#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 0.15 0.03 0.00 -1.26 -4.90 117.12 111.14 2kfy n MET 2 Ca 0.00 -0.23 0.12 0.00 -0.00 0.00 0.00 57.70 57.59 2kfy n MET 2 Cb 0.00 -0.31 0.54 0.00 0.00 0.00 0.00 33.22 33.46 2kfy n MET 2 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 175.97 175.86 2kfy n LEU 3 N 0.00 0.66 -4.02 -0.89 7.94 -1.26 -4.88 117.00 114.55 2kfy n LEU 3 Ca 0.00 0.71 0.05 0.00 -1.11 0.00 0.00 56.01 55.66 2kfy n LEU 3 Cb 0.44 -0.68 0.01 0.00 0.53 0.00 0.00 43.42 43.72 2kfy n LEU 3 CO 0.00 -0.72 1.20 -0.83 -1.11 0.00 0.00 177.39 175.93 2kfy s GLY 4 N -3.58 -0.23 0.95 -3.96 0.00 -1.26 -5.18 107.32 94.07 2kfy s GLY 4 Ca 0.02 0.19 -0.16 0.00 0.00 0.00 0.00 44.72 44.77 2kfy s GLY 4 CO 0.33 6.67 0.98 -1.55 0.00 0.00 0.00 173.10 179.53 2kfy n PRO 5 N -0.97 -2.20 -3.78 2.90 -0.04 -1.26 -5.09 135.00 124.56 2kfy n PRO 5 Ca 0.06 -1.55 -0.11 0.00 -0.04 0.00 0.00 63.50 61.86 2kfy n PRO 5 Cb 0.58 -1.29 -0.07 0.00 -0.04 0.00 0.00 33.50 32.68 2kfy n PRO 5 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 2kfy s GLU 6 N -5.20 0.80 0.00 0.54 2.12 -1.26 -5.00 118.70 110.70 2kfy s GLU 6 Ca 0.61 -0.59 0.00 0.00 0.36 0.00 0.00 54.97 55.35 2kfy s GLU 6 Cb -0.04 0.34 0.00 0.00 0.26 0.00 0.00 34.13 34.69 2kfy s GLU 6 CO 0.45 -0.25 0.00 0.41 -0.54 0.00 0.00 175.26 175.33 2kfy n GLY 7 N 0.51 -1.30 1.71 -1.50 0.00 -1.26 -5.02 105.19 98.33 2kfy n GLY 7 Ca -0.18 -1.01 -0.00 0.00 0.00 0.00 0.00 46.02 44.82 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 -0.10 -0.39 0.42 -0.02 0.00 -1.25 -4.33 105.19 99.53 2kfy n GLY 8 Ca 0.00 -0.03 0.03 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 -0.31 0.39 0.00 1.61 1.02 -1.25 -4.78 120.64 117.32 2kfy n GLU 9 Ca -0.04 -1.53 0.04 0.00 -0.02 0.00 0.00 57.16 55.62 2kfy n GLU 9 Cb 0.57 -0.78 0.00 0.00 -0.02 0.00 0.00 31.44 31.21 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 -0.41 -0.23 3.68 0.62 0.00 -1.26 -5.00 105.19 102.60 2kfy n GLY 10 Ca 0.05 -0.24 -0.23 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.19 -2.13 -4.23 1.61 3.72 -1.26 -4.78 117.46 110.19 2kfy n PHE 11 Ca 0.04 0.89 -0.18 0.00 -0.05 0.00 0.00 57.45 58.15 2kfy n PHE 11 Cb 0.18 -4.50 -0.11 0.00 -0.94 0.00 0.00 39.48 34.11 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 -3.51 1.29 0.05 -4.37 1.01 -1.26 -0.22 120.40 113.39 2kfy s VAL 12 Ca 0.19 -1.65 0.00 0.00 