#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 -1.57 0.00 0.03 0.00 -1.26 -4.56 117.12 109.76 2kfy n MET 2 Ca 0.00 0.25 0.00 0.00 0.00 0.00 0.00 57.70 57.95 2kfy n MET 2 Cb 0.00 -3.92 0.00 0.00 0.00 0.00 0.00 33.22 29.30 2kfy n MET 2 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 2kfy n LEU 3 N 0.00 0.35 0.00 4.03 7.99 -1.26 -5.13 117.00 122.98 2kfy n LEU 3 Ca 0.00 -0.47 0.00 0.00 -0.01 0.00 0.00 56.01 55.53 2kfy n LEU 3 Cb 0.25 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.56 2kfy n LEU 3 CO 0.00 0.09 0.00 0.61 -1.51 0.00 0.00 177.39 176.58 2kfy n GLY 4 N 0.25 0.75 3.75 -0.72 0.00 -1.26 -5.15 105.19 102.81 2kfy n GLY 4 Ca 0.00 -1.31 -0.29 0.00 0.00 0.00 0.00 46.02 44.42 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 -1.93 0.45 -0.00 1.61 0.04 -1.26 -3.53 135.00 130.38 2kfy s PRO 5 Ca 0.00 0.13 0.00 0.00 0.04 0.00 0.00 61.00 61.17 2kfy s PRO 5 Cb 0.00 -1.77 0.00 0.00 0.04 0.00 0.00 34.50 32.77 2kfy s PRO 5 CO 0.00 -2.64 0.60 0.39 0.04 0.00 0.00 177.00 175.39 2kfy n GLU 6 N -4.04 0.07 0.00 4.56 1.02 -1.26 -4.83 120.64 116.16 2kfy n GLU 6 Ca 0.09 -0.61 0.00 0.00 -0.02 0.00 0.00 57.16 56.62 2kfy n GLU 6 Cb 0.59 -0.52 0.00 0.00 -0.02 0.00 0.00 31.44 31.50 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 -0.02 0.00 0.00 0.62 0.00 -1.26 -5.16 105.19 99.37 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 -0.85 0.11 -0.02 0.00 -1.26 -4.99 105.19 98.18 2kfy n GLY 8 Ca 0.00 -1.63 0.00 0.00 0.00 0.00 0.00 46.02 44.39 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 -0.63 0.00 -3.84 1.61 1.02 -1.25 -5.02 120.64 112.53 2kfy n GLU 9 Ca 0.00 -0.32 -0.08 0.00 -0.02 0.00 0.00 57.16 56.74 2kfy n GLU 9 Cb 0.00 -0.26 -0.03 0.00 -0.02 0.00 0.00 31.44 31.13 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 -0.11 0.02 -0.82 0.62 0.00 -1.23 -4.93 107.32 100.86 2kfy s GLY 10 Ca 0.00 -0.37 -0.05 0.00 0.00 0.00 0.00 44.72 44.30 2kfy s GLY 10 CO 0.00 -0.23 2.69 0.69 0.00 0.00 0.00 173.10 176.25 2kfy n PHE 11 N -0.41 1.91 -4.12 1.90 3.72 -1.26 -4.61 117.46 114.59 2kfy n PHE 11 Ca -0.06 -2.31 -0.13 0.00 -0.05 0.00 0.00 57.45 54.90 2kfy n PHE 11 Cb 0.61 -1.63 -0.11 0.00 -0.94 0.00 0.00 39.48 37.41 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 -1.35 0.72 0.15 -4.37 1.01 -1.26 -1.62 120.40 113.67 2kfy s VAL 12 Ca 0.58 -1.42 0.00 0.00 0.00 0.00 0.00 61.98 61.15 2kfy s VAL 12 Cb 0.29 -1.06 -0.04 0.00 0.00 0.00 0.00 36.38 35.57 2kfy s VAL 12 CO -0.15 -0.52 0.04 0.68 0.00 0.00 0.00 175.10 175.16 2kfy s VAL 13 N -2.11 0.33 0.21 2.92 -7.23 -0.76 -1.14 120.40 112.61 2kfy s VAL 13 Ca -0.01 -1.94 0.05 0.00 -1.81 0.00 0.00 61.98 58.27 2kfy s VAL 13 Cb -0.05 -2.12 -0.03 0.00 0.56 0.00 0.00 36.38 34.74 2kfy s VAL 13 CO -0.01 -0.43 0.26 -0.54 -0.31 0.00 0.00 175.10 174.07 2kfy s LYS 14 N -4.00 3.21 0.00 4.82 1.02 0.76 -0.84 119.74 124.71 2kfy s LYS 14 Ca 0.25 -0.82 0.01 0.00 0.02 0.00 0.00 55.97 55.43 2kfy s LYS 14 Cb 0.07 -2.78 -0.00 0.00 -0.52 0.00 0.00 37.83 34.60 2kfy s LYS 14 CO 0.04 0.45 -0.02 -1.17 -0.92 0.00 0.00 175.35 173.73 2kfy s LEU 15 N -3.60 2.02 -0.02 3.17 1.98 -0.31 -2.83 118.68 119.10 2kfy s LEU 15 Ca 0.33 -0.06 -0.08 0.00 -2.89 0.00 0.00 54.13 51.43 2kfy s LEU 15 Cb -0.09 -0.08 0.01 0.00 0.66 0.00 0.00 46.19 46.68 2kfy s LEU 15 CO 0.27 0.00 0.16 -0.13 -1.89 0.00 0.00 176.35 174.76 2kfy s ARG 16 N -0.14 0.43 0.00 1.98 3.00 -0.50 -1.35 118.95 122.37 2kfy s ARG 16 Ca -0.00 -0.23 0.00 0.00 0.00 0.00 0.00 55.73 55.50 2kfy s ARG 16 Cb -0.01 0.19 0.00 0.00 0.00 0.00 0.00 34.95 35.12 2kfy s ARG 16 CO -0.00 -0.10 0.00 0.41 0.00 0.00 0.00 175.30 175.61 2kfy n GLY 17 N 1.80 0.89 1.23 -3.53 0.00 -1.26 -0.24 105.19 104.08 2kfy n GLY 17 Ca -0.20 -1.90 0.15 0.00 0.00 0.00 0.00 46.02 44.07 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 -0.86 -3.40 0.99 4.77 -1.18 -4.46 117.00 112.86 2kfy n LEU 18 Ca 0.00 1.99 -0.09 0.00 -0.03 0.00 0.00 56.01 57.87 2kfy n LEU 18 Cb 0.00 -2.96 -0.03 0.00 -2.33 0.00 0.00 43.42 38.10 2kfy n LEU 18 CO 0.00 -2.02 0.74 -2.65 -1.33 0.00 0.00 177.39 172.14 2kfy n PRO 19 N -4.01 0.00 -0.71 3.23 -0.02 -1.26 -4.22 135.00 128.00 2kfy n PRO 19 Ca -0.07 -0.39 0.00 0.00 -2.02 0.00 0.00 63.50 61.02 2kfy n PRO 19 Cb 0.58 -1.67 0.00 0.00 -0.02 0.00 0.00 33.50 32.40 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 4.91 0.00 -3.46 6.00 7.02 -1.26 -4.83 117.44 125.81 2kfy n TRP 20 Ca 0.10 0.00 -0.14 0.00 -1.02 0.00 0.00 57.50 56.44 2kfy n TRP 20 Cb 0.13 -1.60 -0.03 0.00 -2.42 0.00 0.00 31.31 27.38 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 -1.56 -0.58 0.34 -0.99 0.15 -1.26 -4.52 113.70 105.27 2kfy s SER 21 Ca 0.00 0.26 -0.15 0.00 0.70 0.00 0.00 55.95 56.76 2kfy s SER 21 Cb 0.00 0.56 0.06 0.00 -1.71 0.00 0.00 66.02 64.92 2kfy s SER 21 CO 0.00 -0.81 0.77 0.00 1.20 0.00 0.00 173.24 174.40 2kfy s SER 23 N -2.97 0.54 0.40 0.00 0.01 -1.26 -5.05 113.70 105.37 2kfy s SER 23 Ca 0.16 -1.11 0.29 0.00 1.31 0.00 0.00 55.95 56.59 2kfy s SER 23 Cb -0.04 0.23 1.29 0.00 0.21 0.00 0.00 66.02 67.71 2kfy s SER 23 CO 0.10 -0.65 1.86 -0.37 0.41 0.00 0.00 173.24 174.59 2kfy h VAL 24 N 2.96 0.00 0.00 3.43 -1.51 -2.00 -2.52 116.25 116.61 2kfy h VAL 24 Ca -0.35 -0.24 -0.17 0.00 -1.23 0.00 0.00 66.70 64.70 2kfy h VAL 24 Cb 1.18 1.04 -0.03 0.00 -2.13 0.00 0.00 31.29 31.35 2kfy h VAL 24 CO 0.62 0.00 -1.08 -0.33 -1.23 0.00 0.00 177.57 175.56 2kfy h GLU 25 N 0.00 0.00 0.12 5.19 5.08 -1.99 -2.99 114.58 119.99 2kfy h GLU 25 Ca 0.00 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.08 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 0.54 -1.27 -0.44 -1.00 0.00 0.00 179.01 176.84 2kfy h ASP 26 N 0.00 0.41 -0.23 1.42 3.32 -1.88 -2.76 116.42 116.70 2kfy h ASP 26 Ca -0.10 -0.45 -0.19 0.00 0.02 0.00 0.00 57.03 56.32 2kfy h ASP 26 Cb 1.62 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 41.04 2kfy h ASP 26 CO 0.07 1.35 -0.57 1.62 -1.72 0.00 0.00 179.24 179.99 2kfy h VAL 27 N 0.07 1.28 0.00 -1.35 3.04 -1.63 -2.26 116.25 115.40 2kfy h VAL 27 Ca -0.14 -1.77 -0.06 0.00 -1.01 0.00 0.00 66.70 63.73 2kfy h VAL 27 Cb 1.97 1.68 -0.01 0.00 -2.01 0.00 0.00 31.29 32.92 2kfy h VAL 27 CO 0.20 0.57 -0.27 0.06 -1.01 0.00 0.00 177.57 177.12 