#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 0.00 -0.40 0.03 0.00 -1.26 -4.85 117.12 110.64 2kfy n MET 2 Ca 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 57.70 57.10 2kfy n MET 2 Cb 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 33.22 32.84 2kfy n MET 2 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 175.97 177.44 2kfy n LEU 3 N 0.00 0.00 0.00 3.17 -0.00 -1.26 -5.12 117.00 113.80 2kfy n LEU 3 Ca 0.00 -0.82 -0.07 0.00 -0.00 0.00 0.00 56.01 55.12 2kfy n LEU 3 Cb 0.59 0.00 0.02 0.00 -0.00 0.00 0.00 43.42 44.03 2kfy n LEU 3 CO 0.00 0.33 0.46 0.61 -0.00 0.00 0.00 177.39 178.79 2kfy n GLY 4 N 0.00 1.13 3.72 1.47 0.00 -1.26 -5.18 105.19 105.07 2kfy n GLY 4 Ca 0.00 -1.22 -0.30 0.00 0.00 0.00 0.00 46.02 44.51 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 -2.07 1.23 0.31 1.61 0.04 -1.26 -4.95 135.00 129.90 2kfy s PRO 5 Ca 0.14 0.79 -0.03 0.00 0.04 0.00 0.00 61.00 61.93 2kfy s PRO 5 Cb -0.04 -1.81 -0.01 0.00 0.04 0.00 0.00 34.50 32.69 2kfy s PRO 5 CO 0.10 -2.25 0.43 -1.21 0.04 0.00 0.00 177.00 174.10 2kfy s GLU 6 N -4.95 1.77 0.00 4.56 0.41 -1.26 -4.88 118.70 114.35 2kfy s GLU 6 Ca 0.63 -1.68 0.00 0.00 -0.41 0.00 0.00 54.97 53.52 2kfy s GLU 6 Cb -0.18 0.42 0.00 0.00 -1.78 0.00 0.00 34.13 32.59 2kfy s GLU 6 CO 0.57 -0.71 0.21 0.41 -0.49 0.00 0.00 175.26 175.25 2kfy n GLY 7 N -0.51 0.66 3.91 -1.39 0.00 -1.26 -5.15 105.19 101.46 2kfy n GLY 7 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 2kfy n GLY 7 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2kfy s GLY 8 N -0.04 -0.06 0.00 -0.02 0.00 -1.26 -4.30 107.32 101.64 2kfy s GLY 8 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 44.72 44.67 2kfy s GLY 8 CO 0.00 3.90 0.67 1.18 0.00 0.00 0.00 173.10 178.84 2kfy n GLU 9 N -0.79 0.00 -3.95 2.90 1.02 -1.15 -4.98 120.64 113.69 2kfy n GLU 9 Ca 0.00 -0.59 -0.09 0.00 -0.02 0.00 0.00 57.16 56.46 2kfy n GLU 9 Cb 0.59 -0.37 -0.05 0.00 -0.02 0.00 0.00 31.44 31.59 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 -0.44 0.44 -0.32 0.62 0.00 -1.18 -4.92 107.32 101.52 2kfy s GLY 10 Ca 0.00 -0.78 -0.04 0.00 0.00 0.00 0.00 44.72 43.90 2kfy s GLY 10 CO 0.00 -0.61 2.84 0.69 0.00 0.00 0.00 173.10 176.01 2kfy n PHE 11 N -0.34 1.19 -4.15 1.90 3.72 -1.26 -4.66 117.46 113.85 2kfy n PHE 11 Ca -0.04 -1.82 -0.17 0.00 -0.05 0.00 0.00 57.45 55.37 2kfy n PHE 11 Cb 0.62 -1.34 -0.12 0.00 -0.94 0.00 0.00 39.48 37.70 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 -1.47 0.99 0.07 -4.37 1.01 -1.26 -1.44 120.40 113.92 2kfy s VAL 12 Ca 0.55 -1.29 0.01 0.00 0.00 0.00 0.00 61.98 61.24 2kfy s VAL 12 Cb 0.34 -1.01 -0.04 0.00 0.00 0.00 0.00 36.38 35.67 2kfy s VAL 12 CO -0.14 -0.29 -0.05 0.68 0.00 0.00 0.00 175.10 175.31 2kfy s VAL 13 N -1.40 0.44 0.46 2.92 -7.23 -0.85 -1.61 120.40 113.13 2kfy s VAL 13 Ca -0.03 -1.69 -0.03 0.00 -1.81 0.00 0.00 61.98 58.42 2kfy s VAL 13 Cb -0.09 -1.35 -0.03 0.00 0.56 0.00 0.00 36.38 35.47 2kfy s VAL 13 CO 0.02 -0.83 0.74 -0.54 -0.31 0.00 0.00 175.10 174.18 2kfy s LYS 14 N -3.37 3.39 0.01 4.82 1.02 0.80 -0.82 119.74 125.60 2kfy s LYS 14 Ca 0.05 -0.02 -0.01 0.00 0.02 0.00 0.00 55.97 56.00 2kfy s LYS 14 