0.00 0.00 0.00 61.98 60.52 2kfy s VAL 12 Cb -0.09 -1.46 -0.03 0.00 0.00 0.00 0.00 36.38 34.79 2kfy s VAL 12 CO 0.79 -0.39 -0.04 0.68 0.00 0.00 0.00 175.10 176.14 2kfy s VAL 13 N -2.01 0.30 0.48 2.92 -7.23 -0.48 -1.11 120.40 113.27 2kfy s VAL 13 Ca 0.07 -1.46 -0.04 0.00 -1.81 0.00 0.00 61.98 58.74 2kfy s VAL 13 Cb -0.06 -1.05 -0.03 0.00 0.56 0.00 0.00 36.38 35.81 2kfy s VAL 13 CO 0.03 -0.75 0.77 -0.54 -0.31 0.00 0.00 175.10 174.29 2kfy s LYS 14 N -2.87 3.38 0.01 4.82 1.02 0.12 -0.62 119.74 125.60 2kfy s LYS 14 Ca -0.01 0.03 0.01 0.00 0.02 0.00 0.00 55.97 56.01 2kfy s LYS 14 Cb -0.00 -2.41 -0.01 0.00 -0.52 0.00 0.00 37.83 34.89 2kfy s LYS 14 CO -0.05 -0.25 -0.02 -1.17 -0.92 0.00 0.00 175.35 172.93 2kfy s LEU 15 N -4.71 2.07 0.08 3.17 1.98 -0.00 -2.78 118.68 118.48 2kfy s LEU 15 Ca 0.48 -0.17 -0.06 0.00 -2.89 0.00 0.00 54.13 51.49 2kfy s LEU 15 Cb -0.10 -0.05 -0.02 0.00 0.66 0.00 0.00 46.19 46.68 2kfy s LEU 15 CO 0.43 -0.06 0.11 -0.13 -1.89 0.00 0.00 176.35 174.81 2kfy s ARG 16 N -0.45 0.77 0.00 1.98 0.52 -1.02 -0.19 118.95 120.56 2kfy s ARG 16 Ca -0.04 -1.07 0.00 0.00 -0.52 0.00 0.00 55.73 54.10 2kfy s ARG 16 Cb -0.03 0.29 0.00 0.00 0.52 0.00 0.00 34.95 35.73 2kfy s ARG 16 CO -0.00 -0.21 0.00 0.41 0.02 0.00 0.00 175.30 175.51 2kfy n GLY 17 N -0.00 -1.53 0.00 -3.53 0.00 -0.95 -1.84 105.19 97.33 2kfy n GLY 17 Ca -0.14 -1.97 0.00 0.00 0.00 0.00 0.00 46.02 43.91 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 0.00 -2.15 0.99 4.77 -1.19 -4.62 117.00 114.80 2kfy n LEU 18 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2kfy n LEU 18 Cb 0.00 0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 2kfy n LEU 18 CO 0.00 0.00 0.02 -2.65 -1.33 0.00 0.00 177.39 173.43 2kfy n PRO 19 N -0.43 0.00 -0.99 3.23 -0.02 -1.26 -4.53 135.00 131.01 2kfy n PRO 19 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 2kfy n PRO 19 Cb 0.00 -1.24 0.00 0.00 -0.02 0.00 0.00 33.50 32.24 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 1.78 0.00 -3.45 6.00 7.02 -1.26 -4.90 117.44 122.63 2kfy n TRP 20 Ca 0.00 0.00 -0.12 0.00 -1.02 0.00 0.00 57.50 56.36 2kfy n TRP 20 Cb 0.00 -1.82 -0.03 0.00 -2.42 0.00 0.00 31.31 27.04 2kfy n TRP 20 CO 0.00 0.00 0.00 0.45 -2.02 0.00 0.00 177.69 176.12 2kfy s SER 21 N -2.00 -0.55 0.22 -0.99 0.15 -1.26 -3.41 113.70 105.85 2kfy s SER 21 Ca 0.00 0.04 -0.22 0.00 0.70 0.00 0.00 55.95 56.47 