2kfy h GLN 28 N 0.63 0.00 0.00 4.17 3.07 -1.62 -1.39 115.11 119.97 2kfy h GLN 28 Ca 0.01 0.00 -0.06 0.00 0.09 0.00 0.00 58.65 58.69 2kfy h GLN 28 Cb 1.18 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.73 2kfy h GLN 28 CO 0.12 0.27 -0.27 -0.97 0.09 0.00 0.00 178.83 178.08 2kfy h ASN 29 N 0.00 0.00 0.50 0.06 -1.24 -1.27 -3.05 115.58 110.58 2kfy h ASN 29 Ca -0.00 0.00 -0.18 0.00 0.71 0.00 0.00 56.30 56.82 2kfy h ASN 29 Cb 0.80 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.81 2kfy h ASN 29 CO 0.04 0.27 -1.65 0.33 -1.29 0.00 0.00 177.43 175.13 2kfy n PHE 30 N -3.56 0.71 -2.13 0.67 7.35 -0.84 -3.95 117.46 115.71 2kfy n PHE 30 Ca -0.01 0.24 -0.36 0.00 -0.76 0.00 0.00 57.45 56.56 2kfy n PHE 30 Cb 0.41 -1.01 0.03 0.00 0.35 0.00 0.00 39.48 39.26 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 -2.80 6.62 -0.54 -2.13 7.99 -0.58 -4.86 117.00 120.70 2kfy n LEU 31 Ca -0.13 -4.98 0.00 0.00 -0.01 0.00 0.00 56.01 50.89 2kfy n LEU 31 Cb 0.86 -0.88 0.00 0.00 -0.11 0.00 0.00 43.42 43.30 2kfy n LEU 31 CO 0.43 1.92 0.07 -0.24 -1.51 0.00 0.00 177.39 178.06 2kfy n SER 32 N -0.50 0.28 0.00 -1.43 2.88 -1.16 -1.81 113.62 111.89 2kfy n SER 32 Ca 0.49 -0.48 0.00 0.00 -1.33 0.00 0.00 58.87 57.55 2kfy n SER 32 Cb 0.37 -0.12 0.00 0.00 -0.75 0.00 0.00 64.21 63.71 2kfy n SER 32 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2kfy n ASP 33 N 0.42 0.73 -1.16 -3.46 8.00 -1.26 -5.09 116.55 114.73 2kfy n ASP 33 Ca 0.00 -1.35 0.00 0.00 0.71 0.00 0.00 54.79 54.15 2kfy n ASP 33 Cb 0.07 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.17 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 0.00 0.25 -3.40 0.00 5.66 -1.26 -5.00 114.28 110.52 2kfy n THR 35 Ca 0.00 -0.40 -0.20 0.00 -3.05 0.00 0.00 64.05 60.40 2kfy n THR 35 Cb 0.00 1.13 -0.03 0.00 -1.55 0.00 0.00 70.33 69.88 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 -0.12 -0.18 0.00 1.09 -0.00 -1.25 -2.17 119.36 116.72 2kfy n ILE 36 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.75 2kfy n ILE 36 Cb 0.22 -0.53 0.00 0.00 -0.00 0.00 0.00 39.64 39.33 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 -3.34 0.00 0.00 1.39 -0.00 -1.14 -2.42 115.22 109.72 2kfy n HIS 37 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.76 2kfy n HIS 37 Cb 0.49 -0.14 0.00 0.00 -0.00 0.00 0.00 29.99 30.34 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 0.08 0.00 -0.51 0.26 8.00 -0.92 -4.85 116.55 118.60 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 -0.14 -3.76 2.47 0.44 0.00 -1.01 -4.65 105.19 98.54 2kfy n GLY 39 Ca 0.00 -0.80 -0.02 0.00 0.00 0.00 0.00 46.02 45.20 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 -0.05 -0.04 -1.70 4.61 0.00 -1.26 -4.58 120.51 117.50 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 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 18.48 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 0.56 1.63 -1.15 0.00 0.00 -1.26 -4.83 120.51 115.45 2kfy n ALA 41 Ca -0.02 -0.67 0.00 0.00 0.00 0.00 0.00 53.44 52.75 2kfy n ALA 41 Cb 0.32 -0.26 0.00 0.00 0.00 0.00 0.00 19.45 19.51 