.75 0.00 -3.70 0.54 2.13 -1.26 -5.12 120.64 112.48 2kfy n GLU 6 Ca 0.09 -0.50 -0.05 0.00 0.66 0.00 0.00 57.16 57.35 2kfy n GLU 6 Cb 0.04 -0.43 -0.02 0.00 0.27 0.00 0.00 31.44 31.30 2kfy n GLU 6 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 2kfy s GLY 7 N -0.14 -0.28 0.00 8.31 0.00 -1.17 -5.12 107.32 108.91 2kfy s GLY 7 Ca 0.00 0.28 0.00 0.00 0.00 0.00 0.00 44.72 45.00 2kfy s GLY 7 CO 0.00 0.07 0.00 0.61 0.00 0.00 0.00 173.10 173.78 2kfy n GLY 8 N -0.42 -1.70 0.12 0.20 0.00 -1.26 -1.78 105.19 100.35 2kfy n GLY 8 Ca -0.07 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 44.85 2kfy n GLY 8 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2kfy n GLU 9 N -0.28 0.00 -3.51 1.61 1.02 -1.26 -4.91 120.64 113.31 2kfy n GLU 9 Ca 0.00 -0.60 -0.09 0.00 -0.02 0.00 0.00 57.16 56.45 2kfy n GLU 9 Cb 0.00 -0.48 -0.02 0.00 -0.02 0.00 0.00 31.44 30.92 2kfy n GLU 9 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2kfy s GLY 10 N -0.24 -0.45 -1.00 0.62 0.00 -1.26 -4.87 107.32 100.12 2kfy s GLY 10 Ca 0.00 1.12 -0.02 0.00 0.00 0.00 0.00 44.72 45.81 2kfy s GLY 10 CO 0.00 0.42 2.03 0.69 0.00 0.00 0.00 173.10 176.25 2kfy n PHE 11 N -0.11 2.70 -4.23 1.90 3.72 -1.26 -4.68 117.46 115.50 2kfy n PHE 11 Ca -0.09 -2.50 -0.18 0.00 -0.05 0.00 0.00 57.45 54.62 2kfy n PHE 11 Cb 0.61 -1.32 -0.11 0.00 -0.94 0.00 0.00 39.48 37.72 2kfy n PHE 11 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 2kfy s VAL 12 N -3.83 1.30 0.06 -4.37 1.01 -1.26 -1.16 120.40 112.15 2kfy s VAL 12 Ca 0.46 -1.63 0.01 0.00 0.00 0.00 0.00 61.98 60.82 2kfy s VAL 12 Cb 0.26 -1.45 -0.03 0.00 0.00 0.00 0.00 36.38 35.16 2kfy s VAL 12 CO -0.20 -0.37 -0.06 0.68 0.00 0.00 0.00 175.10 175.15 2kfy s VAL 13 N -1.94 0.51 0.51 2.92 -7.23 -0.78 -1.21 120.40 113.19 2kfy s VAL 13 Ca 0.07 -1.42 -0.07 0.00 -1.81 0.00 0.00 61.98 58.75 2kfy s VAL 13 Cb -0.06 -1.01 -0.04 0.00 0.56 0.00 0.00 36.38 35.83 2kfy s VAL 13 CO 0.03 -0.62 0.84 -0.54 -0.31 0.00 0.00 175.10 174.50 2kfy s LYS 14 N -2.54 3.57 -0.05 4.82 1.02 0.11 -0.65 119.74 126.03 2kfy s LYS 14 Ca -0.02 0.35 -0.02 0.00 0.02 0.00 0.00 55.97 56.30 2kfy s LYS 14 Cb -0.03 -2.30 0.03 0.00 -0.52 0.00 0.00 37.83 35.00 2kfy s LYS 14 CO -0.02 -0.28 0.10 -1.17 -0.92 0.00 0.00 175.35 173.05 2kfy s LEU 15 N -4.80 1.03 0.26 3.17 1.98 0.05 -2.80 118.68 117.57 2kfy s LEU 15 Ca 0.49 0.21 -0.05 0.00 -2.89 0.00 0.00 54.13 51.90 2kfy s LEU 15 Cb -0.10 0.24 -0.02 0.00 0.66 0.00 0.00 46.19 46.97 2kfy s LEU 15 CO 0.46 -0.12 0.33 -0.13 -1.89 0.00 0.00 176.35 175.01 2kfy s ARG 16 N 0.88 1.51 0.00 1.98 0.52 -0.72 -0.32 118.95 122.80 2kfy s ARG 16 Ca -0.07 -1.56 0.00 0.00 -0.52 0.00 0.00 55.73 53.58 2kfy s ARG 16 Cb -0.09 0.38 0.00 0.00 0.52 0.00 0.00 34.95 35.76 2kfy s ARG 16 CO -0.04 -0.58 0.00 0.41 0.02 0.00 0.00 175.30 175.11 2kfy n GLY 17 N -0.40 0.68 0.74 -3.53 0.00 -1.25 -1.08 105.19 100.36 2kfy n GLY 17 Ca 0.01 -1.41 0.09 0.00 0.00 0.00 0.00 46.02 44.72 2kfy n GLY 17 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2kfy n LEU 18 N 0.00 -0.49 0.22 0.99 4.77 -1.22 -4.57 117.00 116.71 2kfy n LEU 18 Ca 0.00 1.12 0.12 0.00 -0.03 0.00 0.00 56.01 57.22 2kfy n LEU 18 Cb 0.00 -2.03 