2kfy s SER 21 Cb 0.00 0.58 0.06 0.00 -1.71 0.00 0.00 66.02 64.95 2kfy s SER 21 CO 0.00 -0.93 0.93 0.00 1.20 0.00 0.00 173.24 174.44 2kfy s SER 23 N -3.10 0.31 0.58 0.00 0.01 -1.26 -5.05 113.70 105.18 2kfy s SER 23 Ca 0.16 -0.82 0.35 0.00 1.31 0.00 0.00 55.95 56.94 2kfy s SER 23 Cb -0.03 0.26 1.76 0.00 0.21 0.00 0.00 66.02 68.22 2kfy s SER 23 CO 0.05 -0.65 2.15 -0.37 0.41 0.00 0.00 173.24 174.83 2kfy h VAL 24 N 2.99 0.20 0.00 3.43 -1.51 -1.98 -2.10 116.25 117.27 2kfy h VAL 24 Ca -0.34 -0.35 -0.13 0.00 -1.23 0.00 0.00 66.70 64.65 2kfy h VAL 24 Cb 1.17 1.28 -0.02 0.00 -2.13 0.00 0.00 31.29 31.59 2kfy h VAL 24 CO 0.61 0.04 -0.71 -0.33 -1.23 0.00 0.00 177.57 175.95 2kfy h GLU 25 N 0.00 0.00 0.08 5.19 5.08 -1.97 -3.03 114.58 119.94 2kfy h GLU 25 Ca -0.00 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.09 2kfy h GLU 25 Cb 0.28 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 2kfy h GLU 25 CO 0.01 0.53 -1.29 -0.44 -1.00 0.00 0.00 179.01 176.82 2kfy h ASP 26 N 0.00 0.28 -0.11 1.42 3.32 -1.81 -2.53 116.42 116.99 2kfy h ASP 26 Ca -0.03 -0.33 -0.20 0.00 0.02 0.00 0.00 57.03 56.49 2kfy h ASP 26 Cb 1.47 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.93 2kfy h ASP 26 CO 0.07 1.26 -0.69 1.62 -1.72 0.00 0.00 179.24 179.79 2kfy h VAL 27 N 0.05 1.29 0.00 -1.35 3.04 -1.60 -2.57 116.25 115.11 2kfy h VAL 27 Ca -0.14 -1.91 -0.01 0.00 -1.01 0.00 0.00 66.70 63.63 2kfy h VAL 27 Cb 1.93 1.88 -0.00 0.00 -2.01 0.00 0.00 31.29 33.09 2kfy h VAL 27 CO 0.16 0.61 -0.04 0.06 -1.01 0.00 0.00 177.57 177.35 2kfy h GLN 28 N 0.53 0.00 0.00 4.17 3.07 -1.63 -2.65 115.11 118.59 2kfy h GLN 28 Ca -0.02 0.00 -0.10 0.00 0.09 0.00 0.00 58.65 58.62 2kfy h GLN 28 Cb 1.29 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.84 2kfy h GLN 28 CO 0.14 0.04 -0.47 -0.97 0.09 0.00 0.00 178.83 177.66 2kfy h ASN 29 N 0.00 0.00 1.43 0.06 -1.24 -1.25 -3.06 115.58 111.51 2kfy h ASN 29 Ca -0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 2kfy h ASN 29 Cb 0.81 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.86 2kfy h ASN 29 CO 0.01 0.47 -0.57 0.15 -1.29 0.00 0.00 177.43 176.20 2kfy h PHE 30 N 0.00 0.00 -2.37 0.67 3.57 -1.19 -3.35 116.94 114.27 2kfy h PHE 30 Ca -0.00 0.00 -0.81 0.00 3.53 0.00 0.00 57.97 60.69 2kfy h PHE 30 Cb 0.84 0.00 -0.28 0.00 2.79 0.00 0.00 35.95 39.30 2kfy h PHE 30 CO 0.00 0.00 0.96 1.28 -2.23 0.00 0.00 