#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kfy n MET 2 N 0.00 -1.60 0.00 0.03 2.81 -1.26 -4.38 117.12 112.72 2kfy n MET 2 Ca 0.00 0.63 0.00 0.00 -1.81 0.00 0.00 57.70 56.52 2kfy n MET 2 Cb 0.00 -4.72 0.00 0.00 -0.71 0.00 0.00 33.22 27.79 2kfy n MET 2 CO 0.00 0.00 0.00 -0.11 1.51 0.00 0.00 175.97 177.37 2kfy n LEU 3 N -1.13 0.00 0.00 4.03 7.94 -1.26 -5.16 117.00 121.42 2kfy n LEU 3 Ca -0.08 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.82 2kfy n LEU 3 Cb 0.41 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.36 2kfy n LEU 3 CO 0.13 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 177.02 2kfy n GLY 4 N 0.00 -0.02 3.77 -3.96 0.00 -1.26 -5.17 105.19 98.55 2kfy n GLY 4 Ca 0.00 -1.12 -0.29 0.00 0.00 0.00 0.00 46.02 44.61 2kfy n GLY 4 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2kfy s PRO 5 N -2.00 0.81 0.00 1.61 0.04 -1.26 -4.03 135.00 130.17 2kfy s PRO 5 Ca 0.00 0.21 0.00 0.00 0.04 0.00 0.00 61.00 61.25 2kfy s PRO 5 Cb 0.00 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.73 2kfy s PRO 5 CO 0.00 -2.41 0.46 0.39 0.04 0.00 0.00 177.00 175.48 2kfy n GLU 6 N -3.89 0.00 -3.91 4.56 1.02 -1.26 -4.89 120.64 112.26 2kfy n GLU 6 Ca 0.08 -0.46 0.02 0.00 -0.02 0.00 0.00 57.16 56.78 2kfy n GLU 6 Cb 0.59 -0.45 0.01 0.00 -0.02 0.00 0.00 31.44 31.57 2kfy n GLU 6 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2kfy s GLY 7 N -0.01 -0.16 0.00 0.62 0.00 -1.26 -4.95 107.32 101.56 2kfy s GLY 7 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 44.72 44.85 2kfy s GLY 7 CO 0.00 4.30 0.00 0.61 0.00 0.00 0.00 173.10 178.01 2kfy n GLY 8 N -0.81 0.92 0.50 0.20 0.00 -1.19 -4.96 105.19 99.85 2kfy n GLY 8 Ca 0.01 -0.57 0.06 0.00 0.00 0.00 0.00 46.02 45.52 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 -1.39 0.84 -4.21 1.61 1.02 -1.07 -4.83 120.64 112.60 2kfy n GLU 9 Ca 0.00 -2.26 -0.13 0.00 -0.02 0.00 0.00 57.16 54.75 2kfy n GLU 9 Cb 0.23 -1.06 -0.09 0.00 -0.02 0.00 0.00 31.44 30.50 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 -2.36 1.61 -0.33 0.62 0.00 -1.02 -4.94 107.32 100.90 2kfy s GLY 10 Ca 0.26 -1.76 -0.03 0.00 0.00 0.00 0.00 44.72 43.19 2kfy s GLY 10 CO -0.03 -1.40 2.51 0.69 0.00 0.00 0.00 173.10 174.87 2kfy n PHE 11 N -0.35 1.35 -4.18 1.90 3.72 -1.26 -4.63 117.46 114.01 2kfy n PHE 11 Ca 0.03 -1.87 -0.18 0.00 -0.05 0.00 0.00 57.45 55.37 2kfy n PHE 11 Cb 0.65 -1.19 -0.12 0.00 -0.94 0.00 0.00 39.48 37.88 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 -1.86 1.13 0.06 -4.37 1.01 -1.26 -1.69 120.40 113.42 2kfy s VAL 12 Ca 0.46 -1.34 0.01 0.00 0.00 0.00 0.00 61.98 61.10 2kfy s VAL 12 Cb 0.30 -1.11 -0.03 0.00 0.00 0.00 0.00 36.38 35.54 2kfy s VAL 12 CO -0.10 -0.24 -0.05 0.68 0.00 0.00 0.00 175.10 175.39 2kfy s VAL 13 N -1.34 0.41 0.46 2.92 -7.23 -0.67 -1.28 120.40 113.66 2kfy s VAL 13 Ca -0.01 -1.57 -0.06 0.00 -1.81 0.00 0.00 61.98 58.52 2kfy s VAL 13 Cb -0.10 -1.20 -0.04 0.00 0.56 0.00 0.00 36.38 35.60 2kfy s VAL 13 CO 0.02 -0.77 0.77 -0.54 -0.31 0.00 0.00 175.10 174.28 2kfy s LYS 14 N -3.07 3.60 -0.02 4.82 1.02 0.86 -0.68 119.74 126.26 2kfy s LYS 14 Ca 0.02 0.25 -0.01 0.00 0.02 0.00 0.00 55.97 56.25 2kfy s LYS 14 Cb 0.01 -2.39 0.02 0.00 -0.52 0.00 0.00 37.83 