#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 -2.45 0.00 0.03 0.00 -1.26 -4.95 117.12 108.49 2kfy n MET 2 Ca 0.00 1.63 0.00 0.00 0.00 0.00 0.00 57.70 59.33 2kfy n MET 2 Cb 0.00 -2.99 0.00 0.00 0.00 0.00 0.00 33.22 30.23 2kfy n MET 2 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 175.97 175.86 2kfy n LEU 3 N -3.65 0.00 -2.67 4.03 7.94 -1.26 -5.01 117.00 116.38 2kfy n LEU 3 Ca 0.01 0.00 -0.04 0.00 -1.11 0.00 0.00 56.01 54.87 2kfy n LEU 3 Cb 0.64 0.00 0.05 0.00 0.53 0.00 0.00 43.42 44.64 2kfy n LEU 3 CO 0.01 0.00 0.64 0.61 -1.11 0.00 0.00 177.39 177.54 2kfy n GLY 4 N 0.00 -0.75 0.21 -3.96 0.00 -1.26 -5.02 105.19 94.41 2kfy n GLY 4 Ca 0.00 0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.31 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 -0.11 0.52 -0.02 1.61 -0.04 -1.26 -0.44 135.00 135.26 2kfy n PRO 5 Ca -0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.30 2kfy n PRO 5 Cb 0.71 -1.11 0.00 0.00 -0.04 0.00 0.00 33.50 33.06 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 -0.18 0.00 -0.10 0.54 2.13 -1.26 -4.87 120.64 116.89 2kfy n GLU 6 Ca 0.00 -0.51 0.00 0.00 0.66 0.00 0.00 57.16 57.31 2kfy n GLU 6 Cb 0.06 -0.48 0.00 0.00 0.27 0.00 0.00 31.44 31.28 2kfy n GLU 6 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2kfy n GLY 7 N 0.00 0.54 0.00 8.31 0.00 -0.90 -5.16 105.19 107.98 2kfy n GLY 7 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 1.65 2.18 -0.02 0.00 0.41 -4.98 105.19 104.43 2kfy n GLY 8 Ca 0.00 -0.77 -0.13 0.00 0.00 0.00 0.00 46.02 45.13 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 -1.40 -3.78 1.61 1.02 -1.21 -4.53 120.64 112.35 2kfy n GLU 9 Ca 0.00 0.79 0.00 0.00 -0.02 0.00 0.00 57.16 57.94 2kfy n GLU 9 Cb 0.00 -5.01 0.00 0.00 -0.02 0.00 0.00 31.44 26.41 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 -2.12 -0.23 -1.53 0.62 0.00 -1.25 -4.60 107.32 98.22 2kfy s GLY 10 Ca 0.00 0.27 0.00 0.00 0.00 0.00 0.00 44.72 44.99 2kfy s GLY 10 CO 0.00 2.00 0.00 0.69 0.00 0.00 0.00 173.10 175.79 2kfy n PHE 11 N -0.64 -0.76 -3.98 1.90 3.72 -1.26 -4.93 117.46 111.51 2kfy n PHE 11 Ca -0.04 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.24 2kfy n PHE 11 Cb 0.61 -3.45 -0.13 0.00 -0.94 0.00 0.00 39.48 35.57 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 -2.85 0.17 0.06 -4.37 1.01 -1.26 0.57 120.40 113.73 2kfy s VAL 12 Ca 0.00 -0.43 -0.01 0.00 0.00 0.00 0.00 61.98 61.54 2kfy s VAL 12 Cb 0.00 -0.22 -0.04 0.00 0.00 0.00 0.00 36.38 36.12 2kfy s VAL 12 CO 0.00 -0.17 -0.03 0.68 0.00 0.00 0.00 175.10 175.59 2kfy s VAL 13 N -0.60 0.25 0.35 2.92 -7.23 -0.52 -1.35 120.40 114.21 2kfy s VAL 13 Ca -0.05 -1.83 0.01 0.00 -1.81 0.00 0.00 61.98 58.30 2kfy s VAL 13 Cb -0.04 -1.58 -0.03 0.00 0.56 0.00 0.00 36.38 35.29 2kfy s VAL 13 CO -0.00 -0.95 0.54 -0.54 -0.31 0.00 0.00 175.10 173.84 2kfy s LYS 14 N -3.92 3.43 0.00 4.82 1.02 0.86 -0.41 119.74 125.54 2kfy s LYS 14 Ca 0.09 -0.41 0.02 0.00 0.02 0.00 0.00 55.97 55.69 2kfy s LYS 14 Cb 0.08 -2.68 -0.01 0.00 -0.52 0.00 0.00 37.83 34.70 2kfy s LYS 14 CO -0.09 0.13 -0.06 -1.17 -0.92 0.00 0.00 175.35 173.24 2kfy s LEU 15 N -4.31 2.04 