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 -0.57 3.81 0.00 0.00 -1.23 -4.69 105.19 102.51 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 3.77 0.07 1.61 0.11 -1.26 -2.78 120.40 121.92 2kfy s VAL 43 Ca 0.00 0.58 -0.15 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 31.62 2kfy s VAL 43 CO 0.00 -0.75 0.34 -1.00 -3.33 0.00 0.00 175.10 170.36 2kfy s HIS 44 N -3.02 -0.13 0.23 1.54 3.76 -1.14 -4.94 115.29 111.58 2kfy s HIS 44 Ca 0.59 -0.06 -0.06 0.00 -0.15 0.00 0.00 55.06 55.37 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 -0.57 0.31 -0.06 -0.85 0.00 0.00 174.74 174.12 2kfy s PHE 45 N -3.01 0.79 0.00 1.40 0.08 -1.26 -2.95 117.98 113.02 2kfy s PHE 45 Ca -0.02 -1.07 0.00 0.00 0.12 0.00 0.00 56.93 55.96 2kfy s PHE 45 Cb 0.01 -0.19 0.00 0.00 -0.57 0.00 0.00 43.02 42.27 2kfy s PHE 45 CO -0.06 -0.84 0.00 -0.89 -0.10 0.00 0.00 175.22 173.33 2kfy n ILE 46 N -0.34 0.00 -0.31 0.64 5.41 -0.69 -4.85 119.36 119.21 2kfy n ILE 46 Ca 0.00 -0.01 -0.11 0.00 1.00 0.00 0.00 62.75 63.64 2kfy n ILE 46 Cb 0.64 0.20 0.10 0.00 -0.71 0.00 0.00 39.64 39.87 2kfy n ILE 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2kfy n TYR 47 N -0.50 -2.90 -4.16 1.39 4.11 -1.26 -4.75 117.16 109.10 2kfy n TYR 47 Ca 0.00 -0.31 -0.11 0.00 -0.00 0.00 0.00 57.90 57.48 2kfy n TYR 47 Cb 0.00 -0.43 -0.10 0.00 -0.00 0.00 0.00 39.34 38.81 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 -1.51 0.06 -2.00 -3.48 -4.23 -1.26 -5.03 115.64 98.19 2kfy s THR 48 Ca 0.24 -1.93 0.07 0.00 -1.18 0.00 0.00 61.69 58.90 2kfy s THR 48 Cb -0.04 -2.22 0.21 0.00 1.34 0.00 0.00 72.50 71.80 2kfy s THR 48 CO 0.20 -0.27 1.12 -2.11 -0.54 0.00 0.00 174.62 173.01 2kfy n ARG 49 N -0.17 0.80 -0.37 3.99 -4.01 -1.26 -3.23 116.66 112.41 2kfy n ARG 49 Ca -0.03 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.78 2kfy n ARG 49 Cb 0.65 -1.15 0.00 0.00 -3.04 0.00 0.00 32.46 28.92 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 -0.65 0.00 0.00 2.89 0.28 -1.26 -5.09 120.64 116.81 2kfy n GLU 50 Ca 0.06 -0.54 0.00 0.00 -0.16 0.00 0.00 57.16 56.51 2kfy n GLU 50 Cb 0.03 -0.31 0.00 0.00 1.43 0.00 0.00 31.44 32.58 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 5.46 2.02 -1.84 0.00 -1.20 -5.14 105.19 104.48 2kfy n GLY 51 Ca 0.00 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.10 2kfy n GLY 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kfy n ARG 52 N 0.00 0.00 -3.73 1.61 1.74 -1.26 -4.85 116.66 110.17 2kfy n ARG 52 Ca 0.00 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 56.98 2kfy n ARG 52 Cb 0.00 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 31.38 2kfy n ARG 52 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 2kfy s GLN 53 N -1.16 0.93 0.00 5.56 -1.52 -1.26 -4.58 119.66 117.62 2kfy s GLN 53 Ca 0.00 -0.70 0.00 0.00 -1.95 0.00 0.00 55.36 52.71 2kfy s GLN 53 Cb 0.00 0.40 0.00 0.00 -0.22 0.00 0.00 33.01 33.19 2kfy s GLN 53 CO 0.00 -0.33 0.00 -1.13 -0.25 0.00 0.00 175.29 173.58 2kfy n SER 54 N 0.07 0.00 0.00 5.90 3.41 -1.26 -4.99 113.62 116.75 2kfy n SER 54 Ca -0.17 -0.91 0.00 0.00 -0.26 0.00 0.00 58.87 