34.95 2kfy s LYS 14 CO -0.05 -0.15 0.04 -1.17 -0.92 0.00 0.00 175.35 173.10 2kfy s LEU 15 N -4.49 1.37 -0.03 3.17 1.98 -0.30 -2.82 118.68 117.55 2kfy s LEU 15 Ca 0.48 0.07 -0.08 0.00 -2.89 0.00 0.00 54.13 51.71 2kfy s LEU 15 Cb -0.10 0.04 0.01 0.00 0.66 0.00 0.00 46.19 46.80 2kfy s LEU 15 CO 0.41 -0.08 0.18 -0.13 -1.89 0.00 0.00 176.35 174.84 2kfy s ARG 16 N 0.67 0.39 0.00 1.98 0.52 -1.09 -1.39 118.95 120.02 2kfy s ARG 16 Ca -0.05 -0.10 0.00 0.00 -0.52 0.00 0.00 55.73 55.06 2kfy s ARG 16 Cb -0.08 0.17 0.00 0.00 0.52 0.00 0.00 34.95 35.56 2kfy s ARG 16 CO -0.02 -0.08 0.00 0.41 0.02 0.00 0.00 175.30 175.62 2kfy n GLY 17 N 2.08 0.98 1.27 -3.53 0.00 -1.26 -1.11 105.19 103.61 2kfy n GLY 17 Ca -0.18 -1.95 0.16 0.00 0.00 0.00 0.00 46.02 44.04 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 -0.83 -3.21 0.99 4.77 -1.20 -4.39 117.00 113.12 2kfy n LEU 18 Ca 0.00 1.92 -0.00 0.00 -0.03 0.00 0.00 56.01 57.90 2kfy n LEU 18 Cb 0.00 -3.50 -0.00 0.00 -2.33 0.00 0.00 43.42 37.59 2kfy n LEU 18 CO 0.00 -2.32 0.58 -2.65 -1.33 0.00 0.00 177.39 171.67 2kfy n PRO 19 N -4.08 0.00 -0.89 3.23 -0.02 -1.26 -4.29 135.00 127.69 2kfy n PRO 19 Ca -0.06 -0.29 0.00 0.00 -2.02 0.00 0.00 63.50 61.13 2kfy n PRO 19 Cb 0.60 -1.58 0.00 0.00 -0.02 0.00 0.00 33.50 32.50 2kfy n PRO 19 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 2kfy n TRP 20 N 3.95 0.00 -3.47 6.00 7.02 -1.26 -4.88 117.44 124.80 2kfy n TRP 20 Ca 0.00 0.00 -0.12 0.00 -1.02 0.00 0.00 57.50 56.36 2kfy n TRP 20 Cb 0.00 -1.86 -0.03 0.00 -2.42 0.00 0.00 31.31 27.01 2kfy n TRP 20 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 2kfy s SER 21 N -1.86 -0.52 0.15 -0.99 1.04 -1.26 -2.97 113.70 107.29 2kfy s SER 21 Ca 0.00 0.03 -0.09 0.00 0.48 0.00 0.00 55.95 56.37 2kfy s SER 21 Cb 0.00 0.57 0.03 0.00 0.10 0.00 0.00 66.02 66.72 2kfy s SER 21 CO 0.00 -0.91 0.44 0.00 0.98 0.00 0.00 173.24 173.76 2kfy s SER 23 N -2.10 0.20 0.60 0.00 1.04 -1.26 -5.04 113.70 107.13 2kfy s SER 23 Ca 0.09 -1.22 0.38 0.00 0.48 0.00 0.00 55.95 55.68 2kfy s SER 23 Cb -0.02 0.36 1.80 0.00 0.10 0.00 0.00 66.02 68.26 2kfy s SER 23 CO 0.04 -0.81 2.15 -0.37 0.98 0.00 0.00 173.24 175.23 2kfy h VAL 24 N 2.71 0.05 0.00 5.02 -1.51 -1.98 -2.48 116.25 118.06 2kfy h VAL 24 Ca -0.35 -0.31 -0.14 0.00 -1.23 0.00 0.00 66.70 64.67 2kfy h VAL 24 Cb 1.22 1.30 -0.02 0.00 -2.13 0.00 0.00 31.29 31.66 2kfy h VAL 24 CO 0.54 0.01 -0.74 -0.33 -1.23 0.00 0.00 177.57 175.82 2kfy h GLU 25 N 0.00 0.00 0.13 5.19 5.08 -1.96 -2.95 114.58 120.07 2kfy h GLU 25 Ca -0.00 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.06 2kfy h GLU 25 Cb 0.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.55 2kfy h GLU 25 CO 0.00 0.61 -1.44 -0.44 -1.00 0.00 0.00 179.01 176.74 2kfy h ASP 26 N 0.00 0.44 0.13 1.42 3.32 -1.87 -2.81 116.42 117.06 2kfy h ASP 26 Ca -0.03 -0.55 -0.15 0.00 0.02 0.00 0.00 57.03 56.33 2kfy h ASP 26 Cb 1.52 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.91 2kfy h ASP 26 CO 0.08 1.45 -0.53 1.62 -1.72 0.00 0.00 179.24 180.13 2kfy h VAL 27 N 0.08 1.34 0.00 -1.35 3.04 -1.61 -2.10 116.25 115.63 2kfy h VAL 27 Ca -0.21 -1.79 -0.11 0.00 -1.01 0.00 0.00 66.70 63.58 2kfy h VAL 27 Cb 2.02 1.80 -0.02 0.00 -2.01 0.00 0.00 