#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kfy s MET 2 N 0.00 0.84 0.27 0.03 -2.45 -1.26 -5.18 119.30 111.55 2kfy s MET 2 Ca 0.00 -0.28 -0.18 0.00 -1.25 0.00 0.00 55.69 53.97 2kfy s MET 2 Cb 0.00 0.37 0.01 0.00 1.25 0.00 0.00 34.83 36.47 2kfy s MET 2 CO 0.00 -0.27 0.65 -0.48 1.05 0.00 0.00 175.02 175.97 2kfy s LEU 3 N -1.74 -0.08 0.00 4.11 2.34 -1.26 -5.17 118.68 116.89 2kfy s LEU 3 Ca -0.08 -0.72 0.00 0.00 0.06 0.00 0.00 54.13 53.39 2kfy s LEU 3 Cb -0.02 2.45 0.00 0.00 -0.56 0.00 0.00 46.19 48.06 2kfy s LEU 3 CO 0.01 -1.30 0.00 0.61 -1.06 0.00 0.00 176.35 174.61 2kfy n GLY 4 N -0.44 0.40 0.35 -3.48 0.00 -1.26 -4.99 105.19 95.77 2kfy n GLY 4 Ca -0.03 -0.97 0.18 0.00 0.00 0.00 0.00 46.02 45.20 2kfy n GLY 4 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2kfy h PRO 5 N 0.00 0.00 0.00 1.61 0.11 -2.03 -1.80 132.00 129.89 2kfy h PRO 5 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2kfy h PRO 5 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 2kfy h PRO 5 CO 0.00 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 176.94 2kfy n GLU 6 N -3.29 0.50 0.09 1.05 0.28 -1.26 -3.60 120.64 114.41 2kfy n GLU 6 Ca 0.02 0.00 0.06 0.00 -0.16 0.00 0.00 57.16 57.08 2kfy n GLU 6 Cb 0.44 -1.34 0.33 0.00 1.43 0.00 0.00 31.44 32.31 2kfy n GLU 6 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2kfy n GLY 7 N 0.00 -0.73 0.00 -1.84 0.00 -0.68 -4.79 105.19 97.15 2kfy n GLY 7 Ca 0.08 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 -1.30 0.85 0.14 -0.02 0.00 -1.24 -4.16 105.19 99.46 2kfy n GLY 8 Ca -0.01 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.11 0.00 0.00 1.61 1.02 -1.24 -4.92 120.64 117.00 2kfy n GLU 9 Ca 0.00 -0.34 0.10 0.00 -0.02 0.00 0.00 57.16 56.90 2kfy n GLU 9 Cb 0.00 -0.27 0.07 0.00 -0.02 0.00 0.00 31.44 31.23 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 0.00 0.55 3.66 0.62 0.00 -1.26 -4.96 105.19 103.80 2kfy n GLY 10 Ca 0.00 -0.59 -0.26 0.00 0.00 0.00 0.00 46.02 45.18 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 0.99 -2.65 -4.28 1.61 3.72 -1.26 -4.79 117.46 110.79 2kfy n PHE 11 Ca 0.11 0.95 -0.24 0.00 -0.05 0.00 0.00 57.45 58.23 2kfy n PHE 11 Cb 0.50 -4.66 -0.12 0.00 -0.94 0.00 0.00 39.48 34.25 2kfy n PHE 11 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 2kfy s VAL 12 N -3.30 1.68 0.06 -4.37 1.01 -1.26 0.08 120.40 114.30 2kfy s VAL 12 Ca 0.59 -1.53 0.01 0.00 0.00 0.00 0.00 61.98 61.05 2kfy s VAL 12 Cb -0.27 -1.53 -0.03 0.00 0.00 0.00 0.00 36.38 34.54 2kfy s VAL 12 CO 0.74 -0.07 -0.05 0.68 0.00 0.00 0.00 175.10 176.39 2kfy s VAL 13 N -1.17 0.43 0.49 2.92 -7.23 -0.63 -1.56 120.40 113.65 2kfy s VAL 13 Ca 0.06 -1.55 -0.06 0.00 -1.81 0.00 0.00 61.98 58.62 2kfy s VAL 13 Cb -0.10 -1.18 -0.04 0.00 0.56 0.00 0.00 36.38 35.63 2kfy s VAL 13 CO 0.04 -0.74 0.81 -0.54 -0.31 0.00 0.00 175.10 174.35 2kfy s LYS 14 N -2.99 3.56 -0.02 4.82 1.02 0.10 -0.40 119.74 125.83 2kfy s LYS 14 Ca 0.01 0.26 -0.03 0.00 0.02 0.00 0.00 55.97 56.24 2kfy s LYS 14 Cb 0.00 -2.35 0.00 0.00 -0.52 0.00 0.00 37.83 34.97 2kfy s LYS 14 CO -0.05 -0.23 0.08 -1.17 -0.92 0.00 0.00 175.35 173.06 2kfy s LEU 15 N -4.74 1.74 0.02 3.17 1.98 0.02 -2.65 118.68 118.20 2kfy s LEU 15 Ca 0.48 0.03 -0.13 0.00 -2.89 0.00 0.00 54.13 51.62 2kfy s LEU 15 Cb -0.10 0.31 0.02 0.00 0.66 0.00 0.00 46.19 47.08 2kfy s LEU 15 CO 0.45 -0.11 0.27 -0.13 -1.89 0.00 0.00 176.35 174.94 2kfy s ARG 16 N -0.36 0.70 0.00 1.98 0.52 -1.02 -0.00 118.95 120.77 2kfy s ARG 16 Ca -0.04 -0.39 0.00 0.00 -0.52 0.00 0.00 55.73 54.78 2kfy s ARG 16 Cb -0.03 0.30 0.00 0.00 0.52 0.00 0.00 34.95 35.75 2kfy s ARG 16 CO 0.00 -0.20 0.00 0.41 0.02 0.00 0.00 175.30 175.53 2kfy n GLY 17 N 0.96 2.24 1.40 -3.53 0.00 -1.12 -0.13 105.19 105.01 2kfy n GLY 17 Ca -0.20 -1.30 0.11 0.00 0.00 0.00 0.00 46.02 44.63 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 -1.19 -3.85 0.99 4.77 -1.17 -4.43 117.00 112.13 2kfy n LEU 18 Ca 0.00 2.43 -0.39 0.00 -0.03 0.00 0.00 56.01 58.02 2kfy n LEU 18 Cb 0.00 -2.87 -0.07 0.00 -2.33 0.00 0.00 43.42 38.14 2kfy n LEU 18 CO 0.00 -1.58 1.82 -0.81 -1.33 0.00 0.00 177.39 175.49 2kfy n PRO 19 N -3.64 1.18 -3.32 3.23 -0.04 -1.26 -4.28 135.00 126.87 2kfy n PRO 19 Ca -0.06 -1.81 -0.22 0.00 -0.04 0.00 0.00 63.50 61.37 2kfy n PRO 19 Cb 0.58 -3.06 -0.01 0.00 -0.04 0.00 0.00 33.50 30.97 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 9.85 -1.74 -3.74 0.54 8.01 -1.26 -4.95 117.44 124.15 2kfy n TRP 20 Ca 0.48 0.42 -0.12 0.00 -1.31 0.00 0.00 57.50 56.96 2kfy n TRP 20 Cb 0.42 -2.73 -0.12 0.00 -2.01 0.00 0.00 31.31 26.87 2kfy n TRP 20 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.69 175.14 2kfy s SER 21 N -2.66 -0.30 0.16 -0.99 1.04 -0.93 -4.40 113.70 105.62 2kfy s SER 21 Ca 0.37 0.57 -0.25 0.00 0.48 0.00 0.00 55.95 57.13 2kfy s SER 21 Cb -0.20 0.49 0.07 0.00 0.10 0.00 0.00 66.02 66.47 2kfy s SER 21 CO 0.46 -0.15 0.97 0.00 0.98 0.00 0.00 173.24 175.50 2kfy s SER 23 N -3.00 0.10 0.45 0.00 1.04 -1.26 -5.04 113.70 105.99 2kfy s SER 23 Ca 0.13 -1.20 0.31 0.00 0.48 0.00 0.00 55.95 55.67 2kfy s SER 23 Cb -0.02 0.48 1.39 0.00 0.10 0.00 0.00 66.02 67.98 2kfy s SER 23 CO 0.03 -0.99 1.93 -0.37 0.98 0.00 0.00 173.24 174.82 2kfy h VAL 24 N 2.44 0.00 0.00 5.02 -1.51 -2.00 -2.40 116.25 117.79 2kfy h VAL 24 Ca -0.31 -0.29 -0.18 0.00 -1.23 0.00 0.00 66.70 64.69 2kfy h VAL 24 Cb 1.25 1.16 -0.03 0.00 -2.13 0.00 0.00 31.29 31.54 2kfy h VAL 24 CO 0.45 0.00 -1.11 -0.33 -1.23 0.00 0.00 177.57 175.35 2kfy h GLU 25 N 0.00 0.00 0.07 5.19 5.08 -1.99 -3.00 114.58 119.94 2kfy h GLU 25 Ca 0.00 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.10 2kfy h GLU 25 Cb 0.34 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.60 2kfy h GLU 25 CO 0.00 0.52 -1.12 -0.44 -1.00 0.00 0.00 179.01 176.97 2kfy h ASP 26 N 0.00 0.57 -0.25 1.42 3.32 -1.85 -2.73 116.42 116.91 2kfy h ASP 26 Ca -0.11 -0.52 -0.20 0.00 0.02 0.00 0.00 57.03 56.22 2kfy h ASP 26 Cb 1.62 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 41.00 2kfy h ASP 26 CO 0.07 1.36 -0.61 1.62 -1.72 0.00 0.00 179.24 179.96 2kfy h VAL 27 N 0.18 1.27 0.00 -1.35 3.04 -1.60 -2.42 116.25 115.38 2kfy h VAL 27 Ca -0.12 -1.79 -0.04 0.00 -1.01 0.00 0.00 