#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 0.98 0.07 2.12 1.00 -1.26 -4.91 119.30 117.31 2kfy s MET 2 Ca 0.00 1.11 0.19 0.00 0.00 0.00 0.00 55.69 56.99 2kfy s MET 2 Cb 0.00 -1.76 0.79 0.00 0.00 0.00 0.00 34.83 33.86 2kfy s MET 2 CO 0.00 -2.51 1.59 1.28 0.00 0.00 0.00 175.02 175.38 2kfy n LEU 3 N -4.11 0.20 0.00 -0.03 7.99 -1.26 -4.91 117.00 114.89 2kfy n LEU 3 Ca 0.08 0.54 0.00 0.00 -0.01 0.00 0.00 56.01 56.63 2kfy n LEU 3 Cb 0.54 -0.51 0.00 0.00 -0.11 0.00 0.00 43.42 43.34 2kfy n LEU 3 CO 0.54 -0.29 0.00 0.61 -1.51 0.00 0.00 177.39 176.73 2kfy n GLY 4 N 0.24 0.45 3.81 -0.72 0.00 -1.26 -5.16 105.19 102.55 2kfy n GLY 4 Ca 0.04 -1.02 -0.32 0.00 0.00 0.00 0.00 46.02 44.72 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 3.07 0.37 1.61 0.04 -1.26 -5.08 135.00 131.75 2kfy s PRO 5 Ca 0.00 1.05 -0.15 0.00 0.04 0.00 0.00 61.00 61.94 2kfy s PRO 5 Cb 0.00 -2.01 0.05 0.00 0.04 0.00 0.00 34.50 32.58 2kfy s PRO 5 CO 0.00 -1.00 0.76 -1.83 0.04 0.00 0.00 177.00 174.97 2kfy s GLU 6 N -4.68 2.16 0.00 4.56 -1.05 -1.26 -5.08 118.70 113.34 2kfy s GLU 6 Ca 0.60 -1.41 0.03 0.00 -0.15 0.00 0.00 54.97 54.04 2kfy s GLU 6 Cb -0.15 0.61 0.06 0.00 -0.44 0.00 0.00 34.13 34.21 2kfy s GLU 6 CO 0.48 -1.00 0.82 0.41 0.95 0.00 0.00 175.26 176.92 2kfy n GLY 7 N -0.52 0.77 3.80 -3.83 0.00 -1.26 -5.07 105.19 99.07 2kfy n GLY 7 Ca -0.07 -0.11 -0.09 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.73 0.29 0.00 -0.02 0.00 -1.26 -4.32 107.32 101.28 2kfy s GLY 8 Ca 0.04 -0.66 0.00 0.00 0.00 0.00 0.00 44.72 44.10 2kfy s GLY 8 CO -0.02 -0.28 0.66 1.18 0.00 0.00 0.00 173.10 174.64 2kfy n GLU 9 N -0.51 0.00 -4.15 2.90 1.02 -0.57 -4.85 120.64 114.48 2kfy n GLU 9 Ca -0.07 -0.56 -0.14 0.00 -0.02 0.00 0.00 57.16 56.37 2kfy n GLU 9 Cb 0.60 -0.34 -0.07 0.00 -0.02 0.00 0.00 31.44 31.61 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 1.55 -0.09 0.62 0.00 -0.79 -4.92 107.32 103.26 2kfy s GLY 10 Ca 0.00 -1.61 -0.02 0.00 0.00 0.00 0.00 44.72 43.10 2kfy s GLY 10 CO 0.00 -1.15 2.36 0.69 0.00 0.00 0.00 173.10 174.99 2kfy n PHE 11 N -0.49 0.41 -4.19 1.90 3.72 -1.26 -4.63 117.46 112.92 2kfy n PHE 11 Ca 0.02 -1.35 -0.18 0.00 -0.05 0.00 0.00 57.45 55.89 2kfy n PHE 11 Cb 0.63 -0.85 -0.12 0.00 -0.94 0.00 0.00 39.48 38.19 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 -0.41 1.09 0.11 -4.37 1.01 -1.26 -1.24 120.40 115.33 2kfy s VAL 12 Ca 0.22 -1.25 -0.00 0.00 0.00 0.00 0.00 61.98 60.95 2kfy s VAL 12 Cb 0.13 -1.05 -0.04 0.00 0.00 0.00 0.00 36.38 35.42 2kfy s VAL 12 CO -0.01 -0.20 0.01 0.68 0.00 0.00 0.00 175.10 175.58 2kfy s VAL 13 N -1.21 0.28 0.25 2.92 -7.23 -0.57 -1.24 120.40 113.60 2kfy s VAL 13 Ca -0.02 -1.90 0.04 0.00 -1.81 0.00 0.00 61.98 58.29 2kfy s VAL 13 Cb -0.10 -1.89 -0.03 0.00 0.56 0.00 0.00 36.38 34.93 2kfy s VAL 13 CO 0.02 -0.64 0.39 -0.54 -0.31 0.00 0.00 175.10 174.01 2kfy s LYS 14 N -3.97 3.45 -0.00 4.82 1.02 0.74 -0.57 119.74 125.22 2kfy s LYS 14 Ca 0.18 -0.67 -0.00 0.00 0.02 0.00 0.00 55.97 55.50 2kfy s LYS 14 Cb 0.07 -2.86 0.00 0.00 -0.52 0.00 0.00 37.83 34.53 2kfy s LYS 14 CO -0.02 0.39 0.01 -1.17 -0.92 0.00 0.00 175.35 173.65 2kfy s LEU 15 N -3.98 1.93 -0.02 3.17 1.98 -0.08 -2.76 118.68 118.93 2kfy s LEU 