#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 -2.38 -3.87 2.12 0.00 -1.26 -5.05 117.12 106.68 2kfy n MET 2 Ca 0.00 1.59 -0.08 0.00 0.00 0.00 0.00 57.70 59.22 2kfy n MET 2 Cb 0.00 -2.91 -0.02 0.00 0.00 0.00 0.00 33.22 30.30 2kfy n MET 2 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 175.97 175.49 2kfy s LEU 3 N -6.02 -0.10 0.00 4.03 2.34 -1.26 -5.19 118.68 112.49 2kfy s LEU 3 Ca 0.00 -0.79 0.00 0.00 0.06 0.00 0.00 54.13 53.40 2kfy s LEU 3 Cb 0.00 2.60 0.00 0.00 -0.56 0.00 0.00 46.19 48.23 2kfy s LEU 3 CO 0.00 -1.39 0.00 0.61 -1.06 0.00 0.00 176.35 174.51 2kfy n GLY 4 N -0.47 -1.53 3.51 -3.48 0.00 -1.26 -5.16 105.19 96.80 2kfy n GLY 4 Ca -0.04 -1.07 -0.35 0.00 0.00 0.00 0.00 46.02 44.55 2kfy n GLY 4 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2kfy n PRO 5 N -0.23 0.17 0.00 1.61 -0.02 -1.26 -4.97 135.00 130.29 2kfy n PRO 5 Ca 0.00 0.11 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 2kfy n PRO 5 Cb 0.00 -1.99 0.00 0.00 -0.02 0.00 0.00 33.50 31.49 2kfy n PRO 5 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2kfy n GLU 6 N -1.52 0.00 -3.04 -0.52 1.02 -1.26 -5.14 120.64 110.18 2kfy n GLU 6 Ca 0.10 -0.17 0.00 0.00 -0.02 0.00 0.00 57.16 57.07 2kfy n GLU 6 Cb 0.51 -0.41 0.00 0.00 -0.02 0.00 0.00 31.44 31.52 2kfy n GLU 6 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2kfy n GLY 7 N 0.00 -1.17 0.34 0.62 0.00 -1.26 -5.05 105.19 98.68 2kfy n GLY 7 Ca 0.00 -0.99 -0.00 0.00 0.00 0.00 0.00 46.02 45.03 2kfy n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kfy n GLY 8 N -0.03 0.54 0.00 -0.02 0.00 -1.26 -4.55 105.19 99.87 2kfy n GLY 8 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 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 0.00 0.63 0.00 1.61 1.02 -1.26 -2.46 120.64 120.18 2kfy n GLU 9 Ca -0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.12 2kfy n GLU 9 Cb 0.32 -1.06 0.00 0.00 -0.02 0.00 0.00 31.44 30.68 2kfy n GLU 9 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2kfy n GLY 10 N 0.15 0.07 2.19 0.62 0.00 -1.25 -4.99 105.19 101.97 2kfy n GLY 10 Ca 0.02 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.93 2kfy n GLY 10 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2kfy n PHE 11 N -0.46 -1.12 -3.17 1.61 3.72 -1.03 -4.50 117.46 112.52 2kfy n PHE 11 Ca 0.00 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.11 2kfy n PHE 11 Cb 0.02 -2.37 -0.03 0.00 -0.94 0.00 0.00 39.48 36.16 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 -2.26 4.96 0.06 -4.37 1.01 -1.25 -1.76 120.40 116.79 2kfy s VAL 12 Ca 0.00 0.17 0.01 0.00 0.00 0.00 0.00 61.98 62.16 2kfy s VAL 12 Cb 0.00 -3.75 -0.03 0.00 0.00 0.00 0.00 36.38 32.60 2kfy s VAL 12 CO 0.00 -0.43 -0.06 0.68 0.00 0.00 0.00 175.10 175.29 2kfy s VAL 13 N -2.22 0.50 0.39 2.92 -7.23 -0.52 -1.66 120.40 112.58 2kfy s VAL 13 Ca 0.46 -1.45 -0.05 0.00 -1.81 0.00 0.00 61.98 59.12 2kfy s VAL 13 Cb -0.10 -1.06 -0.05 0.00 0.56 0.00 0.00 36.38 35.73 2kfy s VAL 13 CO 0.32 -0.65 0.68 -0.54 -0.31 0.00 0.00 175.10 174.61 2kfy s LYS 14 N -2.65 3.61 0.01 4.82 1.02 0.65 -0.74 119.74 126.45 2kfy s LYS 14 Ca -0.01 0.12 0.02 0.00 0.02 0.00 0.00 55.97 56.12 2kfy s LYS 14 Cb -0.02 -2.50 -0.01 0.00 -0.52 0.00 0.00 37.83 34.78 2kfy s LYS 14 CO -0.03 -0.00 -0.06 -1.17 -0.92 0.00 0.00 175.35 173.17 2kfy s LEU 15 N -4.16 2.08 -0.03 3.17 1.98 0.08 -2.40 118.68 119.39 2kfy s LEU 15 Ca 0.46 -0.23 -0.15 0.00 -2.89 0.00 0.00 54.13 51.33 2kfy s LEU 15 Cb -0.10 -0.26 0.03 0.00 0.66 0.00 0.00 46.19 46.51 2kfy s LEU 15 CO 0.37 -0.01 0.32 -0.60 -1.89 0.00 0.00 176.35 174.54 2kfy s ARG 16 N -0.55 0.63 0.00 1.98 3.52 -0.62 -0.32 118.95 123.59 2kfy s ARG 16 Ca -0.01 -0.08 0.00 0.00 -0.13 0.00 0.00 55.73 55.51 2kfy s ARG 16 Cb -0.04 0.28 0.00 0.00 -1.56 0.00 0.00 34.95 33.63 2kfy s ARG 16 CO -0.00 -0.16 0.00 0.41 -0.81 0.00 0.00 175.30 174.74 2kfy n GLY 17 N 1.53 0.50 1.28 8.12 0.00 -0.74 -0.19 105.19 115.70 2kfy n GLY 17 Ca -0.20 -2.19 0.09 0.00 0.00 0.00 0.00 46.02 43.72 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 -1.11 -3.57 0.99 4.77 -1.19 -4.47 117.00 112.43 2kfy n LEU 18 Ca 0.00 2.23 -0.43 0.00 -0.03 0.00 0.00 56.01 57.79 2kfy n LEU 18 Cb 0.00 -2.59 -0.07 0.00 -2.33 0.00 0.00 43.42 38.43 2kfy n LEU 18 CO 0.00 -1.39 1.95 -0.81 -1.33 0.00 0.00 177.39 175.81 2kfy n PRO 19 N -3.40 1.13 -1.84 3.23 -0.04 -1.26 -4.40 135.00 128.41 2kfy n PRO 19 Ca -0.05 -1.60 -0.08 0.00 -0.04 0.00 0.00 63.50 61.72 2kfy n PRO 19 Cb 0.52 -2.79 -0.02 0.00 -0.04 0.00 0.00 33.50 31.18 2kfy n PRO 19 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 2kfy n TRP 20 N 7.72 -1.10 -3.73 0.54 7.02 -1.26 -4.89 117.44 121.73 2kfy n TRP 20 Ca 0.48 0.00 -0.14 0.00 -1.02 0.00 0.00 57.50 56.82 2kfy n TRP 20 Cb 0.39 -2.07 -0.09 0.00 -2.42 0.00 0.00 31.31 27.12 2kfy n TRP 20 CO 0.00 0.00 0.00 0.45 -2.02 0.00 0.00 177.69 176.12 2kfy s SER 21 N -1.86 -0.32 0.22 -0.99 0.15 -1.26 -4.30 113.70 105.35 2kfy s SER 21 Ca 0.00 0.40 -0.21 0.00 0.70 0.00 0.00 55.95 56.84 2kfy s SER 21 Cb 0.00 0.51 0.07 0.00 -1.71 0.00 0.00 66.02 64.89 2kfy s SER 21 CO 0.00 -0.36 1.00 0.00 1.20 0.00 0.00 173.24 175.08 2kfy s SER 23 N -3.35 0.10 0.54 0.00 1.04 -1.26 -5.04 113.70 105.73 2kfy s SER 23 Ca 0.21 -0.84 0.34 0.00 0.48 0.00 0.00 55.95 56.15 2kfy s SER 23 Cb -0.03 0.39 1.50 0.00 0.10 0.00 0.00 66.02 67.98 2kfy s SER 23 CO 0.06 -0.82 2.02 -0.37 0.98 0.00 0.00 173.24 175.11 2kfy h VAL 24 N 2.65 0.00 0.00 5.02 -1.51 -2.00 -2.57 116.25 117.85 2kfy h VAL 24 Ca -0.33 -0.40 -0.19 0.00 -1.23 0.00 0.00 66.70 64.55 2kfy h VAL 24 Cb 1.21 1.37 -0.03 0.00 -2.13 0.00 0.00 31.29 31.71 2kfy h VAL 24 CO 0.52 0.00 -1.13 -0.33 -1.23 0.00 0.00 177.57 175.40 2kfy h GLU 25 N 0.00 0.00 0.11 5.19 5.08 -1.99 -3.00 114.58 119.97 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 0.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.66 2kfy h GLU 25 CO 0.00 0.61 -1.21 -0.44 -1.00 0.00 0.00 179.01 176.97 2kfy h ASP 26 N 0.00 0.38 0.00 1.42 3.32 -1.88 -2.73 116.42 116.93 2kfy h ASP 26 Ca -0.10 -0.40 -0.20 0.00 0.02 0.00 0.00 57.03 56.34 2kfy h ASP 26 Cb 1.69 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 41.12 2kfy h ASP 26 CO 0.08 1.31 -0.71 1.62 -1.72 0.00 0.00 179.24 179.83 2kfy h VAL 27 N 0.07 1.32 0.00 -1.35 3.04 -1.59 -2.22 116.25 115.51 2kfy h VAL 27 Ca -0.12 -1.98 -0.07 0.00 -1.01 0.00 0.00 66.70 63.52 2kfy