#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 1.53 0.00 3.17 1.00 -1.26 -5.03 119.30 118.71 2kfy s MET 2 Ca 0.00 -1.77 0.15 0.00 0.00 0.00 0.00 55.69 54.07 2kfy s MET 2 Cb 0.00 0.33 0.76 0.00 0.00 0.00 0.00 34.83 35.92 2kfy s MET 2 CO 0.00 -0.56 1.40 1.28 0.00 0.00 0.00 175.02 177.14 2kfy n LEU 3 N -0.45 0.00 0.00 -0.03 7.99 -1.26 -4.87 117.00 118.38 2kfy n LEU 3 Ca 0.04 0.26 0.00 0.00 -0.01 0.00 0.00 56.01 56.29 2kfy n LEU 3 Cb 0.64 -0.26 0.00 0.00 -0.11 0.00 0.00 43.42 43.69 2kfy n LEU 3 CO 0.31 -0.13 0.00 0.61 -1.51 0.00 0.00 177.39 176.67 2kfy n GLY 4 N -0.03 -0.84 3.70 -0.72 0.00 -1.26 -5.17 105.19 100.87 2kfy n GLY 4 Ca 0.07 -0.98 -0.29 0.00 0.00 0.00 0.00 46.02 44.82 2kfy n GLY 4 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2kfy s PRO 5 N -2.00 0.20 0.13 1.61 0.04 -1.26 -4.92 135.00 128.80 2kfy s PRO 5 Ca 0.00 0.23 0.15 0.00 0.04 0.00 0.00 61.00 61.42 2kfy s PRO 5 Cb 0.00 -1.74 0.69 0.00 0.04 0.00 0.00 34.50 33.49 2kfy s PRO 5 CO 0.00 -2.82 1.46 0.39 0.04 0.00 0.00 177.00 176.07 2kfy n GLU 6 N -4.19 0.08 0.00 4.56 -0.58 -1.26 -4.88 120.64 114.37 2kfy n GLU 6 Ca 0.08 0.43 0.00 0.00 -0.42 0.00 0.00 57.16 57.25 2kfy n GLU 6 Cb 0.59 -1.69 0.00 0.00 -0.57 0.00 0.00 31.44 29.76 2kfy n GLU 6 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2kfy n GLY 7 N -0.60 -0.54 0.18 0.62 0.00 -1.26 -5.05 105.19 98.53 2kfy n GLY 7 Ca 0.01 -1.05 -0.00 0.00 0.00 0.00 0.00 46.02 44.99 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 -0.28 0.22 0.08 -0.02 0.00 -1.25 -4.10 105.19 99.84 2kfy n GLY 8 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.93 -3.75 1.61 1.02 -1.26 -4.82 120.64 114.37 2kfy n GLU 9 Ca -0.01 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.04 2kfy n GLU 9 Cb 0.16 -1.07 -0.05 0.00 -0.02 0.00 0.00 31.44 30.46 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 -0.92 -0.03 -0.79 0.62 0.00 -1.25 -4.95 107.32 100.00 2kfy s GLY 10 Ca 0.00 -0.31 -0.05 0.00 0.00 0.00 0.00 44.72 44.36 2kfy s GLY 10 CO 0.00 -0.41 2.73 0.69 0.00 0.00 0.00 173.10 176.11 2kfy n PHE 11 N -0.27 1.84 -4.13 1.90 3.72 -1.26 -4.56 117.46 114.71 2kfy n PHE 11 Ca -0.11 -2.28 -0.15 0.00 -0.05 0.00 0.00 57.45 54.86 2kfy n PHE 11 Cb 0.63 -1.63 -0.11 0.00 -0.94 0.00 0.00 39.48 37.42 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 -1.27 0.81 0.06 -4.37 1.01 -1.26 -1.71 120.40 113.66 2kfy s VAL 12 Ca 0.59 -1.32 -0.01 0.00 0.00 0.00 0.00 61.98 61.24 2kfy s VAL 12 Cb 0.29 -0.97 -0.04 0.00 0.00 0.00 0.00 36.38 35.66 2kfy s VAL 12 CO -0.15 -0.40 -0.03 0.68 0.00 0.00 0.00 175.10 175.20 2kfy s VAL 13 N -1.71 0.26 0.50 2.92 -7.23 -0.80 -1.84 120.40 112.50 2kfy s VAL 13 Ca -0.03 -1.82 -0.02 0.00 -1.81 0.00 0.00 61.98 58.29 2kfy s VAL 13 Cb -0.08 -1.55 0.00 0.00 0.56 0.00 0.00 36.38 35.31 2kfy s VAL 13 CO 0.01 -0.97 0.76 -0.54 -0.31 0.00 0.00 175.10 174.04 2kfy s LYS 14 N -3.92 3.03 -0.04 4.82 1.02 0.88 -0.67 119.74 124.86 2kfy s LYS 14 Ca 0.08 -0.30 -0.04 0.00 0.02 0.00 0.00 55.97 55.73 2kfy s LYS 14 Cb 0.08 -2.45 0.01 0.00 -0.52 0.00 0.00 37.83 34.95 2kfy s LYS 14 CO -0.09 -0.42 0.11 -1.17 -0.92 0.00 