15 Ca 0.35 0.02 -0.15 0.00 -2.89 0.00 0.00 54.13 51.46 2kfy s LEU 15 Cb -0.09 0.04 0.02 0.00 0.66 0.00 0.00 46.19 46.82 2kfy s LEU 15 CO 0.30 -0.01 0.32 -0.13 -1.89 0.00 0.00 176.35 174.94 2kfy s ARG 16 N 0.03 0.67 0.00 1.98 0.52 -0.94 -0.34 118.95 120.87 2kfy s ARG 16 Ca -0.00 -0.17 0.00 0.00 -0.52 0.00 0.00 55.73 55.04 2kfy s ARG 16 Cb -0.00 0.30 0.00 0.00 0.52 0.00 0.00 34.95 35.77 2kfy s ARG 16 CO -0.00 -0.19 0.00 0.41 0.02 0.00 0.00 175.30 175.54 2kfy n GLY 17 N 1.29 -0.53 1.39 -3.53 0.00 -1.26 -0.53 105.19 102.03 2kfy n GLY 17 Ca -0.21 -1.68 0.17 0.00 0.00 0.00 0.00 46.02 44.30 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 -0.97 -4.25 0.99 4.77 -1.18 -4.40 117.00 111.95 2kfy n LEU 18 Ca 0.00 2.27 -0.09 0.00 -0.03 0.00 0.00 56.01 58.16 2kfy n LEU 18 Cb 0.00 -3.24 -0.06 0.00 -2.33 0.00 0.00 43.42 37.79 2kfy n LEU 18 CO 0.00 -2.22 1.03 -2.65 -1.33 0.00 0.00 177.39 172.22 2kfy n PRO 19 N -4.25 0.04 -0.36 3.23 -0.02 -1.26 -3.99 135.00 128.39 2kfy n PRO 19 Ca -0.08 -0.85 0.00 0.00 -2.02 0.00 0.00 63.50 60.55 2kfy n PRO 19 Cb 0.66 -2.47 0.00 0.00 -0.02 0.00 0.00 33.50 31.67 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 12.06 0.00 -3.74 6.00 5.03 -1.26 -4.86 117.44 130.66 2kfy n TRP 20 Ca 0.21 0.00 -0.10 0.00 3.03 0.00 0.00 57.50 60.65 2kfy n TRP 20 Cb 0.47 -1.20 -0.05 0.00 -1.03 0.00 0.00 31.31 29.50 2kfy n TRP 20 CO 0.00 0.00 0.00 -1.12 -0.03 0.00 0.00 177.69 176.54 2kfy s SER 21 N -1.37 -0.14 0.29 -0.99 0.01 -1.26 -1.23 113.70 109.02 2kfy s SER 21 Ca 0.00 -0.49 -0.11 0.00 1.31 0.00 0.00 55.95 56.66 2kfy s SER 21 Cb 0.00 0.47 0.04 0.00 0.21 0.00 0.00 66.02 66.74 2kfy s SER 21 CO 0.00 -0.88 0.59 0.00 0.41 0.00 0.00 173.24 173.36 2kfy s SER 23 N -2.54 0.19 0.53 0.00 1.04 -1.26 -5.03 113.70 106.62 2kfy s SER 23 Ca 0.12 -1.06 0.33 0.00 0.48 0.00 0.00 55.95 55.81 2kfy s SER 23 Cb -0.04 0.36 1.33 0.00 0.10 0.00 0.00 66.02 67.77 2kfy s SER 23 CO 0.09 -0.81 1.96 -0.37 0.98 0.00 0.00 173.24 175.09 2kfy h VAL 24 N 2.72 0.00 0.00 5.02 -1.51 -1.99 -2.89 116.25 117.60 2kfy h VAL 24 Ca -0.34 -0.49 -0.23 0.00 -1.23 0.00 0.00 66.70 64.41 2kfy h VAL 24 Cb 1.21 1.47 -0.04 0.00 -2.13 0.00 0.00 31.29 31.80 2kfy h VAL 24 CO 0.54 0.00 -1.30 -0.33 -1.23 0.00 0.00 177.57 175.25 2kfy h GLU 25 N 0.00 0.00 0.05 5.19 5.08 -1.99 -2.97 114.58 119.95 2kfy h GLU 25 Ca 0.00 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.13 2kfy h GLU 25 Cb 0.50 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 2kfy h GLU 25 CO 0.00 0.69 -1.07 -0.44 -1.00 0.00 0.00 179.01 177.20 2kfy h ASP 26 N 0.00 0.23 0.18 1.42 3.32 -1.94 -2.86 116.42 116.76 2kfy h ASP 26 Ca -0.14 -0.23 -0.22 0.00 0.02 0.00 0.00 57.03 56.46 2kfy h ASP 26 Cb 1.83 -0.07 0.01 0.00 0.22 0.00 0.00 39.33 41.31 2kfy h ASP 26 CO 0.10 1.14 -0.88 1.62 -1.72 0.00 0.00 179.24 179.50 2kfy h VAL 27 N 0.05 1.35 0.00 -1.35 3.04 -1.62 -1.88 116.25 115.85 2kfy h VAL 27 Ca -0.07 -2.25 -0.09 0.00 -1.01 0.00 0.00 66.70 63.28 2kfy h VAL 27 Cb 1.79 2.26 -0.01 0.00 -2.01 0.00 0.00 31.29 33.31 2kfy h VAL 27 CO 0.16 0.69 -0.42 0.06 -1.01 0.00 0.00 177.57 177.05 2kfy h GLN 28 N 0.33 0.00 0.00 4.17 3.07 -1.61 -1.95 115.11 119.11 2kfy h GLN 28 Ca -0.07 0.00 -0.12 0.00 0.09 0.00 