0.16 3.17 1.98 0.29 -2.85 118.68 119.17 2kfy s LEU 15 Ca 0.40 -0.16 -0.16 0.00 -2.89 0.00 0.00 54.13 51.32 2kfy s LEU 15 Cb -0.10 -0.30 0.03 0.00 0.66 0.00 0.00 46.19 46.48 2kfy s LEU 15 CO 0.35 0.05 0.45 -0.60 -1.89 0.00 0.00 176.35 174.71 2kfy s ARG 16 N -0.31 1.23 0.00 1.98 3.52 -0.27 -1.28 118.95 123.83 2kfy s ARG 16 Ca 0.01 -0.84 0.00 0.00 -0.13 0.00 0.00 55.73 54.77 2kfy s ARG 16 Cb -0.03 0.48 0.00 0.00 -1.56 0.00 0.00 34.95 33.84 2kfy s ARG 16 CO -0.00 -0.50 0.00 0.41 -0.81 0.00 0.00 175.30 174.40 2kfy n GLY 17 N -0.28 -1.31 0.73 8.12 0.00 -1.26 -0.35 105.19 110.84 2kfy n GLY 17 Ca -0.12 -2.09 0.09 0.00 0.00 0.00 0.00 46.02 43.90 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 -0.42 -0.99 0.99 4.77 -1.16 -3.92 117.00 116.28 2kfy n LEU 18 Ca 0.00 0.94 0.00 0.00 -0.03 0.00 0.00 56.01 56.92 2kfy n LEU 18 Cb 0.00 -2.30 0.00 0.00 -2.33 0.00 0.00 43.42 38.79 2kfy n LEU 18 CO 0.00 -1.64 0.00 -2.65 -1.33 0.00 0.00 177.39 171.77 2kfy n PRO 19 N -3.19 0.00 -2.85 3.23 -0.02 -1.26 -4.62 135.00 126.29 2kfy n PRO 19 Ca -0.01 0.00 -0.17 0.00 -2.02 0.00 0.00 63.50 61.30 2kfy n PRO 19 Cb 0.34 -1.28 -0.00 0.00 -0.02 0.00 0.00 33.50 32.54 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 0.84 -1.62 -3.72 6.00 8.01 -1.25 -4.89 117.44 120.81 2kfy n TRP 20 Ca 0.00 0.23 -0.13 0.00 -1.31 0.00 0.00 57.50 56.29 2kfy n TRP 20 Cb 0.00 -2.95 -0.10 0.00 -2.01 0.00 0.00 31.31 26.24 2kfy n TRP 20 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.69 177.13 2kfy s SER 21 N -2.36 -0.45 0.28 -0.99 0.15 -1.26 -2.40 113.70 106.68 2kfy s SER 21 Ca 0.18 0.85 -0.20 0.00 0.70 0.00 0.00 55.95 57.48 2kfy s SER 21 Cb -0.09 0.84 0.05 0.00 -1.71 0.00 0.00 66.02 65.11 2kfy s SER 21 CO 0.22 -0.15 0.84 0.00 1.20 0.00 0.00 173.24 175.35 2kfy s SER 23 N -3.06 0.28 0.60 0.00 0.01 -1.26 -5.05 113.70 105.22 2kfy s SER 23 Ca 0.15 -0.99 0.39 0.00 1.31 0.00 0.00 55.95 56.80 2kfy s SER 23 Cb -0.04 0.30 1.90 0.00 0.21 0.00 0.00 66.02 68.39 2kfy s SER 23 CO 0.07 -0.72 2.17 -0.37 0.41 0.00 0.00 173.24 174.80 2kfy h VAL 24 N 2.86 0.00 0.00 3.43 -1.51 -2.00 -2.16 116.25 116.87 2kfy h VAL 24 Ca -0.34 -0.24 -0.10 0.00 -1.23 0.00 0.00 66.70 64.79 2kfy h VAL 24 Cb 1.19 1.23 -0.01 0.00 -2.13 0.00 0.00 31.29 31.57 2kfy h VAL 24 CO 0.58 0.00 -0.59 -0.33 -1.23 0.00 0.00 177.57 176.00 2kfy h GLU 25 N 0.00 0.00 0.12 5.19 5.08 -1.99 -3.01 114.58 119.97 2kfy h GLU 25 Ca 0.00 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.05 2kfy h GLU 25 Cb 0.25 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 2kfy h GLU 25 CO 0.00 0.39 -1.55 -0.44 -1.00 0.00 0.00 179.01 176.41 2kfy h ASP 26 N 0.00 0.39 -0.07 1.42 3.32 -1.81 -2.80 116.42 116.87 2kfy h ASP 26 Ca -0.03 -0.55 -0.14 0.00 0.02 0.00 0.00 57.03 56.33 2kfy h ASP 26 Cb 1.35 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.76 2kfy h ASP 26 CO 0.05 1.46 -0.42 1.62 -1.72 0.00 0.00 179.24 180.24 2kfy h VAL 27 N 0.07 1.30 0.00 -1.35 3.04 -1.62 -2.19 116.25 115.50 2kfy h VAL 27 Ca -0.25 -1.59 -0.11 0.00 -1.01 0.00 0.00 66.70 63.74 2kfy h VAL 27 Cb 2.02 1.56 -0.02 0.00 -2.01 0.00 0.00 31.29 32.84 2kfy h VAL 27 CO 0.16 