57.53 2kfy n SER 54 Cb 0.62 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.57 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 0.00 0.00 7.00 5.00 0.00 -1.26 -4.89 105.19 111.04 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 -3.74 1.61 4.71 -1.26 -4.88 120.64 117.07 2kfy n GLU 56 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 57.16 57.03 2kfy n GLU 56 Cb 0.00 0.00 -0.01 0.00 -1.01 0.00 0.00 31.44 30.42 2kfy n GLU 56 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2kfy n ALA 57 N 11.90 -0.86 -2.19 0.62 0.00 -0.46 -1.71 120.51 127.80 2kfy n ALA 57 Ca 0.00 -1.40 -0.12 0.00 0.00 0.00 0.00 53.44 51.93 2kfy n ALA 57 Cb 0.00 1.12 -0.10 0.00 0.00 0.00 0.00 19.45 20.47 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 -2.88 1.10 -0.21 0.00 0.08 -1.15 -1.16 117.98 113.76 2kfy s PHE 58 Ca 0.22 -1.32 -0.04 0.00 0.12 0.00 0.00 56.93 55.92 2kfy s PHE 58 Cb -0.02 -0.56 0.10 0.00 -0.57 0.00 0.00 43.02 41.97 2kfy s PHE 58 CO 0.16 -0.58 0.25 0.08 -0.10 0.00 0.00 175.22 175.04 2kfy s VAL 59 N -4.09 -0.38 0.55 -0.44 1.01 -0.02 -2.89 120.40 114.12 2kfy s VAL 59 Ca 0.34 -0.12 -0.18 0.00 0.00 0.00 0.00 61.98 62.03 2kfy s VAL 59 Cb 0.07 -0.71 -0.06 0.00 0.00 0.00 0.00 36.38 35.68 2kfy s VAL 59 CO 0.09 -0.20 1.05 -1.61 0.00 0.00 0.00 175.10 174.43 2kfy s GLU 60 N 2.37 3.53 0.27 2.72 2.02 -1.12 -1.83 118.70 126.66 2kfy s GLU 60 Ca 0.08 1.28 0.03 0.00 0.02 0.00 0.00 54.97 56.38 2kfy s GLU 60 Cb -0.16 -2.06 -0.01 0.00 0.10 0.00 0.00 34.13 32.00 2kfy s GLU 60 CO -0.13 -0.65 0.11 1.28 0.02 0.00 0.00 175.26 175.89 2kfy n LEU 61 N -1.55 0.00 -0.06 1.80 4.77 -0.64 -2.88 117.00 118.44 2kfy n LEU 61 Ca 0.09 -2.15 -0.03 0.00 -0.03 0.00 0.00 56.01 53.89 2kfy n LEU 61 Cb 0.53 0.76 -0.14 0.00 -2.33 0.00 0.00 43.42 42.23 2kfy n LEU 61 CO 0.44 -0.34 -0.96 0.61 -1.33 0.00 0.00 177.39 175.81 2kfy n GLY 62 N 0.11 -0.87 3.48 -0.72 0.00 -1.26 -4.09 105.19 101.83 2kfy n GLY 62 Ca -0.03 -0.35 -0.09 0.00 0.00 0.00 0.00 46.02 45.55 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 -4.85 -0.06 0.48 1.61 0.01 -1.26 -5.03 113.70 104.60 2kfy s SER 63 Ca -0.08 -0.88 0.14 0.00 1.31 0.00 0.00 55.95 56.44 2kfy s SER 63 Cb 0.08 0.53 1.14 0.00 0.21 0.00 0.00 66.02 67.98 2kfy s SER 63 CO 0.75 -1.04 2.10 -0.08 0.41 0.00 0.00 173.24 175.38 2kfy h GLU 64 N 2.35 0.19 0.00 12.44 4.81 -1.95 -1.37 114.58 131.04 2kfy h GLU 64 Ca -0.29 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 58.88 2kfy h GLU 64 Cb 1.25 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.58 2kfy h GLU 64 CO 0.40 0.12 -0.24 0.22 -0.73 0.00 0.00 179.01 178.79 2kfy h ASP 65 N 0.19 0.00 0.07 1.04 3.58 -1.99 -1.80 116.42 117.51 2kfy h ASP 65 Ca 0.09 0.00 -0.25 0.00 0.42 0.00 0.00 57.03 57.28 2kfy h ASP 65 Cb 0.11 0.00 0.02 0.00 1.72 0.00 0.00 39.33 41.18 2kfy h ASP 65 CO -0.02 0.24 -1.04 0.44 -2.88 0.00 0.00 179.24 175.99 2kfy h ASP 66 N 0.00 0.80 -0.47 2.28 3.32 -1.55 -2.37 116.42 118.43 2kfy h ASP 66 Ca -0.00 -0.80 -0.13 0.00 0.02 0.00 0.00 57.03 56.12 2kfy h ASP 66 Cb 0.56 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.85 