31.29 33.08 2kfy h VAL 27 CO 0.18 0.55 -0.50 0.06 -1.01 0.00 0.00 177.57 176.85 2kfy h GLN 28 N 0.34 0.00 0.00 4.17 3.07 -1.63 -0.97 115.11 120.09 2kfy h GLN 28 Ca 0.01 0.00 -0.05 0.00 0.09 0.00 0.00 58.65 58.70 2kfy h GLN 28 Cb 1.05 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.60 2kfy h GLN 28 CO 0.09 0.50 -0.23 -0.97 0.09 0.00 0.00 178.83 178.32 2kfy h ASN 29 N 0.00 0.00 0.60 0.06 -1.24 -1.31 -3.06 115.58 110.63 2kfy h ASN 29 Ca -0.01 0.00 -0.04 0.00 0.71 0.00 0.00 56.30 56.96 2kfy h ASN 29 Cb 1.28 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 40.32 2kfy h ASN 29 CO 0.07 0.23 -1.44 0.33 -1.29 0.00 0.00 177.43 175.32 2kfy n PHE 30 N -3.55 0.63 -2.33 0.67 7.35 -0.81 -3.99 117.46 115.44 2kfy n PHE 30 Ca -0.01 0.19 -0.34 0.00 -0.76 0.00 0.00 57.45 56.53 2kfy n PHE 30 Cb 0.38 -0.84 0.01 0.00 0.35 0.00 0.00 39.48 39.38 2kfy n PHE 30 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 2kfy n LEU 31 N -2.59 6.16 0.00 -2.13 4.32 -0.40 -4.89 117.00 117.48 2kfy n LEU 31 Ca -0.04 -5.14 0.00 0.00 -0.02 0.00 0.00 56.01 50.81 2kfy n LEU 31 Cb 0.63 -0.81 0.03 0.00 -1.62 0.00 0.00 43.42 41.65 2kfy n LEU 31 CO 0.42 2.04 0.14 -1.54 -1.22 0.00 0.00 177.39 177.23 2kfy n SER 32 N -0.43 0.00 0.00 -1.43 3.41 -1.16 -1.08 113.62 112.93 2kfy n SER 32 Ca 0.45 -0.25 0.00 0.00 -0.26 0.00 0.00 58.87 58.82 2kfy n SER 32 Cb 0.41 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.36 2kfy n SER 32 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2kfy n ASP 33 N -0.61 0.45 -3.75 4.04 8.00 -1.26 -5.09 116.55 118.33 2kfy n ASP 33 Ca 0.01 -0.91 -0.18 0.00 0.71 0.00 0.00 54.79 54.41 2kfy n ASP 33 Cb 0.00 0.06 0.11 0.00 -0.02 0.00 0.00 41.12 41.27 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 -2.73 0.00 -2.03 0.00 -1.04 -1.26 -5.02 114.28 102.19 2kfy n THR 35 Ca 0.12 -0.16 -0.15 0.00 -2.04 0.00 0.00 64.05 61.82 2kfy n THR 35 Cb 0.43 0.65 -0.03 0.00 -1.82 0.00 0.00 70.33 69.56 2kfy n THR 35 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 2kfy n ILE 36 N -1.08 -0.43 0.00 12.58 5.41 -1.26 -2.56 119.36 132.03 2kfy n ILE 36 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 2kfy n ILE 36 Cb 0.00 -1.83 0.00 0.00 -0.71 0.00 0.00 39.64 37.10 2kfy n ILE 36 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 176.55 178.12 2kfy n HIS 37 N -2.94 0.00 0.00 1.39 -0.00 -1.19 -3.18 115.22 109.30 2kfy n HIS 37 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.56 2kfy n HIS 37 Cb 0.58 -0.46 0.00 0.00 -0.00 0.00 0.00 29.99 30.10 2kfy n HIS 37 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.34 176.09 2kfy n ASP 38 N 0.00 0.00 0.00 0.26 8.00 -1.10 -4.92 116.55 118.79 2kfy n ASP 38 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 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 -0.21 0.59 0.00 0.44 0.00 -1.06 -4.63 105.19 100.33 2kfy n GLY 39 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.45 0.11 -1.39 4.61 0.00 -1.26 -4.98 120.51 116.15 2kfy n ALA 40 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 2kfy n ALA 40 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.47 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 0.00 1.78 0.04 0.00 0.00 -1.26 -4.67 120.51 116.40 2kfy n ALA 41 