0.00 175.35 172.86 2kfy s LEU 15 N -4.72 1.55 0.01 3.17 1.98 -0.22 -2.81 118.68 117.64 2kfy s LEU 15 Ca 0.50 0.22 -0.07 0.00 -2.89 0.00 0.00 54.13 51.89 2kfy s LEU 15 Cb -0.10 0.38 0.00 0.00 0.66 0.00 0.00 46.19 47.12 2kfy s LEU 15 CO 0.41 -0.04 0.14 -0.13 -1.89 0.00 0.00 176.35 174.83 2kfy s ARG 16 N 0.10 0.51 0.00 1.98 0.52 -0.99 -1.39 118.95 119.68 2kfy s ARG 16 Ca -0.00 -0.45 0.00 0.00 -0.52 0.00 0.00 55.73 54.75 2kfy s ARG 16 Cb -0.01 0.21 0.00 0.00 0.52 0.00 0.00 34.95 35.67 2kfy s ARG 16 CO -0.00 -0.13 0.00 0.41 0.02 0.00 0.00 175.30 175.60 2kfy n GLY 17 N 1.32 0.73 1.50 -3.53 0.00 -1.26 -0.94 105.19 103.01 2kfy n GLY 17 Ca -0.22 -2.01 0.01 0.00 0.00 0.00 0.00 46.02 43.80 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 -1.58 -0.33 0.99 7.99 -1.20 -4.67 117.00 118.21 2kfy n LEU 18 Ca 0.00 2.72 -0.01 0.00 -0.01 0.00 0.00 56.01 58.71 2kfy n LEU 18 Cb 0.00 -2.98 0.05 0.00 -0.11 0.00 0.00 43.42 40.38 2kfy n LEU 18 CO 0.00 -0.87 0.61 -0.65 -1.51 0.00 0.00 177.39 174.97 2kfy h PRO 19 N 0.06 -0.04 0.00 3.23 0.11 -2.01 -3.38 132.00 129.97 2kfy h PRO 19 Ca -0.01 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.10 2kfy h PRO 19 Cb 0.96 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.08 2kfy h PRO 19 CO 0.00 -0.03 0.00 0.91 -0.21 0.00 0.00 178.00 178.68 2kfy n TRP 20 N -5.48 0.00 -3.89 0.65 5.03 -1.26 -5.16 117.44 107.33 2kfy n TRP 20 Ca 0.09 0.00 -0.08 0.00 3.03 0.00 0.00 57.50 60.54 2kfy n TRP 20 Cb 0.40 0.01 -0.04 0.00 -1.03 0.00 0.00 31.31 30.65 2kfy n TRP 20 CO 0.00 0.00 0.00 0.45 -0.03 0.00 0.00 177.69 178.11 2kfy s SER 21 N 0.00 -0.20 0.36 -0.99 0.15 -1.26 -4.93 113.70 106.83 2kfy s SER 21 Ca 0.00 -0.71 -0.12 0.00 0.70 0.00 0.00 55.95 55.82 2kfy s SER 21 Cb 0.00 0.65 0.03 0.00 -1.71 0.00 0.00 66.02 64.99 2kfy s SER 21 CO 0.00 -1.22 0.68 0.00 1.20 0.00 0.00 173.24 173.90 2kfy s SER 23 N -3.10 0.88 0.55 0.00 0.01 -1.26 -5.05 113.70 105.73 2kfy s SER 23 Ca 0.20 -1.02 0.36 0.00 1.31 0.00 0.00 55.95 56.80 2kfy s SER 23 Cb -0.04 0.14 1.69 0.00 0.21 0.00 0.00 66.02 68.03 2kfy s SER 23 CO 0.13 -0.53 2.08 -0.37 0.41 0.00 0.00 173.24 174.96 2kfy h VAL 24 N 3.02 0.00 0.00 3.43 -1.51 -2.00 -2.15 116.25 117.04 2kfy h VAL 24 Ca -0.35 -0.28 -0.16 0.00 -1.23 0.00 0.00 66.70 64.68 2kfy h VAL 24 Cb 1.16 1.22 -0.03 0.00 -2.13 0.00 0.00 31.29 31.51 2kfy h VAL 24 CO 0.65 0.00 -1.07 -0.33 -1.23 0.00 0.00 177.57 175.59 2kfy h GLU 25 N 0.00 0.00 0.14 5.19 5.08 -1.99 -2.98 114.58 120.02 2kfy h GLU 25 Ca 0.00 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.07 2kfy h GLU 25 Cb 0.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.54 2kfy h GLU 25 CO 0.00 0.46 -1.38 -0.44 -1.00 0.00 0.00 179.01 176.65 2kfy h ASP 26 N 0.00 0.46 -0.41 1.42 3.32 -1.82 -2.74 116.42 116.64 2kfy h ASP 26 Ca -0.10 -0.53 -0.15 0.00 0.02 0.00 0.00 57.03 56.26 2kfy h ASP 26 Cb 1.57 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.96 2kfy h ASP 26 CO 0.06 1.43 -0.34 1.62 -1.72 0.00 0.00 179.24 180.30 2kfy h VAL 27 N 0.08 1.27 0.00 -1.35 3.04 -1.57 -2.39 116.25 115.33 2kfy h VAL 27 Ca -0.19 -1.51 -0.04 0.00 -1.01 0.00 0.00 