0.50 -0.52 0.06 -1.01 0.00 0.00 177.57 176.76 2kfy h GLN 28 N 0.49 0.00 0.00 4.17 3.07 -1.64 -2.33 115.11 118.87 2kfy h GLN 28 Ca 0.04 0.00 -0.04 0.00 0.09 0.00 0.00 58.65 58.73 2kfy h GLN 28 Cb 0.93 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.49 2kfy h GLN 28 CO 0.08 0.52 -0.21 -0.97 0.09 0.00 0.00 178.83 178.34 2kfy h ASN 29 N 0.00 0.00 0.46 0.06 -1.24 -1.21 -3.18 115.58 110.46 2kfy h ASN 29 Ca -0.01 0.00 -0.05 0.00 0.71 0.00 0.00 56.30 56.96 2kfy h ASN 29 Cb 1.16 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 40.20 2kfy h ASN 29 CO 0.07 0.21 -1.59 0.33 -1.29 0.00 0.00 177.43 175.17 2kfy n PHE 30 N -3.57 0.48 -2.76 0.67 7.35 -0.85 -4.23 117.46 114.55 2kfy n PHE 30 Ca -0.01 0.15 -0.40 0.00 -0.76 0.00 0.00 57.45 56.43 2kfy n PHE 30 Cb 0.36 -0.78 0.01 0.00 0.35 0.00 0.00 39.48 39.42 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 -2.53 6.82 -4.53 -2.13 4.32 -0.90 -5.03 117.00 113.04 2kfy n LEU 31 Ca -0.05 -5.39 -0.36 0.00 -0.02 0.00 0.00 56.01 50.19 2kfy n LEU 31 Cb 0.64 -1.11 0.07 0.00 -1.62 0.00 0.00 43.42 41.40 2kfy n LEU 31 CO 0.43 2.02 0.25 -1.54 -1.22 0.00 0.00 177.39 177.33 2kfy n SER 32 N 0.20 -0.51 0.00 -1.43 3.41 -1.25 -2.27 113.62 111.77 2kfy n SER 32 Ca 0.41 0.64 0.00 0.00 -0.26 0.00 0.00 58.87 59.66 2kfy n SER 32 Cb 0.29 -1.29 0.00 0.00 -0.26 0.00 0.00 64.21 62.95 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 -0.77 0.00 -3.85 4.04 8.00 -1.26 -4.94 116.55 117.77 2kfy n ASP 33 Ca 0.11 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.31 2kfy n ASP 33 Cb 0.49 -2.09 0.22 0.00 -0.02 0.00 0.00 41.12 39.73 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 -4.37 0.00 -1.83 0.00 -1.04 -1.26 -5.02 114.28 100.76 2kfy n THR 35 Ca 0.15 -0.05 -0.15 0.00 -2.04 0.00 0.00 64.05 61.96 2kfy n THR 35 Cb 0.59 0.48 -0.04 0.00 -1.82 0.00 0.00 70.33 69.54 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 -1.20 -0.29 0.00 12.58 5.41 -1.26 -3.26 119.36 131.34 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 -1.76 0.00 0.00 -0.71 0.00 0.00 39.64 37.17 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 -2.65 0.00 -1.63 1.39 -0.00 -1.15 -2.29 115.22 108.90 2kfy n HIS 37 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.55 2kfy n HIS 37 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.55 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 0.84 0.00 0.00 0.26 8.00 -1.22 -4.91 116.55 119.52 2kfy n ASP 38 Ca 0.00 -1.00 0.00 0.00 0.71 0.00 0.00 54.79 54.50 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 0.00 1.91 0.00 0.44 0.00 -0.97 -3.85 105.19 102.72 2kfy n GLY 39 Ca 0.00 -0.63 0.01 0.00 0.00 0.00 0.00 46.02 45.40 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 7.40 1.65 -1.28 4.61 0.00 -1.26 -1.26 120.51 130.37 2kfy n ALA 40 Ca 0.00 -0.01 0.06 0.00 0.00 0.00 0.00 53.44 53.49 2kfy n ALA 40 Cb 0.00 -1.03 0.08 0.00 0.00 0.00 0.00 19.45 18.50 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 -0.73 2.13 -0.67 0.00 0.00 -1.25 -4.66 120.51 115.32 2kfy n ALA 41 Ca 0.02 -1.97 0.00 0.00 0.00 0.00 0.00 53.44 51.49 2kfy n ALA 41 Cb 0.01 -0.38 0.00 0.00 0.00 0.00 0.00 19.45 