2kfy h ASP 66 CO 0.03 1.50 -0.23 1.62 -1.72 0.00 0.00 179.24 180.45 2kfy h VAL 67 N 0.19 1.27 -0.46 -1.35 3.04 -1.34 0.46 116.25 118.06 2kfy h VAL 67 Ca -0.15 -1.39 -0.01 0.00 -1.01 0.00 0.00 66.70 64.14 2kfy h VAL 67 Cb 1.72 1.17 -0.02 0.00 -2.01 0.00 0.00 31.29 32.15 2kfy h VAL 67 CO 0.20 0.48 0.23 0.11 -1.01 0.00 0.00 177.57 177.58 2kfy h LYS 68 N 0.82 0.65 0.00 4.17 1.57 -1.41 -2.61 116.57 119.77 2kfy h LYS 68 Ca 0.10 -0.09 -0.07 0.00 -1.87 0.00 0.00 60.65 58.73 2kfy h LYS 68 Cb 0.81 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.99 2kfy h LYS 68 CO 0.07 0.54 -0.32 0.52 -0.57 0.00 0.00 179.45 179.69 2kfy h MET 69 N 0.60 0.00 0.00 3.15 2.86 -1.21 -2.81 114.93 117.52 2kfy h MET 69 Ca 0.16 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.68 2kfy h MET 69 Cb 0.09 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.73 2kfy h MET 69 CO -0.02 0.32 -0.58 0.00 1.06 0.00 0.00 176.91 177.69 2kfy h ALA 70 N 1.68 1.02 0.00 6.32 0.00 -0.61 -2.97 119.26 124.69 2kfy h ALA 70 Ca -0.00 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.38 2kfy h ALA 70 Cb 0.77 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2kfy h ALA 70 CO 0.04 0.72 0.00 -0.07 0.00 0.00 0.00 179.25 179.95 2kfy h LEU 71 N 0.00 0.00 0.00 0.00 3.38 -1.21 -3.23 115.31 114.24 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 0.08 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.90 2kfy n LYS 72 N -2.50 0.07 -0.82 1.13 4.76 -1.12 -2.55 118.16 117.13 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 0.45 -1.50 0.08 0.00 -1.84 0.00 0.00 35.03 32.22 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 -1.41 0.58 0.24 1.97 0.00 -1.22 -4.93 118.16 113.39 2kfy n LYS 73 Ca 0.04 -2.16 0.04 0.00 -0.00 0.00 0.00 58.31 56.24 2kfy n LYS 73 Cb 0.11 -0.74 0.23 0.00 -0.00 0.00 0.00 35.03 34.63 2kfy n LYS 73 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.40 177.78 2kfy h ASP 74 N 0.60 0.00 0.00 -5.58 2.03 -1.62 -1.41 116.42 110.44 2kfy h ASP 74 Ca -0.08 0.00 -0.03 0.00 -0.73 0.00 0.00 57.03 56.18 2kfy h ASP 74 Cb 1.42 0.00 -0.07 0.00 -0.83 0.00 0.00 39.33 39.85 2kfy h ASP 74 CO 0.04 0.00 -0.58 0.54 -1.03 0.00 0.00 179.24 178.21 2kfy n ARG 75 N -2.23 0.00 0.00 4.15 1.74 -1.26 -0.87 116.66 118.19 2kfy n ARG 75 Ca -0.01 -1.14 0.00 0.00 -0.77 0.00 0.00 57.85 55.93 2kfy n ARG 75 Cb 0.65 -0.39 0.00 0.00 -1.02 0.00 0.00 32.46 31.70 2kfy n ARG 75 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2kfy n GLU 76 N 0.09 -0.67 -4.29 5.56 -0.58 -0.53 -4.59 120.64 115.63 2kfy n GLU 76 Ca 0.01 0.00 -0.20 0.00 -0.42 0.00 0.00 57.16 56.55 2kfy n GLU 76 Cb 0.77 0.00 -0.08 0.00 -0.57 0.00 0.00 31.44 31.56 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 1.74 0.00 1.62 0.01 -1.26 -0.77 113.70 113.52 2kfy s SER 77 Ca 0.00 -1.77 0.00 0.00 1.31 0.00 0.00 55.95 55.49 2kfy s SER 77 Cb 0.00 0.56 0.00 0.00 0.21 0.00 0.00 66.02 66.79 2kfy s SER 77 CO 0.00 -1.06 0.00 0.23 0.41 0.00 0.00 173.24 172.82 2kfy n MET 78 N -0.64 1.54 0.00 12.44 2.81 -1.21 -4.90 117.12 127.16 2kfy n MET 78 Ca 0.07 