h VAL 27 Cb 1.94 1.96 -0.01 0.00 -2.01 0.00 0.00 31.29 33.16 2kfy h VAL 27 CO 0.19 0.62 -0.33 0.06 -1.01 0.00 0.00 177.57 177.11 2kfy h GLN 28 N 0.45 0.00 0.00 4.17 3.07 -1.62 -2.55 115.11 118.62 2kfy h GLN 28 Ca -0.03 0.00 -0.09 0.00 0.09 0.00 0.00 58.65 58.62 2kfy h GLN 28 Cb 1.30 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.85 2kfy h GLN 28 CO 0.14 0.33 -0.42 -0.97 0.09 0.00 0.00 178.83 177.99 2kfy h ASN 29 N 0.00 0.00 1.26 0.06 -1.24 -1.27 -3.17 115.58 111.22 2kfy h ASN 29 Ca -0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 2kfy h ASN 29 Cb 0.85 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.90 2kfy h ASN 29 CO 0.04 0.42 -0.67 0.15 -1.29 0.00 0.00 177.43 176.08 2kfy h PHE 30 N 0.00 0.00 -2.46 0.67 3.57 -1.02 -3.36 116.94 114.35 2kfy h PHE 30 Ca -0.00 0.00 -0.78 0.00 3.53 0.00 0.00 57.97 60.72 2kfy h PHE 30 Cb 0.84 0.00 -0.29 0.00 2.79 0.00 0.00 35.95 39.29 2kfy h PHE 30 CO 0.00 0.00 0.72 1.28 -2.23 0.00 0.00 178.31 178.08 2kfy n LEU 31 N -2.72 6.63 -4.61 0.59 4.32 -1.01 -5.04 117.00 115.17 2kfy n LEU 31 Ca 0.02 -5.37 -0.39 0.00 -0.02 0.00 0.00 56.01 50.24 2kfy n LEU 31 Cb 0.53 -1.12 0.03 0.00 -1.62 0.00 0.00 43.42 41.24 2kfy n LEU 31 CO 0.38 1.97 0.54 -1.20 -1.22 0.00 0.00 177.39 177.86 2kfy n SER 32 N 0.40 0.93 0.00 -1.43 7.64 -1.26 -2.04 113.62 117.86 2kfy n SER 32 Ca 0.38 0.91 0.00 0.00 1.01 0.00 0.00 58.87 61.17 2kfy n SER 32 Cb 0.30 -1.36 0.00 0.00 -1.01 0.00 0.00 64.21 62.14 2kfy n SER 32 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2kfy n ASP 33 N -0.07 0.00 -3.59 6.43 8.00 -1.26 -4.95 116.55 121.11 2kfy n ASP 33 Ca 0.11 0.00 -0.23 0.00 0.71 0.00 0.00 54.79 55.39 2kfy n ASP 33 Cb 0.44 -2.02 0.15 0.00 -0.02 0.00 0.00 41.12 39.67 2kfy n ASP 33 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kfy s THR 35 N -3.17 0.00 -0.72 0.00 2.01 -1.26 -5.06 115.64 107.45 2kfy s THR 35 Ca 0.59 0.03 -0.02 0.00 0.31 0.00 0.00 61.69 62.60 2kfy s THR 35 Cb -0.02 -0.03 0.41 0.00 0.01 0.00 0.00 72.50 72.87 2kfy s THR 35 CO 0.41 0.02 2.04 -0.38 -0.69 0.00 0.00 174.62 176.02 2kfy n ILE 36 N 3.25 3.61 0.00 1.82 -0.00 -1.26 -3.50 119.36 123.27 2kfy n ILE 36 Ca -0.15 -3.34 0.00 0.00 -0.00 0.00 0.00 62.75 59.26 2kfy n ILE 36 Cb 0.58 -1.19 0.00 0.00 -0.00 0.00 0.00 39.64 39.03 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 -0.75 0.00 0.00 1.39 -0.00 -1.17 -2.24 115.22 112.45 2kfy n HIS 37 Ca 0.59 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 58.31 2kfy n HIS 37 Cb 0.52 -0.09 0.00 0.00 -0.00 0.00 0.00 29.99 30.42 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 0.09 0.00 -0.37 0.26 8.00 -1.26 -4.88 116.55 118.39 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 -0.19 -3.64 2.45 0.44 0.00 -0.95 -4.66 105.19 98.64 2kfy n GLY 39 Ca 0.00 -0.84 -0.02 0.00 0.00 0.00 0.00 46.02 45.15 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 -0.19 -0.04 -1.72 4.61 0.00 -1.26 -4.59 120.51 117.33 2kfy n ALA 40 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.48 2kfy n ALA 40 Cb 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 18.49 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 0.54 1.68 -1.07 0.00 0.00 -1.26 -4.81 