0.00 58.65 58.55 2kfy h GLN 28 Cb 1.50 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 29.05 2kfy h GLN 28 CO 0.16 0.42 -0.58 -0.97 0.09 0.00 0.00 178.83 177.95 2kfy h ASN 29 N 0.00 0.00 0.92 0.06 -1.24 -1.43 -3.31 115.58 110.58 2kfy h ASN 29 Ca -0.00 0.00 -0.20 0.00 0.71 0.00 0.00 56.30 56.81 2kfy h ASN 29 Cb 0.93 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.95 2kfy h ASN 29 CO 0.05 0.58 -1.15 0.15 -1.29 0.00 0.00 177.43 175.78 2kfy h PHE 30 N 0.00 0.00 -1.05 0.67 3.57 -0.90 -3.32 116.94 115.92 2kfy h PHE 30 Ca -0.01 0.00 -0.74 0.00 3.53 0.00 0.00 57.97 60.76 2kfy h PHE 30 Cb 1.12 0.00 -0.11 0.00 2.79 0.00 0.00 35.95 39.75 2kfy h PHE 30 CO 0.00 0.82 2.55 1.28 -2.23 0.00 0.00 178.31 180.73 2kfy n LEU 31 N -3.16 8.11 -4.54 0.59 4.32 -0.77 -4.99 117.00 116.56 2kfy n LEU 31 Ca -0.06 -4.84 -0.40 0.00 -0.02 0.00 0.00 56.01 50.69 2kfy n LEU 31 Cb 0.91 -1.38 0.02 0.00 -1.62 0.00 0.00 43.42 41.35 2kfy n LEU 31 CO 0.44 2.06 0.32 -1.54 -1.22 0.00 0.00 177.39 177.45 2kfy n SER 32 N 1.92 0.09 0.00 -1.43 3.41 -1.25 -1.71 113.62 114.64 2kfy n SER 32 Ca 0.64 0.90 0.00 0.00 -0.26 0.00 0.00 58.87 60.15 2kfy n SER 32 Cb 0.25 -1.25 0.00 0.00 -0.26 0.00 0.00 64.21 62.95 2kfy n SER 32 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2kfy n ASP 33 N 0.55 0.00 -3.90 4.04 8.00 -1.26 -4.87 116.55 119.11 2kfy n ASP 33 Ca 0.11 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.31 2kfy n ASP 33 Cb 0.42 -1.47 0.22 0.00 -0.02 0.00 0.00 41.12 40.27 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 -3.55 -0.11 0.35 0.00 2.01 -1.26 -5.09 115.64 107.99 2kfy s THR 35 Ca 0.74 -0.20 -0.27 0.00 0.31 0.00 0.00 61.69 62.27 2kfy s THR 35 Cb -0.05 -0.61 -0.09 0.00 0.01 0.00 0.00 72.50 71.75 2kfy s THR 35 CO 0.54 -0.30 1.21 -0.63 -0.69 0.00 0.00 174.62 174.75 2kfy s ILE 36 N 2.16 3.04 0.41 1.82 1.09 -1.26 -1.62 121.20 126.83 2kfy s ILE 36 Ca 0.03 0.96 0.23 0.00 -1.10 0.00 0.00 60.65 60.77 2kfy s ILE 36 Cb -0.16 -3.58 0.42 0.00 -1.06 0.00 0.00 42.46 38.08 2kfy s ILE 36 CO -0.11 0.17 1.72 -0.74 -0.10 0.00 0.00 174.94 175.88 2kfy h HIS 37 N 3.12 0.60 0.00 3.97 -0.00 -1.24 -3.24 115.15 118.36 2kfy h HIS 37 Ca -0.48 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 59.91 2kfy h HIS 37 Cb 1.23 -0.17 0.00 0.00 -0.00 0.00 0.00 27.41 28.47 2kfy h HIS 37 CO 0.56 -0.04 0.00 -0.25 -0.00 0.00 0.00 177.93 178.20 2kfy n ASP 38 N -4.65 0.00 0.00 3.26 8.00 -1.26 -4.91 116.55 116.98 2kfy n ASP 38 Ca 0.29 -1.00 0.00 0.00 0.71 0.00 0.00 54.79 54.79 2kfy n ASP 38 Cb 1.07 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 42.17 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 2.47 0.00 0.44 0.00 -1.22 -3.27 105.19 103.60 2kfy n GLY 39 Ca 0.00 -0.37 0.02 0.00 0.00 0.00 0.00 46.02 45.67 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 9.88 1.73 -0.86 4.61 0.00 -1.26 -0.97 120.51 133.64 2kfy n ALA 40 Ca 0.00 -0.03 0.03 0.00 0.00 0.00 0.00 53.44 53.45 2kfy n ALA 40 Cb 0.00 -1.07 0.05 0.00 0.00 0.00 0.00 19.45 18.43 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 -0.84 1.94 -0.48 0.00 0.00 -1.20 -4.65 120.51 115.26 2kfy n ALA 41 Ca 0.03 -1.49 0.00 0.00 0.00 0.00 0.00 53.44 51.98 2kfy n ALA 41 Cb 0.02 -0.22 0.00 