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.96 2kfy n MET 78 Cb 0.62 -0.72 0.00 0.00 -0.71 0.00 0.00 33.22 32.42 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 1.66 4.94 3.32 3.03 0.00 -1.26 -4.97 105.19 111.92 2kfy n GLY 79 Ca 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.06 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 -1.88 0.00 -3.83 1.61 8.25 -1.26 -4.78 115.22 113.33 2kfy n HIS 80 Ca 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.40 2kfy n HIS 80 Cb 0.00 -1.06 -0.01 0.00 1.12 0.00 0.00 29.99 30.04 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 -0.52 1.69 0.21 -0.41 6.06 -1.26 -5.10 118.95 119.62 2kfy s ARG 81 Ca 0.00 -0.98 0.01 0.00 -2.50 0.00 0.00 55.73 52.26 2kfy s ARG 81 Cb 0.00 0.54 -0.05 0.00 0.06 0.00 0.00 34.95 35.51 2kfy s ARG 81 CO 0.00 -0.78 0.05 1.52 -2.50 0.00 0.00 175.30 173.59 2kfy s TYR 82 N -3.31 1.36 0.20 5.12 -0.85 -1.26 -3.35 117.35 115.25 2kfy s TYR 82 Ca 0.13 -1.10 0.06 0.00 -0.52 0.00 0.00 57.07 55.64 2kfy s TYR 82 Cb -0.04 -0.78 -0.05 0.00 0.38 0.00 0.00 41.96 41.47 2kfy s TYR 82 CO 0.07 -0.28 -0.10 0.42 -1.52 0.00 0.00 175.55 174.14 2kfy s ILE 83 N -3.72 1.44 -0.01 -3.49 -1.09 0.05 -3.12 121.20 111.26 2kfy s ILE 83 Ca 0.31 -2.13 -0.05 0.00 -2.23 0.00 0.00 60.65 56.55 2kfy s ILE 83 Cb 0.07 -2.08 -0.00 0.00 -1.58 0.00 0.00 42.46 38.87 2kfy s ILE 83 CO 0.09 -0.57 0.10 -1.61 -1.23 0.00 0.00 174.94 171.72 2kfy s GLU 84 N -3.72 0.37 0.04 2.79 0.41 0.66 -3.78 118.70 115.47 2kfy s GLU 84 Ca 0.22 -0.31 -0.00 0.00 -0.41 0.00 0.00 54.97 54.47 2kfy s GLU 84 Cb 0.02 0.15 -0.03 0.00 -1.78 0.00 0.00 34.13 32.49 2kfy s GLU 84 CO 0.06 -0.08 -0.03 0.08 -0.49 0.00 0.00 175.26 174.79 2kfy s VAL 85 N -1.06 0.19 0.05 2.63 1.01 -0.05 -1.41 120.40 121.76 2kfy s VAL 85 Ca -0.11 -1.31 -0.17 0.00 0.00 0.00 0.00 61.98 60.39 2kfy s VAL 85 Cb -0.06 -0.82 0.03 0.00 0.00 0.00 0.00 36.38 35.53 2kfy s VAL 85 CO 0.01 -0.70 0.39 0.12 0.00 0.00 0.00 175.10 174.91 2kfy s PHE 86 N -2.49 -0.23 0.29 5.22 2.19 -1.13 -4.83 117.98 117.00 2kfy s PHE 86 Ca -0.06 0.14 -0.25 0.00 0.33 0.00 0.00 56.93 57.09 2kfy s PHE 86 Cb -0.02 0.20 -0.09 0.00 -1.31 0.00 0.00 43.02 41.79 2kfy s PHE 86 CO -0.05 -0.57 0.89 0.21 1.83 0.00 0.00 175.22 177.54 2kfy s LYS 87 N -2.60 4.54 0.30 10.12 2.20 -1.26 -0.17 119.74 132.87 2kfy s LYS 87 Ca -0.04 1.24 0.04 0.00 -0.36 0.00 0.00 55.97 56.84 2kfy s LYS 87 Cb -0.01 -2.88 -0.01 0.00 -1.51 0.00 0.00 37.83 33.42 2kfy s LYS 87 CO -0.03 0.34 0.14 0.45 -0.36 0.00 0.00 175.35 175.88 2kfy n SER 88 N 0.72 0.80 0.00 1.43 2.88 -0.29 -4.74 113.62 114.41 2kfy n SER 88 Ca 0.00 -2.68 0.00 0.00 -1.33 0.00 0.00 58.87 54.86 2kfy n SER 88 Cb 0.50 0.90 0.00 0.00 -0.75 0.00 0.00 64.21 64.86 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 -0.66 0.00 0.00 0.66 1.44 -1.26 -3.58 115.22 111.82 2kfy n HIS 89 Ca -0.02 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.69 2kfy n HIS 89 Cb 0.47 0.03 0.00 0.00 0.12 0.00 0.00 29.99 30.62 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 -4.48 116.66 110.02 2kfy n ARG 90 Ca 0.00 0.00 -0.13 0.00 -0.92 0.00 0.00 57.85 