66.70 63.95 2kfy h VAL 27 Cb 2.01 1.32 -0.01 0.00 -2.01 0.00 0.00 31.29 32.60 2kfy h VAL 27 CO 0.20 0.51 -0.21 0.06 -1.01 0.00 0.00 177.57 177.12 2kfy h GLN 28 N 0.78 0.00 0.00 4.17 3.07 -1.62 -2.19 115.11 119.31 2kfy h GLN 28 Ca 0.07 0.00 -0.06 0.00 0.09 0.00 0.00 58.65 58.76 2kfy h GLN 28 Cb 0.93 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.48 2kfy h GLN 28 CO 0.09 0.21 -0.27 -0.97 0.09 0.00 0.00 178.83 177.98 2kfy h ASN 29 N 0.00 0.00 0.36 0.06 -1.24 -1.16 -3.30 115.58 110.30 2kfy h ASN 29 Ca -0.00 0.00 -0.32 0.00 0.71 0.00 0.00 56.30 56.69 2kfy h ASN 29 Cb 0.72 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.73 2kfy h ASN 29 CO 0.03 0.27 -1.78 0.15 -1.29 0.00 0.00 177.43 174.80 2kfy h PHE 30 N 0.00 0.24 -0.73 0.67 3.57 -0.91 -3.38 116.94 116.40 2kfy h PHE 30 Ca -0.00 -0.17 -0.72 0.00 3.53 0.00 0.00 57.97 60.61 2kfy h PHE 30 Cb 0.72 -0.01 -0.07 0.00 2.79 0.00 0.00 35.95 39.38 2kfy h PHE 30 CO 0.00 1.34 2.90 1.28 -2.23 0.00 0.00 178.31 181.60 2kfy n LEU 31 N -3.26 8.13 -4.57 0.59 7.99 -1.02 -4.98 117.00 119.87 2kfy n LEU 31 Ca -0.22 -4.66 -0.36 0.00 -0.01 0.00 0.00 56.01 50.75 2kfy n LEU 31 Cb 1.05 -1.45 0.07 0.00 -0.11 0.00 0.00 43.42 42.98 2kfy n LEU 31 CO 0.45 1.97 0.41 -1.20 -1.51 0.00 0.00 177.39 177.51 2kfy n SER 32 N 2.73 0.12 0.00 -1.43 7.64 -1.26 -2.38 113.62 119.04 2kfy n SER 32 Ca 0.66 0.69 0.00 0.00 1.01 0.00 0.00 58.87 61.23 2kfy n SER 32 Cb 0.26 -1.35 0.00 0.00 -1.01 0.00 0.00 64.21 62.11 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 -1.00 0.00 -4.07 6.43 8.00 -1.26 -4.90 116.55 119.75 2kfy n ASP 33 Ca 0.13 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.33 2kfy n ASP 33 Cb 0.49 -0.91 0.19 0.00 -0.02 0.00 0.00 41.12 40.87 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 -3.91 0.55 -0.31 0.00 2.01 -1.26 -5.09 115.64 107.63 2kfy s THR 35 Ca 0.75 -1.25 0.08 0.00 0.31 0.00 0.00 61.69 61.58 2kfy s THR 35 Cb -0.03 -0.82 0.46 0.00 0.01 0.00 0.00 72.50 72.12 2kfy s THR 35 CO 0.53 -0.49 1.17 -0.38 -0.69 0.00 0.00 174.62 174.76 2kfy n ILE 36 N 1.15 2.41 0.00 1.82 5.41 -1.26 -3.62 119.36 125.28 2kfy n ILE 36 Ca -0.21 -4.21 0.00 0.00 1.00 0.00 0.00 62.75 59.33 2kfy n ILE 36 Cb 0.56 -0.98 0.00 0.00 -0.71 0.00 0.00 39.64 38.51 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 -0.67 0.00 0.00 1.39 -0.00 -1.24 -2.37 115.22 112.33 2kfy n HIS 37 Ca 0.41 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 58.13 2kfy n HIS 37 Cb 0.92 -0.04 0.00 0.00 -0.00 0.00 0.00 29.99 30.87 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 0.17 0.00 -0.44 0.26 8.00 -1.26 -4.91 116.55 118.37 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 -0.29 -3.69 2.64 0.44 0.00 -1.00 -4.67 105.19 98.63 2kfy n GLY 39 Ca 0.00 -0.87 0.00 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 -0.36 0.00 -1.84 4.61 0.00 -1.26 -4.56 120.51 117.10 2kfy n ALA 40 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2kfy n ALA 40 Cb 0.00 -0.91 0.00 0.00 0.00 0.00 0.00 19.45 18.54 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 0.63 1.81 -0.80 0.00 0.00 -1.26 -4.81 120.51 116.07 2kfy