0.00 0.00 0.00 0.00 19.45 19.25 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 -0.67 0.31 3.81 0.00 0.00 -0.14 -4.58 105.19 103.91 2kfy n GLY 42 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.09 3.28 0.12 1.61 0.11 -0.98 -2.58 120.40 121.87 2kfy s VAL 43 Ca 0.00 0.42 -0.13 0.00 -2.93 0.00 0.00 61.98 59.34 2kfy s VAL 43 Cb 0.00 -3.17 0.02 0.00 -1.53 0.00 0.00 36.38 31.69 2kfy s VAL 43 CO 0.00 -0.54 0.32 -1.00 -3.33 0.00 0.00 175.10 170.54 2kfy s HIS 44 N -3.14 0.01 0.26 1.54 3.76 -0.76 -4.94 115.29 112.02 2kfy s HIS 44 Ca 0.60 -0.38 -0.06 0.00 -0.15 0.00 0.00 55.06 55.07 2kfy s HIS 44 Cb -0.14 0.11 -0.01 0.00 1.11 0.00 0.00 32.58 33.65 2kfy s HIS 44 CO 0.54 -0.66 0.38 -0.06 -0.85 0.00 0.00 174.74 174.09 2kfy s PHE 45 N -3.85 0.81 -0.02 1.40 0.08 -1.26 -2.92 117.98 112.22 2kfy s PHE 45 Ca 0.06 -1.08 0.04 0.00 0.12 0.00 0.00 56.93 56.07 2kfy s PHE 45 Cb 0.03 -0.11 -0.01 0.00 -0.57 0.00 0.00 43.02 42.36 2kfy s PHE 45 CO -0.09 -0.94 -0.13 0.42 -0.10 0.00 0.00 175.22 174.38 2kfy s ILE 46 N -3.77 1.06 0.35 0.64 1.01 -0.86 -4.83 121.20 114.80 2kfy s ILE 46 Ca 0.30 -0.56 -0.17 0.00 0.00 0.00 0.00 60.65 60.22 2kfy s ILE 46 Cb 0.02 -0.89 0.04 0.00 0.01 0.00 0.00 42.46 41.63 2kfy s ILE 46 CO 0.13 0.30 0.74 -0.72 0.00 0.00 0.00 174.94 175.40 2kfy s TYR 47 N -0.21 0.08 0.32 3.97 -0.85 -1.26 -2.47 117.35 116.93 2kfy s TYR 47 Ca 0.03 -0.66 -0.00 0.00 -0.52 0.00 0.00 57.07 55.92 2kfy s TYR 47 Cb -0.06 0.74 -0.01 0.00 0.38 0.00 0.00 41.96 43.00 2kfy s TYR 47 CO -0.00 -1.43 0.40 0.95 -1.52 0.00 0.00 175.55 173.94 2kfy s THR 48 N -2.88 0.00 0.59 -3.49 -4.23 -1.26 -4.64 115.64 99.72 2kfy s THR 48 Ca 0.15 -1.72 0.29 0.00 -1.18 0.00 0.00 61.69 59.23 2kfy s THR 48 Cb -0.05 -2.57 0.36 0.00 1.34 0.00 0.00 72.50 71.58 2kfy s THR 48 CO 0.10 0.00 2.21 0.08 -0.54 0.00 0.00 174.62 176.48 2kfy h ARG 49 N 2.17 0.00 0.00 3.99 -0.00 -2.01 -0.88 114.38 117.64 2kfy h ARG 49 Ca -0.28 0.00 -0.01 0.00 -0.00 0.00 0.00 59.98 59.70 2kfy h ARG 49 Cb 1.24 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 31.21 2kfy h ARG 49 CO 0.39 0.00 -0.02 1.49 -0.00 0.00 0.00 179.97 181.83 2kfy h GLU 50 N 0.00 0.00 0.00 0.08 4.57 -2.03 -3.47 114.58 113.74 2kfy h GLU 50 Ca 0.02 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 2kfy h GLU 50 Cb 0.14 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.73 2kfy h GLU 50 CO -0.00 0.02 0.00 0.41 -1.18 0.00 0.00 179.01 178.26 2kfy n GLY 51 N -1.30 0.44 0.19 1.92 0.00 -0.34 -4.94 105.19 101.16 2kfy n GLY 51 Ca -0.03 -0.98 0.14 0.00 0.00 0.00 0.00 46.02 45.15 2kfy n GLY 51 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2kfy h ARG 52 N 0.00 0.00 -6.98 1.61 0.11 -1.91 -3.47 114.38 103.74 2kfy h ARG 52 Ca 0.00 0.00 -0.61 0.00 0.10 0.00 0.00 59.98 59.47 2kfy h ARG 52 Cb 0.13 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 31.15 2kfy h ARG 52 CO 0.00 0.00 -1.00 1.04 0.10 0.00 0.00 179.97 180.11 2kfy n GLN 53 N -2.56 -0.43 -1.10 0.08 1.13 -1.26 -4.83 117.38 108.40 2kfy n GLN 53 Ca 0.01 0.08 -0.36 0.00 -1.94 0.00 0.00 57.00 54.79 2kfy n GLN 53 Cb 0.25 -2.78 0.06 0.00 0.11 0.00 0.00 30.24 27.88 2kfy n GLN 53 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 2kfy n SER 54 N -2.33 -2.94 0.04 1.08 7.64 -1.03 -4.37 113.62 111.70 2kfy n SER 54 Ca -0.16 0.45 0.13 0.00 1.01 0.00 0.00 58.87 60.30 2kfy n SER 54 Cb 0.60 -1.05 0.53 0.00 -1.01 0.00 0.00 64.21 63.28 2kfy n SER 54 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2kfy n GLY 55 N 2.20 -1.53 3.75 0.23 0.00 -0.37 -4.47 105.19 105.01 2kfy n GLY 55 Ca 0.06 -0.06 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 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 -3.04 4.22 0.31 1.61 2.02 -1.26 -4.16 118.70 118.40 2kfy s GLU 56 Ca 0.12 2.40 -0.18 0.00 0.02 0.00 0.00 54.97 57.33 2kfy s GLU 56 Cb 0.16 -3.07 0.06 0.00 0.10 0.00 0.00 34.13 31.38 2kfy s GLU 56 CO 0.53 -0.48 0.89 0.00 0.02 0.00 0.00 175.26 176.22 2kfy s ALA 57 N -0.12 -1.05 0.12 5.21 0.00 0.53 -2.03 121.76 124.43 2kfy s ALA 57 Ca 0.60 -0.62 -0.00 0.00 0.00 0.00 0.00 51.96 51.94 2kfy s ALA 57 Cb -0.44 0.71 -0.04 0.00 0.00 0.00 0.00 23.12 23.35 2kfy s ALA 57 CO 0.46 -1.02 0.02 -0.06 0.00 0.00 0.00 175.76 175.17 2kfy s PHE 58 N -2.17 0.89 -0.12 0.00 0.08 -1.15 -0.90 117.98 114.61 2kfy s PHE 58 Ca 0.18 -1.13 -0.04 0.00 0.12 0.00 0.00 56.93 56.06 2kfy s PHE 58 Cb -0.04 -0.52 0.06 0.00 -0.57 0.00 0.00 43.02 41.95 2kfy s PHE 58 CO 0.09 -0.39 0.22 0.08 -0.10 0.00 0.00 175.22 175.13 2kfy s VAL 59 N -3.90 -0.36 0.41 -0.44 1.01 0.26 -1.83 120.40 115.56 2kfy s VAL 59 Ca 0.20 0.28 -0.19 0.00 0.00 0.00 0.00 61.98 62.28 2kfy s VAL 59 Cb 0.07 -0.41 -0.10 0.00 0.00 0.00 0.00 36.38 35.94 2kfy s VAL 59 CO -0.00 0.11 0.89 -1.61 0.00 0.00 0.00 175.10 174.49 2kfy s GLU 60 N 2.37 4.12 0.08 2.72 2.02 -1.06 -1.51 118.70 127.44 2kfy s GLU 60 Ca 0.02 0.96 0.00 0.00 0.02 0.00 0.00 54.97 55.98 2kfy s GLU 60 Cb -0.12 -2.24 -0.00 0.00 0.10 0.00 0.00 34.13 31.86 2kfy s GLU 60 CO -0.08 -0.01 0.02 1.28 0.02 0.00 0.00 175.26 176.48 2kfy n LEU 61 N -0.72 0.00 -0.10 1.80 4.77 -0.38 -1.07 117.00 121.30 2kfy n LEU 61 Ca 0.06 -0.58 -0.11 0.00 -0.03 0.00 0.00 56.01 55.35 2kfy n LEU 61 Cb 0.54 0.15 -0.14 0.00 -2.33 0.00 0.00 43.42 41.63 2kfy n LEU 61 CO 0.40 -0.09 -1.17 0.61 -1.33 0.00 0.00 177.39 175.81 2kfy n GLY 62 N 2.54 -0.83 3.61 -0.72 0.00 -0.64 -4.03 105.19 105.12 2kfy n GLY 62 Ca -0.02 -0.29 -0.09 0.00 0.00 0.00 0.00 46.02 45.62 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 -5.58 -0.09 0.53 1.61 0.01 -1.26 -5.03 113.70 103.89 2kfy s SER 63 Ca -0.14 -0.92 0.19 0.00 1.31 0.00 0.00 55.95 56.39 2kfy s SER 63 Cb 0.06 0.60 1.36 0.00 0.21 0.00 0.00 66.02 68.26 2kfy s SER 63 CO 0.75 -1.16 2.16 -0.08 0.41 0.00 0.00 173.24 175.32 2kfy h GLU 64 N 2.23 0.00 0.00 12.44 4.81 -1.95 -1.61 114.58 130.50 2kfy h GLU 64 Ca -0.26 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 58.90 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 0.35 0.00 -0.33 0.22 -0.73 0.00 0.00 179.01 178.51 2kfy h ASP 65 N 0.00 0.00 0.34 1.04 3.58 -2.00 -2.35 116.42 117.03 2kfy h ASP 65 Ca 0.01 0.00 -0.28 0.00 0.42 0.00 0.00 57.03 57.18 2kfy h ASP 65 Cb 0.04 0.00 0.02 0.00 1.72 0.00 0.00 39.33 41.11 2kfy h ASP 65 CO -0.00 0.33 -1.22 0.44 -2.88 0.00 0.00 179.24 175.91 2kfy h ASP 66 N 0.00 0.67 -0.43 2.28 3.32 -1.67 -2.62 116.42 117.97 2kfy h ASP 66 Ca -0.00 -0.65 -0.13 0.00 0.02 0.00 0.00 57.03 56.27 2kfy h ASP 66 