Cb 0.03 -2.44 -0.01 0.00 -0.52 0.00 0.00 37.83 34.89 2kfy s LYS 14 CO -0.06 -0.20 0.01 -1.17 -0.92 0.00 0.00 175.35 173.01 2kfy s LEU 15 N -4.66 2.04 -0.07 3.17 1.98 0.10 -2.88 118.68 118.35 2kfy s LEU 15 Ca 0.47 -0.30 -0.21 0.00 -2.89 0.00 0.00 54.13 51.20 2kfy s LEU 15 Cb -0.10 0.19 0.05 0.00 0.66 0.00 0.00 46.19 46.98 2kfy s LEU 15 CO 0.42 -0.23 0.48 -0.60 -1.89 0.00 0.00 176.35 174.53 2kfy s ARG 16 N -1.05 0.77 0.00 1.98 3.52 -0.87 -0.57 118.95 122.73 2kfy s ARG 16 Ca -0.12 0.20 0.00 0.00 -0.13 0.00 0.00 55.73 55.68 2kfy s ARG 16 Cb -0.07 0.36 0.00 0.00 -1.56 0.00 0.00 34.95 33.68 2kfy s ARG 16 CO -0.00 -0.20 0.00 0.41 -0.81 0.00 0.00 175.30 174.70 2kfy n GLY 17 N 1.58 0.65 0.99 8.12 0.00 -1.22 -0.44 105.19 114.87 2kfy n GLY 17 Ca -0.19 -2.14 0.13 0.00 0.00 0.00 0.00 46.02 43.82 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 -0.55 -4.08 0.99 4.77 -1.14 -4.89 117.00 112.10 2kfy n LEU 18 Ca 0.00 1.24 -0.21 0.00 -0.03 0.00 0.00 56.01 57.01 2kfy n LEU 18 Cb 0.00 -3.10 0.17 0.00 -2.33 0.00 0.00 43.42 38.16 2kfy n LEU 18 CO 0.00 -2.32 0.01 -2.65 -1.33 0.00 0.00 177.39 171.10 2kfy n PRO 19 N -3.51 -2.59 0.28 3.23 -0.02 -1.26 -4.78 135.00 126.34 2kfy n PRO 19 Ca -0.01 -0.76 0.13 0.00 -2.02 0.00 0.00 63.50 60.84 2kfy n PRO 19 Cb 0.46 -1.57 0.71 0.00 -0.02 0.00 0.00 33.50 33.08 2kfy n PRO 19 CO 0.00 0.00 0.00 -1.49 1.98 0.00 0.00 175.50 175.99 2kfy h TRP 20 N -2.76 0.00 -3.77 6.00 -0.00 -1.98 -3.42 115.95 110.02 2kfy h TRP 20 Ca -0.30 0.00 -0.08 0.00 -0.00 0.00 0.00 58.89 58.51 2kfy h TRP 20 Cb 0.92 0.00 -0.14 0.00 -0.00 0.00 0.00 29.16 29.94 2kfy h TRP 20 CO -2.74 0.00 -0.34 -1.12 -0.00 0.00 0.00 178.44 174.24 2kfy s SER 21 N -4.19 0.08 0.16 -3.49 0.01 -1.26 -3.79 113.70 101.23 2kfy s SER 21 Ca -0.03 -0.63 -0.04 0.00 1.31 0.00 0.00 55.95 56.56 2kfy s SER 21 Cb 0.08 0.35 0.02 0.00 0.21 0.00 0.00 66.02 66.68 2kfy s SER 21 CO 0.24 -0.75 0.29 0.00 0.41 0.00 0.00 173.24 173.43 2kfy s SER 23 N -1.92 0.99 0.43 0.00 0.01 -1.26 -5.04 113.70 106.90 2kfy s SER 23 Ca 0.09 -1.17 0.30 0.00 1.31 0.00 0.00 55.95 56.48 2kfy s SER 23 Cb -0.01 0.16 1.43 0.00 0.21 0.00 0.00 66.02 67.81 2kfy s SER 23 CO 0.07 -0.60 1.90 -0.37 0.41 0.00 0.00 173.24 174.65 2kfy h VAL 24 N 2.76 0.00 0.00 3.43 -1.51 -2.00 -1.91 116.25 117.02 2kfy h VAL 24 Ca -0.36 -0.19 -0.13 0.00 -1.23 0.00 0.00 66.70 64.79 2kfy h VAL 24 Cb 1.20 0.97 -0.02 0.00 -2.13 0.00 0.00 31.29 31.32 2kfy h VAL 24 CO 0.62 0.00 -0.71 -0.33 -1.23 0.00 0.00 177.57 175.92 2kfy h GLU 25 N 0.00 0.00 0.21 5.19 5.08 -1.99 -2.95 114.58 120.12 2kfy h GLU 25 Ca 0.00 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.04 2kfy h GLU 25 Cb 0.23 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.51 2kfy h GLU 25 CO 0.00 0.52 -1.39 -0.44 -1.00 0.00 0.00 179.01 176.69 2kfy h ASP 26 N 0.00 0.80 -0.38 1.42 3.32 -1.77 -2.83 116.42 116.99 2kfy h ASP 26 Ca -0.03 -0.82 -0.14 0.00 0.02 0.00 0.00 57.03 56.05 2kfy h ASP 26 Cb 1.46 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 40.74 2kfy h ASP 26 CO 0.07 1.64 -0.32 1.62 -1.72 0.00 0.00 179.24 180.53 2kfy h VAL 27 N 0.17 1.27 0.00 -1.35 3.04 -1.62 -2.49 116.25 115.27 