120.51 115.59 2kfy n ALA 41 Ca -0.02 -0.74 0.00 0.00 0.00 0.00 0.00 53.44 52.67 2kfy n ALA 41 Cb 0.31 -0.30 0.00 0.00 0.00 0.00 0.00 19.45 19.46 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 0.00 -1.58 3.85 0.00 0.00 -1.24 -4.71 105.19 101.51 2kfy n GLY 42 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 0.00 4.51 0.15 1.61 0.11 -1.26 -2.21 120.40 123.31 2kfy s VAL 43 Ca 0.00 0.88 -0.16 0.00 -2.93 0.00 0.00 61.98 59.77 2kfy s VAL 43 Cb 0.00 -3.73 0.03 0.00 -1.53 0.00 0.00 36.38 31.15 2kfy s VAL 43 CO 0.00 -1.00 0.43 -1.00 -3.33 0.00 0.00 175.10 170.20 2kfy s HIS 44 N -3.04 -0.13 0.24 1.54 3.76 -1.03 -4.95 115.29 111.67 2kfy s HIS 44 Ca 0.57 -0.20 -0.10 0.00 -0.15 0.00 0.00 55.06 55.18 2kfy s HIS 44 Cb -0.12 0.28 -0.01 0.00 1.11 0.00 0.00 32.58 33.84 2kfy s HIS 44 CO 0.50 -0.77 0.40 -0.06 -0.85 0.00 0.00 174.74 173.96 2kfy s PHE 45 N -3.84 0.57 -0.11 1.40 0.08 -1.26 -2.91 117.98 111.90 2kfy s PHE 45 Ca 0.06 -0.89 -0.01 0.00 0.12 0.00 0.00 56.93 56.20 2kfy s PHE 45 Cb 0.01 0.01 0.03 0.00 -0.57 0.00 0.00 43.02 42.51 2kfy s PHE 45 CO -0.08 -0.92 -0.01 0.42 -0.10 0.00 0.00 175.22 174.53 2kfy s ILE 46 N -4.01 0.58 0.23 0.64 1.01 -1.04 -4.87 121.20 113.73 2kfy s ILE 46 Ca 0.26 -0.15 -0.10 0.00 0.00 0.00 0.00 60.65 60.67 2kfy s ILE 46 Cb 0.01 -0.78 0.04 0.00 0.01 0.00 0.00 42.46 41.74 2kfy s ILE 46 CO 0.10 0.17 0.51 0.00 0.00 0.00 0.00 174.94 175.72 2kfy n TYR 47 N 5.07 -1.77 -4.18 3.97 4.11 -1.26 -1.63 117.16 121.46 2kfy n TYR 47 Ca -0.09 -1.12 -0.11 0.00 -0.00 0.00 0.00 57.90 56.58 2kfy n TYR 47 Cb 0.49 0.56 -0.10 0.00 -0.00 0.00 0.00 39.34 40.29 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 -2.42 0.35 -2.00 -3.48 -4.23 -1.26 -4.91 115.64 97.69 2kfy s THR 48 Ca 0.10 -1.93 0.20 0.00 -1.18 0.00 0.00 61.69 58.88 2kfy s THR 48 Cb -0.03 -2.04 0.58 0.00 1.34 0.00 0.00 72.50 72.35 2kfy s THR 48 CO 0.07 -0.50 1.61 -2.11 -0.54 0.00 0.00 174.62 173.15 2kfy n ARG 49 N -0.14 0.68 -1.73 3.99 -4.01 -1.26 -3.34 116.66 110.85 2kfy n ARG 49 Ca -0.06 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.75 2kfy n ARG 49 Cb 0.63 -1.46 0.01 0.00 -3.04 0.00 0.00 32.46 28.60 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 -0.96 0.44 0.00 2.89 4.07 -1.26 -5.09 120.64 120.72 2kfy n GLU 50 Ca 0.15 -1.97 0.00 0.00 -0.06 0.00 0.00 57.16 55.28 2kfy n GLU 50 Cb 0.07 -0.14 0.00 0.00 -0.06 0.00 0.00 31.44 31.31 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 -0.01 3.94 3.40 8.31 0.00 -1.21 -5.19 105.19 114.43 2kfy n GLY 51 Ca -0.04 -0.27 -0.13 0.00 0.00 0.00 0.00 46.02 45.59 2kfy n GLY 51 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2kfy s ARG 52 N 4.52 1.58 0.31 1.61 0.52 -1.26 -4.87 118.95 121.35 2kfy s ARG 52 Ca 0.00 -1.62 -0.29 0.00 -0.52 0.00 0.00 55.73 53.30 2kfy s ARG 52 Cb 0.00 0.38 -0.12 0.00 0.52 0.00 0.00 34.95 35.74 2kfy s ARG 52 CO 0.00 -0.61 1.53 1.04 0.02 0.00 0.00 175.30 177.28 2kfy n GLN 53 N -0.43 2.59 0.06 3.54 1.13 -1.26 -4.20 117.38 118.80 2kfy n GLN 53 Ca 0.01 0.92 0.09 0.00 -1.94 0.00 0.00 57.00 56.07 2kfy n GLN 53 Cb 0.63 -2.66 0.37 0.00 0.11 0.00 0.00 30.24 28.70 2kfy n GLN 53 CO 0.00 0.00 0.00 -1.13 -1.44 0.00 0.00 177.06 174.49 