178.31 178.32 2kfy n LEU 31 N -2.86 7.13 -4.59 0.59 4.32 -1.02 -5.04 117.00 115.53 2kfy n LEU 31 Ca 0.02 -5.36 -0.40 0.00 -0.02 0.00 0.00 56.01 50.24 2kfy n LEU 31 Cb 0.54 -1.18 0.03 0.00 -1.62 0.00 0.00 43.42 41.19 2kfy n LEU 31 CO 0.37 1.99 0.51 -1.20 -1.22 0.00 0.00 177.39 177.84 2kfy n SER 32 N 0.19 0.83 0.00 -1.43 7.64 -1.26 -1.98 113.62 117.61 2kfy n SER 32 Ca 0.43 0.93 0.00 0.00 1.01 0.00 0.00 58.87 61.24 2kfy n SER 32 Cb 0.28 -1.34 0.00 0.00 -1.01 0.00 0.00 64.21 62.13 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 0.13 0.00 -3.33 6.43 8.00 -1.26 -4.95 116.55 121.57 2kfy n ASP 33 Ca 0.11 0.00 -0.21 0.00 0.71 0.00 0.00 54.79 55.40 2kfy n ASP 33 Cb 0.43 -1.90 0.15 0.00 -0.02 0.00 0.00 41.12 39.79 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 -2.91 0.75 -0.27 0.00 2.01 -1.26 -5.07 115.64 108.89 2kfy s THR 35 Ca 0.53 -1.56 0.10 0.00 0.31 0.00 0.00 61.69 61.07 2kfy s THR 35 Cb -0.02 -1.23 0.49 0.00 0.01 0.00 0.00 72.50 71.74 2kfy s THR 35 CO 0.38 -0.59 1.41 -0.38 -0.69 0.00 0.00 174.62 174.75 2kfy n ILE 36 N 0.66 2.47 0.00 1.82 2.08 -1.26 -4.03 119.36 121.10 2kfy n ILE 36 Ca -0.17 -2.82 0.00 0.00 0.56 0.00 0.00 62.75 60.32 2kfy n ILE 36 Cb 0.58 -0.30 0.00 0.00 -0.75 0.00 0.00 39.64 39.16 2kfy n ILE 36 CO 0.00 0.00 0.00 1.57 0.56 0.00 0.00 176.55 178.68 2kfy n HIS 37 N -1.11 0.00 0.00 1.39 -0.00 -1.21 -3.16 115.22 111.13 2kfy n HIS 37 Ca 0.30 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.48 2kfy n HIS 37 Cb 0.96 -0.57 0.00 0.00 -0.12 0.00 0.00 29.99 30.26 2kfy n HIS 37 CO 0.00 0.00 0.00 -0.25 0.46 0.00 0.00 176.34 176.55 2kfy n ASP 38 N 0.00 0.00 0.00 0.26 8.00 -1.26 -4.93 116.55 118.62 2kfy n ASP 38 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 2kfy n ASP 38 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 2kfy n ASP 38 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2kfy n GLY 39 N -0.14 0.66 0.00 0.44 0.00 -1.19 -4.68 105.19 100.27 2kfy n GLY 39 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.15 0.06 -1.17 4.61 0.00 -1.26 -4.95 120.51 116.65 2kfy n ALA 40 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.49 2kfy n ALA 40 Cb 0.00 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.52 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 0.00 2.03 -0.08 0.00 0.00 -1.26 -4.59 120.51 116.62 2kfy n ALA 41 Ca 0.00 -1.73 0.00 0.00 0.00 0.00 