Ca 0.00 -1.15 0.01 0.00 0.00 0.00 0.00 53.44 52.30 2kfy n ALA 41 Cb 0.11 -0.30 0.00 0.00 0.00 0.00 0.00 19.45 19.27 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 -0.29 -1.07 3.78 0.00 0.00 -1.21 -4.83 105.19 101.56 2kfy n GLY 42 Ca 0.03 -0.03 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.15 3.37 -0.00 1.61 0.11 -1.26 -1.37 120.40 122.70 2kfy s VAL 43 Ca 0.01 0.60 -0.17 0.00 -2.93 0.00 0.00 61.98 59.49 2kfy s VAL 43 Cb 0.01 -3.12 0.03 0.00 -1.53 0.00 0.00 36.38 31.77 2kfy s VAL 43 CO 0.01 -0.43 0.36 -1.00 -3.33 0.00 0.00 175.10 170.71 2kfy s HIS 44 N -2.48 -0.24 0.08 1.54 3.76 -0.97 -4.92 115.29 112.06 2kfy s HIS 44 Ca 0.65 0.32 -0.10 0.00 -0.15 0.00 0.00 55.06 55.79 2kfy s HIS 44 Cb -0.19 0.15 0.00 0.00 1.11 0.00 0.00 32.58 33.65 2kfy s HIS 44 CO 0.44 -0.45 0.21 -0.06 -0.85 0.00 0.00 174.74 174.02 2kfy s PHE 45 N -1.62 0.10 -0.40 1.40 0.08 -1.26 -2.93 117.98 113.35 2kfy s PHE 45 Ca -0.11 -0.47 0.02 0.00 0.12 0.00 0.00 56.93 56.49 2kfy s PHE 45 Cb -0.03 -0.03 0.15 0.00 -0.57 0.00 0.00 43.02 42.54 2kfy s PHE 45 CO 0.03 -0.53 0.28 0.42 -0.10 0.00 0.00 175.22 175.32 2kfy s ILE 46 N -3.56 0.49 0.25 0.64 1.09 -0.82 -4.95 121.20 114.34 2kfy s ILE 46 Ca 0.02 -2.31 -0.03 0.00 -1.10 0.00 0.00 60.65 57.24 2kfy s ILE 46 Cb 0.03 -1.35 0.01 0.00 -1.06 0.00 0.00 42.46 40.09 2kfy s ILE 46 CO -0.09 -1.08 0.37 0.00 -0.10 0.00 0.00 174.94 174.04 2kfy n TYR 47 N 3.40 -1.27 -4.16 3.97 4.11 -1.26 -0.58 117.16 121.37 2kfy n TYR 47 Ca 0.19 -1.59 -0.10 0.00 -0.00 0.00 0.00 57.90 56.41 2kfy n TYR 47 Cb 0.41 0.42 -0.10 0.00 -0.00 0.00 0.00 39.34 40.07 2kfy n TYR 47 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.86 177.81 2kfy s THR 48 N -2.65 0.45 -2.00 -3.48 -4.23 -1.25 -4.96 115.64 97.52 2kfy s THR 48 Ca 0.19 -1.91 0.08 0.00 -1.18 0.00 0.00 61.69 58.87 2kfy s THR 48 Cb -0.01 -1.82 0.24 0.00 1.34 0.00 0.00 72.50 72.25 2kfy s THR 48 CO 0.14 -0.73 1.07 -2.11 -0.54 0.00 0.00 174.62 172.45 2kfy n ARG 49 N -0.06 0.70 -0.77 3.99 -4.01 -1.26 -2.92 116.66 112.33 2kfy n ARG 49 Ca -0.10 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.71 2kfy n ARG 49 Cb 0.62 -1.19 -0.00 0.00 -3.04 0.00 0.00 32.46 28.85 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 -0.69 0.00 0.00 2.89 2.13 -1.26 -5.09 120.64 118.62 2kfy n GLU 50 Ca 0.06 -1.02 0.00 0.00 0.66 0.00 0.00 57.16 56.86 2kfy n GLU 50 Cb 0.03 -0.19 0.00 0.00 0.27 0.00 0.00 31.44 31.55 2kfy n GLU 50 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2kfy n GLY 51 N 0.11 4.03 1.24 8.31 0.00 -1.15 -5.20 105.19 112.54 2kfy n GLY 51 Ca -0.01 -0.31 -0.05 0.00 0.00 0.00 0.00 46.02 45.65 2kfy n GLY 51 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2kfy n ARG 52 N 0.00 0.29 -1.62 1.61 0.00 -1.26 -4.81 116.66 110.87 2kfy n ARG 52 Ca 0.00 -0.94 -0.45 0.00 -0.00 0.00 0.00 57.85 56.45 2kfy n ARG 52 Cb 0.00 0.97 -0.02 0.00 -0.00 0.00 0.00 32.46 33.41 2kfy n ARG 52 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.63 178.57 2kfy n GLN 53 N -0.20 1.56 -0.51 2.89 -0.06 -1.16 -3.94 117.38 115.96 2kfy n GLN 53 Ca -0.01 0.55 0.00 0.00 -2.00 0.00 0.00 57.00 55.54 2kfy n GLN 53 Cb 0.21 -2.05 0.00 0.00 -4.06 0.00 0.00 30.24 24.34 2kfy n GLN 53 CO 0.00 0.00 0.00 0.43 -0.20 0.00 0.00 177.06 177.29 2kfy n SER 54 N 1.60 0.01 0.00 1.69 7.64 0.26 -4.88 113.62 119.93 2kfy n SER 54 Ca 0.11 -1.91 0.00 0.00 1.01 0.00 0.00 58.87 58.08 2kfy n SER 54 Cb 0.30 -0.18 0.00 0.00 -1.01 0.00 0.00 64.21 63.32 2kfy n SER 54 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2kfy n GLY 55 N 0.00 0.00 7.00 0.23 0.00 -1.11 -0.96 105.19 110.35 2kfy n GLY 55 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2kfy n GLY 55 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2kfy n GLU 56 N 0.00 0.00 -3.97 1.61 -0.58 -1.26 -4.76 120.64 111.67 2kfy n GLU 56 Ca 0.00 0.00 -0.12 0.00 -0.42 0.00 0.00 57.16 56.62 2kfy n GLU 56 Cb 0.00 0.00 -0.02 0.00 -0.57 0.00 0.00 31.44 30.85 2kfy n GLU 56 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2kfy s ALA 57 N -1.57 0.13 0.23 0.62 0.00 -0.49 -1.94 121.76 118.75 2kfy s ALA 57 Ca 0.00 -1.19 -0.09 0.00 0.00 0.00 0.00 51.96 50.68 2kfy s ALA 57 Cb 0.00 0.96 -0.01 0.00 0.00 0.00 0.00 23.12 24.07 2kfy s ALA 57 CO 0.00 -0.87 0.37 -0.06 0.00 0.00 0.00 175.76 175.20 2kfy s PHE 58 N -2.81 0.59 -0.16 0.00 0.08 -1.15 -1.15 117.98 113.38 2kfy s PHE 58 Ca 0.24 -0.91 -0.04 0.00 0.12 0.00 0.00 56.93 56.34 2kfy s PHE 58 Cb -0.02 -0.03 0.08 0.00 -0.57 0.00 0.00 43.02 42.48 2kfy s PHE 58 CO 0.16 -0.88 0.27 0.08 -0.10 0.00 0.00 175.22 174.75 2kfy s VAL 59 N -4.06 -0.42 0.46 -0.44 1.01 0.14 -2.29 120.40 114.81 2kfy s VAL 59 Ca 0.27 0.15 -0.20 0.00 0.00 0.00 0.00 61.98 62.20 2kfy s VAL 59 Cb 0.02 -0.54 -0.10 0.00 0.00 0.00 0.00 36.38 35.75 2kfy s VAL 59 CO 0.09 0.02 0.97 -1.61 0.00 0.00 0.00 175.10 174.57 2kfy s GLU 60 N 2.42 4.10 0.12 2.72 2.02 -0.47 -1.67 118.70 127.93 2kfy s GLU 60 Ca 0.04 1.13 0.01 0.00 0.02 0.00 0.00 54.97 56.17 2kfy s GLU 60 Cb -0.13 -2.16 -0.00 0.00 0.10 0.00 0.00 34.13 31.94 2kfy s GLU 60 CO -0.10 -0.15 0.04 1.28 0.02 0.00 0.00 175.26 176.35 2kfy n LEU 61 N -0.87 0.00 -0.02 1.80 4.77 -0.68 -3.18 117.00 118.81 2kfy n LEU 61 Ca 0.07 -0.90 0.04 0.00 -0.03 0.00 0.00 56.01 55.19 2kfy n LEU 61 Cb 0.54 0.28 -0.11 0.00 -2.33 0.00 0.00 43.42 41.80 2kfy n LEU 61 CO 0.39 -0.14 -0.74 0.61 -1.33 0.00 0.00 177.39 176.18 2kfy n GLY 62 N 1.59 -0.67 3.80 -0.72 0.00 -1.26 -4.22 105.19 103.71 2kfy n GLY 62 Ca -0.02 -0.32 -0.08 0.00 0.00 0.00 0.00 46.02 45.60 2kfy n GLY 62 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2kfy s SER 63 N -3.93 -0.10 0.49 1.61 0.15 -1.26 -5.02 113.70 105.65 2kfy s SER 63 Ca -0.06 -0.87 0.16 0.00 0.70 0.00 0.00 55.95 55.88 2kfy s SER 63 Cb 0.08 0.75 1.18 0.00 -1.71 0.00 0.00 66.02 66.33 2kfy s SER 63 CO 0.59 -1.44 2.09 -0.08 1.20 0.00 0.00 173.24 175.60 2kfy h GLU 64 N 2.03 0.15 -0.02 5.44 4.81 -1.95 -1.85 114.58 123.20 2kfy h GLU 64 Ca -0.25 -0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 58.89 2kfy h GLU 64 Cb 1.25 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.58 2kfy h GLU 64 CO 0.31 0.10 -0.39 0.22 -0.73 0.00 0.00 179.01 178.52 2kfy h ASP 65 N 0.15 0.04 0.07 1.04 3.58 -1.99 -2.03 116.42 117.28 2kfy h ASP 65 Ca 0.10 -0.01 -0.27 0.00 0.42 0.00 0.00 57.03 57.27 2kfy h ASP 65 Cb 0.22 -0.01 0.02 0.00 1.72 0.00 0.00 39.33 41.28 2kfy h ASP 65 CO -0.02 0.43 -1.07 0.44 -2.88 0.00 0.00 179.24 176.15 2kfy h ASP 66 N 