19.08 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 -0.90 0.07 3.81 0.00 0.00 -0.39 -4.63 105.19 103.15 2kfy n GLY 42 Ca 0.10 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.03 3.73 0.12 1.61 0.11 -1.22 -2.83 120.40 121.89 2kfy s VAL 43 Ca 0.00 0.56 -0.13 0.00 -2.93 0.00 0.00 61.98 59.48 2kfy s VAL 43 Cb 0.00 -3.26 0.02 0.00 -1.53 0.00 0.00 36.38 31.61 2kfy s VAL 43 CO 0.00 -0.73 0.33 -1.00 -3.33 0.00 0.00 175.10 170.37 2kfy s HIS 44 N -3.04 -0.06 0.27 1.54 3.76 -0.93 -4.95 115.29 111.88 2kfy s HIS 44 Ca 0.59 -0.30 -0.03 0.00 -0.15 0.00 0.00 55.06 55.17 2kfy s HIS 44 Cb -0.15 0.15 -0.02 0.00 1.11 0.00 0.00 32.58 33.67 2kfy s HIS 44 CO 0.55 -0.66 0.34 -0.06 -0.85 0.00 0.00 174.74 174.06 2kfy s PHE 45 N -3.83 1.00 -0.15 1.40 0.08 -1.26 -3.04 117.98 112.19 2kfy s PHE 45 Ca 0.04 -1.22 -0.01 0.00 0.12 0.00 0.00 56.93 55.86 2kfy s PHE 45 Cb 0.03 -0.25 0.04 0.00 -0.57 0.00 0.00 43.02 42.27 2kfy s PHE 45 CO -0.11 -0.90 -0.02 0.42 -0.10 0.00 0.00 175.22 174.51 2kfy s ILE 46 N -3.72 0.78 -0.02 0.64 1.01 -0.87 -4.83 121.20 114.18 2kfy s ILE 46 Ca 0.33 -0.40 -0.29 0.00 0.00 0.00 0.00 60.65 60.29 2kfy s ILE 46 Cb 0.02 -1.02 0.10 0.00 0.01 0.00 0.00 42.46 41.57 2kfy s ILE 46 CO 0.16 0.10 0.84 -0.72 0.00 0.00 0.00 174.94 175.31 2kfy s TYR 47 N 1.78 -0.43 0.35 3.97 -0.85 -1.26 -4.14 117.35 116.77 2kfy s TYR 47 Ca 0.02 0.47 -0.04 0.00 -0.52 0.00 0.00 57.07 56.99 2kfy s TYR 47 Cb -0.15 0.50 0.01 0.00 0.38 0.00 0.00 41.96 42.70 2kfy s TYR 47 CO -0.07 -0.55 0.52 0.95 -1.52 0.00 0.00 175.55 174.88 2kfy s THR 48 N -2.44 0.00 -2.00 -3.49 -4.23 0.25 -4.85 115.64 98.88 2kfy s THR 48 Ca 0.00 -1.51 0.05 0.00 -1.18 0.00 0.00 61.69 59.05 2kfy s THR 48 Cb -0.01 -2.67 0.15 0.00 1.34 0.00 0.00 72.50 71.31 2kfy s THR 48 CO -0.04 0.00 0.70 -2.11 -0.54 0.00 0.00 174.62 172.63 2kfy n ARG 49 N -0.56 0.33 0.00 3.99 -4.01 -1.26 -2.91 116.66 112.24 2kfy n ARG 49 Ca -0.00 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.81 2kfy n ARG 49 Cb 0.61 -1.25 0.00 0.00 -3.04 0.00 0.00 32.46 28.78 2kfy n ARG 49 CO 0.00 0.00 0.00 -0.85 -3.04 0.00 0.00 177.63 173.74 2kfy n GLU 50 N -0.75 0.00 0.00 2.89 0.28 -1.26 -5.11 120.64 116.69 2kfy n GLU 50 Ca 0.04 -0.04 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 2kfy n GLU 50 Cb 0.02 -0.37 0.00 0.00 1.43 0.00 0.00 31.44 32.52 2kfy n GLU 50 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2kfy n GLY 51 N 0.00 2.83 0.00 -1.84 0.00 -1.14 -4.00 105.19 101.03 2kfy n GLY 51 Ca 0.00 -0.37 0.00 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 -0.68 0.00 -1.41 1.61 1.85 -1.25 -0.59 116.66 116.19 2kfy n ARG 52 Ca 0.00 -0.04 -0.15 0.00 -1.00 0.00 0.00 57.85 56.66 2kfy n ARG 52 Cb 0.00 -0.46 -0.06 0.00 -1.05 0.00 0.00 32.46 30.89 2kfy n ARG 52 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 2kfy n GLN 53 N 0.00 -1.40 -1.18 2.89 1.13 -1.26 -4.94 117.38 112.62 2kfy n GLN 53 Ca 0.00 0.90 -0.30 0.00 -1.94 0.00 0.00 57.00 55.66 2kfy n GLN 53 Cb 0.27 -5.18 0.24 0.00 0.11 0.00 0.00 30.24 25.68 2kfy n GLN 53 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 2kfy s SER 54 N -2.29 0.98 0.00 1.08 1.04 -1.26 -4.73 113.70 108.52 2kfy s SER 54 Ca 0.00 0.52 0.23 0.00 0.48 0.00 0.00 55.95 57.18 2kfy s SER 54 Cb 0.00 -0.68 0.87 0.00 0.10 0.00 0.00 66.02 66.31 2kfy s SER 54 CO 0.00 -4.08 1.62 0.61 0.98 0.00 0.00 173.24 172.38 2kfy n GLY 55 N -1.29 0.17 3.78 7.32 0.00 -1.01 -4.68 105.19 109.48 2kfy n GLY 55 Ca 0.14 -0.43 -0.41 0.00 0.00 0.00 0.00 46.02 45.33 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 -1.87 4.05 0.23 1.61 2.02 -1.26 -4.68 118.70 118.81 2kfy s GLU 56 Ca 0.34 2.58 -0.12 0.00 0.02 0.00 0.00 54.97 57.79 2kfy s GLU 56 Cb 0.19 -2.93 0.05 0.00 0.10 0.00 0.00 34.13 31.53 2kfy s GLU 56 CO 0.29 -0.58 0.64 0.00 0.02 0.00 0.00 175.26 175.62 2kfy n ALA 57 N 0.38 -1.53 -2.16 5.21 0.00 -0.40 -2.04 120.51 119.97 2kfy n ALA 57 Ca 0.01 -0.85 -0.10 0.00 0.00 0.00 0.00 53.44 52.50 2kfy n ALA 57 Cb 0.39 0.61 -0.10 0.00 0.00 0.00 0.00 19.45 20.36 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 -3.75 0.89 -0.18 0.00 0.08 -1.17 -0.55 117.98 113.31 2kfy s PHE 58 Ca 0.13 -1.20 -0.04 0.00 0.12 0.00 0.00 56.93 55.95 2kfy s PHE 58 Cb -0.03 -0.51 0.08 0.00 -0.57 0.00 0.00 43.02 42.00 2kfy s PHE 58 CO 0.07 -0.47 0.21 0.08 -0.10 0.00 0.00 175.22 175.01 2kfy s VAL 59 N -3.99 -0.32 0.45 -0.44 1.01 0.45 -2.19 120.40 115.38 2kfy s VAL 59 Ca 0.23 -0.01 -0.21 0.00 0.00 0.00 0.00 61.98 62.00 2kfy s VAL 59 Cb 0.07 -0.60 -0.10 0.00 0.00 0.00 0.00 36.38 35.76 2kfy s VAL 59 CO 0.01 -0.12 0.99 -1.61 0.00 0.00 0.00 175.10 174.37 2kfy s GLU 60 N 2.33 4.05 0.00 2.72 2.02 -1.13 -1.44 118.70 127.24 2kfy s GLU 60 Ca 0.06 1.22 0.00 0.00 0.02 0.00 0.00 54.97 56.27 2kfy s GLU 60 Cb -0.15 -2.14 0.00 0.00 0.10 0.00 0.00 34.13 31.94 2kfy s GLU 60 CO -0.11 -0.20 0.00 1.28 0.02 0.00 0.00 175.26 176.25 2kfy n LEU 61 N -0.78 0.00 -0.00 1.80 4.77 0.19 -2.92 117.00 120.06 2kfy n LEU 61 Ca 0.08 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 56.07 2kfy n LEU 61 Cb 0.53 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.61 2kfy n LEU 61 CO 0.38 0.00 -0.54 0.61 -1.33 0.00 0.00 177.39 176.51 2kfy n GLY 62 N 3.36 -0.10 3.49 -0.72 0.00 -1.26 -4.12 105.19 105.83 2kfy n GLY 62 Ca 0.00 -0.05 -0.10 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.48 -0.05 0.43 1.61 0.01 -1.26 -5.03 113.70 106.93 2kfy s SER 63 Ca -0.01 -0.92 0.09 0.00 1.31 0.00 0.00 55.95 56.42 2kfy s SER 63 Cb 0.01 0.53 0.95 0.00 0.21 0.00 0.00 66.02 67.72 2kfy s SER 63 CO 0.09 -1.05 2.07 -0.08 0.41 0.00 0.00 173.24 174.68 2kfy h GLU 64 N 2.35 0.39 0.00 12.44 4.81 -1.97 -1.85 114.58 130.75 2kfy h GLU 64 Ca -0.29 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 58.87 2kfy h GLU 64 Cb 1.25 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.53 2kfy h GLU 64 CO 0.40 0.28 -0.23 0.22 -0.73 0.00 0.00 179.01 178.95 2kfy h ASP 65 N 0.40 0.00 0.03 1.04 3.58 -1.99 -1.16 116.42 118.32 2kfy h ASP 65 Ca 0.11 0.00 -0.24 0.00 0.42 0.00 0.00 57.03 57.32 2kfy h ASP 65 Cb -0.01 0.00 0.02 0.00 1.72 0.00 0.00 39.33 41.06 2kfy h ASP 65 CO -0.02 0.23 -0.94 0.44 -2.88 0.00 0.00 179.24 176.07 2kfy h ASP 66 N 0.00 0.78 -0.39 2.28 3.32 -1.71 -2.37 116.42 118.33 2kfy h ASP 66 Ca -0.00 -0.77 -0.14 