2kfy n SER 54 N 1.61 0.29 0.00 1.08 3.41 -0.65 -4.80 113.62 114.56 2kfy n SER 54 Ca 0.07 0.58 0.00 0.00 -0.26 0.00 0.00 58.87 59.26 2kfy n SER 54 Cb 0.37 -0.64 0.00 0.00 -0.26 0.00 0.00 64.21 63.68 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 -0.20 0.87 3.22 5.00 0.00 -1.26 -5.08 105.19 107.75 2kfy n GLY 55 Ca 0.02 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.71 1.06 0.20 1.61 2.02 -1.26 -1.79 118.70 119.83 2kfy s GLU 56 Ca 0.00 -1.50 -0.13 0.00 0.02 0.00 0.00 54.97 53.36 2kfy s GLU 56 Cb 0.00 -0.20 0.05 0.00 0.10 0.00 0.00 34.13 34.08 2kfy s GLU 56 CO 0.00 -0.13 0.63 0.00 0.02 0.00 0.00 175.26 175.78 2kfy n ALA 57 N -0.20 -1.54 -2.23 5.21 0.00 0.56 -2.51 120.51 119.80 2kfy n ALA 57 Ca -0.07 -0.80 -0.10 0.00 0.00 0.00 0.00 53.44 52.47 2kfy n ALA 57 Cb 0.63 0.55 -0.10 0.00 0.00 0.00 0.00 19.45 20.54 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 -3.80 0.86 -0.17 0.00 0.08 -1.15 -0.74 117.98 113.06 2kfy s PHE 58 Ca 0.13 -1.21 -0.04 0.00 0.12 0.00 0.00 56.93 55.93 2kfy s PHE 58 Cb -0.03 -0.45 0.08 0.00 -0.57 0.00 0.00 43.02 42.06 2kfy s PHE 58 CO 0.06 -0.57 0.21 0.08 -0.10 0.00 0.00 175.22 174.91 2kfy s VAL 59 N -4.06 -0.31 0.43 -0.44 1.01 0.08 -2.47 120.40 114.64 2kfy s VAL 59 Ca 0.26 0.00 -0.23 0.00 0.00 0.00 0.00 61.98 62.01 2kfy s VAL 59 Cb 0.07 -0.59 -0.08 0.00 0.00 0.00 0.00 36.38 35.78 2kfy s VAL 59 CO 0.04 -0.12 1.09 -1.61 0.00 0.00 0.00 175.10 174.49 2kfy s GLU 60 N 2.32 3.96 0.22 2.72 2.02 -0.94 -1.44 118.70 127.57 2kfy s GLU 60 Ca 0.05 1.58 0.01 0.00 0.02 0.00 0.00 54.97 56.64 2kfy s GLU 60 Cb -0.15 -2.42 -0.00 0.00 0.10 0.00 0.00 34.13 31.65 2kfy s GLU 60 CO -0.11 -0.33 0.05 1.28 0.02 0.00 0.00 175.26 176.17 2kfy n LEU 61 N -0.36 0.00 -0.02 1.80 4.77 -0.72 -3.03 117.00 119.44 2kfy n LEU 61 Ca 0.06 -1.55 0.03 0.00 -0.03 0.00 0.00 56.01 54.52 2kfy n LEU 61 Cb 0.50 0.39 -0.11 0.00 -2.33 0.00 0.00 43.42 41.87 2kfy n LEU 61 CO 0.45 -0.23 -0.74 0.61 -1.33 0.00 0.00 177.39 176.15 2kfy n GLY 62 N 1.23 -0.63 3.35 -0.72 0.00 -1.23 -4.20 105.19 103.00 2kfy n GLY 62 Ca -0.06 -0.30 -0.09 0.00 0.00 0.00 0.00 46.02 45.57 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 -3.89 0.00 0.44 1.61 0.01 -1.26 -5.02 113.70 105.59 2kfy s SER 63 Ca -0.05 -0.78 0.11 0.00 1.31 0.00 0.00 55.95 56.53 2kfy s SER 63 Cb 0.07 0.45 1.00 0.00 0.21 0.00 0.00 66.02 67.75 2kfy s SER 63 CO 0.56 -0.90 2.06 -0.08 0.41 0.00 0.00 173.24 175.29 2kfy h GLU 64 N 2.51 0.38 0.00 12.44 4.81 -1.94 -1.59 114.58 131.19 2kfy h GLU 64 Ca -0.32 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 58.85 2kfy h GLU 64 Cb 1.23 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.52 2kfy h GLU 64 CO 0.48 0.25 -0.19 -0.44 -0.73 0.00 0.00 179.01 178.37 2kfy h ASP 65 N 0.39 0.00 0.04 1.04 3.32 -1.99 -0.27 116.42 118.96 2kfy h ASP 65 Ca 0.15 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 56.92 2kfy h ASP 65 Cb 0.12 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.70 2kfy h ASP 65 CO -0.03 0.19 -1.11 0.44 -1.72 0.00 0.00 179.24 177.01 2kfy h ASP 66 N 0.00 0.90 -0.31 6.45 3.32 -1.68 -2.14 116.42 122.96 2kfy h ASP 66 Ca -0.00 -0.77 -0.15 0.00 0.02 0.00 0.00 57.03 56.12 2kfy