0.30 0.00 -2.33 0.00 0.00 43.42 39.36 2kfy n LEU 18 CO 0.00 -1.35 0.80 1.55 -1.33 0.00 0.00 177.39 177.07 2kfy h PRO 19 N -0.72 0.00 0.00 3.23 0.13 -1.92 -3.44 132.00 129.28 2kfy h PRO 19 Ca -0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 2kfy h PRO 19 Cb 0.70 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.83 2kfy h PRO 19 CO 0.03 0.09 0.00 0.91 -0.23 0.00 0.00 178.00 178.81 2kfy n TRP 20 N -3.15 0.00 -3.94 1.56 5.03 -1.26 -5.14 117.44 110.54 2kfy n TRP 20 Ca 0.03 0.00 -0.08 0.00 3.03 0.00 0.00 57.50 60.47 2kfy n TRP 20 Cb 0.50 0.00 -0.04 0.00 -1.03 0.00 0.00 31.31 30.74 2kfy n TRP 20 CO 0.00 0.00 0.00 -1.54 -0.03 0.00 0.00 177.69 176.12 2kfy s SER 21 N 0.00 -0.16 0.20 -0.99 1.04 -1.25 -2.97 113.70 109.57 2kfy s SER 21 Ca 0.00 -0.80 -0.09 0.00 0.48 0.00 0.00 55.95 55.55 2kfy s SER 21 Cb 0.00 0.64 0.03 0.00 0.10 0.00 0.00 66.02 66.79 2kfy s SER 21 CO 0.00 -1.22 0.45 0.00 0.98 0.00 0.00 173.24 173.45 2kfy s SER 23 N -2.15 0.48 0.57 0.00 0.01 -1.26 -4.90 113.70 106.44 2kfy s SER 23 Ca 0.09 -1.13 0.35 0.00 1.31 0.00 0.00 55.95 56.57 2kfy s SER 23 Cb -0.03 0.24 1.61 0.00 0.21 0.00 0.00 66.02 68.06 2kfy s SER 23 CO 0.06 -0.66 2.08 -0.37 0.41 0.00 0.00 173.24 174.75 2kfy h VAL 24 N 2.94 0.08 0.00 3.43 -1.51 -1.98 -2.76 116.25 116.44 2kfy h VAL 24 Ca -0.35 -0.43 -0.18 0.00 -1.23 0.00 0.00 66.70 64.51 2kfy h VAL 24 Cb 1.18 1.39 -0.03 0.00 -2.13 0.00 0.00 31.29 31.70 2kfy h VAL 24 CO 0.62 0.02 -1.10 -0.33 -1.23 0.00 0.00 177.57 175.55 2kfy h GLU 25 N 0.00 0.00 0.12 5.19 5.08 -1.99 -3.07 114.58 119.92 2kfy h GLU 25 Ca -0.00 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.09 2kfy h GLU 25 Cb 0.39 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.64 2kfy h GLU 25 CO 0.00 0.55 -1.23 -0.44 -1.00 0.00 0.00 179.01 176.90 2kfy h ASP 26 N 0.00 0.44 -0.30 1.42 3.32 -1.92 -2.47 116.42 116.90 2kfy h ASP 26 Ca -0.10 -0.46 -0.07 0.00 0.02 0.00 0.00 57.03 56.42 2kfy h ASP 26 Cb 1.64 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 41.04 2kfy h ASP 26 CO 0.08 1.35 -0.07 1.62 -1.72 0.00 0.00 179.24 180.50 2kfy h VAL 27 N 0.08 1.28 0.00 -1.35 3.04 -1.63 -2.48 116.25 115.19 2kfy h VAL 27 Ca -0.13 -1.10 0.00 0.00 -1.01 0.00 0.00 66.70 64.46 2kfy h VAL 27 Cb 1.95 1.38 0.00 0.00 -2.01 0.00 0.00 31.29 32.61 2kfy h VAL 27 CO 0.20 0.35 0.00 0.06 -1.01 0.00 0.00 177.57 177.18 2kfy h GLN 28 N 0.35 0.00 0.00 4.17 3.07 -1.62 -2.42 115.11 118.66 2kfy h GLN 28 Ca 0.08 0.00 -0.10 0.00 0.09 0.00 0.00 58.65 58.72 2kfy h GLN 28 Cb 0.55 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.10 2kfy h GLN 28 CO 0.03 0.00 -0.48 -0.97 0.09 0.00 0.00 178.83 177.50 2kfy h ASN 29 N 0.00 0.00 0.49 0.06 -1.24 -1.18 -3.29 115.58 110.42 2kfy h ASN 29 Ca 0.00 0.00 -0.30 0.00 0.71 0.00 0.00 56.30 56.71 2kfy h ASN 29 Cb 0.62 0.00 0.02 0.00 0.73 0.00 0.00 38.32 39.69 2kfy h ASN 29 CO 0.00 0.48 -1.34 0.15 -1.29 0.00 0.00 177.43 175.43 2kfy h PHE 30 N 0.00 0.67 -4.11 0.67 3.57 -0.98 -3.45 116.94 113.31 2kfy h PHE 30 Ca -0.00 -0.49 -0.45 0.00 3.53 0.00 0.00 57.97 60.55 2kfy h PHE 30 Cb 0.96 -0.03 0.14 0.00 2.79 0.00 0.00 35.95 39.82 2kfy h PHE 30 CO 0.00 1.39 0.40 -0.51 -2.23 0.00 