Cb 0.77 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.09 2kfy h ASP 66 CO 0.04 1.47 -0.25 1.62 -1.72 0.00 0.00 179.24 180.41 2kfy h VAL 67 N 0.19 1.27 -0.35 -1.35 3.04 -1.40 -0.79 116.25 116.87 2kfy h VAL 67 Ca -0.16 -1.41 0.01 0.00 -1.01 0.00 0.00 66.70 64.13 2kfy h VAL 67 Cb 1.90 1.18 -0.02 0.00 -2.01 0.00 0.00 31.29 32.34 2kfy h VAL 67 CO 0.22 0.48 0.22 0.11 -1.01 0.00 0.00 177.57 177.59 2kfy h LYS 68 N 0.81 0.44 0.00 4.17 1.57 -1.48 -2.54 116.57 119.54 2kfy h LYS 68 Ca 0.10 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.79 2kfy h LYS 68 Cb 0.82 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.02 2kfy h LYS 68 CO 0.07 0.29 -0.30 0.52 -0.57 0.00 0.00 179.45 179.47 2kfy h MET 69 N 0.46 0.00 0.00 3.15 2.86 -1.24 -2.11 114.93 118.05 2kfy h MET 69 Ca 0.13 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.71 2kfy h MET 69 Cb -0.04 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.61 2kfy h MET 69 CO -0.04 0.30 -0.30 0.00 1.06 0.00 0.00 176.91 177.92 2kfy h ALA 70 N 1.70 1.03 0.00 6.32 0.00 -0.79 -2.87 119.26 124.66 2kfy h ALA 70 Ca -0.00 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2kfy h ALA 70 Cb 0.56 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2kfy h ALA 70 CO 0.04 0.38 -0.35 1.28 0.00 0.00 0.00 179.25 180.60 2kfy n LEU 71 N -3.50 0.75 0.00 0.00 4.77 -0.82 -3.68 117.00 114.51 2kfy n LEU 71 Ca -0.00 0.38 0.07 0.00 -0.03 0.00 0.00 56.01 56.43 2kfy n LEU 71 Cb 0.46 -0.24 0.34 0.00 -2.33 0.00 0.00 43.42 41.65 2kfy n LEU 71 CO 0.35 -0.11 0.71 0.29 -1.33 0.00 0.00 177.39 177.30 2kfy n LYS 72 N -2.17 0.13 -0.77 3.23 4.76 -1.07 -2.62 118.16 119.65 2kfy n LYS 72 Ca 0.04 0.19 0.04 0.00 -2.87 0.00 0.00 58.31 55.71 2kfy n LYS 72 Cb 0.43 -1.50 0.07 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 -1.36 0.52 0.09 1.97 0.00 -1.24 -4.94 118.16 113.20 2kfy n LYS 73 Ca 0.06 -2.03 0.02 0.00 -0.00 0.00 0.00 58.31 56.35 2kfy n LYS 73 Cb 0.13 -0.72 0.09 0.00 -0.00 0.00 0.00 35.03 34.53 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 -0.30 0.08 -0.90 -5.58 5.68 -1.08 -1.64 116.55 112.82 2kfy n ASP 74 Ca 0.08 0.27 -0.00 0.00 -0.50 0.00 0.00 54.79 54.64 2kfy n ASP 74 Cb 0.83 -0.18 -0.01 0.00 -1.14 0.00 0.00 41.12 40.63 2kfy n ASP 74 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2kfy n ARG 75 N -1.56 0.00 0.00 0.11 1.74 -1.25 -1.11 116.66 114.59 2kfy n ARG 75 Ca -0.00 -1.08 0.00 0.00 -0.77 0.00 0.00 57.85 56.00 2kfy n ARG 75 Cb 0.48 -0.03 0.00 0.00 -1.02 0.00 0.00 32.46 31.90 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 0.15 -1.34 0.00 5.56 -0.58 -0.65 -4.56 120.64 119.21 2kfy n GLU 76 Ca -0.04 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.70 2kfy n GLU 76 Cb 0.79 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.66 2kfy n GLU 76 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 2kfy n SER 77 N -2.63 0.00 -0.13 1.62 3.41 -1.26 -0.34 113.62 114.29 2kfy n SER 77 Ca 0.00 -1.00 -0.01 0.00 -0.26 0.00 0.00 58.87 57.60 2kfy n SER 77 Cb 0.00 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 63.94 2kfy n SER 77 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 2kfy n MET 78 N 0.00 -1.94 -0.99 4.33 2.81 -1.26 -0.68 117.12 119.40 2kfy n