66.70 63.73 2kfy h VAL 27 Cb 1.79 1.71 -0.01 0.00 -2.01 0.00 0.00 31.29 32.78 2kfy h VAL 27 CO 0.19 0.58 -0.20 0.06 -1.01 0.00 0.00 177.57 177.19 2kfy h GLN 28 N 0.64 0.00 0.00 4.17 3.07 -1.62 -2.38 115.11 119.00 2kfy h GLN 28 Ca -0.00 0.00 -0.10 0.00 0.09 0.00 0.00 58.65 58.64 2kfy h GLN 28 Cb 1.22 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.77 2kfy h GLN 28 CO 0.13 0.20 -0.46 -0.97 0.09 0.00 0.00 178.83 177.82 2kfy h ASN 29 N 0.00 0.00 0.67 0.06 -1.24 -1.24 -3.29 115.58 110.53 2kfy h ASN 29 Ca -0.00 0.00 -0.26 0.00 0.71 0.00 0.00 56.30 56.74 2kfy h ASN 29 Cb 0.69 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.70 2kfy h ASN 29 CO 0.03 0.46 -1.41 0.15 -1.29 0.00 0.00 177.43 175.36 2kfy h PHE 30 N 0.00 0.09 -1.63 0.67 3.57 -0.94 -3.30 116.94 115.40 2kfy h PHE 30 Ca -0.00 -0.07 -0.68 0.00 3.53 0.00 0.00 57.97 60.75 2kfy h PHE 30 Cb 0.91 -0.00 -0.22 0.00 2.79 0.00 0.00 35.95 39.42 2kfy h PHE 30 CO 0.00 1.09 0.96 1.28 -2.23 0.00 0.00 178.31 179.40 2kfy n LEU 31 N -3.24 7.20 0.00 0.59 7.99 -1.06 -4.80 117.00 123.67 2kfy n LEU 31 Ca -0.11 -4.65 0.00 0.00 -0.01 0.00 0.00 56.01 51.25 2kfy n LEU 31 Cb 1.01 -1.17 0.01 0.00 -0.11 0.00 0.00 43.42 43.16 2kfy n LEU 31 CO 0.47 1.82 0.09 -1.54 -1.51 0.00 0.00 177.39 176.71 2kfy n SER 32 N 0.23 0.00 0.00 -1.43 3.41 -1.25 -1.03 113.62 113.55 2kfy n SER 32 Ca 0.52 -0.22 0.00 0.00 -0.26 0.00 0.00 58.87 58.91 2kfy n SER 32 Cb 0.35 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.30 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 -0.55 1.20 -3.43 4.04 8.00 -1.26 -5.09 116.55 119.46 2kfy n ASP 33 Ca 0.00 -1.50 -0.20 0.00 0.71 0.00 0.00 54.79 53.80 2kfy n ASP 33 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.05 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 -2.61 0.67 -0.32 0.00 2.01 -1.26 -5.04 115.64 109.08 2kfy s THR 35 Ca 0.12 -0.28 -0.01 0.00 0.31 0.00 0.00 61.69 61.83 2kfy s THR 35 Cb 0.01 -0.62 0.18 0.00 0.01 0.00 0.00 72.50 72.08 2kfy s THR 35 CO 0.08 0.22 2.15 -0.38 -0.69 0.00 0.00 174.62 176.01 2kfy n ILE 36 N 3.46 2.83 0.00 1.82 -0.00 -1.26 -3.50 119.36 122.71 2kfy n ILE 36 Ca -0.20 -1.79 0.00 0.00 -0.00 0.00 0.00 62.75 60.77 2kfy n ILE 36 Cb 0.54 -1.39 0.00 0.00 -0.00 0.00 0.00 39.64 38.79 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 0.50 0.00 -0.60 1.39 -0.00 -1.12 -2.06 115.22 113.33 2kfy n HIS 37 Ca 0.32 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 58.04 2kfy n HIS 37 Cb 0.58 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.57 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 0.29 0.00 0.00 0.26 8.00 -1.26 -4.85 116.55 118.99 2kfy n ASP 38 Ca 0.00 -0.13 0.00 0.00 0.71 0.00 0.00 54.79 55.37 2kfy n ASP 38 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 2kfy n ASP 38 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2kfy n GLY 39 N 0.00 0.77 0.00 0.44 0.00 -0.87 -4.33 105.19 101.19 2kfy n GLY 39 Ca 0.00 -1.36 0.01 0.00 0.00 0.00 0.00 46.02 44.67 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 1.28 1.66 -0.75 4.61 0.00 -1.26 -1.48 120.51 124.57 2kfy n ALA 40 