0.00 178.31 177.36 2kfy s LEU 31 N -7.31 2.67 0.09 0.59 2.01 -1.14 -5.09 118.68 110.50 2kfy s LEU 31 Ca -0.06 0.39 -0.17 0.00 0.01 0.00 0.00 54.13 54.30 2kfy s LEU 31 Cb 0.06 -2.58 0.04 0.00 0.01 0.00 0.00 46.19 43.71 2kfy s LEU 31 CO 0.91 -2.44 0.42 -0.55 1.01 0.00 0.00 176.35 175.69 2kfy s SER 32 N -4.79 -0.27 0.00 2.29 0.15 -1.26 -4.88 113.70 104.93 2kfy s SER 32 Ca 0.70 -0.17 0.00 0.00 0.70 0.00 0.00 55.95 57.18 2kfy s SER 32 Cb -0.06 0.46 0.00 0.00 -1.71 0.00 0.00 66.02 64.71 2kfy s SER 32 CO 0.51 -0.78 0.00 0.47 1.20 0.00 0.00 173.24 174.64 2kfy n ASP 33 N 0.06 -2.85 -3.95 5.45 8.00 -1.26 -4.79 116.55 117.20 2kfy n ASP 33 Ca -0.17 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.03 2kfy n ASP 33 Cb 0.62 -2.18 0.21 0.00 -0.02 0.00 0.00 41.12 39.75 2kfy n ASP 33 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kfy n THR 35 N -3.94 0.00 -1.71 0.00 5.66 -1.26 -5.02 114.28 108.02 2kfy n THR 35 Ca 0.16 0.00 -0.04 0.00 -3.05 0.00 0.00 64.05 61.12 2kfy n THR 35 Cb 0.59 1.35 -0.01 0.00 -1.55 0.00 0.00 70.33 70.71 2kfy n THR 35 CO 0.00 0.00 0.00 -0.38 -3.05 0.00 0.00 175.07 171.64 2kfy n ILE 36 N 0.00 -0.08 0.00 1.09 2.08 -1.25 -3.16 119.36 118.04 2kfy n ILE 36 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 2kfy n ILE 36 Cb 0.40 -0.46 0.00 0.00 -0.75 0.00 0.00 39.64 38.82 2kfy n ILE 36 CO 0.00 0.00 0.00 1.57 0.56 0.00 0.00 176.55 178.68 2kfy n HIS 37 N -1.92 0.00 -1.39 1.39 -0.00 -1.11 -2.65 115.22 109.54 2kfy n HIS 37 Ca -0.04 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.14 2kfy n HIS 37 Cb 0.31 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.18 2kfy n HIS 37 CO 0.00 0.00 0.00 -0.25 0.46 0.00 0.00 176.34 176.55 2kfy n ASP 38 N 0.27 0.00 0.00 0.26 8.00 -1.19 -4.85 116.55 119.04 2kfy n ASP 38 Ca 0.00 -0.76 0.00 0.00 0.71 0.00 0.00 54.79 54.74 2kfy n ASP 38 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 2kfy n ASP 38 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2kfy n GLY 39 N 0.00 0.96 0.00 0.44 0.00 -1.08 -4.28 105.19 101.22 2kfy n GLY 39 Ca 0.00 -1.59 0.00 0.00 0.00 0.00 0.00 46.02 44.43 2kfy n GLY 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kfy n ALA 40 N 1.00 1.51 -0.74 4.61 0.00 -1.26 -1.55 120.51 124.08 2kfy n ALA 40 Ca 0.00 -0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.52 2kfy n ALA 40 Cb 0.00 -1.00 0.31 0.00 0.00 0.00 0.00 19.45 18.76 2kfy n ALA 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kfy n ALA 41 N -0.99 3.11 -0.73 0.00 0.00 -1.26 -4.28 120.51 116.35 2kfy n ALA 41 Ca 0.00 -1.83 0.00 0.00 0.00 0.00 0.00 53.44 51.61 2kfy n ALA 41 Cb 0.00 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 18.59 2kfy n ALA 41 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kfy n GLY 42 N 0.42 -0.24 3.82 0.00 0.00 -0.60 -4.66 105.19 103.93 2kfy n GLY 42 Ca 0.23 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.93 2kfy n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kfy s VAL 43 N -0.09 4.00 0.14 1.61 0.11 -1.25 -2.77 120.40 122.15 2kfy s VAL 43 Ca 0.00 0.76 -0.13 0.00 -2.93 0.00 0.00 61.98 59.68 2kfy s VAL 43 Cb 0.00 -3.42 0.01 0.00 -1.53 0.00 0.00 36.38 31.44 2kfy s VAL 43 CO 