n ALA 41 Ca 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 53.44 52.70 2kfy n ALA 41 Cb 0.30 -0.33 0.00 0.00 0.00 0.00 0.00 19.45 19.42 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 -0.92 3.81 0.00 0.00 -1.25 -4.71 105.19 102.13 2kfy n GLY 42 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.13 3.97 0.09 1.61 0.11 -1.26 -1.82 120.40 122.97 2kfy s VAL 43 Ca 0.00 0.73 -0.16 0.00 -2.93 0.00 0.00 61.98 59.62 2kfy s VAL 43 Cb 0.00 -3.40 0.03 0.00 -1.53 0.00 0.00 36.38 31.49 2kfy s VAL 43 CO 0.00 -0.74 0.39 -1.00 -3.33 0.00 0.00 175.10 170.42 2kfy s HIS 44 N -2.85 -0.21 0.26 1.54 3.76 -1.10 -4.92 115.29 111.78 2kfy s HIS 44 Ca 0.60 0.01 -0.04 0.00 -0.15 0.00 0.00 55.06 55.47 2kfy s HIS 44 Cb -0.15 0.22 -0.02 0.00 1.11 0.00 0.00 32.58 33.75 2kfy s HIS 44 CO 0.49 -0.63 0.34 -0.06 -0.85 0.00 0.00 174.74 174.02 2kfy s PHE 45 N -3.22 0.94 -0.47 1.40 0.08 -1.26 -2.99 117.98 112.45 2kfy s PHE 45 Ca -0.01 -1.17 0.06 0.00 0.12 0.00 0.00 56.93 55.93 2kfy s PHE 45 Cb 0.01 -0.22 0.22 0.00 -0.57 0.00 0.00 43.02 42.46 2kfy s PHE 45 CO -0.08 -0.90 0.51 -0.89 -0.10 0.00 0.00 175.22 173.76 2kfy n ILE 46 N -0.41 -0.07 -3.58 0.64 5.41 -0.43 -4.84 119.36 116.08 2kfy n ILE 46 Ca 0.01 -4.15 -0.06 0.00 1.00 0.00 0.00 62.75 59.55 2kfy n ILE 46 Cb 0.63 -1.92 0.01 0.00 -0.71 0.00 0.00 39.64 37.65 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 1.76 -1.60 -3.77 1.39 4.11 -1.26 -3.80 117.16 113.99 2kfy n TYR 47 Ca 0.25 -1.19 0.00 0.00 -0.00 0.00 0.00 57.90 56.96 2kfy n TYR 47 Cb 0.48 0.49 0.00 0.00 -0.00 0.00 0.00 39.34 40.31 2kfy n TYR 47 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.86 177.11 2kfy n THR 48 N -0.33 0.00 0.28 -3.48 -2.24 -1.26 -4.98 114.28 102.27 2kfy n THR 48 Ca -0.04 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.87 2kfy n THR 48 Cb 0.35 0.00 0.69 0.00 -2.10 0.00 0.00 70.33 69.27 2kfy n THR 48 CO 0.00 0.00 0.00 0.08 -0.57 0.00 0.00 175.07 174.58 2kfy h ARG 49 N 0.00 0.00 -0.69 -0.78 -0.00 -2.03 0.58 114.38 111.46 2kfy h ARG 49 Ca 0.00 0.00 0.08 0.00 -0.00 0.00 0.00 59.98 60.06 2kfy h ARG 49 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 29.97 29.93 2kfy h ARG 49 CO 0.00 0.00 0.45 1.49 -0.00 0.00 0.00 179.97 181.91 2kfy h GLU 50 N 0.00 0.63 0.00 0.08 4.81 -2.02 -3.47 114.58 114.61 2kfy h GLU 50 Ca 0.00 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 2kfy h GLU 50 Cb 0.58 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.82 2kfy h GLU 50 CO 0.00 0.42 0.00 0.41 -0.73 0.00 0.00 179.01 179.11 2kfy n GLY 51 N -1.47 0.81 0.00 1.92 0.00 0.19 -4.79 105.19 101.85 2kfy n GLY 51 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.85 0.00 0.00 1.61 1.85 -1.26 -4.97 116.66 113.03 2kfy n ARG 52 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 2kfy n ARG 52 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 2kfy n ARG 52 CO 0.00 0.00 0.00 0.94 -0.01 0.00 0.00 177.63 178.56 2kfy n GLN 53 N -0.03 0.00 -0.87 2.89 -0.06 -1.26 -4.29 117.38 113.76 2kfy n GLN 53 Ca 0.00 0.00 0.01 0.00 -2.00 0.00 0.00 57.00 55.01 2kfy n GLN 53 Cb 0.00 0.00 -0.00 0.00 -4.06 0.00 0.00 