Ca 0.00 -0.02 0.07 0.00 0.00 0.00 0.00 53.44 53.50 2kfy n ALA 40 Cb 0.00 -1.04 0.17 0.00 0.00 0.00 0.00 19.45 18.57 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 -0.80 2.49 -1.05 0.00 0.00 -1.26 -4.49 120.51 115.40 2kfy n ALA 41 Ca 0.02 -2.05 0.00 0.00 0.00 0.00 0.00 53.44 51.41 2kfy n ALA 41 Cb 0.01 -0.46 0.00 0.00 0.00 0.00 0.00 19.45 19.00 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 -0.65 -0.21 3.81 0.00 0.00 -0.55 -4.66 105.19 102.94 2kfy n GLY 42 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 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 3.96 0.16 1.61 0.11 -1.21 -2.89 120.40 122.14 2kfy s VAL 43 Ca 0.00 0.77 -0.15 0.00 -2.93 0.00 0.00 61.98 59.67 2kfy s VAL 43 Cb 0.00 -3.41 0.02 0.00 -1.53 0.00 0.00 36.38 31.47 2kfy s VAL 43 CO 0.00 -0.70 0.41 -1.00 -3.33 0.00 0.00 175.10 170.48 2kfy s HIS 44 N -2.77 -0.03 0.24 1.54 3.76 -1.12 -4.97 115.29 111.94 2kfy s HIS 44 Ca 0.60 -0.31 -0.05 0.00 -0.15 0.00 0.00 55.06 55.15 2kfy s HIS 44 Cb -0.15 0.23 -0.02 0.00 1.11 0.00 0.00 32.58 33.75 2kfy s HIS 44 CO 0.46 -0.78 0.32 -0.06 -0.85 0.00 0.00 174.74 173.83 2kfy s PHE 45 N -3.87 0.86 -0.44 1.40 0.08 -1.26 -2.96 117.98 111.79 2kfy s PHE 45 Ca 0.08 -1.12 0.07 0.00 0.12 0.00 0.00 56.93 56.08 2kfy s PHE 45 Cb 0.01 -0.21 0.24 0.00 -0.57 0.00 0.00 43.02 42.49 2kfy s PHE 45 CO -0.06 -0.85 0.55 -0.89 -0.10 0.00 0.00 175.22 173.86 2kfy n ILE 46 N -0.37 -0.17 -3.13 0.64 5.41 -0.81 -4.86 119.36 116.08 2kfy n ILE 46 Ca 0.01 -4.19 0.00 0.00 1.00 0.00 0.00 62.75 59.57 2kfy n ILE 46 Cb 0.64 -1.96 0.00 0.00 -0.71 0.00 0.00 39.64 37.60 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 1.43 -0.18 -4.21 1.39 4.11 -1.26 -4.53 117.16 113.90 2kfy n TYR 47 Ca 0.23 0.00 -0.12 0.00 -0.00 0.00 0.00 57.90 58.01 2kfy n TYR 47 Cb 0.50 0.00 -0.10 0.00 -0.00 0.00 0.00 39.34 39.74 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 -2.05 0.84 -2.00 -3.48 -4.23 -1.26 -4.71 115.64 98.75 2kfy s THR 48 Ca 0.00 -1.98 0.03 0.00 -1.18 0.00 0.00 61.69 58.56 2kfy s THR 48 Cb 0.00 -1.83 0.10 0.00 1.34 0.00 0.00 72.50 72.11 2kfy s THR 48 CO 0.00 -0.75 0.73 -2.11 -0.54 0.00 0.00 174.62 171.95 2kfy n ARG 49 N -0.13 0.56 -0.39 3.99 -4.01 -1.26 -2.14 116.66 113.27 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 0.61 -1.10 0.00 0.00 -3.04 0.00 0.00 32.46 28.93 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 -0.60 0.00 0.00 2.89 4.07 -1.26 -5.10 120.64 120.64 2kfy n GLU 50 Ca 0.03 -0.54 0.00 0.00 -0.06 0.00 0.00 57.16 56.58 2kfy n GLU 50 Cb 0.01 -0.30 0.00 0.00 -0.06 0.00 0.00 31.44 31.09 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 0.00 5.34 0.00 8.31 0.00 -0.91 -5.09 105.19 112.84 2kfy n GLY 51 Ca 0.00 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 44.41 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 0.00 1.61 5.12 -1.26 -4.83 116.66 117.29 2kfy n ARG 52 Ca 0.00 -0.07 0.00 0.00 -1.93 0.00 0.00 57.85 55.85 2kfy n ARG 52 Cb 0.00 -0.09 0.00 0.00 -1.16 0.00 0.00 32.46 31.21 2kfy n ARG 52 CO 0.00 0.00 0.00 0.94 -1.93 0.00 0.00 177.63 176.64 2kfy n GLN 53 N 0.00 