0.00 -0.74 0.34 -1.00 -3.33 0.00 0.00 175.10 170.37 2kfy s HIS 44 N -2.83 0.06 0.28 1.54 3.76 -1.01 -4.97 115.29 112.10 2kfy s HIS 44 Ca 0.60 -0.42 -0.04 0.00 -0.15 0.00 0.00 55.06 55.05 2kfy s HIS 44 Cb -0.14 0.12 -0.02 0.00 1.11 0.00 0.00 32.58 33.65 2kfy s HIS 44 CO 0.48 -0.70 0.35 -0.06 -0.85 0.00 0.00 174.74 173.96 2kfy s PHE 45 N -3.87 0.99 0.01 1.40 0.08 -1.26 -2.95 117.98 112.38 2kfy s PHE 45 Ca 0.08 -1.21 0.02 0.00 0.12 0.00 0.00 56.93 55.94 2kfy s PHE 45 Cb 0.02 -0.23 -0.01 0.00 -0.57 0.00 0.00 43.02 42.24 2kfy s PHE 45 CO -0.07 -0.92 -0.06 0.42 -0.10 0.00 0.00 175.22 174.48 2kfy s ILE 46 N -3.67 0.48 0.31 0.64 1.01 -0.70 -4.79 121.20 114.47 2kfy s ILE 46 Ca 0.32 -0.52 -0.18 0.00 0.00 0.00 0.00 60.65 60.27 2kfy s ILE 46 Cb 0.02 -0.45 0.07 0.00 0.01 0.00 0.00 42.46 42.10 2kfy s ILE 46 CO 0.16 -0.04 0.90 -0.72 0.00 0.00 0.00 174.94 175.24 2kfy s TYR 47 N -0.54 0.12 0.00 3.97 1.13 -1.26 -2.88 117.35 117.89 2kfy s TYR 47 Ca -0.02 -0.70 0.00 0.00 -1.41 0.00 0.00 57.07 54.95 2kfy s TYR 47 Cb -0.05 0.79 0.00 0.00 -1.10 0.00 0.00 41.96 41.60 2kfy s TYR 47 CO 0.00 -1.31 0.00 -2.37 -2.51 0.00 0.00 175.55 169.36 2kfy n THR 48 N -0.62 0.00 -3.77 -3.49 5.66 -1.26 -4.59 114.28 106.20 2kfy n THR 48 Ca -0.06 0.00 -0.01 0.00 -3.05 0.00 0.00 64.05 60.93 2kfy n THR 48 Cb 0.60 0.00 0.01 0.00 -1.55 0.00 0.00 70.33 69.39 2kfy n THR 48 CO 0.00 0.00 0.00 -2.11 -3.05 0.00 0.00 175.07 169.91 2kfy n ARG 49 N -0.82 0.28 -0.77 1.09 -4.01 -1.26 -5.04 116.66 106.12 2kfy n ARG 49 Ca 0.00 -0.70 -0.27 0.00 -1.04 0.00 0.00 57.85 55.84 2kfy n ARG 49 Cb 0.00 0.99 -0.03 0.00 -3.04 0.00 0.00 32.46 30.38 2kfy n ARG 49 CO 0.00 0.00 0.00 -1.91 -3.04 0.00 0.00 177.63 172.68 2kfy n GLU 50 N -0.44 1.61 0.00 2.89 4.07 -1.26 -3.36 120.64 124.14 2kfy n GLU 50 Ca 0.00 -1.45 0.00 0.00 -0.06 0.00 0.00 57.16 55.65 2kfy n GLU 50 Cb 0.33 -2.54 0.00 0.00 -0.06 0.00 0.00 31.44 29.16 2kfy n GLU 50 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2kfy n GLY 51 N 4.06 0.00 3.39 8.31 0.00 -1.26 -5.13 105.19 114.57 2kfy n GLY 51 Ca 0.41 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.31 2kfy n GLY 51 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2kfy s ARG 52 N -0.83 1.16 -0.22 1.61 1.70 -1.21 -5.14 118.95 116.02 2kfy s ARG 52 Ca 0.00 -0.42 -0.18 0.00 -0.47 0.00 0.00 55.73 54.66 2kfy s ARG 52 Cb 0.00 0.53 0.06 0.00 -0.57 0.00 0.00 34.95 34.97 2kfy s ARG 52 CO 0.00 -0.47 0.57 -1.14 -1.08 0.00 0.00 175.30 173.18 2kfy s GLN 53 N -3.28 0.63 -0.42 3.89 2.00 -1.26 -4.43 119.66 116.79 2kfy s GLN 53 Ca -0.01 0.86 0.00 0.00 -2.00 0.00 0.00 55.36 54.21 2kfy s GLN 53 Cb -0.00 0.25 0.00 0.00 0.80 0.00 0.00 33.01 34.06 2kfy s GLN 53 CO -0.09 -0.10 0.00 -1.13 -0.50 0.00 0.00 175.29 173.47 2kfy n SER 54 N 3.21 -1.73 0.03 6.67 3.41 -1.14 -3.92 113.62 120.15 2kfy n SER 54 Ca -0.16 0.28 0.13 0.00 -0.26 0.00 0.00 58.87 58.86 2kfy n SER 54 Cb 0.56 -1.69 0.43 0.00 -0.26 0.00 0.00 64.21 63.25 2kfy n SER 54 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2kfy n GLY 55 N -0.40 -1.46 3.09 5.00 0.00 -1.16 -2.36 105.19 107.90 2kfy n GLY 55 Ca -0.05 -0.17 -0.08 0.00 0.00 0.00 0.00 46.02 45.72 2kfy n GLY 55 