0.00 0.02 0.00 0.00 57.03 56.14 2kfy h ASP 66 Cb 0.44 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 2kfy h ASP 66 CO 0.03 1.45 -0.30 1.62 -1.72 0.00 0.00 179.24 180.32 2kfy h VAL 67 N 0.19 1.27 -0.60 -1.35 3.04 -1.32 -1.47 116.25 116.01 2kfy h VAL 67 Ca -0.13 -1.47 -0.01 0.00 -1.01 0.00 0.00 66.70 64.09 2kfy h VAL 67 Cb 1.62 1.27 -0.03 0.00 -2.01 0.00 0.00 31.29 32.14 2kfy h VAL 67 CO 0.18 0.50 0.33 0.11 -1.01 0.00 0.00 177.57 177.68 2kfy h LYS 68 N 0.78 0.84 -0.09 4.17 1.57 -1.29 -2.57 116.57 119.99 2kfy h LYS 68 Ca 0.08 -0.10 -0.07 0.00 -1.87 0.00 0.00 60.65 58.70 2kfy h LYS 68 Cb 0.88 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 33.01 2kfy h LYS 68 CO 0.08 0.63 -0.26 0.52 -0.57 0.00 0.00 179.45 179.86 2kfy h MET 69 N 0.82 0.15 0.00 3.15 2.86 -1.17 -2.61 114.93 118.12 2kfy h MET 69 Ca 0.21 -0.05 -0.09 0.00 -2.06 0.00 0.00 59.70 57.72 2kfy h MET 69 Cb 0.04 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.67 2kfy h MET 69 CO -0.03 0.40 -0.41 0.00 1.06 0.00 0.00 176.91 177.93 2kfy h ALA 70 N 1.60 0.91 0.00 6.32 0.00 -0.96 -3.01 119.26 124.13 2kfy h ALA 70 Ca 0.02 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2kfy h ALA 70 Cb 0.54 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2kfy h ALA 70 CO 0.04 0.51 -0.20 1.28 0.00 0.00 0.00 179.25 180.88 2kfy n LEU 71 N -3.46 0.66 0.00 0.00 4.77 -1.00 -3.65 117.00 114.33 2kfy n LEU 71 Ca 0.00 0.43 0.05 0.00 -0.03 0.00 0.00 56.01 56.47 2kfy n LEU 71 Cb 0.56 -0.30 0.25 0.00 -2.33 0.00 0.00 43.42 41.60 2kfy n LEU 71 CO 0.38 -0.10 0.65 0.29 -1.33 0.00 0.00 177.39 177.28 2kfy n LYS 72 N -2.07 0.06 -0.81 3.23 4.76 -1.11 -2.72 118.16 119.50 2kfy n LYS 72 Ca 0.05 0.26 0.04 0.00 -2.87 0.00 0.00 58.31 55.79 2kfy n LYS 72 Cb 0.42 -1.50 0.06 0.00 -1.84 0.00 0.00 35.03 32.17 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 -1.42 0.45 0.10 1.97 0.00 -1.24 -4.92 118.16 113.10 2kfy n LYS 73 Ca 0.04 -1.97 0.03 0.00 -0.00 0.00 0.00 58.31 56.40 2kfy n LYS 73 Cb 0.11 -0.66 0.17 0.00 -0.00 0.00 0.00 35.03 34.65 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 -0.22 0.16 -1.70 -5.58 5.75 -1.10 -2.48 116.55 111.37 2kfy n ASP 74 Ca 0.08 0.38 -0.05 0.00 -0.01 0.00 0.00 54.79 55.19 2kfy n ASP 74 Cb 0.85 -0.32 0.01 0.00 -1.03 0.00 0.00 41.12 40.63 2kfy n ASP 74 CO 0.00 0.00 0.00 -2.11 -0.11 0.00 0.00 177.20 174.98 2kfy n ARG 75 N -1.68 0.57 -2.49 0.11 1.85 -1.25 -1.22 116.66 112.56 2kfy n ARG 75 Ca -0.00 -1.12 -0.10 0.00 -1.00 0.00 0.00 57.85 55.62 2kfy n ARG 75 Cb 0.36 0.45 -0.00 0.00 -1.05 0.00 0.00 32.46 32.21 2kfy n ARG 75 CO 0.00 0.00 0.00 -0.85 -0.01 0.00 0.00 177.63 176.77 2kfy n GLU 76 N -0.63 1.26 -4.38 2.89 0.28 -1.03 -4.73 120.64 114.30 2kfy n GLU 76 Ca -0.23 -1.30 -0.28 0.00 -0.16 0.00 0.00 57.16 55.18 2kfy n GLU 76 Cb 0.78 0.18 -0.12 0.00 1.43 0.00 0.00 31.44 33.71 2kfy n GLU 76 CO 0.00 0.00 0.00 -1.12 -0.16 0.00 0.00 177.13 175.85 2kfy s SER 77 N -2.17 3.50 0.37 -1.84 0.01 -1.26 -0.44 113.70 111.87 2kfy s SER 77 Ca 0.09 -0.73 0.18 0.00 1.31 0.00 0.00 55.95 56.80 2kfy s SER 77 Cb -0.01 -0.31 0.69 0.00 0.21 0.00 0.00 66.02 66.60 2kfy s SER 77 CO 0.06 