0.61 -0.37 5.56 0.00 -1.26 -4.51 117.38 117.41 2kfy n GLN 53 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 57.00 56.88 2kfy n GLN 53 Cb 0.45 -1.03 -0.01 0.00 0.00 0.00 0.00 30.24 29.65 2kfy n GLN 53 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 2kfy n SER 54 N -0.44 2.33 0.00 1.69 2.88 -1.26 -3.59 113.62 115.24 2kfy n SER 54 Ca 0.00 -2.17 0.00 0.00 -1.33 0.00 0.00 58.87 55.37 2kfy n SER 54 Cb 0.01 -0.79 0.00 0.00 -0.75 0.00 0.00 64.21 62.69 2kfy n SER 54 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2kfy n GLY 55 N 3.92 -2.13 3.20 0.46 0.00 -1.26 -2.18 105.19 107.19 2kfy n GLY 55 Ca 0.22 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.11 2kfy n GLY 55 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2kfy s GLU 56 N -0.11 0.47 0.17 1.61 2.12 -1.24 -2.79 118.70 118.94 2kfy s GLU 56 Ca 0.00 0.13 -0.09 0.00 0.36 0.00 0.00 54.97 55.37 2kfy s GLU 56 Cb 0.00 0.22 0.03 0.00 0.26 0.00 0.00 34.13 34.64 2kfy s GLU 56 CO 0.00 -0.10 0.45 0.00 -0.54 0.00 0.00 175.26 175.08 2kfy n ALA 57 N 2.22 -1.08 -2.19 6.30 0.00 0.99 -1.92 120.51 124.83 2kfy n ALA 57 Ca -0.17 -0.63 -0.11 0.00 0.00 0.00 0.00 53.44 52.53 2kfy n ALA 57 Cb 0.57 0.46 -0.10 0.00 0.00 0.00 0.00 19.45 20.38 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 -4.97 0.99 -0.22 0.00 0.08 -1.16 -0.80 117.98 111.90 2kfy s PHE 58 Ca 0.09 -1.07 -0.04 0.00 0.12 0.00 0.00 56.93 56.04 2kfy s PHE 58 Cb -0.02 -0.57 0.10 0.00 -0.57 0.00 0.00 43.02 41.95 2kfy s PHE 58 CO 0.05 -0.30 0.22 0.08 -0.10 0.00 0.00 175.22 175.17 2kfy s VAL 59 N -3.79 -0.32 0.49 -0.44 1.01 0.47 -2.78 120.40 115.05 2kfy s VAL 59 Ca 0.20 -0.19 -0.20 0.00 0.00 0.00 0.00 61.98 61.78 2kfy s VAL 59 Cb 0.07 -0.73 -0.08 0.00 0.00 0.00 0.00 36.38 35.64 2kfy s VAL 59 CO 0.00 -0.26 1.07 -1.61 0.00 0.00 0.00 175.10 174.30 2kfy s GLU 60 N 2.32 3.72 0.32 2.72 2.02 -1.14 -1.60 118.70 127.05 2kfy s GLU 60 Ca 0.07 1.45 0.02 0.00 0.02 0.00 0.00 54.97 56.54 2kfy s GLU 60 Cb -0.16 -2.12 -0.01 0.00 0.10 0.00 0.00 34.13 31.94 2kfy s GLU 60 CO -0.16 -0.51 0.09 1.28 0.02 0.00 0.00 175.26 175.98 2kfy n LEU 61 N -0.95 0.00 -0.04 1.80 4.77 0.11 -2.78 117.00 119.91 2kfy n LEU 61 Ca 0.09 -2.33 -0.15 0.00 -0.03 0.00 0.00 56.01 53.59 2kfy n LEU 61 Cb 0.52 0.66 -0.14 0.00 -2.33 0.00 0.00 43.42 42.13 2kfy n LEU 61 CO 0.41 -0.35 -0.83 0.61 -1.33 0.00 0.00 177.39 175.89 2kfy n GLY 62 N 0.12 -0.73 3.60 -0.72 0.00 -1.23 -4.31 105.19 101.92 2kfy n GLY 62 Ca -0.07 -0.19 -0.10 0.00 0.00 0.00 0.00 46.02 45.66 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 -6.46 0.12 0.48 1.61 0.01 -1.26 -5.03 113.70 103.16 2kfy s SER 63 Ca -0.17 -1.05 0.14 0.00 1.31 0.00 0.00 55.95 56.18 2kfy s SER 63 Cb 0.07 0.64 1.13 0.00 0.21 0.00 0.00 66.02 68.07 2kfy s SER 63 CO 0.77 -1.24 2.09 -0.08 0.41 0.00 0.00 173.24 175.19 2kfy h GLU 64 N 2.19 0.21 0.00 12.44 4.81 -1.96 -1.72 114.58 130.55 2kfy h GLU 64 Ca -0.27 -0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 58.89 2kfy h GLU 64 Cb 1.25 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.57 2kfy h GLU 64 CO 0.36 0.14 -0.28 0.22 -0.73 0.00 0.00 179.01 178.71 2kfy h ASP 65 N 0.21 0.00 0.13 1.04 3.58 -1.99 -1.55 116.42 117.84 2kfy h ASP 65 Ca 0.10 0.00 -0.29 0.00 0.42 0.00 0.00 57.03 57.26 2kfy h ASP 65 Cb 0.15 0.00 0.03 0.00 1.72 0.00 0.00 39.33 41.23 2kfy h ASP 65 CO -0.02 0.28 -1.22 0.44 -2.88 0.00 0.00 179.24 175.85 2kfy h ASP 66 N 0.00 0.87 -0.45 2.28 3.32 -1.68 -2.46 116.42 118.29 2kfy h ASP 66 Ca -0.00 -0.79 -0.14 0.00 0.02 0.00 0.00 57.03 56.12 2kfy h ASP 66 Cb 0.56 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.83 2kfy h ASP 66 CO 0.04 1.59 -0.26 1.62 -1.72 0.00 0.00 179.24 180.51 2kfy h VAL 67 N 0.29 1.27 -0.47 -1.35 3.04 -1.33 0.05 116.25 117.74 2kfy h VAL 67 Ca -0.18 -1.43 -0.01 0.00 -1.01 0.00 0.00 66.70 64.08 2kfy h VAL 67 Cb 1.89 1.20 -0.02 0.00 -2.01 0.00 0.00 31.29 32.35 2kfy h VAL 67 CO 0.23 0.49 0.27 0.11 -1.01 0.00 0.00 177.57 177.66 2kfy h LYS 68 N 0.82 0.65 0.00 4.17 1.57 -1.36 -2.44 116.57 119.98 2kfy h LYS 68 Ca 0.10 -0.07 -0.07 0.00 -1.87 0.00 0.00 60.65 58.73 2kfy h LYS 68 Cb 0.84 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.01 2kfy h LYS 68 CO 0.07 0.50 -0.34 0.52 -0.57 0.00 0.00 179.45 179.63 2kfy h MET 69 N 0.63 0.00 -0.05 3.15 2.86 -1.25 -2.78 114.93 117.48 2kfy h MET 69 Ca 0.17 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.68 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 0.34 -0.57 0.00 1.06 0.00 0.00 176.91 177.71 2kfy h ALA 70 N 1.66 0.95 0.00 6.32 0.00 -0.67 -3.01 119.26 124.52 2kfy h ALA 70 Ca -0.00 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.39 2kfy h ALA 70 Cb 0.80 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.50 2kfy h ALA 70 CO 0.04 0.71 0.00 -0.07 0.00 0.00 0.00 179.25 179.93 2kfy h LEU 71 N 0.11 0.00 0.00 0.00 3.38 -1.17 -3.18 115.31 114.45 2kfy h LEU 71 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 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 -2.87 0.06 -0.97 1.13 4.76 -1.13 -2.32 118.16 116.81 2kfy n LYS 72 Ca 0.03 0.28 0.04 0.00 -2.87 0.00 0.00 58.31 55.80 2kfy n LYS 72 Cb 0.43 -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 -1.39 0.43 0.00 1.97 0.00 -1.20 -4.93 118.16 113.03 2kfy n LYS 73 Ca 0.03 -2.09 0.00 0.00 -0.00 0.00 0.00 58.31 56.25 2kfy n LYS 73 Cb 0.08 -0.57 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 -0.11 0.00 -0.96 -5.58 5.68 -0.98 -1.66 116.55 112.95 2kfy n ASP 74 Ca 0.08 0.12 -0.04 0.00 -0.50 0.00 0.00 54.79 54.46 2kfy n ASP 74 Cb 0.91 -0.12 -0.04 0.00 -1.14 0.00 0.00 41.12 40.73 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 -1.01 0.00 0.00 0.11 1.85 -1.25 -1.45 116.66 114.90 2kfy n ARG 75 Ca 0.00 -0.96 0.00 0.00 -1.00 0.00 0.00 57.85 55.89 2kfy n ARG 75 Cb 0.21 0.27 0.00 0.00 -1.05 0.00 0.00 32.46 31.90 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 0.08 1.41 -3.87 2.89 -0.58 -0.66 -4.60 120.64 115.31 2kfy n GLU 76 Ca -0.16 0.00 -0.11 0.00 -0.42 0.00 0.00 57.16 56.47 2kfy n GLU 76 Cb 0.73 0.00 -0.09 0.00 -0.57 0.00 0.00 31.44 31.51 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 -1.33 0.04 0.10 1.62 0.15 -1.26 -0.89 113.70 112.13 2kfy s SER 