2kfy h VAL 27 Ca -0.22 -1.48 -0.07 0.00 -1.01 0.00 0.00 66.70 63.91 2kfy h VAL 27 Cb 2.08 1.29 -0.01 0.00 -2.01 0.00 0.00 31.29 32.64 2kfy h VAL 27 CO 0.26 0.50 -0.34 0.06 -1.01 0.00 0.00 177.57 177.04 2kfy h GLN 28 N 0.77 0.00 0.00 4.17 3.07 -1.62 -2.35 115.11 119.15 2kfy h GLN 28 Ca 0.08 0.00 -0.07 0.00 0.09 0.00 0.00 58.65 58.75 2kfy h GLN 28 Cb 0.89 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.44 2kfy h GLN 28 CO 0.08 0.34 -0.32 -0.97 0.09 0.00 0.00 178.83 178.05 2kfy h ASN 29 N 0.00 0.00 0.99 0.06 -1.24 -1.24 -3.20 115.58 110.95 2kfy h ASN 29 Ca -0.00 0.00 -0.19 0.00 0.71 0.00 0.00 56.30 56.82 2kfy h ASN 29 Cb 0.82 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.84 2kfy h ASN 29 CO 0.04 0.32 -1.06 0.15 -1.29 0.00 0.00 177.43 175.59 2kfy h PHE 30 N 0.00 0.00 -2.04 0.67 3.57 -0.98 -3.28 116.94 114.88 2kfy h PHE 30 Ca -0.00 0.00 -0.77 0.00 3.53 0.00 0.00 57.97 60.72 2kfy h PHE 30 Cb 0.75 0.00 -0.28 0.00 2.79 0.00 0.00 35.95 39.21 2kfy h PHE 30 CO 0.00 0.79 1.00 1.28 -2.23 0.00 0.00 178.31 179.15 2kfy n LEU 31 N -3.18 7.41 0.00 0.59 7.99 -1.08 -4.83 117.00 123.90 2kfy n LEU 31 Ca -0.04 -4.97 0.00 0.00 -0.01 0.00 0.00 56.01 50.99 2kfy n LEU 31 Cb 0.89 -1.07 0.01 0.00 -0.11 0.00 0.00 43.42 43.14 2kfy n LEU 31 CO 0.44 1.84 0.10 -1.54 -1.51 0.00 0.00 177.39 176.71 2kfy n SER 32 N -0.43 0.00 0.00 -1.43 3.41 -1.24 -0.97 113.62 112.95 2kfy n SER 32 Ca 0.52 -0.23 0.00 0.00 -0.26 0.00 0.00 58.87 58.90 2kfy n SER 32 Cb 0.25 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.20 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 -0.56 1.15 -3.54 4.04 8.00 -1.26 -5.09 116.55 119.29 2kfy n ASP 33 Ca 0.00 -1.39 -0.21 0.00 0.71 0.00 0.00 54.79 53.91 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 -2.53 0.96 -0.69 0.00 2.01 -1.26 -5.04 115.64 109.09 2kfy s THR 35 Ca 0.09 -0.69 -0.02 0.00 0.31 0.00 0.00 61.69 61.38 2kfy s THR 35 Cb 0.00 -0.84 0.40 0.00 0.01 0.00 0.00 72.50 72.07 2kfy s THR 35 CO 0.06 0.14 2.06 -0.38 -0.69 0.00 0.00 174.62 175.81 2kfy n ILE 36 N 2.43 3.57 0.00 1.82 -0.00 -1.26 -3.72 119.36 122.19 2kfy n ILE 36 Ca -0.16 -3.24 0.00 0.00 -0.00 0.00 0.00 62.75 59.35 2kfy n ILE 36 Cb 0.55 -1.21 0.00 0.00 -0.00 0.00 0.00 39.64 38.99 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 -0.68 0.00 -1.20 1.39 -0.00 -1.17 -1.77 115.22 111.80 2kfy n HIS 37 Ca 0.58 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 58.30 2kfy n HIS 37 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.52 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 0.35 0.00 0.00 0.26 8.00 -1.26 -4.85 116.55 119.04 2kfy n ASP 38 Ca 0.00 -0.77 0.00 0.00 0.71 0.00 0.00 54.79 54.73 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 0.96 0.00 0.44 0.00 -0.73 -4.18 105.19 101.69 2kfy n GLY 39 Ca 0.00 -1.26 0.01 0.00 0.00 0.00 0.00 46.02 44.77 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 2.66 1.69 -0.72 4.61 0.00 -1.26 -1.49 120.51 125.99 2kfy n ALA 40 Ca 0.00 -0.01 0.07 0.00 0.00 0.00 0.00 53.44 53.49 2kfy n ALA 40 Cb 0.00 -1.04 0.11 0.00 0.00 0.00 0.00 19.45 18.52 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 -0.70 2.23 -1.03 0.00 0.00 -1.26 -4.56 120.51 115.19 2kfy n ALA 41 Ca 0.02 -2.08 0.00 0.00 0.00 0.00 0.00 53.44 51.38 2kfy n ALA 41 Cb 0.01 -0.29 0.00 0.00 0.00 0.00 0.00 19.45 19.16 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 -1.04 -0.20 3.81 0.00 0.00 -0.56 -4.63 105.19 102.57 2kfy n GLY 42 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 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 3.83 0.10 1.61 0.11 -1.20 -2.61 120.40 122.25 2kfy s VAL 43 Ca 0.00 0.59 -0.14 0.00 -2.93 0.00 0.00 61.98 59.50 2kfy s VAL 43 Cb 0.00 -3.27 0.02 0.00 -1.53 0.00 0.00 36.38 31.61 2kfy s VAL 43 CO 0.00 -0.78 0.34 -1.00 -3.33 0.00 0.00 175.10 170.34 2kfy s HIS 44 N -3.01 -0.11 0.24 1.54 3.76 -1.06 -4.94 115.29 111.70 2kfy s HIS 44 Ca 0.59 -0.20 -0.10 0.00 -0.15 0.00 0.00 55.06 55.20 2kfy s HIS 44 Cb -0.15 0.17 -0.01 0.00 1.11 0.00 0.00 32.58 33.70 2kfy s HIS 44 CO 0.55 -0.64 0.40 -0.06 -0.85 0.00 0.00 174.74 174.15 2kfy s PHE 45 N -3.64 0.53 -0.01 1.40 0.08 -1.26 -3.00 117.98 112.09 2kfy s PHE 45 Ca 0.02 -0.87 0.02 0.00 0.12 0.00 0.00 56.93 56.23 2kfy s PHE 45 Cb 0.02 0.03 -0.00 0.00 -0.57 0.00 0.00 43.02 42.50 2kfy s PHE 45 CO -0.10 -0.92 -0.06 0.42 -0.10 0.00 0.00 175.22 174.46 2kfy s ILE 46 N -4.05 0.50 0.36 0.64 1.01 -1.01 -4.86 121.20 113.79 2kfy s ILE 46 Ca 0.26 -0.24 -0.11 0.00 0.00 0.00 0.00 60.65 60.56 2kfy s ILE 46 Cb 0.01 -0.44 0.04 0.00 0.01 0.00 0.00 42.46 42.09 2kfy s ILE 46 CO 0.10 0.15 0.67 0.00 0.00 0.00 0.00 174.94 175.86 2kfy n TYR 47 N 3.10 -2.07 -4.17 3.97 0.18 -1.26 -0.75 117.16 116.16 2kfy n TYR 47 Ca -0.15 -1.82 -0.10 0.00 1.88 0.00 0.00 57.90 57.70 2kfy n TYR 47 Cb 0.57 0.78 -0.10 0.00 -0.38 0.00 0.00 39.34 40.21 2kfy n TYR 47 CO 0.00 0.00 0.00 0.95 -2.08 0.00 0.00 176.86 175.73 2kfy s THR 48 N -2.31 0.21 0.47 -3.48 -4.23 -1.00 -4.27 115.64 101.02 2kfy s THR 48 Ca 0.17 -1.92 0.38 0.00 -1.18 0.00 0.00 61.69 59.14 2kfy s THR 48 Cb -0.04 -2.07 0.41 0.00 1.34 0.00 0.00 72.50 72.14 2kfy s THR 48 CO 0.13 -0.46 2.22 0.08 -0.54 0.00 0.00 174.62 176.05 2kfy h ARG 49 N 2.83 0.00 -0.58 3.99 -0.00 -1.94 -2.55 114.38 116.13 2kfy h ARG 49 Ca -0.35 0.00 0.12 0.00 -0.00 0.00 0.00 59.98 59.74 2kfy h ARG 49 Cb 1.20 0.00 -0.03 0.00 -0.00 0.00 0.00 29.97 31.14 2kfy h ARG 49 CO 0.60 0.02 0.39 1.49 -0.00 0.00 0.00 179.97 182.47 2kfy h GLU 50 N 0.00 0.27 0.00 0.08 4.81 -2.02 -3.46 114.58 114.26 2kfy h GLU 50 Ca -0.00 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 2kfy h GLU 50 Cb 0.19 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.51 2kfy h GLU 50 CO 0.00 0.18 0.00 0.41 -0.73 0.00 0.00 179.01 178.87 2kfy n GLY 51 N -1.55 1.92 3.49 1.92 0.00 -0.96 -5.15 105.19 104.86 2kfy n GLY 51 Ca 0.10 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.02 2kfy n GLY 51 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2kfy s ARG 52 N -0.05 1.34 0.58 1.61 1.70 -1.25 -5.05 118.95 117.82 2kfy s ARG 52 Ca 0.00 -0.80 -0.17 0.00 -0.47 0.00 0.00 55.73 54.29 2kfy s ARG 52 Cb 0.00 0.52 -0.04 0.00 -0.57 0.00 0.00 34.95 34.86 2kfy s ARG 52 CO 0.00 -0.57 1.06 -0.65 -1.08 0.00 0.00 175.30 174.07 2kfy s GLN 53 N -3.85 3.37 0.52 3.89 -1.52 -1.25 -2.38 119.66 