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kfy s GLU 56 N -3.04 0.58 0.27 1.61 2.02 -1.26 -3.77 118.70 115.11 2kfy s GLU 56 Ca 0.12 -1.01 -0.15 0.00 0.02 0.00 0.00 54.97 53.94 2kfy s GLU 56 Cb 0.17 0.21 0.06 0.00 0.10 0.00 0.00 34.13 34.67 2kfy s GLU 56 CO 0.61 -0.12 0.78 0.00 0.02 0.00 0.00 175.26 176.55 2kfy n ALA 57 N 0.46 -1.90 -2.12 5.21 0.00 0.56 -1.72 120.51 121.00 2kfy n ALA 57 Ca -0.17 -1.02 -0.08 0.00 0.00 0.00 0.00 53.44 52.17 2kfy n ALA 57 Cb 0.60 0.72 -0.10 0.00 0.00 0.00 0.00 19.45 20.67 2kfy n ALA 57 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2kfy s PHE 58 N -2.83 0.67 -0.18 0.00 0.08 -1.15 -0.77 117.98 113.80 2kfy s PHE 58 Ca 0.17 -1.09 -0.04 0.00 0.12 0.00 0.00 56.93 56.08 2kfy s PHE 58 Cb -0.04 -0.44 0.07 0.00 -0.57 0.00 0.00 43.02 42.05 2kfy s PHE 58 CO 0.08 -0.38 0.15 0.08 -0.10 0.00 0.00 175.22 175.05 2kfy s VAL 59 N -3.91 -0.20 0.57 -0.44 1.01 0.18 -2.42 120.40 115.20 2kfy s VAL 59 Ca 0.12 -0.11 -0.16 0.00 0.00 0.00 0.00 61.98 61.83 2kfy s VAL 59 Cb 0.07 -0.60 -0.05 0.00 0.00 0.00 0.00 36.38 35.81 2kfy s VAL 59 CO -0.06 -0.22 1.05 -1.61 0.00 0.00 0.00 175.10 174.25 2kfy s GLU 60 N 2.23 3.45 0.19 2.72 2.02 -1.11 -1.86 118.70 126.33 2kfy s GLU 60 Ca 0.04 1.20 0.02 0.00 0.02 0.00 0.00 54.97 56.26 2kfy s GLU 60 Cb -0.16 -2.05 -0.01 0.00 0.10 0.00 0.00 34.13 32.01 2kfy s GLU 60 CO -0.10 -0.70 0.08 1.28 0.02 0.00 0.00 175.26 175.83 2kfy n LEU 61 N -1.83 0.00 -0.05 1.80 4.77 -0.31 -2.74 117.00 118.65 2kfy n LEU 61 Ca 0.09 -1.48 0.01 0.00 -0.03 0.00 0.00 56.01 54.59 2kfy n LEU 61 Cb 0.53 0.53 -0.14 0.00 -2.33 0.00 0.00 43.42 42.01 2kfy n LEU 61 CO 0.46 -0.23 -0.89 0.61 -1.33 0.00 0.00 177.39 176.01 2kfy n GLY 62 N 0.68 -0.86 3.36 -0.72 0.00 -1.26 -4.12 105.19 102.27 2kfy n GLY 62 Ca -0.02 -0.37 -0.10 0.00 0.00 0.00 0.00 46.02 45.54 2kfy n GLY 62 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kfy s SER 63 N -4.64 0.02 0.51 1.61 0.01 -1.26 -5.03 113.70 104.91 2kfy s SER 63 Ca -0.08 -0.86 0.15 0.00 1.31 0.00 0.00 55.95 56.47 2kfy s SER 63 Cb 0.09 0.45 1.23 0.00 0.21 0.00 0.00 66.02 68.00 2kfy s SER 63 CO 0.75 -0.91 2.14 -0.08 0.41 0.00 0.00 173.24 175.54 2kfy h GLU 64 N 2.51 0.05 0.00 12.44 4.81 -1.95 -1.26 114.58 131.19 2kfy h GLU 64 Ca -0.31 -0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 58.84 2kfy h GLU 64 Cb 1.23 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.59 2kfy h GLU 64 CO 0.47 0.03 -0.37 0.22 -0.73 0.00 0.00 179.01 178.63 2kfy h ASP 65 N 0.05 0.00 -0.13 1.04 3.58 -1.99 -2.22 116.42 116.75 2kfy h ASP 65 Ca 0.02 0.00 -0.20 0.00 0.42 0.00 0.00 57.03 57.27 2kfy h ASP 65 Cb 0.01 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.07 2kfy h ASP 65 CO -0.00 0.37 -0.71 0.44 -2.88 0.00 0.00 179.24 176.46 2kfy h ASP 66 N 0.00 0.84 -0.52 2.28 3.32 -1.56 -2.09 116.42 118.69 2kfy h ASP 66 Ca -0.00 -0.64 -0.11 0.00 0.02 0.00 0.00 57.03 56.29 2kfy h ASP 66 Cb 0.68 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.97 2kfy h ASP 66 CO 0.05 1.35 -0.12 1.62 -1.72 0.00 0.00 179.24 180.42 2kfy h VAL 67 N 0.39 1.27 -0.55 -1.35 3.04 -1.38 -0.58 116.25 117.09 2kfy h VAL 67 Ca -0.05 -1.27 -0.01 0.00 -1.01 