30.24 26.18 2kfy n GLN 53 CO 0.00 0.00 0.00 -1.13 -0.20 0.00 0.00 177.06 175.73 2kfy n SER 54 N -0.86 0.22 -0.50 1.69 3.41 -1.26 -5.08 113.62 111.23 2kfy n SER 54 Ca 0.00 -1.86 0.00 0.00 -0.26 0.00 0.00 58.87 56.75 2kfy n SER 54 Cb 0.00 -0.15 0.00 0.00 -0.26 0.00 0.00 64.21 63.80 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 0.16 6.01 0.00 5.00 0.00 -1.25 -5.15 105.19 109.96 2kfy n GLY 55 Ca -0.01 -2.07 0.00 0.00 0.00 0.00 0.00 46.02 43.94 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 -0.05 0.82 -4.00 1.61 -0.58 -1.26 -4.91 120.64 112.28 2kfy n GLU 56 Ca 0.00 0.00 -0.13 0.00 -0.42 0.00 0.00 57.16 56.61 2kfy n GLU 56 Cb 0.00 0.00 -0.02 0.00 -0.57 0.00 0.00 31.44 30.85 2kfy n GLU 56 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2kfy s ALA 57 N -2.00 0.34 0.22 0.62 0.00 -0.49 -1.31 121.76 119.14 2kfy s ALA 57 Ca 0.00 -1.31 -0.03 0.00 0.00 0.00 0.00 51.96 50.61 2kfy s ALA 57 Cb 0.00 0.99 -0.03 0.00 0.00 0.00 0.00 23.12 24.08 2kfy s ALA 57 CO 0.00 -0.86 0.22 -0.06 0.00 0.00 0.00 175.76 175.06 2kfy s PHE 58 N -2.66 1.01 -0.15 0.00 0.08 -1.16 -1.06 117.98 114.05 2kfy s PHE 58 Ca 0.26 -1.25 -0.05 0.00 0.12 0.00 0.00 56.93 56.01 2kfy s PHE 58 Cb -0.02 -0.40 0.07 0.00 -0.57 0.00 0.00 43.02 42.10 2kfy s PHE 58 CO 0.18 -0.73 0.27 0.08 -0.10 0.00 0.00 175.22 174.93 2kfy s VAL 59 N -4.09 -0.43 0.55 -0.44 1.01 0.16 -2.72 120.40 114.44 2kfy s VAL 59 Ca 0.35 0.22 -0.16 0.00 0.00 0.00 0.00 61.98 62.39 2kfy s VAL 59 Cb 0.05 -0.50 -0.06 0.00 0.00 0.00 0.00 36.38 35.87 2kfy s VAL 59 CO 0.12 0.07 1.02 -1.61 0.00 0.00 0.00 175.10 174.70 2kfy s GLU 60 N 2.43 3.64 0.15 2.72 2.02 -0.76 -1.90 118.70 127.00 2kfy s GLU 60 Ca 0.02 1.10 0.02 0.00 0.02 0.00 0.00 54.97 56.13 2kfy s GLU 60 Cb -0.13 -2.08 -0.01 0.00 0.10 0.00 0.00 34.13 32.01 2kfy s GLU 60 CO -0.09 -0.54 0.07 1.28 0.02 0.00 0.00 175.26 175.99 2kfy n LEU 61 N -1.76 0.00 -0.01 1.80 4.77 -0.70 -3.73 117.00 117.38 2kfy n LEU 61 Ca 0.08 -1.21 0.04 0.00 -0.03 0.00 0.00 56.01 54.89 2kfy n LEU 61 Cb 0.53 0.44 -0.09 0.00 -2.33 0.00 0.00 43.42 41.98 2kfy n LEU 61 CO 0.46 -0.19 -0.67 0.61 -1.33 0.00 0.00 177.39 176.27 2kfy n GLY 62 N 0.88 -0.54 3.79 -0.72 0.00 -1.24 -3.84 105.19 103.52 2kfy n GLY 62 Ca -0.01 -0.27 -0.08 0.00 0.00 0.00 0.00 46.02 45.66 2kfy n GLY 62 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2kfy s SER 63 N -3.50 -0.16 0.53 1.61 0.15 -1.26 -5.01 113.70 106.06 2kfy s SER 63 Ca -0.04 -0.77 0.18 0.00 0.70 0.00 0.00 55.95 56.01 2kfy s SER 63 Cb 0.07 0.72 1.32 0.00 -1.71 0.00 0.00 66.02 66.42 2kfy s SER 63 CO 0.49 -1.36 2.13 -0.08 1.20 0.00 0.00 173.24 175.62 2kfy h GLU 64 N 2.05 0.00 0.00 5.44 4.81 -1.95 -1.69 114.58 123.24 2kfy h GLU 64 Ca -0.23 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 58.91 2kfy h GLU 64 Cb 1.25 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.62 2kfy h GLU 64 CO 0.28 0.00 -0.43 0.22 -0.73 0.00 0.00 179.01 178.35 2kfy h ASP 65 N 0.00 0.00 0.39 1.04 3.58 -2.00 -2.33 116.42 117.11 2kfy h ASP 65 Ca 0.04 0.00 -0.27 0.00 0.42 0.00 0.00 57.03 57.22 2kfy h ASP 65 Cb 0.16 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.22 