0.00 53.44 51.71 2kfy n ALA 41 Cb 0.04 -0.32 0.00 0.00 0.00 0.00 0.00 19.45 19.17 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 -0.76 -0.47 3.82 0.00 0.00 -1.19 -4.83 105.19 101.76 2kfy n GLY 42 Ca 0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.20 4.00 0.16 1.61 0.11 -1.26 -0.95 120.40 123.86 2kfy s VAL 43 Ca 0.00 0.83 -0.16 0.00 -2.93 0.00 0.00 61.98 59.72 2kfy s VAL 43 Cb 0.00 -3.44 0.03 0.00 -1.53 0.00 0.00 36.38 31.43 2kfy s VAL 43 CO 0.00 -0.68 0.43 -1.00 -3.33 0.00 0.00 175.10 170.52 2kfy s HIS 44 N -2.72 -0.08 0.17 1.54 3.76 -0.70 -4.93 115.29 112.33 2kfy s HIS 44 Ca 0.61 -0.25 -0.09 0.00 -0.15 0.00 0.00 55.06 55.17 2kfy s HIS 44 Cb -0.14 0.27 -0.01 0.00 1.11 0.00 0.00 32.58 33.81 2kfy s HIS 44 CO 0.44 -0.79 0.30 -0.06 -0.85 0.00 0.00 174.74 173.78 2kfy s PHE 45 N -3.85 0.39 -0.04 1.40 0.08 -1.26 -2.91 117.98 111.78 2kfy s PHE 45 Ca 0.07 -0.75 0.01 0.00 0.12 0.00 0.00 56.93 56.39 2kfy s PHE 45 Cb 0.01 -0.03 0.02 0.00 -0.57 0.00 0.00 43.02 42.44 2kfy s PHE 45 CO -0.07 -0.74 -0.05 0.42 -0.10 0.00 0.00 175.22 174.68 2kfy s ILE 46 N -3.97 0.59 0.38 0.64 1.01 -0.98 -4.90 121.20 113.96 2kfy s ILE 46 Ca 0.18 -0.16 -0.09 0.00 0.00 0.00 0.00 60.65 60.57 2kfy s ILE 46 Cb 0.03 -0.60 0.03 0.00 0.01 0.00 0.00 42.46 41.93 2kfy s ILE 46 CO 0.01 0.23 0.65 -0.72 0.00 0.00 0.00 174.94 175.11 2kfy s TYR 47 N 0.84 0.61 0.25 3.97 1.13 -1.26 -0.59 117.35 122.30 2kfy s TYR 47 Ca -0.12 -1.08 0.02 0.00 -1.41 0.00 0.00 57.07 54.48 2kfy s TYR 47 Cb -0.14 0.40 -0.04 0.00 -1.10 0.00 0.00 41.96 41.08 2kfy s TYR 47 CO 0.01 -1.39 0.20 0.95 -2.51 0.00 0.00 175.55 172.80 2kfy s THR 48 N -2.55 0.00 0.24 -3.49 -4.23 -1.20 -4.79 115.64 99.61 2kfy s THR 48 Ca 0.23 -1.98 0.35 0.00 -1.18 0.00 0.00 61.69 59.10 2kfy s THR 48 Cb -0.03 -2.50 0.35 0.00 1.34 0.00 0.00 72.50 71.67 2kfy s THR 48 CO 0.16 0.00 2.05 0.08 -0.54 0.00 0.00 174.62 176.38 2kfy h ARG 49 N 2.43 0.00 -0.80 3.99 -0.00 -1.99 -2.63 114.38 115.39 2kfy h ARG 49 Ca -0.32 0.00 0.09 0.00 -0.00 0.00 0.00 59.98 59.75 2kfy h ARG 49 Cb 1.24 0.00 -0.07 0.00 -0.00 0.00 0.00 29.97 31.14 2kfy h ARG 49 CO 0.46 0.00 0.45 1.49 -0.00 0.00 0.00 179.97 182.37 2kfy h GLU 50 N 0.00 0.74 0.00 0.08 4.81 -2.03 -3.47 114.58 114.71 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 0.09 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.30 2kfy h GLU 50 CO 0.00 0.49 