77 Ca 0.00 -0.28 0.21 0.00 0.70 0.00 0.00 55.95 56.57 2kfy s SER 77 Cb 0.00 0.23 0.84 0.00 -1.71 0.00 0.00 66.02 65.39 2kfy s SER 77 CO 0.00 -0.44 1.64 0.23 1.20 0.00 0.00 173.24 175.87 2kfy n MET 78 N 1.15 0.09 0.00 5.44 2.81 -1.15 -4.82 117.12 120.63 2kfy n MET 78 Ca -0.21 0.26 0.00 0.00 -1.81 0.00 0.00 57.70 55.94 2kfy n MET 78 Cb 0.57 -1.65 0.00 0.00 -0.71 0.00 0.00 33.22 31.43 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 0.36 1.13 0.00 3.03 0.00 -1.26 -4.93 105.19 103.53 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 -3.60 1.61 8.25 -1.26 -5.13 115.22 115.10 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 0.90 0.16 -0.41 6.06 -1.26 -5.14 118.95 119.26 2kfy s ARG 81 Ca 0.00 0.43 -0.32 0.00 -2.50 0.00 0.00 55.73 53.34 2kfy s ARG 81 Cb 0.00 0.43 -0.11 0.00 0.06 0.00 0.00 34.95 35.33 2kfy s ARG 81 CO 0.00 -0.23 1.67 -0.47 -2.50 0.00 0.00 175.30 173.78 2kfy s TYR 82 N -0.67 2.80 0.27 5.12 5.04 -1.26 -2.93 117.35 125.72 2kfy s TYR 82 Ca -0.07 0.39 0.08 0.00 -2.44 0.00 0.00 57.07 55.03 2kfy s TYR 82 Cb -0.02 -4.05 -0.05 0.00 0.35 0.00 0.00 41.96 38.19 2kfy s TYR 82 CO 0.06 -4.01 -0.10 0.42 -1.34 0.00 0.00 175.55 170.57 2kfy s ILE 83 N 1.55 1.87 0.08 3.14 -1.09 -0.07 -3.04 121.20 123.63 2kfy s ILE 83 Ca 0.74 -2.20 -0.09 0.00 -2.23 0.00 0.00 60.65 56.87 2kfy s ILE 83 Cb -0.46 -2.36 0.00 0.00 -1.58 0.00 0.00 42.46 38.06 2kfy s ILE 83 CO 0.32 -0.37 0.20 -1.61 -1.23 0.00 0.00 174.94 172.25 2kfy s GLU 84 N -3.66 0.81 0.04 2.79 2.02 0.81 -3.40 118.70 118.11 2kfy s GLU 84 Ca 0.28 -0.86 -0.06 0.00 0.02 0.00 0.00 54.97 54.35 2kfy s GLU 84 Cb 0.01 0.33 -0.01 0.00 0.10 0.00 0.00 34.13 34.57 2kfy s GLU 84 CO 0.12 -0.25 0.11 0.08 0.02 0.00 0.00 175.26 175.34 2kfy s VAL 85 N -3.51 0.13 0.05 2.63 1.01 -0.53 -2.43 120.40 117.75 2kfy s VAL 85 Ca 0.02 -1.08 -0.22 0.00 0.00 0.00 0.00 61.98 60.71 2kfy s VAL 85 Cb 0.03 -0.92 0.05 0.00 0.00 0.00 0.00 36.38 35.54 2kfy s VAL 85 CO -0.09 -0.59 0.51 0.12 0.00 0.00 0.00 175.10 175.04 2kfy s PHE 86 N -2.66 -0.40 0.49 5.22 2.19 -1.09 -4.67 117.98 117.07 2kfy s PHE 86 Ca -0.04 0.42 -0.19 0.00 0.33 0.00 0.00 56.93 57.45 2kfy s PHE 86 Cb -0.01 0.33 -0.08 0.00 -1.31 0.00 0.00 43.02 41.95 2kfy s PHE 86 CO -0.05 -0.64 1.01 0.21 1.83 0.00 0.00 175.22 177.58 2kfy s LYS 87 N -2.51 3.87 0.35 10.12 2.20 -1.26 0.01 119.74 132.52 2kfy s LYS 87 Ca -0.05 1.22 0.01 0.00 -0.36 0.00 0.00 55.97 56.79 2kfy s LYS 87 Cb -0.01 -2.11 -0.01 0.00 -1.51 0.00 0.00 37.83 34.19 2kfy s LYS 87 CO -0.02 -0.36 0.42 0.45 -0.36 0.00 0.00 175.35 175.49 2kfy s SER 88 N -2.29 1.23 0.00 1.43 0.15 -0.60 -4.59 113.70 109.02 2kfy s SER 88 Ca 0.64 -1.60 0.00 0.00 0.70 0.00 0.00 55.95 55.69 2kfy s SER 88 Cb -0.13 0.64 0.00 0.00 -1.71 0.00 0.00 66.02 64.82 2kfy s SER 88 CO 0.22 -1.25 0.44 0.00 1.20 0.00 0.00 173.24 173.85 2kfy n HIS 89 N -0.60 0.00 0.00 3.44 1.44 -1.26 -3.72 115.22 114.52 2kfy n HIS 89 Ca 0.03 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.74 2kfy n HIS 89 Cb 0.62 0.06 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 -0.11 -1.40 0.63 -1.26 -4.48 116.66 