2kfy h ASP 65 CO -0.00 0.43 -1.15 0.44 -2.88 0.00 0.00 179.24 176.08 2kfy h ASP 66 N 0.00 0.59 -0.29 2.28 3.32 -1.69 -2.43 116.42 118.21 2kfy h ASP 66 Ca -0.00 -0.55 -0.14 0.00 0.02 0.00 0.00 57.03 56.35 2kfy h ASP 66 Cb 0.87 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.22 2kfy h ASP 66 CO 0.06 1.39 -0.33 1.62 -1.72 0.00 0.00 179.24 180.26 2kfy h VAL 67 N 0.18 1.28 -0.27 -1.35 3.04 -1.40 -0.37 116.25 117.36 2kfy h VAL 67 Ca -0.14 -1.49 -0.01 0.00 -1.01 0.00 0.00 66.70 64.06 2kfy h VAL 67 Cb 1.83 1.35 -0.01 0.00 -2.01 0.00 0.00 31.29 32.45 2kfy h VAL 67 CO 0.20 0.49 0.14 0.11 -1.01 0.00 0.00 177.57 177.51 2kfy h LYS 68 N 0.68 0.38 0.00 4.17 1.57 -1.47 -2.64 116.57 119.26 2kfy h LYS 68 Ca 0.07 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.74 2kfy h LYS 68 Cb 0.88 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.11 2kfy h LYS 68 CO 0.08 0.35 -0.28 0.52 -0.57 0.00 0.00 179.45 179.55 2kfy h MET 69 N 0.31 0.00 0.00 3.15 2.86 -1.23 -2.43 114.93 117.59 2kfy h MET 69 Ca 0.09 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.61 2kfy h MET 69 Cb 0.08 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.73 2kfy h MET 69 CO -0.01 0.28 -0.58 0.00 1.06 0.00 0.00 176.91 177.66 2kfy h ALA 70 N 1.72 1.00 0.00 6.32 0.00 -0.86 -3.01 119.26 124.43 2kfy h ALA 70 Ca -0.00 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.38 2kfy h ALA 70 Cb 0.55 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2kfy h ALA 70 CO 0.04 0.72 -0.02 -0.07 0.00 0.00 0.00 179.25 179.92 2kfy h LEU 71 N 0.00 0.00 0.00 0.00 3.38 -1.08 -3.24 115.31 114.37 2kfy h LEU 71 Ca -0.01 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2kfy h LEU 71 Cb 1.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.80 2kfy h LEU 71 CO 0.07 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.90 2kfy n LYS 72 N -2.33 0.08 -1.09 1.13 4.76 -1.12 -2.75 118.16 116.84 2kfy n LYS 72 Ca 0.05 0.25 0.04 0.00 -2.87 0.00 0.00 58.31 55.78 2kfy n LYS 72 Cb 0.44 -1.50 0.06 0.00 -1.84 0.00 0.00 35.03 32.18 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 -1.40 0.34 0.04 1.97 0.00 -1.22 -4.95 118.16 112.94 2kfy n LYS 73 Ca 0.04 -2.08 0.01 0.00 -0.00 0.00 0.00 58.31 56.28 2kfy n LYS 73 Cb 0.11 -0.45 0.05 0.00 -0.00 0.00 0.00 35.03 34.74 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 0.03 0.04 -1.05 -5.58 5.75 -1.11 -1.80 116.55 112.84 2kfy n ASP 74 Ca 0.08 0.22 -0.04 0.00 -0.01 0.00 0.00 54.79 55.04 2kfy n ASP 74 Cb 0.96 -0.19 -0.05 0.00 -1.03 0.00 0.00 41.12 40.82 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 -1.34 0.00 0.00 0.11 1.85 -1.26 -1.14 116.66 114.89 2kfy n ARG 75 Ca -0.00 -1.11 0.00 0.00 -1.00 0.00 0.00 57.85 55.74 2kfy n ARG 75 Cb 0.37 0.35 0.00 0.00 -1.05 0.00 0.00 32.46 32.13 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 0.09 1.28 -3.87 2.89 -0.58 -0.75 -4.63 120.64 115.08 2kfy n GLU 76 Ca -0.19 0.00 -0.11 0.00 -0.42 0.00 0.00 57.16 56.44 2kfy n GLU 76 Cb 0.77 0.00 -0.10 0.00 -0.57 0.00 0.00 31.44 31.54 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 -1.29 0.03 0.17 1.62 0.15 -1.26 -1.48 113.70 111.63 2kfy s SER 77 Ca 0.00 -0.22 0.22 0.00 0.70 0.00 0.00 55.95 56.64 2kfy s SER 77 Cb 0.00 0.21 0.88 0.00 -1.71 0.00 0.00 66.02 65.40 2kfy s SER 77 CO 0.00 -0.39 1.66 0.23 1.20 0.00 0.00 173.24 175.94 2kfy n MET 78 N 1.35 0.14 0.00 5.44 2.81 -1.20 -4.82 117.12 120.85 2kfy n MET 78 Ca -0.22 0.33 0.00 0.00 -1.81 0.00 0.00 57.70 55.99 2kfy n MET 78 Cb 0.56 -1.74 0.00 0.00 -0.71 0.00 0.00 33.22 31.33 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 0.23 0.72 0.00 3.03 0.00 -1.26 -4.94 105.19 102.97 2kfy n GLY 79 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -3.68 1.61 -0.00 -1.26 -5.14 115.22 106.75 2kfy n HIS 80 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 57.72 57.57 2kfy n HIS 80 Cb 0.00 0.01 -0.08 0.00 -0.00 0.00 0.00 29.99 29.92 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 0.77 0.06 1.57 6.06 -1.26 -5.14 118.95 121.01 2kfy s ARG 81 Ca 0.00 0.05 -0.31 0.00 -2.50 0.00 0.00 55.73 52.97 2kfy s ARG 81 Cb 0.00 0.36 -0.08 0.00 0.06 0.00 0.00 34.95 35.29 2kfy s ARG 81 CO 0.00 -0.21 1.63 -0.47 -2.50 0.00 0.00 175.30 173.75 2kfy s TYR 82 N -1.10 2.44 0.24 5.12 5.04 -1.26 -3.20 117.35 124.62 2kfy s TYR 82 Ca -0.11 0.36 0.09 0.00 -2.44 0.00 0.00 57.07 54.97 2kfy s TYR 82 Cb -0.03 -3.93 -0.05 0.00 0.35 0.00 0.00 41.96 38.29 2kfy s TYR 82 CO 0.06 -3.74 -0.15 0.42 -1.34 0.00 0.00 175.55 170.80 2kfy s ILE 83 N 2.69 1.97 0.10 3.14 -1.09 -0.55 -3.25 121.20 124.21 2kfy s ILE 83 Ca 0.73 -2.26 -0.11 0.00 -2.23 0.00 0.00 60.65 56.78 2kfy s ILE 83 Cb -0.39 -2.18 0.01 0.00 -1.58 0.00 0.00 42.46 38.32 2kfy s ILE 83 CO 0.32 -0.49 0.25 -1.61 -1.23 0.00 0.00 174.94 172.17 2kfy s GLU 84 N -3.61 0.92 -0.02 2.79 2.02 -0.12 -3.44 118.70 117.25 2kfy s GLU 84 Ca 0.26 -0.91 -0.06 0.00 0.02 0.00 0.00 54.97 54.28 2kfy s GLU 84 Cb -0.01 0.38 0.00 0.00 0.10 0.00 0.00 34.13 34.60 2kfy s GLU 84 CO 0.10 -0.31 0.12 0.08 0.02 0.00 0.00 175.26 175.27 2kfy s VAL 85 N -3.85 0.06 0.01 2.63 1.01 -0.29 -2.35 120.40 117.61 2kfy s VAL 85 Ca 0.05 -0.46 -0.10 0.00 0.00 0.00 0.00 61.98 61.46 2kfy s VAL 85 Cb 0.04 -0.34 0.01 0.00 0.00 0.00 0.00 36.38 36.09 2kfy s VAL 85 CO -0.11 -0.25 0.21 0.12 0.00 0.00 0.00 175.10 175.07 2kfy s PHE 86 N -0.87 -0.03 0.44 5.22 2.19 -1.12 -4.60 117.98 119.20 2kfy s PHE 86 Ca -0.10 -0.03 -0.23 0.00 0.33 0.00 0.00 56.93 56.91 2kfy s PHE 86 Cb -0.05 0.01 -0.08 0.00 -1.31 0.00 0.00 43.02 41.58 2kfy s PHE 86 CO 0.01 -0.36 1.09 0.21 1.83 0.00 0.00 175.22 178.00 2kfy s LYS 87 N -1.64 3.93 0.26 10.12 2.20 -1.26 -0.08 119.74 133.26 2kfy s LYS 87 Ca -0.12 1.58 0.05 0.00 -0.36 0.00 0.00 55.97 57.12 2kfy s LYS 87 Cb -0.05 -2.40 -0.02 0.00 -1.51 0.00 0.00 37.83 33.85 2kfy s LYS 87 CO 0.01 -0.36 0.25 0.45 -0.36 0.00 0.00 175.35 175.34 2kfy n SER 88 N -0.41 -0.63 0.00 1.43 2.88 -0.77 -4.60 113.62 111.52 2kfy n SER 88 Ca 0.07 -2.67 0.00 0.00 -1.33 0.00 0.00 58.87 54.94 2kfy n SER 88 Cb 0.50 1.41 0.00 0.00 -0.75 0.00 0.00 64.21 65.37 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 -0.49 0.00 0.00 0.66 1.44 -1.26 -3.79 115.22 111.78 2kfy n HIS 89 Ca 0.05 