MET 78 Ca 0.00 0.37 0.00 0.00 -1.81 0.00 0.00 57.70 56.26 2kfy n MET 78 Cb 0.28 -4.22 0.00 0.00 -0.71 0.00 0.00 33.22 28.57 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 0.57 0.65 0.00 3.03 0.00 -1.26 -4.79 105.19 103.39 2kfy n GLY 79 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2kfy n GLY 79 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2kfy n HIS 80 N -2.57 0.00 0.00 1.61 8.25 -0.40 -5.13 115.22 116.98 2kfy n HIS 80 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2kfy n HIS 80 Cb 0.02 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.13 2kfy n HIS 80 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 2kfy n ARG 81 N 0.00 0.00 -3.47 -0.41 3.00 0.14 -5.15 116.66 110.78 2kfy n ARG 81 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 57.85 57.86 2kfy n ARG 81 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 32.46 32.43 2kfy n ARG 81 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.63 177.16 2kfy s TYR 82 N 2.16 -1.21 0.22 -0.14 5.04 -1.25 -4.55 117.35 117.62 2kfy s TYR 82 Ca 0.00 1.87 0.11 0.00 -2.44 0.00 0.00 57.07 56.61 2kfy s TYR 82 Cb 0.00 0.64 -0.05 0.00 0.35 0.00 0.00 41.96 42.91 2kfy s TYR 82 CO 0.00 -0.62 -0.20 0.42 -1.34 0.00 0.00 175.55 173.81 2kfy s ILE 83 N 2.80 2.24 0.06 3.14 -1.09 0.54 -3.08 121.20 125.81 2kfy s ILE 83 Ca 0.00 -2.17 -0.06 0.00 -2.23 0.00 0.00 60.65 56.18 2kfy s ILE 83 Cb -0.11 -2.13 -0.01 0.00 -1.58 0.00 0.00 42.46 38.62 2kfy s ILE 83 CO -0.19 -0.31 0.12 -1.61 -1.23 0.00 0.00 174.94 171.73 2kfy s GLU 84 N -3.11 0.69 0.03 2.79 2.02 0.31 -3.03 118.70 118.40 2kfy s GLU 84 Ca 0.24 -0.88 -0.00 0.00 0.02 0.00 0.00 54.97 54.35 2kfy s GLU 84 Cb -0.06 0.27 -0.03 0.00 0.10 0.00 0.00 34.13 34.42 2kfy s GLU 84 CO 0.11 -0.19 -0.03 0.08 0.02 0.00 0.00 175.26 175.25 2kfy s VAL 85 N -3.22 0.17 -0.03 2.63 1.01 -0.27 -2.22 120.40 118.47 2kfy s VAL 85 Ca 0.00 -1.27 -0.20 0.00 0.00 0.00 0.00 61.98 60.51 2kfy s VAL 85 Cb 0.02 -0.76 0.04 0.00 0.00 0.00 0.00 36.38 35.68 2kfy s VAL 85 CO -0.07 -0.69 0.44 0.12 0.00 0.00 0.00 175.10 174.90 2kfy s PHE 86 N -2.41 -0.35 0.50 5.22 2.19 -1.11 -4.73 117.98 117.29 2kfy s PHE 86 Ca -0.07 0.59 -0.20 0.00 0.33 0.00 0.00 56.93 57.58 2kfy s PHE 86 Cb -0.03 0.20 -0.08 0.00 -1.31 0.00 0.00 43.02 41.81 2kfy s PHE 86 CO -0.04 -0.46 1.07 0.21 1.83 0.00 0.00 175.22 177.83 2kfy s LYS 87 N -1.22 3.68 0.05 10.12 2.20 -1.26 -0.18 119.74 133.12 2kfy s LYS 87 Ca -0.12 1.46 0.01 0.00 -0.36 0.00 0.00 55.97 56.96 2kfy s LYS 87 Cb -0.03 -2.10 -0.00 0.00 -1.51 0.00 0.00 37.83 34.19 2kfy s LYS 87 CO 0.06 -0.55 0.04 0.45 -0.36 0.00 0.00 175.35 174.99 2kfy n SER 88 N -1.01 -0.10 0.00 1.43 2.88 -0.37 -4.03 113.62 112.42 2kfy n SER 88 Ca 0.10 -1.31 0.00 0.00 -1.33 0.00 0.00 58.87 56.33 2kfy n SER 88 Cb 0.52 0.24 0.00 0.00 -0.75 0.00 0.00 64.21 64.21 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 -0.09 -0.09 0.00 0.66 1.44 -1.26 -1.51 115.22 114.37 2kfy n HIS 89 Ca 0.01 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.72 2kfy n HIS 89 Cb 0.08 0.21 0.00 0.00 0.12 0.00 0.00 29.99 30.40 2kfy n HIS 89 CO 0.00 0.00 0.00 2.89 -2.81 0.00 0.00 176.34 176.42 2kfy n ARG 90 N -1.91 0.00 -0.01 -1.40 1.85 -1.26 -4.44 116.66 109.49 