0.16 1.75 0.24 0.41 0.00 0.00 173.24 175.86 2kfy h MET 78 N 3.64 0.00 0.00 12.44 2.86 -1.91 -3.47 114.93 128.49 2kfy h MET 78 Ca -0.49 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.15 2kfy h MET 78 Cb 1.18 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.84 2kfy h MET 78 CO 0.43 0.39 0.00 0.41 1.06 0.00 0.00 176.91 179.20 2kfy n GLY 79 N 0.12 0.19 0.00 8.32 0.00 -1.26 -4.99 105.19 107.57 2kfy n GLY 79 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -3.80 1.61 -0.00 -1.26 -5.13 115.22 106.64 2kfy n HIS 80 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 57.72 57.62 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 0.00 1.19 0.16 1.57 3.52 -1.26 -5.18 118.95 118.95 2kfy s ARG 81 Ca 0.00 -0.95 0.04 0.00 -0.13 0.00 0.00 55.73 54.69 2kfy s ARG 81 Cb 0.00 0.44 -0.04 0.00 -1.56 0.00 0.00 34.95 33.80 2kfy s ARG 81 CO 0.00 -0.46 0.19 1.52 -0.81 0.00 0.00 175.30 175.74 2kfy s TYR 82 N -3.89 3.28 0.31 5.12 1.13 -1.26 -2.96 117.35 119.08 2kfy s TYR 82 Ca 0.10 0.04 0.09 0.00 -1.41 0.00 0.00 57.07 55.89 2kfy s TYR 82 Cb 0.02 -1.57 -0.06 0.00 -1.10 0.00 0.00 41.96 39.24 2kfy s TYR 82 CO -0.05 0.52 -0.12 0.42 -2.51 0.00 0.00 175.55 173.81 2kfy s ILE 83 N -1.74 2.15 0.02 -3.49 1.09 0.41 -2.97 121.20 116.67 2kfy s ILE 83 Ca 0.32 -2.24 0.01 0.00 -1.10 0.00 0.00 60.65 57.64 2kfy s ILE 83 Cb -0.10 -2.48 -0.01 0.00 -1.06 0.00 0.00 42.46 38.80 2kfy s ILE 83 CO 0.25 -0.30 -0.05 -1.61 -0.10 0.00 0.00 174.94 173.14 2kfy s GLU 84 N -3.61 0.36 0.03 2.79 2.02 0.53 -3.11 118.70 117.70 2kfy s GLU 84 Ca 0.31 -0.44 -0.05 0.00 0.02 0.00 0.00 54.97 54.81 2kfy s GLU 84 Cb 0.01 -0.18 -0.01 0.00 0.10 0.00 0.00 34.13 34.04 2kfy s GLU 84 CO 0.15 0.04 0.08 0.08 0.02 0.00 0.00 175.26 175.62 2kfy s VAL 85 N -0.82 0.13 0.13 2.63 1.01 -0.36 -1.11 120.40 122.01 2kfy s VAL 85 Ca -0.06 -1.04 -0.21 0.00 0.00 0.00 0.00 61.98 60.66 2kfy s VAL 85 Cb -0.06 -0.75 0.06 0.00 0.00 0.00 0.00 36.38 35.63 2kfy s VAL 85 CO -0.00 -0.57 0.54 0.12 0.00 0.00 0.00 175.10 175.19 2kfy s PHE 86 N -2.30 -0.45 0.51 5.22 5.36 -1.13 -4.59 117.98 120.60 2kfy s PHE 86 Ca -0.08 0.26 -0.19 0.00 -0.96 0.00 0.00 56.93 55.97 2kfy s PHE 86 Cb -0.03 0.45 -0.07 0.00 -0.34 0.00 0.00 43.02 43.03 2kfy s PHE 86 CO -0.03 -0.78 1.03 0.21 -1.46 0.00 0.00 175.22 174.19 2kfy s LYS 87 N -3.51 3.72 0.31 10.12 2.20 -1.26 -0.10 119.74 131.21 2kfy s LYS 87 Ca 0.00 1.27 0.05 0.00 -0.36 0.00 0.00 55.97 56.93 2kfy s LYS 87 Cb -0.00 -2.09 -0.03 0.00 -1.51 0.00 0.00 37.83 34.20 2kfy s LYS 87 CO -0.11 -0.49 0.21 0.45 -0.36 0.00 0.00 175.35 175.06 2kfy s SER 88 N -2.29 1.45 0.00 1.43 0.15 -0.46 -4.62 113.70 109.37 2kfy s SER 88 Ca 0.65 -1.64 0.00 0.00 0.70 0.00 0.00 55.95 55.66 2kfy s SER 88 Cb -0.15 0.49 0.00 0.00 -1.71 0.00 0.00 66.02 64.64 2kfy s SER 88 CO 0.25 -0.97 0.62 0.00 1.20 0.00 0.00 173.24 174.33 2kfy n HIS 89 N -0.57 0.00 0.00 3.44 1.44 -1.26 -3.83 115.22 114.44 2kfy n HIS 89 Ca 0.04 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.75 2kfy n HIS 89 Cb 0.64 0.01 0.00 0.00 0.12 0.00 0.00 29.99 30.76 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 -0.20 -1.40 0.63 -1.26 -3.28 116.66 111.15 2kfy n ARG 90 Ca 0.00 0.00 -0.08 0.00 -0.92 0.00 0.00 57.85 56.85 2kfy n ARG 90 Cb 0.57 -0.43 0.06 0.00 0.45 0.00 0.00 32.46 33.10 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 1.26 -0.32 5.15 2.02 -2.00 -1.45 112.91 117.57 2kfy h THR 91 Ca 0.00 -1.10 -0.17 0.00 0.77 0.00 0.00 66.41 65.91 2kfy h THR 91 Cb 0.00 0.76 -0.00 0.00 -1.74 0.00 0.00 68.15 67.17 2kfy h THR 91 CO 0.00 0.40 -0.46 -0.08 0.37 0.00 0.00 175.52 175.75 2kfy h GLU 92 N 0.96 0.87 -0.39 6.66 4.81 -2.00 -2.98 114.58 122.51 2kfy h GLU 92 Ca 0.18 -0.52 0.04 0.00 -0.13 0.00 0.00 59.36 58.93 2kfy h GLU 92 Cb 0.51 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.89 2kfy h GLU 92 CO 0.02 1.16 0.15 1.98 -0.73 0.00 0.00 179.01 181.59 2kfy h MET 93 N 0.66 0.32 -0.05 1.92 4.05 -1.85 -1.90 114.93 118.08 2kfy h MET 93 Ca 0.03 -0.02 -0.07 0.00 -0.28 0.00 0.00 59.70 59.36 2kfy h MET 93 Cb 1.06 -0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 31.78 2kfy h MET 93 CO 0.11 0.21 -0.29 0.22 0.23 0.00 0.00 176.91 177.38 2kfy h ASP 94 N 0.33 0.09 0.86 1.39 1.82 -1.30 -0.78 116.42 118.83 2kfy h ASP 94 Ca 0.17 -0.03 -0.06 0.00 -0.39 0.00 0.00 57.03 56.73 2kfy h ASP 94 Cb 0.13 -0.02 -0.01 0.00 0.68 0.00 0.00 39.33 40.11 2kfy h ASP 94 CO -0.16 0.38 -0.28 -0.25 -1.61 0.00 0.00 179.24 177.33 2kfy h TRP 95 N 0.08 0.00 0.00 0.28 7.01 -1.19 -3.23 115.95 118.90 2kfy h TRP 95 Ca 0.01 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.01 2kfy h TRP 95 Cb 0.56 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.62 2kfy h TRP 95 CO 0.00 0.28 -0.66 1.55 -2.79 0.00 0.00 178.44 176.82 2kfy n VAL 96 N -3.47 0.00 0.97 2.65 3.14 -1.08 -4.02 118.33 116.53 2kfy n VAL 96 Ca -0.00 -0.28 0.09 0.00 -2.96 0.00 0.00 64.34 61.19 2kfy n VAL 96 Cb 0.45 0.80 0.49 0.00 -1.06 0.00 0.00 33.84 34.51 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 -1.36 0.00 0.00 6.55 7.99 -0.31 -3.09 117.00 126.78 2kfy n LEU 97 Ca 0.01 0.14 0.00 0.00 -0.01 0.00 0.00 56.01 56.14 2kfy n LEU 97 Cb 0.15 -0.14 0.00 0.00 -0.11 0.00 0.00 43.42 43.32 2kfy n LEU 97 CO 0.16 -0.06 0.11 0.29 -1.51 0.00 0.00 177.39 176.38 2kfy n LYS 98 N -1.14 -0.39 -3.62 3.23 5.02 -1.25 -4.99 118.16 115.02 2kfy n LYS 98 Ca 0.11 -0.22 -0.15 0.00 -2.02 0.00 0.00 58.31 56.03 2kfy n LYS 98 Cb 0.10 -0.71 -0.07 0.00 -0.02 0.00 0.00 35.03 34.33 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 -0.01 -0.73 0.13 2.13 5.04 -1.18 -5.11 115.29 115.57 2kfy s HIS 99 Ca 0.00 1.70 -0.05 0.00 -1.54 0.00 0.00 55.06 55.18 2kfy s HIS 99 Cb 0.00 0.28 0.02 0.00 0.04 0.00 0.00 32.58 32.92 2kfy s HIS 99 CO 0.00 -0.40 0.26 0.45 -2.34 0.00 0.00 174.74 172.70 2kfy n SER 100 N 2.41 -0.74 -3.45 9.88 2.88 -1.26 -4.34 113.62 118.99 2kfy n SER 100 Ca -0.15 -1.54 -0.09 0.00 -1.33 0.00 0.00 58.87 55.77 2kfy n SER 100 Cb 0.56 1.24 -0.01 0.00 -0.75 0.00 0.00 64.21 65.25 2kfy n SER 100 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2kfy s GLY 101 N -1.69 0.39 0.00 0.46 0.00 -1.26 -4.85 107.32 100.37 2kfy s GLY 101 Ca 0.06 -0.72 0.14 0.00 0.00 0.00 0.00 44.72 44.19 2kfy s GLY 101 CO 0.04 -0.38 1.24 -1.55 0.00 0.00 0.00 173.10 172.46