118.45 2kfy s GLN 53 Ca 0.07 1.27 0.32 0.00 -1.95 0.00 0.00 55.36 55.07 2kfy s GLN 53 Cb -0.01 -2.04 1.25 0.00 -0.22 0.00 0.00 33.01 31.99 2kfy s GLN 53 CO -0.05 -0.77 1.93 0.77 -0.25 0.00 0.00 175.29 176.92 2kfy h SER 54 N 0.65 0.00 0.00 5.90 0.02 -1.23 -3.46 113.55 115.43 2kfy h SER 54 Ca -0.47 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.48 2kfy h SER 54 Cb 1.22 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.76 2kfy h SER 54 CO 0.57 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.87 2kfy n GLY 55 N 0.14 0.94 3.22 -3.77 0.00 -1.26 -5.05 105.19 99.41 2kfy n GLY 55 Ca 0.01 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.92 2kfy n GLY 55 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kfy s GLU 56 N -0.21 1.17 0.22 1.61 2.02 -1.26 -3.42 118.70 118.82 2kfy s GLU 56 Ca 0.00 -1.56 -0.11 0.00 0.02 0.00 0.00 54.97 53.32 2kfy s GLU 56 Cb 0.00 0.28 0.04 0.00 0.10 0.00 0.00 34.13 34.55 2kfy s GLU 56 CO 0.00 -0.38 0.58 0.00 0.02 0.00 0.00 175.26 175.48 2kfy n ALA 57 N -0.24 -1.39 -2.17 5.21 0.00 0.26 -2.40 120.51 119.78 2kfy n ALA 57 Ca 0.00 -0.81 -0.11 0.00 0.00 0.00 0.00 53.44 52.53 2kfy n ALA 57 Cb 0.65 0.59 -0.10 0.00 0.00 0.00 0.00 19.45 20.59 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 -4.08 0.96 -0.19 0.00 0.08 -1.16 -0.72 117.98 112.87 2kfy s PHE 58 Ca 0.12 -1.23 -0.04 0.00 0.12 0.00 0.00 56.93 55.90 2kfy s PHE 58 Cb -0.03 -0.53 0.08 0.00 -0.57 0.00 0.00 43.02 41.97 2kfy s PHE 58 CO 0.07 -0.49 0.18 0.08 -0.10 0.00 0.00 175.22 174.96 2kfy s VAL 59 N -4.01 -0.26 0.56 -0.44 1.01 0.00 -2.57 120.40 114.69 2kfy s VAL 59 Ca 0.26 -0.09 -0.18 0.00 0.00 0.00 0.00 61.98 61.97 2kfy s VAL 59 Cb 0.07 -0.62 -0.05 0.00 0.00 0.00 0.00 36.38 35.78 2kfy s VAL 59 CO 0.04 -0.20 1.09 -1.61 0.00 0.00 0.00 175.10 174.41 2kfy s GLU 60 N 2.28 3.37 0.28 2.72 2.02 -1.07 -2.00 118.70 126.30 2kfy s GLU 60 Ca 0.05 1.42 0.03 0.00 0.02 0.00 0.00 54.97 56.49 2kfy s GLU 60 Cb -0.16 -2.03 -0.01 0.00 0.10 0.00 0.00 34.13 32.04 2kfy s GLU 60 CO -0.11 -0.80 0.11 1.28 0.02 0.00 0.00 175.26 175.77 2kfy n LEU 61 N -1.56 0.00 -0.08 1.80 4.77 -0.52 -3.03 117.00 118.37 2kfy n LEU 61 Ca 0.10 -2.22 -0.12 0.00 -0.03 0.00 0.00 56.01 53.74 2kfy n LEU 61 Cb 0.52 0.77 -0.15 0.00 -2.33 0.00 0.00 43.42 42.23 2kfy n LEU 61 CO 0.43 -0.34 -1.06 0.61 -1.33 0.00 0.00 177.39 175.70 2kfy n GLY 62 N 0.06 -0.82 3.59 -0.72 0.00 -1.24 -4.20 105.19 101.86 2kfy n GLY 62 Ca -0.03 -0.24 -0.10 0.00 0.00 0.00 0.00 46.02 45.65 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 -5.96 0.01 0.54 1.61 0.01 -1.26 -5.03 113.70 103.62 2kfy s SER 63 Ca -0.16 -0.99 0.19 0.00 1.31 0.00 0.00 55.95 56.30 2kfy s SER 63 Cb 0.07 0.61 1.40 0.00 0.21 0.00 0.00 66.02 68.30 2kfy s SER 63 CO 0.77 -1.18 2.17 -0.08 0.41 0.00 0.00 173.24 175.33 2kfy h GLU 64 N 2.23 0.00 0.00 12.44 4.81 -1.95 -1.69 114.58 130.42 2kfy h GLU 64 Ca -0.26 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 58.88 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 0.36 0.00 -0.42 0.22 -0.73 0.00 0.00 179.01 178.44 2kfy h ASP 65 N 0.00 0.00 0.29 1.04 3.58 -2.00 -2.31 116.42 117.02 2kfy h ASP 65 Ca -0.00 