2kfy n ARG 90 Ca 0.00 0.00 -0.07 0.00 -1.00 0.00 0.00 57.85 56.78 2kfy n ARG 90 Cb 0.00 0.00 0.12 0.00 -1.05 0.00 0.00 32.46 31.53 2kfy n ARG 90 CO 0.00 0.00 0.00 1.15 -0.01 0.00 0.00 177.63 178.77 2kfy h THR 91 N 0.00 1.29 -0.10 8.89 2.02 -1.99 -0.47 112.91 122.56 2kfy h THR 91 Ca 0.00 -1.50 -0.20 0.00 0.77 0.00 0.00 66.41 65.47 2kfy h THR 91 Cb 0.00 1.50 0.00 0.00 -1.74 0.00 0.00 68.15 67.91 2kfy h THR 91 CO 0.00 0.48 -0.77 -0.08 0.37 0.00 0.00 175.52 175.51 2kfy h GLU 92 N 0.47 0.56 -0.44 6.66 4.81 -1.99 -2.88 114.58 121.76 2kfy h GLU 92 Ca 0.05 -0.47 -0.04 0.00 -0.13 0.00 0.00 59.36 58.77 2kfy h GLU 92 Cb 0.85 0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.31 2kfy h GLU 92 CO 0.07 1.10 0.11 1.98 -0.73 0.00 0.00 179.01 181.54 2kfy h MET 93 N 0.37 0.66 0.00 1.92 4.05 -1.89 -2.00 114.93 118.05 2kfy h MET 93 Ca -0.05 -0.12 -0.12 0.00 -0.28 0.00 0.00 59.70 59.14 2kfy h MET 93 Cb 1.38 -0.11 -0.02 0.00 -0.80 0.00 0.00 31.60 32.05 2kfy h MET 93 CO 0.14 0.60 -0.55 0.22 0.23 0.00 0.00 176.91 177.55 2kfy h ASP 94 N 0.64 0.00 0.02 1.39 3.58 -1.09 -3.28 116.42 117.69 2kfy h ASP 94 Ca 0.15 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.60 2kfy h ASP 94 Cb 0.24 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.29 2kfy h ASP 94 CO -0.00 0.55 -0.01 -0.25 -2.88 0.00 0.00 179.24 176.65 2kfy h TRP 95 N 0.00 -0.03 0.00 0.28 7.01 -1.16 -3.37 115.95 118.68 2kfy h TRP 95 Ca -0.01 -0.00 0.00 0.00 2.11 0.00 0.00 58.89 60.99 2kfy h TRP 95 Cb 1.17 0.01 0.00 0.00 -2.10 0.00 0.00 29.16 28.24 2kfy h TRP 95 CO 0.00 -0.02 0.00 -0.24 -2.79 0.00 0.00 178.44 175.39 2kfy h VAL 96 N -0.17 0.00 0.00 2.65 3.04 -1.61 -1.38 116.25 118.78 2kfy h VAL 96 Ca -0.00 -0.22 0.00 0.00 -1.01 0.00 0.00 66.70 65.47 2kfy h VAL 96 Cb 0.02 1.13 0.00 0.00 -2.01 0.00 0.00 31.29 30.43 2kfy h VAL 96 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.57 176.49 2kfy h LEU 97 N 0.00 0.00 -1.32 3.16 -0.00 -1.72 -2.62 115.31 112.81 2kfy h LEU 97 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 2kfy h LEU 97 Cb 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.89 2kfy h LEU 97 CO 0.00 0.00 -0.12 0.29 -0.00 0.00 0.00 178.44 178.61 2kfy n LYS 98 N -2.93 0.11 -0.07 1.13 4.76 -0.59 -4.85 118.16 115.73 2kfy n LYS 98 Ca -0.02 -0.67 0.00 0.00 -2.87 0.00 0.00 58.31 54.74 2kfy n LYS 98 Cb 0.08 -0.53 0.00 0.00 -1.84 0.00 0.00 35.03 32.74 2kfy n LYS 98 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 2kfy n HIS 99 N -0.03 0.00 -0.72 2.13 8.25 -0.80 -5.10 115.22 118.95 2kfy n HIS 99 Ca 0.00 -0.08 -0.30 0.00 -0.26 0.00 0.00 57.72 57.09 2kfy n HIS 99 Cb 0.54 -0.02 0.20 0.00 1.12 0.00 0.00 29.99 31.83 2kfy n HIS 99 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2kfy s SER 100 N -0.32 2.15 0.29 0.41 0.15 -1.00 -4.89 113.70 110.49 2kfy s SER 100 Ca 0.01 1.77 -0.20 0.00 0.70 0.00 0.00 55.95 58.22 2kfy s SER 100 Cb 0.01 -2.38 0.04 0.00 -1.71 0.00 0.00 66.02 61.97 2kfy s SER 100 CO 0.00 -3.51 0.78 -0.83 1.20 0.00 0.00 173.24 170.88 2kfy s GLY 101 N -2.74 0.02 0.00 9.45 0.00 -1.26 -4.94 107.32 107.85 2kfy s GLY 101 Ca 0.67 -0.37 0.00 0.00 0.00 0.00 0.00 44.72 45.01 2kfy s GLY 101 CO 0.61 -0.03 0.07 -1.05 0.00 0.00 0.00 173.10 172.70