0.00 0.00 66.70 64.36 2kfy h VAL 67 Cb 1.35 1.01 -0.03 0.00 -2.01 0.00 0.00 31.29 31.61 2kfy h VAL 67 CO 0.15 0.45 0.30 0.11 -1.01 0.00 0.00 177.57 177.57 2kfy h LYS 68 N 0.87 0.77 -0.00 4.17 1.57 -1.42 -2.52 116.57 120.00 2kfy h LYS 68 Ca 0.13 -0.09 -0.07 0.00 -1.87 0.00 0.00 60.65 58.75 2kfy h LYS 68 Cb 0.68 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.83 2kfy h LYS 68 CO 0.05 0.59 -0.35 0.52 -0.57 0.00 0.00 179.45 179.69 2kfy h MET 69 N 0.74 0.01 0.00 3.15 2.86 -1.10 -2.73 114.93 117.85 2kfy h MET 69 Ca 0.19 -0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.72 2kfy h MET 69 Cb 0.04 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.69 2kfy h MET 69 CO -0.03 0.36 -0.54 0.00 1.06 0.00 0.00 176.91 177.75 2kfy h ALA 70 N 1.64 0.98 0.00 6.32 0.00 -0.75 -2.97 119.26 124.49 2kfy h ALA 70 Ca -0.00 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2kfy h ALA 70 Cb 0.63 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2kfy h ALA 70 CO 0.05 0.68 0.00 -0.07 0.00 0.00 0.00 179.25 179.90 2kfy h LEU 71 N 0.00 0.00 0.00 0.00 3.38 -1.15 -3.24 115.31 114.30 2kfy h LEU 71 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2kfy h LEU 71 Cb 1.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.79 2kfy h LEU 71 CO 0.07 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.89 2kfy n LYS 72 N -2.67 0.11 -1.20 1.13 4.76 -1.12 -2.58 118.16 116.59 2kfy n LYS 72 Ca 0.04 0.22 0.04 0.00 -2.87 0.00 0.00 58.31 55.74 2kfy n LYS 72 Cb 0.43 -1.50 0.06 0.00 -1.84 0.00 0.00 35.03 32.18 2kfy n LYS 72 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39 2kfy n LYS 73 N -1.31 0.35 0.06 1.97 0.00 -1.22 -4.94 118.16 113.08 2kfy n LYS 73 Ca 0.04 -2.19 0.01 0.00 -0.00 0.00 0.00 58.31 56.17 2kfy n LYS 73 Cb 0.07 -0.41 0.05 0.00 -0.00 0.00 0.00 35.03 34.75 2kfy n LYS 73 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 2kfy n ASP 74 N 0.08 0.05 -0.66 -5.58 5.75 -1.07 -1.58 116.55 113.55 2kfy n ASP 74 Ca 0.08 0.21 -0.00 0.00 -0.01 0.00 0.00 54.79 55.07 2kfy n ASP 74 Cb 1.01 -0.14 -0.00 0.00 -1.03 0.00 0.00 41.12 40.95 2kfy n ASP 74 CO 0.00 0.00 0.00 -1.14 -0.11 0.00 0.00 177.20 175.95 2kfy n ARG 75 N -1.40 0.00 0.00 0.11 0.63 -1.26 -1.52 116.66 113.22 2kfy n ARG 75 Ca -0.00 -0.74 0.00 0.00 -0.92 0.00 0.00 57.85 56.18 2kfy n ARG 75 Cb 0.46 -0.16 0.00 0.00 0.45 0.00 0.00 32.46 33.21 2kfy n ARG 75 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 2kfy n GLU 76 N 0.06 -0.68 -4.26 -0.14 -0.58 -0.61 -4.54 120.64 109.88 2kfy n GLU 76 Ca -0.02 0.00 -0.16 0.00 -0.42 0.00 0.00 57.16 56.56 2kfy n GLU 76 Cb 0.68 0.00 -0.09 0.00 -0.57 0.00 0.00 31.44 31.46 2kfy n GLU 76 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 2kfy s SER 77 N -1.52 1.03 -0.01 1.62 0.01 -1.26 -0.47 113.70 113.10 2kfy s SER 77 Ca 0.00 -1.56 0.10 0.00 1.31 0.00 0.00 55.95 55.80 2kfy s SER 77 Cb 0.00 0.44 -0.13 0.00 0.21 0.00 0.00 66.02 66.55 2kfy s SER 77 CO 0.00 -0.93 0.34 0.23 0.41 0.00 0.00 173.24 173.29 2kfy n MET 78 N -0.47 2.40 0.00 12.44 2.81 -0.87 -4.91 117.12 128.52 2kfy n MET 78 Ca 0.04 -0.04 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 2kfy n MET 78 Cb 0.64 -1.07 0.00 0.00 -0.71 0.00 0.00 33.22 32.08 2kfy n MET 78 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2kfy n GLY 79 N 1.51 1.10 0.00 3.03 0.00 -1.26 -4.92 105.19 104.65 2kfy n GLY 79 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2kfy n GLY 79 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2kfy n HIS 80 N 0.00 0.00 -3.69 1.61 -0.00 -1.26 -5.12 115.22 106.77 2kfy n HIS 80 Ca 0.00 0.00 -0.10 0.00 0.46 0.00 0.00 57.72 58.08 2kfy n HIS 80 Cb 0.00 0.05 -0.04 0.00 -0.12 0.00 0.00 29.99 29.88 2kfy n HIS 80 CO 0.00 0.00 0.00 0.50 0.46 0.00 0.00 176.34 177.30 2kfy s ARG 81 N 0.00 1.27 0.33 1.57 3.52 -1.26 -5.19 118.95 119.20 2kfy s ARG 81 Ca 0.00 -0.79 0.10 0.00 -0.13 0.00 0.00 55.73 54.90 2kfy s ARG 81 Cb 0.00 0.51 -0.06 0.00 -1.56 0.00 0.00 34.95 33.84 2kfy s ARG 81 CO 0.00 -0.53 -0.06 1.52 -0.81 0.00 0.00 175.30 175.42 2kfy s TYR 82 N -3.85 2.46 0.22 5.12 1.13 -1.26 -2.05 117.35 119.13 2kfy s TYR 82 Ca 0.07 -0.44 0.03 0.00 -1.41 0.00 0.00 57.07 55.32 2kfy s TYR 82 Cb -0.00 -1.37 -0.05 0.00 -1.10 0.00 0.00 41.96 39.44 2kfy s TYR 82 CO -0.06 0.56 0.01 0.42 -2.51 0.00 0.00 175.55 173.96 2kfy s ILE 83 N -2.55 0.91 -0.00 -3.49 -1.09 0.38 -3.38 121.20 111.99 2kfy s ILE 83 Ca 0.33 -2.02 -0.05 0.00 -2.23 0.00 0.00 60.65 56.68 2kfy s ILE 83 Cb 0.00 -2.32 -0.00 0.00 -1.58 0.00 0.00 42.46 38.56 2kfy s ILE 83 CO 0.18 -0.33 0.09 -1.61 -1.23 0.00 0.00 174.94 172.03 2kfy s GLU 84 N -3.89 0.38 0.03 2.79 2.02 -0.24 -3.74 118.70 116.05 2kfy s GLU 84 Ca 0.28 -0.36 -0.03 0.00 0.02 0.00 0.00 54.97 54.88 2kfy s GLU 84 Cb 0.06 0.15 -0.02 0.00 0.10 0.00 0.00 34.13 34.42 2kfy s GLU 84 CO 0.08 -0.08 0.03 0.08 0.02 0.00 0.00 175.26 175.39 2kfy s VAL 85 N -1.16 0.14 0.20 2.63 1.01 -0.58 -1.76 120.40 120.87 2kfy s VAL 85 Ca -0.13 -1.13 -0.21 0.00 0.00 0.00 0.00 61.98 60.52 2kfy s VAL 85 Cb -0.07 -0.75 0.05 0.00 0.00 0.00 0.00 36.38 35.60 2kfy s VAL 85 CO 0.01 -0.62 0.60 0.12 0.00 0.00 0.00 175.10 175.20 2kfy s PHE 86 N -2.35 -0.33 0.54 5.22 5.36 -1.12 -4.66 117.98 120.63 2kfy s PHE 86 Ca -0.07 0.02 -0.16 0.00 -0.96 0.00 0.00 56.93 55.76 2kfy s PHE 86 Cb -0.03 0.54 -0.07 0.00 -0.34 0.00 0.00 43.02 43.12 2kfy s PHE 86 CO -0.04 -0.95 1.00 0.21 -1.46 0.00 0.00 175.22 173.98 2kfy s LYS 87 N -3.83 3.84 0.32 10.12 2.20 -1.26 0.09 119.74 131.22 2kfy s LYS 87 Ca 0.06 0.96 0.01 0.00 -0.36 0.00 0.00 55.97 56.63 2kfy s LYS 87 Cb -0.02 -2.12 -0.01 0.00 -1.51 0.00 0.00 37.83 34.17 2kfy s LYS 87 CO -0.06 -0.36 0.37 0.45 -0.36 0.00 0.00 175.35 175.39 2kfy s SER 88 N -3.18 1.08 0.00 1.43 0.15 -0.35 -4.49 113.70 108.35 2kfy s SER 88 Ca 0.59 -1.56 0.00 0.00 0.70 0.00 0.00 55.95 55.68 2kfy s SER 88 Cb -0.11 0.59 0.00 0.00 -1.71 0.00 0.00 66.02 64.80 2kfy s SER 88 CO 0.35 -1.16 0.43 0.00 1.20 0.00 0.00 173.24 174.05 2kfy n HIS 89 N -0.55 0.00 0.00 3.44 1.44 -1.26 -4.21 115.22 114.08 2kfy n HIS 89 Ca 0.03 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.74 2kfy n HIS 89 Cb 0.62 0.12 0.00 0.00 0.12 0.00 0.00 29.99 30.85 2kfy n HIS 89 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 2kfy n ARG 90 N 0.00 0.00 -0.22 -1.40 1.74 -1.26 -4.47 116.66 111.05 2kfy n ARG 90 Ca 0.00 0.00 -0.06 0.00 -0.77 