0.00 -0.25 0.00 0.42 0.00 0.00 57.03 57.20 2kfy h ASP 65 Cb 0.01 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.07 2kfy h ASP 65 CO 0.00 0.42 -1.06 0.44 -2.88 0.00 0.00 179.24 176.16 2kfy h ASP 66 N 0.00 0.64 -0.37 2.28 3.32 -1.68 -2.45 116.42 118.16 2kfy h ASP 66 Ca -0.00 -0.55 -0.15 0.00 0.02 0.00 0.00 57.03 56.34 2kfy h ASP 66 Cb 0.81 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.16 2kfy h ASP 66 CO 0.05 1.37 -0.34 1.62 -1.72 0.00 0.00 179.24 180.23 2kfy h VAL 67 N 0.24 1.27 -0.35 -1.35 3.04 -1.38 -0.72 116.25 117.00 2kfy h VAL 67 Ca -0.12 -1.51 -0.01 0.00 -1.01 0.00 0.00 66.70 64.06 2kfy h VAL 67 Cb 1.72 1.32 -0.02 0.00 -2.01 0.00 0.00 31.29 32.30 2kfy h VAL 67 CO 0.19 0.51 0.20 0.11 -1.01 0.00 0.00 177.57 177.56 2kfy h LYS 68 N 0.76 0.49 0.00 4.17 1.57 -1.46 -2.71 116.57 119.39 2kfy h LYS 68 Ca 0.07 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.75 2kfy h LYS 68 Cb 0.92 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.12 2kfy h LYS 68 CO 0.08 0.40 -0.24 0.52 -0.57 0.00 0.00 179.45 179.65 2kfy h MET 69 N 0.45 0.00 -0.01 3.15 2.86 -1.27 -2.44 114.93 117.68 2kfy h MET 69 Ca 0.13 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.63 2kfy h MET 69 Cb 0.05 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.69 2kfy h MET 69 CO -0.02 0.24 -0.61 0.00 1.06 0.00 0.00 176.91 177.58 2kfy h ALA 70 N 1.76 0.98 0.00 6.32 0.00 -0.87 -3.06 119.26 124.39 2kfy h ALA 70 Ca -0.00 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.35 2kfy h ALA 70 Cb 0.60 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2kfy h ALA 70 CO 0.03 0.76 0.00 -0.07 0.00 0.00 0.00 179.25 179.97 2kfy h LEU 71 N 0.02 0.00 0.00 0.00 3.38 -1.14 -3.23 115.31 114.34 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 1.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.84 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 -2.51 0.13 -1.13 1.13 4.76 -1.12 -2.59 118.16 116.82 2kfy n LYS 72 Ca 0.05 0.21 0.04 0.00 -2.87 0.00 0.00 58.31 55.74 2kfy n LYS 72 Cb 0.44 -1.50 0.06 0.00 -1.84 0.00 0.00 35.03 32.20 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 -1.34 0.38 0.14 1.97 0.00 -1.22 -4.94 118.16 113.14 2kfy n LYS 73 Ca 0.05 -2.16 0.02 0.00 -0.00 0.00 0.00 58.31 56.22 2kfy n LYS 73 Cb 0.11 -0.46 0.12 0.00 -0.00 0.00 0.00 35.03 34.80 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 0.11 -0.66 -5.58 5.75 -1.07 -1.58 116.55 113.55 2kfy n ASP 74 Ca 0.08 0.33 -0.00 0.00 -0.01 0.00 0.00 54.79 55.19 2kfy n ASP 74 Cb 0.98 -0.19 -0.00 0.00 -1.03 0.00 0.00 41.12 40.88 2kfy n ASP 74 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2kfy n ARG 75 N -1.74 0.00 0.00 0.11 1.74 -1.26 -0.98 116.66 114.54 2kfy n ARG 75 Ca -0.00 -0.80 0.00 0.00 -0.77 0.00 0.00 57.85 56.28 2kfy n ARG 75 Cb 0.54 -0.20 0.00 0.00 -1.02 0.00 0.00 32.46 31.78 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 0.06 -0.19 -3.86 5.56 -0.58 -0.62 -4.55 120.64 116.47 2kfy n GLU 76 Ca -0.01 0.00 -0.11 0.00 -0.42 0.00 0.00 57.16 56.62 2kfy n GLU 76 Cb 0.69 0.00 -0.09 0.00 -0.57 0.00 0.00 31.44 31.47 2kfy n GLU 76 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 2kfy