0.03 0.86 -0.49 2.28 3.32 -1.71 -2.53 116.42 118.20 2kfy h ASP 66 Ca 0.00 -0.71 -0.12 0.00 0.02 0.00 0.00 57.03 56.22 2kfy h ASP 66 Cb 0.71 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.98 2kfy h ASP 66 CO 0.05 1.51 -0.16 1.62 -1.72 0.00 0.00 179.24 180.54 2kfy h VAL 67 N 0.35 1.27 -0.57 -1.35 3.04 -1.37 -0.69 116.25 116.94 2kfy h VAL 67 Ca -0.13 -1.32 -0.01 0.00 -1.01 0.00 0.00 66.70 64.23 2kfy h VAL 67 Cb 1.72 1.05 -0.03 0.00 -2.01 0.00 0.00 31.29 32.02 2kfy h VAL 67 CO 0.21 0.46 0.32 0.11 -1.01 0.00 0.00 177.57 177.65 2kfy h LYS 68 N 0.87 0.79 0.00 4.17 1.57 -1.42 -2.53 116.57 120.01 2kfy h LYS 68 Ca 0.12 -0.09 -0.08 0.00 -1.87 0.00 0.00 60.65 58.74 2kfy h LYS 68 Cb 0.73 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.87 2kfy h LYS 68 CO 0.06 0.60 -0.38 0.52 -0.57 0.00 0.00 179.45 179.67 2kfy h MET 69 N 0.77 0.00 0.00 3.15 2.86 -1.16 -2.65 114.93 117.90 2kfy h MET 69 Ca 0.20 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.74 2kfy h MET 69 Cb 0.03 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.68 2kfy h MET 69 CO -0.03 0.38 -0.49 0.00 1.06 0.00 0.00 176.91 177.83 2kfy h ALA 70 N 1.62 0.97 0.00 6.32 0.00 -0.83 -2.95 119.26 124.39 2kfy h ALA 70 Ca -0.00 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2kfy h ALA 70 Cb 0.74 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.45 2kfy h ALA 70 CO 0.05 0.61 -0.03 -0.07 0.00 0.00 0.00 179.25 179.81 2kfy h LEU 71 N 0.00 0.00 0.00 0.00 3.38 -1.11 -3.24 115.31 114.35 2kfy h LEU 71 Ca -0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2kfy h LEU 71 Cb 1.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.75 2kfy h LEU 71 CO 0.06 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.89 2kfy n LYS 72 N -2.37 0.04 -0.81 1.13 4.76 -1.11 -2.62 118.16 117.17 2kfy n LYS 72 Ca 0.05 0.28 0.04 0.00 -2.87 0.00 0.00 58.31 55.81 2kfy n LYS 72 Cb 0.44 -1.50 0.06 0.00 -1.84 0.00 0.00 35.03 32.19 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 -1.44 0.39 0.00 1.97 0.00 -1.22 -4.93 118.16 112.93 2kfy n LYS 73 Ca 0.03 -1.89 0.00 0.00 -0.00 0.00 0.00 58.31 56.45 2kfy n LYS 73 Cb 0.12 -0.61 0.00 0.00 -0.00 0.00 0.00 35.03 34.54 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 -0.17 0.00 -0.53 -5.58 5.75 -1.08 -1.89 116.55 113.05 2kfy n ASP 74 Ca 0.07 0.11 -0.00 0.00 -0.01 0.00 0.00 54.79 54.96 2kfy n ASP 74 Cb 0.85 -0.11 -0.00 0.00 -1.03 0.00 0.00 41.12 40.83 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 -0.98 0.00 0.00 0.11 0.63 -1.26 -1.66 116.66 113.50 2kfy n ARG 75 Ca 0.00 -0.42 0.00 0.00 -0.92 0.00 0.00 57.85 56.51 2kfy n ARG 75 Cb 0.17 -0.17 0.00 0.00 0.45 0.00 0.00 32.46 32.91 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 0.01 0.50 -4.19 -0.14 -0.58 -0.80 -4.62 120.64 110.82 2kfy n GLU 76 Ca -0.01 0.00 -0.18 0.00 -0.42 0.00 0.00 57.16 56.56 2kfy n GLU 76 Cb 0.59 0.00 -0.06 0.00 -0.57 0.00 0.00 31.44 31.40 2kfy n GLU 76 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 2kfy s SER 77 N -1.46 1.42 0.00 1.62 0.15 -1.26 -0.75 113.70 113.41 2kfy s SER 77 Ca 0.00 -1.67 0.00 0.00 0.70 0.00 0.00 55.95 54.98 2kfy s SER 77 Cb 0.00 0.63 0.00 0.00 -1.71 0.00 0.00 66.02 64.94 2kfy s SER 77 CO 0.00 -1.22 0.09 0.23 1.20 