0.00 0.00 57.85 57.02 2kfy n ARG 90 Cb 0.54 -0.35 0.08 0.00 -1.02 0.00 0.00 32.46 31.70 2kfy n ARG 90 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 2kfy h THR 91 N 0.00 1.26 -0.33 0.55 2.02 -1.96 -0.84 112.91 113.60 2kfy h THR 91 Ca 0.00 -0.97 -0.10 0.00 0.77 0.00 0.00 66.41 66.11 2kfy h THR 91 Cb 0.00 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 66.99 2kfy h THR 91 CO 0.00 0.37 -0.19 -0.08 0.37 0.00 0.00 175.52 175.99 2kfy h GLU 92 N 1.01 0.72 -0.75 6.66 4.81 -2.00 -3.23 114.58 121.80 2kfy h GLU 92 Ca 0.21 -0.33 0.02 0.00 -0.13 0.00 0.00 59.36 59.13 2kfy h GLU 92 Cb 0.38 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.71 2kfy h GLU 92 CO 0.00 0.93 0.49 1.98 -0.73 0.00 0.00 179.01 181.68 2kfy h MET 93 N 0.49 0.95 -0.00 1.92 4.05 -1.80 -2.13 114.93 118.40 2kfy h MET 93 Ca 0.07 -0.06 -0.04 0.00 -0.28 0.00 0.00 59.70 59.39 2kfy h MET 93 Cb 0.73 -0.21 -0.01 0.00 -0.80 0.00 0.00 31.60 31.31 2kfy h MET 93 CO 0.05 0.63 -0.19 0.22 0.23 0.00 0.00 176.91 177.85 2kfy h ASP 94 N 0.98 0.01 1.50 1.39 3.58 -1.21 -0.74 116.42 121.92 2kfy h ASP 94 Ca 0.28 -0.00 -0.05 0.00 0.42 0.00 0.00 57.03 57.68 2kfy h ASP 94 Cb -0.07 -0.00 -0.01 0.00 1.72 0.00 0.00 39.33 40.97 2kfy h ASP 94 CO -0.08 0.20 -0.51 -0.25 -2.88 0.00 0.00 179.24 175.72 2kfy h TRP 95 N 0.01 0.00 0.00 0.28 7.01 -1.41 -3.36 115.95 118.48 2kfy h TRP 95 Ca -0.00 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.00 2kfy h TRP 95 Cb 0.35 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.41 2kfy h TRP 95 CO 0.00 0.21 -0.55 1.55 -2.79 0.00 0.00 178.44 176.86 2kfy n VAL 96 N -3.02 0.00 0.61 2.65 3.14 -1.02 -3.94 118.33 116.76 2kfy n VAL 96 Ca 0.01 -0.26 0.07 0.00 -2.96 0.00 0.00 64.34 61.19 2kfy n VAL 96 Cb 0.63 0.94 0.33 0.00 -1.06 0.00 0.00 33.84 34.68 2kfy n VAL 96 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 2kfy n LEU 97 N -1.28 0.00 0.00 6.55 7.99 -0.31 -3.16 117.00 126.79 2kfy n LEU 97 Ca 0.02 0.32 0.00 0.00 -0.01 0.00 0.00 56.01 56.34 2kfy n LEU 97 Cb 0.16 -0.32 0.00 0.00 -0.11 0.00 0.00 43.42 43.15 2kfy n LEU 97 CO 0.20 -0.18 0.15 0.29 -1.51 0.00 0.00 177.39 176.34 2kfy n LYS 98 N -1.32 0.12 -3.48 3.23 5.02 -1.26 -4.91 118.16 115.56 2kfy n LYS 98 Ca 0.06 -0.34 -0.15 0.00 -2.02 0.00 0.00 58.31 55.86 2kfy n LYS 98 Cb 0.12 -0.59 -0.04 0.00 -0.02 0.00 0.00 35.03 34.50 2kfy n LYS 98 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 2kfy s HIS 99 N -0.07 -0.59 0.24 2.13 5.04 -1.19 -5.06 115.29 115.79 2kfy s HIS 99 Ca 0.00 0.75 -0.22 0.00 -1.54 0.00 0.00 55.06 54.05 2kfy s HIS 99 Cb 0.00 0.48 0.03 0.00 0.04 0.00 0.00 32.58 33.13 2kfy s HIS 99 CO 0.00 -0.70 0.78 -1.54 -2.34 0.00 0.00 174.74 170.94 2kfy s SER 100 N -1.87 -0.25 -0.31 9.88 1.04 -1.26 -4.29 113.70 116.64 2kfy s SER 100 Ca -0.05 -0.53 0.05 0.00 0.48 0.00 0.00 55.95 55.90 2kfy s SER 100 Cb -0.00 0.66 0.18 0.00 0.10 0.00 0.00 66.02 66.96 2kfy s SER 100 CO -0.00 -1.21 1.13 0.61 0.98 0.00 0.00 173.24 174.75 2kfy n GLY 101 N -0.46 0.12 0.00 7.32 0.00 -1.26 -5.06 105.19 105.85 2kfy n GLY 101 Ca -0.05 -0.06 0.06 0.00 0.00 0.00 0.00 46.02 45.96 2kfy n GLY 101 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77