h ASP 66 Cb 0.49 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 2kfy h ASP 66 CO 0.02 1.56 -0.39 1.62 -1.72 0.00 0.00 179.24 180.34 2kfy h VAL 67 N 0.34 1.28 -0.09 -1.35 3.04 -1.30 -0.57 116.25 117.59 2kfy h VAL 67 Ca -0.15 -1.56 0.03 0.00 -1.01 0.00 0.00 66.70 64.01 2kfy h VAL 67 Cb 1.77 1.41 -0.03 0.00 -2.01 0.00 0.00 31.29 32.43 2kfy h VAL 67 CO 0.22 0.52 -0.09 0.11 -1.01 0.00 0.00 177.57 177.31 2kfy h LYS 68 N 0.70 -0.11 0.00 4.17 1.57 -1.12 -2.00 116.57 119.78 2kfy h LYS 68 Ca 0.06 0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.81 2kfy h LYS 68 Cb 0.96 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.29 2kfy h LYS 68 CO 0.09 -0.08 -0.20 0.52 -0.57 0.00 0.00 179.45 179.22 2kfy h MET 69 N -0.12 0.00 0.00 3.15 2.86 -1.20 -2.42 114.93 117.21 2kfy h MET 69 Ca 0.07 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.57 2kfy h MET 69 Cb 0.21 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.85 2kfy h MET 69 CO -0.16 0.20 -0.64 0.00 1.06 0.00 0.00 176.91 177.36 2kfy h ALA 70 N 1.80 0.85 0.00 6.32 0.00 -0.62 -3.04 119.26 124.56 2kfy h ALA 70 Ca -0.00 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.32 2kfy h ALA 70 Cb 0.39 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2kfy h ALA 70 CO 0.03 0.81 0.00 1.28 0.00 0.00 0.00 179.25 181.36 2kfy n LEU 71 N -3.64 0.75 0.01 0.00 4.77 -0.80 -3.50 117.00 114.59 2kfy n LEU 71 Ca -0.01 0.57 0.07 0.00 -0.03 0.00 0.00 56.01 56.62 2kfy n LEU 71 Cb 0.67 -0.34 0.31 0.00 -2.33 0.00 0.00 43.42 41.72 2kfy n LEU 71 CO 0.42 -0.19 0.73 0.29 -1.33 0.00 0.00 177.39 177.31 2kfy n LYS 72 N -2.20 0.02 -1.51 3.23 4.76 -1.13 -3.11 118.16 118.21 2kfy n LYS 72 Ca 0.06 0.28 0.00 0.00 -2.87 0.00 0.00 58.31 55.77 2kfy n LYS 72 Cb 0.41 -1.53 0.09 0.00 -1.84 0.00 0.00 35.03 32.16 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 -1.56 1.31 0.00 1.97 0.00 -1.23 -4.93 118.16 113.72 2kfy n LYS 73 Ca 0.03 -2.98 0.00 0.00 -0.00 0.00 0.00 58.31 55.37 2kfy n LYS 73 Cb 0.17 -1.11 0.00 0.00 -0.00 0.00 0.00 35.03 34.09 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 -0.37 0.00 -0.74 -5.58 5.68 -1.18 -1.99 116.55 112.36 2kfy n ASP 74 Ca 0.16 0.19 -0.02 0.00 -0.50 0.00 0.00 54.79 54.62 2kfy n ASP 74 Cb 0.92 -0.19 -0.02 0.00 -1.14 0.00 0.00 41.12 40.69 2kfy n ASP 74 CO 0.00 0.00 0.00 -2.11 -1.33 0.00 0.00 177.20 173.76 2kfy n ARG 75 N -1.13 0.00 0.00 0.11 1.85 -1.26 -1.92 116.66 114.31 2kfy n ARG 75 Ca 0.00 -0.61 0.00 0.00 -1.00 0.00 0.00 57.85 56.24 2kfy n ARG 75 Cb 0.17 0.10 0.00 0.00 -1.05 0.00 0.00 32.46 31.68 2kfy n ARG 75 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 2kfy n GLU 76 N 0.04 1.21 -3.89 2.89 -0.58 -0.84 -4.54 120.64 114.92 2kfy n GLU 76 Ca -0.09 0.00 -0.11 0.00 -0.42 0.00 0.00 57.16 56.55 2kfy n GLU 76 Cb 0.64 0.00 -0.10 0.00 -0.57 0.00 0.00 31.44 31.41 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 -1.31 0.06 0.13 1.62 0.15 -1.26 -1.12 113.70 111.97 2kfy s SER 77 Ca 0.00 -0.24 0.22 0.00 0.70 0.00 0.00 55.95 56.63 2kfy s SER 77 Cb 0.00 0.18 0.88 0.00 -1.71 0.00 0.00 66.02 65.37 2kfy s SER 77 CO 0.00 -0.32 1.68 0.23 1.20 0.00 0.00 173.24 176.02 2kfy n MET 78 N 1.62 0.11 0.00 5.44 