110.04 2kfy n ARG 90 Ca 0.00 0.00 -0.12 0.00 -0.92 0.00 0.00 57.85 56.81 2kfy n ARG 90 Cb 0.53 -0.87 -0.00 0.00 0.45 0.00 0.00 32.46 32.57 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 -0.31 5.15 2.02 -2.00 -2.13 112.91 116.92 2kfy h THR 91 Ca 0.00 -1.54 -0.11 0.00 0.77 0.00 0.00 66.41 65.52 2kfy h THR 91 Cb 0.00 1.37 -0.01 0.00 -1.74 0.00 0.00 68.15 67.77 2kfy h THR 91 CO 0.00 0.51 -0.28 -0.08 0.37 0.00 0.00 175.52 176.04 2kfy h GLU 92 N 0.74 0.63 -0.29 6.66 4.81 -1.99 -2.43 114.58 122.71 2kfy h GLU 92 Ca 0.06 -0.27 0.03 0.00 -0.13 0.00 0.00 59.36 59.06 2kfy h GLU 92 Cb 0.95 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.28 2kfy h GLU 92 CO 0.09 0.85 0.11 1.98 -0.73 0.00 0.00 179.01 181.31 2kfy h MET 93 N 0.54 0.24 0.00 1.92 4.05 -1.86 -1.93 114.93 117.90 2kfy h MET 93 Ca 0.07 -0.01 -0.08 0.00 -0.28 0.00 0.00 59.70 59.39 2kfy h MET 93 Cb 0.77 -0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 31.50 2kfy h MET 93 CO 0.06 0.16 -0.40 0.22 0.23 0.00 0.00 176.91 177.18 2kfy h ASP 94 N 0.24 0.00 1.11 1.39 3.58 -1.32 -0.74 116.42 120.68 2kfy h ASP 94 Ca 0.13 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.57 2kfy h ASP 94 Cb 0.09 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.14 2kfy h ASP 94 CO -0.12 0.40 -0.02 -0.25 -2.88 0.00 0.00 179.24 176.37 2kfy h TRP 95 N 0.00 0.00 0.00 0.28 7.01 -0.85 -3.29 115.95 119.11 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 0.73 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.79 2kfy h TRP 95 CO 0.00 0.02 -0.26 1.55 -2.79 0.00 0.00 178.44 176.96 2kfy n VAL 96 N -3.12 0.00 0.97 2.65 3.14 -1.02 -4.32 118.33 116.63 2kfy n VAL 96 Ca 0.01 -0.30 0.08 0.00 -2.96 0.00 0.00 64.34 61.18 2kfy n VAL 96 Cb 0.34 0.83 0.48 0.00 -1.06 0.00 0.00 33.84 34.42 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 -0.99 0.00 0.00 6.55 7.99 -0.30 -1.80 117.00 128.45 2kfy n LEU 97 Ca 0.00 0.11 0.00 0.00 -0.01 0.00 0.00 56.01 56.11 2kfy n LEU 97 Cb 0.00 -0.11 0.00 0.00 -0.11 0.00 0.00 43.42 43.20 2kfy n LEU 97 CO 0.00 -0.05 0.32 0.29 -1.51 0.00 0.00 177.39 176.44 2kfy n LYS 98 N -1.11 0.82 -1.20 3.23 5.02 -1.24 -4.68 118.16 118.99 2kfy n LYS 98 Ca 0.11 -0.84 0.01 0.00 -2.02 0.00 0.00 58.31 55.57 2kfy n LYS 98 Cb 0.09 -0.88 -0.01 0.00 -0.02 0.00 0.00 35.03 34.21 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 -0.20 0.00 0.09 2.13 8.25 -1.10 -4.94 115.22 119.45 2kfy n HIS 99 Ca 0.00 -0.41 0.01 0.00 -0.26 0.00 0.00 57.72 57.06 2kfy n HIS 99 Cb 0.19 0.05 0.05 0.00 1.12 0.00 0.00 29.99 31.39 2kfy n HIS 99 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 2kfy n SER 100 N 0.29 0.00 0.02 0.41 7.64 -0.75 -4.46 113.62 116.77 2kfy n SER 100 Ca -0.04 0.30 0.00 0.00 1.01 0.00 0.00 58.87 60.15 2kfy n SER 100 Cb 0.95 -0.33 0.00 0.00 -1.01 0.00 0.00 64.21 63.82 2kfy n SER 100 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2kfy n GLY 101 N -1.16 -0.54 0.00 0.23 0.00 -1.26 -4.28 105.19 98.18 2kfy n GLY 101 Ca 0.01 0.16 0.10 0.00 0.00 0.00 0.00 46.02 46.28 2kfy n GLY 101 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77