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.76 2kfy n HIS 89 Cb 0.47 0.04 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 -4.35 116.66 110.16 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 0.49 -0.89 0.02 0.00 0.45 0.00 0.00 32.46 32.53 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 -0.46 5.15 2.02 -1.99 -1.52 112.91 117.38 2kfy h THR 91 Ca 0.00 -1.46 -0.12 0.00 0.77 0.00 0.00 66.41 65.60 2kfy h THR 91 Cb 0.00 1.27 -0.01 0.00 -1.74 0.00 0.00 68.15 67.67 2kfy h THR 91 CO 0.00 0.49 -0.20 -0.08 0.37 0.00 0.00 175.52 176.10 2kfy h GLU 92 N 0.75 0.93 -0.33 6.66 4.81 -1.98 -1.94 114.58 123.48 2kfy h GLU 92 Ca 0.08 -0.38 0.03 0.00 -0.13 0.00 0.00 59.36 58.97 2kfy h GLU 92 Cb 0.87 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 30.17 2kfy h GLU 92 CO 0.08 1.04 0.13 1.98 -0.73 0.00 0.00 179.01 181.50 2kfy h MET 93 N 0.81 0.27 -0.02 1.92 4.05 -1.87 -1.70 114.93 118.39 2kfy h MET 93 Ca 0.11 -0.02 -0.09 0.00 -0.28 0.00 0.00 59.70 59.43 2kfy h MET 93 Cb 0.75 -0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 31.48 2kfy h MET 93 CO 0.06 0.18 -0.40 0.22 0.23 0.00 0.00 176.91 177.20 2kfy h ASP 94 N 0.28 0.04 0.99 1.39 3.58 -1.23 -1.22 116.42 120.26 2kfy h ASP 94 Ca 0.15 -0.02 -0.00 0.00 0.42 0.00 0.00 57.03 57.58 2kfy h ASP 94 Cb 0.10 -0.01 -0.00 0.00 1.72 0.00 0.00 39.33 41.14 2kfy h ASP 94 CO -0.14 0.44 -0.00 -0.25 -2.88 0.00 0.00 179.24 176.41 2kfy h TRP 95 N 0.04 0.00 0.00 0.28 7.01 -0.50 -3.27 115.95 119.51 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 0.00 -0.84 1.55 -2.79 0.00 0.00 178.44 176.36 2kfy n VAL 96 N -3.09 0.00 0.60 2.65 3.14 -1.02 -4.13 118.33 116.47 2kfy n VAL 96 Ca 0.00 -0.06 0.06 0.00 -2.96 0.00 0.00 64.34 61.39 2kfy n VAL 96 Cb 0.30 0.54 0.31 0.00 -1.06 0.00 0.00 33.84 33.93 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 -1.38 0.00 -0.08 6.55 7.99 -0.47 -1.90 117.00 127.71 2kfy n LEU 97 Ca 0.00 0.26 0.01 0.00 -0.01 0.00 0.00 56.01 56.27 2kfy n LEU 97 Cb 0.00 -0.26 0.01 0.00 -0.11 0.00 0.00 43.42 43.06 2kfy n LEU 97 CO 0.00 -0.16 0.34 0.29 -1.51 0.00 0.00 177.39 176.35 2kfy n LYS 98 N -1.26 0.86 -0.58 3.23 5.02 -1.24 -4.77 118.16 119.42 2kfy n LYS 98 Ca 0.06 -1.00 -0.00 0.00 -2.02 0.00 0.00 58.31 55.35 2kfy n LYS 98 Cb 0.09 -0.71 -0.00 0.00 -0.02 0.00 0.00 35.03 34.40 2kfy n LYS 98 CO 0.00 0.00 0.00 1.58 -0.52 0.00 0.00 177.40 178.46 2kfy n HIS 99 N -0.24 0.00 0.17 2.13 -0.00 -1.08 -4.91 115.22 111.28 2kfy n HIS 99 Ca 0.01 -0.05 0.02 0.00 0.46 0.00 0.00 57.72 58.16 2kfy n HIS 99 Cb 0.48 0.09 0.10 0.00 -0.12 0.00 0.00 29.99 30.54 2kfy n HIS 99 CO 0.00 0.00 0.00 -1.13 0.46 0.00 0.00 176.34 175.67 2kfy n SER 100 N 0.03 0.00 -3.73 0.26 3.41 -0.80 -4.80 113.62 107.99 2kfy n SER 100 Ca -0.01 0.43 0.02 0.00 -0.26 0.00 0.00 58.87 59.05 2kfy n SER 100 Cb 0.65 -0.44 0.01 0.00 -0.26 0.00 0.00 64.21 64.16 2kfy n SER 100 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2kfy s GLY 101 N -2.89 -0.15 0.00 5.00 0.00 -1.26 -4.87 107.32 103.15 2kfy s GLY 101 Ca 0.03 0.12 0.16 0.00 0.00 0.00 0.00 44.72 45.02 2kfy s GLY 101 CO 0.08 4.21 1.36 -1.55 0.00 0.00 0.00 173.10 177.19