2.81 -1.20 -4.83 117.12 121.07 2kfy n MET 78 Ca -0.22 0.26 0.00 0.00 -1.81 0.00 0.00 57.70 55.93 2kfy n MET 78 Cb 0.56 -1.68 0.00 0.00 -0.71 0.00 0.00 33.22 31.39 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 0.46 1.05 0.00 3.03 0.00 -1.26 -4.94 105.19 103.52 2kfy n GLY 79 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 2kfy n GLY 79 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2kfy n HIS 80 N 0.00 0.00 -3.61 1.61 8.25 -1.26 -5.13 115.22 115.08 2kfy n HIS 80 Ca 0.00 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.30 2kfy n HIS 80 Cb 0.00 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.04 2kfy n HIS 80 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 2kfy s ARG 81 N 0.00 0.89 0.14 -0.41 6.06 -1.26 -5.14 118.95 119.22 2kfy s ARG 81 Ca 0.00 0.25 -0.31 0.00 -2.50 0.00 0.00 55.73 53.16 2kfy s ARG 81 Cb 0.00 0.42 -0.10 0.00 0.06 0.00 0.00 34.95 35.33 2kfy s ARG 81 CO 0.00 -0.24 1.60 -0.47 -2.50 0.00 0.00 175.30 173.69 2kfy s TYR 82 N -0.94 2.86 0.32 5.12 5.04 -1.26 -3.26 117.35 125.22 2kfy s TYR 82 Ca -0.10 0.52 0.10 0.00 -2.44 0.00 0.00 57.07 55.15 2kfy s TYR 82 Cb -0.02 -3.95 -0.06 0.00 0.35 0.00 0.00 41.96 38.28 2kfy s TYR 82 CO 0.07 -3.61 -0.11 0.42 -1.34 0.00 0.00 175.55 170.97 2kfy s ILE 83 N 1.59 2.20 0.04 3.14 -1.09 -0.27 -3.14 121.20 123.65 2kfy s ILE 83 Ca 0.72 -2.24 -0.11 0.00 -2.23 0.00 0.00 60.65 56.79 2kfy s ILE 83 Cb -0.43 -2.53 0.01 0.00 -1.58 0.00 0.00 42.46 37.93 2kfy s ILE 83 CO 0.32 -0.27 0.23 -1.61 -1.23 0.00 0.00 174.94 172.38 2kfy s GLU 84 N -3.61 0.72 0.06 2.79 2.02 0.73 -3.81 118.70 117.60 2kfy s GLU 84 Ca 0.31 -0.57 -0.08 0.00 0.02 0.00 0.00 54.97 54.65 2kfy s GLU 84 Cb 0.01 0.30 -0.00 0.00 0.10 0.00 0.00 34.13 34.54 2kfy s GLU 84 CO 0.15 -0.21 0.16 0.08 0.02 0.00 0.00 175.26 175.46 2kfy s VAL 85 N -2.48 0.13 0.21 2.63 1.01 -0.81 -1.59 120.40 119.51 2kfy s VAL 85 Ca -0.06 -1.08 -0.19 0.00 0.00 0.00 0.00 61.98 60.65 2kfy s VAL 85 Cb -0.01 -1.08 0.03 0.00 0.00 0.00 0.00 36.38 35.32 2kfy s VAL 85 CO -0.03 -0.60 0.59 0.12 0.00 0.00 0.00 175.10 175.18 2kfy s PHE 86 N -3.08 -0.20 0.42 5.22 5.36 -1.01 -4.73 117.98 119.96 2kfy s PHE 86 Ca -0.01 -0.15 -0.17 0.00 -0.96 0.00 0.00 56.93 55.64 2kfy s PHE 86 Cb 0.01 0.51 -0.09 0.00 -0.34 0.00 0.00 43.02 43.11 2kfy s PHE 86 CO -0.07 -1.00 0.89 0.21 -1.46 0.00 0.00 175.22 173.79 2kfy s LYS 87 N -3.87 4.06 0.33 10.12 2.20 -1.26 -0.26 119.74 131.06 2kfy s LYS 87 Ca 0.09 0.90 -0.05 0.00 -0.36 0.00 0.00 55.97 56.55 2kfy s LYS 87 Cb -0.02 -2.25 0.00 0.00 -1.51 0.00 0.00 37.83 34.05 2kfy s LYS 87 CO -0.02 -0.04 0.48 0.45 -0.36 0.00 0.00 175.35 175.87 2kfy s SER 88 N -2.52 0.67 0.00 1.43 0.15 -0.67 -4.54 113.70 108.24 2kfy s SER 88 Ca 0.58 -1.38 0.00 0.00 0.70 0.00 0.00 55.95 55.86 2kfy s SER 88 Cb -0.10 0.65 0.00 0.00 -1.71 0.00 0.00 66.02 64.87 2kfy s SER 88 CO 0.20 -1.29 0.44 0.00 1.20 0.00 0.00 173.24 173.80 2kfy n HIS 89 N -0.52 0.00 0.00 3.44 1.44 -1.26 -3.89 115.22 114.43 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 0.62 0.06 0.00 0.00 0.12 0.00 0.00 29.99 30.79 2kfy n HIS 89 CO 0.00 0.00 0.00 -2.13 -2.81 0.00 0.00 176.34 171.40 2kfy n ARG 90 N 0.00 0.00 -0.12 -1.40 0.63 -1.26 -3.97 116.66 110.55 2kfy n ARG 90 Ca 0.00 0.00 -0.11 0.00 -0.92 0.00 0.00 57.85 56.82 2kfy n ARG 90 Cb 0.53 -0.33 0.02 0.00 0.45 0.00 0.00 32.46 33.13 2kfy n ARG 90 CO 0.00 0.00 0.00 1.15 -2.51 0.00 0.00 177.63 176.27 2kfy h THR 91 N 0.00 1.27 -0.37 5.15 2.02 -1.99 -2.00 112.91 116.98 2kfy h THR 91 Ca 0.00 -1.46 -0.13 0.00 0.77 0.00 0.00 66.41 65.59 2kfy h THR 91 Cb 0.00 1.28 -0.01 0.00 -1.74 0.00 0.00 68.15 67.67 2kfy h THR 91 CO 0.00 0.49 -0.30 -0.08 0.37 0.00 0.00 175.52 176.00 2kfy h GLU 92 N 0.75 0.80 -0.44 6.66 4.57 -2.00 -2.93 114.58 122.00 2kfy h GLU 92 Ca 0.08 -0.37 0.05 0.00 -1.18 0.00 0.00 59.36 57.94 2kfy h GLU 92 Cb 0.86 -0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 29.39 2kfy h GLU 92 CO 0.08 1.00 0.18 1.98 -1.18 0.00 0.00 179.01 181.06 2kfy h MET 93 N 0.68 0.36 -0.01 1.92 4.05 -1.86 -1.85 114.93 118.22 2kfy h MET 93 Ca 0.08 -0.02 -0.06 0.00 -0.28 0.00 0.00 59.70 59.41 2kfy h MET 93 Cb 0.84 -0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 31.55 2kfy h MET 93 CO 0.07 0.24 -0.30 0.22 0.23 0.00 0.00 176.91 177.37 2kfy h ASP 94 N 0.37 0.01 1.23 1.39 3.58 -1.33 -0.13 116.42 121.54 2kfy h ASP 94 Ca 0.20 -0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.63 2kfy h ASP 94 Cb 0.16 -0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.21 2kfy h ASP 94 CO -0.18 0.31 -0.10 -0.25 -2.88 0.00 0.00 179.24 176.14 2kfy h TRP 95 N 0.01 0.00 0.00 0.28 7.01 -1.15 -3.29 115.95 118.81 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 0.53 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.59 2kfy h TRP 95 CO 0.00 0.10 -0.37 1.55 -2.79 0.00 0.00 178.44 176.94 2kfy n VAL 96 N -3.20 0.00 0.91 2.65 3.14 -1.08 -4.18 118.33 116.57 2kfy n VAL 96 Ca 0.01 -0.34 0.09 0.00 -2.96 0.00 0.00 64.34 61.14 2kfy n VAL 96 Cb 0.42 0.85 0.48 0.00 -1.06 0.00 0.00 33.84 34.53 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 -1.19 0.00 0.00 6.55 7.99 -0.08 -3.29 117.00 126.98 2kfy n LEU 97 Ca 0.00 0.27 0.00 0.00 -0.01 0.00 0.00 56.01 56.27 2kfy n LEU 97 Cb 0.04 -0.27 0.00 0.00 -0.11 0.00 0.00 43.42 43.08 2kfy n LEU 97 CO 0.04 -0.10 0.19 0.29 -1.51 0.00 0.00 177.39 176.30 2kfy n LYS 98 N -1.27 0.16 -3.61 3.23 5.02 -1.25 -5.04 118.16 115.39 2kfy n LYS 98 Ca 0.09 -0.46 -0.15 0.00 -2.02 0.00 0.00 58.31 55.77 2kfy n LYS 98 Cb 0.15 -0.71 -0.07 0.00 -0.02 0.00 0.00 35.03 34.37 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 -0.15 -0.68 0.23 2.13 5.04 -1.21 -5.13 115.29 115.53 2kfy s HIS 99 Ca 0.00 1.51 -0.11 0.00 -1.54 0.00 0.00 55.06 54.91 2kfy s HIS 99 Cb 0.00 0.29 -0.01 0.00 0.04 0.00 0.00 32.58 32.91 2kfy s HIS 99 CO 0.00 -0.43 0.42 -1.12 -2.34 0.00 0.00 174.74 171.26 2kfy s SER 100 N -0.21 -0.06 0.03 9.88 0.01 -1.26 -4.35 113.70 117.75 2kfy s SER 100 Ca -0.04 -0.94 -0.27 0.00 1.31 0.00 0.00 55.95 56.00 2kfy s SER 100 Cb -0.03 0.54 0.09 0.00 0.21 0.00 0.00 66.02 66.84 2kfy s SER 100 CO 0.04 -1.07 1.22 -0.83 0.41 0.00 0.00 173.24 173.01 2kfy s GLY 101 N -3.02 -0.11 0.00 3.44 0.00 -1.26 -5.15 107.32 101.23 2kfy s GLY 101 Ca 0.23 0.04 0.15 0.00 0.00 0.00 0.00 44.72 45.14 2kfy s GLY 101 CO 0.07 4.05 1.34 -1.55 0.00 0.00 0.00 173.10 177.01