56.80 2kfy n ARG 90 Cb 0.41 -0.16 -0.02 0.00 0.45 0.00 0.00 32.46 33.14 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 -0.47 5.15 2.02 -1.99 -1.14 112.91 117.75 2kfy h THR 91 Ca 0.00 -1.54 -0.10 0.00 0.77 0.00 0.00 66.41 65.54 2kfy h THR 91 Cb 0.00 1.35 -0.02 0.00 -1.74 0.00 0.00 68.15 67.75 2kfy h THR 91 CO 0.00 0.52 -0.08 -0.08 0.37 0.00 0.00 175.52 176.25 2kfy h GLU 92 N 0.78 0.88 -0.44 6.66 4.81 -2.01 -2.93 114.58 122.33 2kfy h GLU 92 Ca 0.07 -0.32 0.02 0.00 -0.13 0.00 0.00 59.36 59.00 2kfy h GLU 92 Cb 0.97 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 30.26 2kfy h GLU 92 CO 0.09 0.96 0.26 1.98 -0.73 0.00 0.00 179.01 181.57 2kfy h MET 93 N 0.73 0.51 0.00 1.92 4.05 -1.89 -2.27 114.93 117.98 2kfy h MET 93 Ca 0.12 -0.03 -0.06 0.00 -0.28 0.00 0.00 59.70 59.45 2kfy h MET 93 Cb 0.61 -0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 31.29 2kfy h MET 93 CO 0.04 0.33 -0.30 0.22 0.23 0.00 0.00 176.91 177.43 2kfy h ASP 94 N 0.52 0.00 0.23 1.39 3.58 -1.18 -2.62 116.42 118.34 2kfy h ASP 94 Ca 0.18 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.62 2kfy h ASP 94 Cb 0.02 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.07 2kfy h ASP 94 CO -0.09 0.30 -0.11 -0.25 -2.88 0.00 0.00 179.24 176.22 2kfy h TRP 95 N 0.00 -0.28 0.00 0.28 7.01 -1.23 -3.32 115.95 118.41 2kfy h TRP 95 Ca -0.00 -0.01 -0.03 0.00 2.11 0.00 0.00 58.89 60.96 2kfy h TRP 95 Cb 0.58 0.09 -0.00 0.00 -2.10 0.00 0.00 29.16 27.73 2kfy h TRP 95 CO 0.00 0.06 -0.14 -0.24 -2.79 0.00 0.00 178.44 175.33 2kfy h VAL 96 N -0.95 0.33 0.00 2.65 3.04 -1.53 -1.77 116.25 118.03 2kfy h VAL 96 Ca -0.03 -0.97 0.00 0.00 -1.01 0.00 0.00 66.70 64.69 2kfy h VAL 96 Cb 0.48 1.74 0.00 0.00 -2.01 0.00 0.00 31.29 31.50 2kfy h VAL 96 CO 0.05 0.14 0.00 0.18 -1.01 0.00 0.00 177.57 176.93 2kfy n LEU 97 N -3.26 0.00 0.00 3.16 7.99 -0.99 -2.28 117.00 121.63 2kfy n LEU 97 Ca 0.01 0.26 0.00 0.00 -0.01 0.00 0.00 56.01 56.26 2kfy n LEU 97 Cb 0.42 -0.26 0.00 0.00 -0.11 0.00 0.00 43.42 43.47 2kfy n LEU 97 CO 0.32 -0.16 0.24 0.29 -1.51 0.00 0.00 177.39 176.57 2kfy n LYS 98 N -1.26 0.45 -0.21 3.23 5.02 -0.70 -4.81 118.16 119.89 2kfy n LYS 98 Ca 0.06 -0.56 0.00 0.00 -2.02 0.00 0.00 58.31 55.79 2kfy n LYS 98 Cb 0.09 -0.63 0.00 0.00 -0.02 0.00 0.00 35.03 34.47 2kfy n LYS 98 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 2kfy n HIS 99 N -0.09 0.00 -0.77 2.13 8.25 -0.98 -5.08 115.22 118.68 2kfy n HIS 99 Ca 0.00 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.14 2kfy n HIS 99 Cb 0.35 0.02 0.16 0.00 1.12 0.00 0.00 29.99 31.64 2kfy n HIS 99 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 2kfy n SER 100 N 0.00 0.42 0.00 0.41 3.41 -0.97 -4.97 113.62 111.92 2kfy n SER 100 Ca 0.00 0.45 0.00 0.00 -0.26 0.00 0.00 58.87 59.06 2kfy n SER 100 Cb 0.57 -1.48 0.00 0.00 -0.26 0.00 0.00 64.21 63.04 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 0.37 -0.53 0.00 5.00 0.00 -1.26 -5.13 105.19 103.64 2kfy n GLY 101 Ca 0.12 -1.04 0.08 0.00 0.00 0.00 0.00 46.02 45.18 2kfy n GLY 101 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77