0.00 0.00 173.24 173.54 2kfy n MET 78 N -0.62 3.63 0.00 5.44 2.81 -1.19 -4.88 117.12 122.31 2kfy n MET 78 Ca 0.04 -0.09 0.00 0.00 -1.81 0.00 0.00 57.70 55.84 2kfy n MET 78 Cb 0.62 -0.49 0.00 0.00 -0.71 0.00 0.00 33.22 32.64 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 0.54 1.15 0.00 3.03 0.00 -1.26 -4.92 105.19 103.74 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 -3.52 1.61 -0.00 -1.26 -5.13 115.22 106.93 2kfy n HIS 80 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 57.72 57.57 2kfy n HIS 80 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 29.99 29.94 2kfy n HIS 80 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.34 176.84 2kfy s ARG 81 N -0.09 1.10 0.43 1.57 6.06 -1.26 -5.12 118.95 121.63 2kfy s ARG 81 Ca 0.00 -0.06 -0.03 0.00 -2.50 0.00 0.00 55.73 53.14 2kfy s ARG 81 Cb 0.00 0.51 -0.04 0.00 0.06 0.00 0.00 34.95 35.48 2kfy s ARG 81 CO 0.00 -0.39 0.69 1.52 -2.50 0.00 0.00 175.30 174.61 2kfy s TYR 82 N -2.16 3.54 0.23 5.12 1.13 -1.26 -3.17 117.35 120.78 2kfy s TYR 82 Ca -0.07 0.63 0.07 0.00 -1.41 0.00 0.00 57.07 56.29 2kfy s TYR 82 Cb -0.01 -2.14 -0.05 0.00 -1.10 0.00 0.00 41.96 38.67 2kfy s TYR 82 CO 0.01 -0.11 -0.10 0.42 -2.51 0.00 0.00 175.55 173.25 2kfy s ILE 83 N -2.57 1.65 0.08 -3.49 -1.09 0.07 -3.26 121.20 112.60 2kfy s ILE 83 Ca 0.44 -2.17 -0.09 0.00 -2.23 0.00 0.00 60.65 56.60 2kfy s ILE 83 Cb -0.10 -2.20 0.00 0.00 -1.58 0.00 0.00 42.46 38.58 2kfy s ILE 83 CO 0.41 -0.48 0.21 -1.61 -1.23 0.00 0.00 174.94 172.24 2kfy s GLU 84 N -3.69 0.84 0.03 2.79 2.02 -0.27 -3.36 118.70 117.05 2kfy s GLU 84 Ca 0.25 -0.88 -0.02 0.00 0.02 0.00 0.00 54.97 54.34 2kfy s GLU 84 Cb 0.01 0.34 -0.02 0.00 0.10 0.00 0.00 34.13 34.57 2kfy s GLU 84 CO 0.09 -0.27 0.01 0.08 0.02 0.00 0.00 175.26 175.19 2kfy s VAL 85 N -3.63 0.13 -0.03 2.63 1.01 -0.66 -2.69 120.40 117.16 2kfy s VAL 85 Ca 0.03 -1.06 -0.23 0.00 0.00 0.00 0.00 61.98 60.72 2kfy s VAL 85 Cb 0.04 -0.58 0.05 0.00 0.00 0.00 0.00 36.38 35.89 2kfy s VAL 85 CO -0.10 -0.58 0.50 0.12 0.00 0.00 0.00 175.10 175.04 2kfy s PHE 86 N -2.02 -0.42 0.51 5.22 2.19 -1.13 -4.65 117.98 117.68 2kfy s PHE 86 Ca -0.11 0.70 -0.20 0.00 0.33 0.00 0.00 56.93 57.66 2kfy s PHE 86 Cb -0.06 0.26 -0.07 0.00 -1.31 0.00 0.00 43.02 41.84 2kfy s PHE 86 CO -0.03 -0.50 1.10 0.21 1.83 0.00 0.00 175.22 177.82 2kfy s LYS 87 N -1.28 3.57 0.00 10.12 2.20 -1.26 -0.10 119.74 132.99 2kfy s LYS 87 Ca -0.12 1.53 0.00 0.00 -0.36 0.00 0.00 55.97 57.01 2kfy s LYS 87 Cb -0.03 -2.07 0.00 0.00 -1.51 0.00 0.00 37.83 34.22 2kfy s LYS 87 CO 0.07 -0.66 0.00 0.45 -0.36 0.00 0.00 175.35 174.85 2kfy n SER 88 N -1.10 0.00 0.00 1.43 2.88 -0.40 -4.51 113.62 111.92 2kfy n SER 88 Ca 0.10 -0.75 0.00 0.00 -1.33 0.00 0.00 58.87 56.90 2kfy n SER 88 Cb 0.51 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.97 2kfy n SER 88 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2kfy n HIS 89 N 0.00 0.00 0.00 0.66 1.44 -1.26 -2.43 115.22 113.63 2kfy n HIS 89 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 2kfy n HIS 89 Cb 0.00 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.11 2kfy n HIS 89 CO 0.00 0.00 0.00 2.89 -2.81 0.00 0.00 176.34 176.42 2kfy n ARG 90 N -1.42 0.00 -0.10 -1.40 1.85 -1.26 -4.45 116.66 109.87 2kfy n ARG 90 Ca 0.00 0.00 -0.12 0.00 -1.00 0.00 0.00 57.85 56.73 2kfy n ARG 90 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 2kfy n ARG 90 CO 0.00 0.00 0.00 1.15 -0.01 0.00 0.00 177.63 178.77 2kfy h THR 91 N 0.00 1.28 -0.36 8.89 2.02 -1.97 -0.51 112.91 122.26 2kfy h THR 91 Ca 0.00 -1.56 -0.15 0.00 0.77 0.00 0.00 66.41 65.48 2kfy h THR 91 Cb 0.00 1.40 -0.01 0.00 -1.74 0.00 0.00 68.15 67.80 2kfy h THR 91 CO 0.00 0.52 -0.36 -0.08 0.37 0.00 0.00 175.52 175.97 2kfy h GLU 92 N 0.72 0.83 -0.35 6.66 4.81 -1.94 -2.68 114.58 122.64 2kfy h GLU 92 Ca 0.06 -0.42 0.00 0.00 -0.13 0.00 0.00 59.36 58.88 2kfy h GLU 92 Cb 0.96 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.33 2kfy h GLU 92 CO 0.09 1.05 0.23 1.98 -0.73 0.00 0.00 179.01 181.63 2kfy h MET 93 N 0.69 0.45 0.00 1.92 4.05 -1.91 -2.33 114.93 117.80 2kfy h MET 93 Ca 0.06 -0.03 -0.06 0.00 -0.28 0.00 0.00 59.70 59.39 2kfy h MET 93 Cb 0.92 -0.10 -0.01 0.00 -0.80 0.00 0.00 31.60 31.61 2kfy h MET 93 CO 0.09 0.30 -0.30 0.22 0.23 0.00 0.00 176.91 177.44 2kfy h ASP 94 N 0.47 0.00 0.35 1.39 3.58 -1.07 -2.66 116.42 118.47 2kfy h ASP 94 Ca 0.13 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.56 2kfy h ASP 94 Cb -0.05 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.00 2kfy h ASP 94 CO -0.03 0.30 -0.17 -0.25 -2.88 0.00 0.00 179.24 176.22 2kfy h TRP 95 N 0.00 -0.43 0.00 0.28 7.01 -1.08 -3.30 115.95 118.43 2kfy h TRP 95 Ca -0.00 -0.01 -0.04 0.00 2.11 0.00 0.00 58.89 60.94 2kfy h TRP 95 Cb 0.58 0.14 -0.01 0.00 -2.10 0.00 0.00 29.16 27.78 2kfy h TRP 95 CO 0.00 -0.12 -0.21 -0.24 -2.79 0.00 0.00 178.44 175.09 2kfy h VAL 96 N -0.99 0.47 0.00 2.65 3.04 -1.52 -1.68 116.25 118.22 2kfy h VAL 96 Ca -0.05 -1.15 0.00 0.00 -1.01 0.00 0.00 66.70 64.50 2kfy h VAL 96 Cb 0.51 1.82 0.00 0.00 -2.01 0.00 0.00 31.29 31.61 2kfy h VAL 96 CO 0.08 0.20 0.00 0.18 -1.01 0.00 0.00 177.57 177.02 2kfy n LEU 97 N -3.31 0.00 -0.06 3.16 7.99 -1.00 -2.57 117.00 121.20 2kfy n LEU 97 Ca 0.01 0.40 0.00 0.00 -0.01 0.00 0.00 56.01 56.41 2kfy n LEU 97 Cb 0.45 -0.40 0.00 0.00 -0.11 0.00 0.00 43.42 43.36 2kfy n LEU 97 CO 0.33 -0.30 0.26 0.29 -1.51 0.00 0.00 177.39 176.46 2kfy n LYS 98 N -1.40 0.14 -2.29 3.23 5.02 -0.87 -4.87 118.16 117.13 2kfy n LYS 98 Ca 0.02 -0.62 -0.01 0.00 -2.02 0.00 0.00 58.31 55.68 2kfy n LYS 98 Cb 0.07 -0.53 0.05 0.00 -0.02 0.00 0.00 35.03 34.60 2kfy n LYS 98 CO 0.00 0.00 0.00 1.58 -0.52 0.00 0.00 177.40 178.46 2kfy n HIS 99 N -0.03 -0.26 -1.43 2.13 -0.00 -0.69 -5.07 115.22 109.87 2kfy n HIS 99 Ca 0.00 -1.49 -0.37 0.00 0.46 0.00 0.00 57.72 56.32 2kfy n HIS 99 Cb 0.51 0.50 0.06 0.00 -0.12 0.00 0.00 29.99 30.94 2kfy n HIS 99 CO 0.00 0.00 0.00 -1.13 0.46 0.00 0.00 176.34 175.67 2kfy n SER 100 N -0.65 -0.54 0.00 0.26 3.41 -1.09 -4.78 113.62 110.23 2kfy n SER 100 Ca -0.07 0.70 0.00 0.00 -0.26 0.00 0.00 58.87 59.24 2kfy n SER 100 Cb 0.87 -1.26 0.00 0.00 -0.26 0.00 0.00 64.21 63.56 2kfy n SER 100 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2kfy n GLY 101 N 1.57 0.48 0.00 5.00 0.00 -0.13 -5.05 105.19 107.06 2kfy n GLY 101 Ca 0.12 -0.01 0.09 0.00 0.00 0.00 0.00 46.02 46.21 2kfy n GLY 101 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77