s SER 77 N -1.44 0.04 0.34 1.62 1.04 -1.26 -0.34 113.70 113.70 2kfy s SER 77 Ca 0.00 -0.33 0.18 0.00 0.48 0.00 0.00 55.95 56.29 2kfy s SER 77 Cb 0.00 0.26 0.35 0.00 0.10 0.00 0.00 66.02 66.73 2kfy s SER 77 CO 0.00 -0.50 1.58 0.24 0.98 0.00 0.00 173.24 175.53 2kfy h MET 78 N 3.69 0.00 0.00 4.02 2.86 -1.78 -3.48 114.93 120.24 2kfy h MET 78 Ca -0.32 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.32 2kfy h MET 78 Cb 1.19 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.85 2kfy h MET 78 CO 0.46 0.37 0.00 0.41 1.06 0.00 0.00 176.91 179.22 2kfy n GLY 79 N 0.88 1.04 0.00 8.32 0.00 -1.26 -4.93 105.19 109.24 2kfy n GLY 79 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -3.70 1.61 8.25 -1.26 -5.10 115.22 115.02 2kfy n HIS 80 Ca 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.36 2kfy n HIS 80 Cb 0.00 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.07 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 -0.02 1.31 0.32 -0.41 6.06 -1.26 -5.15 118.95 119.81 2kfy s ARG 81 Ca 0.00 -0.81 0.09 0.00 -2.50 0.00 0.00 55.73 52.51 2kfy s ARG 81 Cb 0.00 0.51 -0.05 0.00 0.06 0.00 0.00 34.95 35.48 2kfy s ARG 81 CO 0.00 -0.55 0.03 1.52 -2.50 0.00 0.00 175.30 173.80 2kfy s TYR 82 N -3.85 2.60 0.19 5.12 1.13 -1.26 -2.10 117.35 119.17 2kfy s TYR 82 Ca 0.08 -0.38 0.01 0.00 -1.41 0.00 0.00 57.07 55.36 2kfy s TYR 82 Cb -0.00 -1.45 -0.05 0.00 -1.10 0.00 0.00 41.96 39.36 2kfy s TYR 82 CO -0.05 0.48 0.05 0.42 -2.51 0.00 0.00 175.55 173.93 2kfy s ILE 83 N -2.46 0.48 -0.00 -3.49 1.09 0.54 -2.89 121.20 114.47 2kfy s ILE 83 Ca 0.35 -1.97 -0.04 0.00 -1.10 0.00 0.00 60.65 57.88 2kfy s ILE 83 Cb -0.02 -2.26 -0.00 0.00 -1.06 0.00 0.00 42.46 39.12 2kfy s ILE 83 CO 0.20 -0.32 0.08 -1.61 -0.10 0.00 0.00 174.94 173.19 2kfy s GLU 84 N -3.99 0.35 0.03 2.79 2.02 0.42 -3.49 118.70 116.83 2kfy s GLU 84 Ca 0.28 -0.33 -0.05 0.00 0.02 0.00 0.00 54.97 54.90 2kfy s GLU 84 Cb 0.07 0.14 -0.01 0.00 0.10 0.00 0.00 34.13 34.43 2kfy s GLU 84 CO 0.06 -0.07 0.08 0.08 0.02 0.00 0.00 175.26 175.43 2kfy s VAL 85 N -1.06 0.12 0.07 2.63 1.01 -0.15 -2.06 120.40 120.96 2kfy s VAL 85 Ca -0.12 -1.01 -0.22 0.00 0.00 0.00 0.00 61.98 60.63 2kfy s VAL 85 Cb -0.07 -0.73 0.05 0.00 0.00 0.00 0.00 36.38 35.63 2kfy s VAL 85 CO 0.00 -0.56 0.53 0.12 0.00 0.00 0.00 175.10 175.20 2kfy s PHE 86 N -2.24 -0.44 0.55 5.22 2.19 -1.14 -4.68 117.98 117.44 2kfy s PHE 86 Ca -0.08 0.43 -0.17 0.00 0.33 0.00 0.00 56.93 57.43 2kfy s PHE 86 Cb -0.03 0.38 -0.06 0.00 -1.31 0.00 0.00 43.02 42.00 2kfy s PHE 86 CO -0.03 -0.69 1.04 0.21 1.83 0.00 0.00 175.22 177.59 2kfy s LYS 87 N -2.75 3.55 0.20 10.12 2.20 -1.26 -0.14 119.74 131.66 2kfy s LYS 87 Ca -0.04 1.23 0.03 0.00 -0.36 0.00 0.00 55.97 56.84 2kfy s LYS 87 Cb -0.00 -2.06 -0.01 0.00 -1.51 0.00 0.00 37.83 34.24 2kfy s LYS 87 CO -0.04 -0.63 0.20 0.45 -0.36 0.00 0.00 175.35 174.98 2kfy n SER 88 N -1.62 -0.54 0.00 1.43 2.88 -0.63 -4.59 113.62 110.55 2kfy n SER 88 Ca 0.09 -2.23 0.00 0.00 -1.33 0.00 0.00 58.87 55.40 2kfy n SER 88 Cb 0.53 1.14 0.00 0.00 -0.75 0.00 0.00 64.21 65.13 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 -0.36 0.00 0.00 0.66 1.44 -1.26 -2.96 115.22 112.74 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 0.35 0.05 0.00 0.00 0.12 0.00 0.00 29.99 30.51 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 -4.58 116.66 109.94 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 -1.02 0.02 0.00 0.45 0.00 0.00 32.46 32.40 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 -0.34 5.15 2.02 -1.99 -1.65 112.91 117.37 2kfy h THR 91 Ca 0.00 -1.46 -0.13 0.00 0.77 0.00 0.00 66.41 65.59 2kfy h THR 91 Cb 0.00 1.27 -0.01 0.00 -1.74 0.00 0.00 68.15 67.67 2kfy h THR 91 CO 0.00 0.49 -0.33 -0.08 0.37 0.00 0.00 175.52 175.97 2kfy h GLU 92 N 0.75 0.74 -0.39 6.66 4.81 -1.98 -1.92 114.58 123.24 2kfy h GLU 92 Ca 0.08 -0.35 0.03 0.00 -0.13 0.00 0.00 59.36 58.99 2kfy h GLU 92 Cb 0.86 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.20 2kfy h GLU 92 CO 0.08 0.96 0.20 1.98 -0.73 0.00 0.00 179.01 181.50 2kfy h MET 93 N 0.62 0.40 -0.00 1.92 4.05 -1.86 -1.76 114.93 118.31 2kfy h MET 93 Ca 0.07 -0.02 -0.09 0.00 -0.28 0.00 0.00 59.70 59.37 2kfy h MET 93 Cb 0.85 -0.09 -0.01 0.00 -0.80 0.00 0.00 31.60 31.55 2kfy h MET 93 CO 0.07 0.27 -0.45 0.22 0.23 0.00 0.00 176.91 177.25 2kfy h ASP 94 N 0.41 0.00 0.86 1.39 3.58 -1.24 -1.52 116.42 119.91 2kfy h ASP 94 Ca 0.16 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.61 2kfy h ASP 94 Cb 0.06 -0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.11 2kfy h ASP 94 CO -0.11 0.45 0.00 -0.25 -2.88 0.00 0.00 179.24 176.46 2kfy h TRP 95 N 0.00 0.00 0.00 0.28 7.01 -0.49 -3.24 115.95 119.51 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 0.80 0.00 -0.00 0.00 -2.10 0.00 0.00 29.16 27.86 2kfy h TRP 95 CO 0.00 0.00 -1.00 1.55 -2.79 0.00 0.00 178.44 176.20 2kfy n VAL 96 N -2.98 0.00 0.60 2.65 3.14 -1.06 -4.14 118.33 116.53 2kfy n VAL 96 Ca 0.00 -0.00 0.06 0.00 -2.96 0.00 0.00 64.34 61.45 2kfy n VAL 96 Cb 0.27 0.38 0.32 0.00 -1.06 0.00 0.00 33.84 33.75 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 -1.54 0.00 -0.09 6.55 7.99 -0.58 -2.21 117.00 127.11 2kfy n LEU 97 Ca -0.00 0.32 0.00 0.00 -0.01 0.00 0.00 56.01 56.33 2kfy n LEU 97 Cb 0.04 -0.32 0.00 0.00 -0.11 0.00 0.00 43.42 43.03 2kfy n LEU 97 CO 0.00 -0.18 0.29 0.29 -1.51 0.00 0.00 177.39 176.28 2kfy n LYS 98 N -1.32 0.41 0.00 3.23 5.02 -1.23 -4.83 118.16 119.43 2kfy n LYS 98 Ca 0.06 -0.78 0.00 0.00 -2.02 0.00 0.00 58.31 55.56 2kfy n LYS 98 Cb 0.11 -0.59 0.00 0.00 -0.02 0.00 0.00 35.03 34.53 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 -0.11 0.00 -1.41 2.13 -0.00 -1.18 -5.09 115.22 109.56 2kfy n HIS 99 Ca 0.01 0.00 -0.36 0.00 0.46 0.00 0.00 57.72 57.83 2kfy n HIS 99 Cb 0.51 0.06 0.09 0.00 -0.12 0.00 0.00 29.99 30.53 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 0.00 1.15 -3.77 0.26 3.41 -0.94 -4.96 113.62 108.78 2kfy n SER 100 Ca 0.00 0.70 0.04 0.00 -0.26 0.00 0.00 58.87 59.35 2kfy n SER 100 Cb 0.49 -1.48 0.00 0.00 -0.26 0.00 0.00 64.21 62.96 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 -1.68 -0.38 0.00 5.00 0.00 -1.26 -4.96 107.32 104.04 2kfy s GLY 101 Ca 0.77 0.61 0.15 0.00 0.00 0.00 0.00 44.72 46.25 2kfy s GLY 101 CO 0.47 3.22 1.33 -1.55 0.00 0.00 0.00 173.10 176.56