0.00 0.41 -0.73 0.00 0.00 179.01 179.18 2kfy n GLY 51 N -1.31 -0.20 3.37 1.92 0.00 -0.99 -5.15 105.19 102.83 2kfy n GLY 51 Ca 0.13 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.05 2kfy n GLY 51 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2kfy s ARG 52 N 0.00 1.29 0.53 1.61 0.52 -1.26 -5.02 118.95 116.62 2kfy s ARG 52 Ca 0.00 -1.35 -0.22 0.00 -0.52 0.00 0.00 55.73 53.64 2kfy s ARG 52 Cb 0.00 0.37 -0.05 0.00 0.52 0.00 0.00 34.95 35.79 2kfy s ARG 52 CO 0.00 -0.48 1.29 -0.65 0.02 0.00 0.00 175.30 175.48 2kfy s GLN 53 N -4.05 3.30 0.50 3.54 -1.52 -1.22 -3.27 119.66 116.94 2kfy s GLN 53 Ca 0.26 2.07 0.31 0.00 -1.95 0.00 0.00 55.36 56.05 2kfy s GLN 53 Cb 0.03 -2.27 1.23 0.00 -0.22 0.00 0.00 33.01 31.79 2kfy s GLN 53 CO 0.07 -1.01 1.92 0.77 -0.25 0.00 0.00 175.29 176.78 2kfy h SER 54 N 1.58 0.00 0.00 5.90 0.02 -1.15 -3.46 113.55 116.43 2kfy h SER 54 Ca -0.50 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.45 2kfy h SER 54 Cb 1.28 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.82 2kfy h SER 54 CO 0.58 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.88 2kfy n GLY 55 N 0.13 0.70 3.24 -3.77 0.00 -1.26 -5.06 105.19 99.16 2kfy n GLY 55 Ca 0.01 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.93 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 0.00 1.10 0.26 1.61 2.02 -1.26 -2.25 118.70 120.18 2kfy s GLU 56 Ca 0.00 -1.43 -0.17 0.00 0.02 0.00 0.00 54.97 53.38 2kfy s GLU 56 Cb 0.00 0.29 0.06 0.00 0.10 0.00 0.00 34.13 34.59 2kfy s GLU 56 CO 0.00 -0.36 0.86 0.00 0.02 0.00 0.00 175.26 175.78 2kfy n ALA 57 N -0.19 -2.13 -2.24 5.21 0.00 0.74 -2.33 120.51 119.56 2kfy n ALA 57 Ca -0.03 -1.06 -0.09 0.00 0.00 0.00 0.00 53.44 52.26 2kfy n ALA 57 Cb 0.64 0.72 -0.09 0.00 0.00 0.00 0.00 19.45 20.71 2kfy n ALA 57 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2kfy s PHE 58 N -2.48 0.62 -0.16 0.00 0.08 -1.15 -0.82 117.98 114.07 2kfy s PHE 58 Ca 0.18 -1.06 -0.04 0.00 0.12 0.00 0.00 56.93 56.14 2kfy s PHE 58 Cb -0.04 -0.36 0.08 0.00 -0.57 0.00 0.00 43.02 42.14 2kfy s PHE 58 CO 0.08 -0.50 0.24 0.08 -0.10 0.00 0.00 175.22 175.02 2kfy s VAL 59 N -3.98 -0.37 0.44 -0.44 1.01 0.20 -1.72 120.40 115.55 2kfy s VAL 59 Ca 0.16 0.11 -0.21 0.00 0.00 0.00 0.00 61.98 62.03 2kfy s VAL 59 Cb 0.07 -0.54 -0.10 0.00 0.00 0.00 0.00 36.38 35.81 2kfy s VAL 59 CO -0.04 -0.03 1.00 -1.61 0.00 0.00 0.00 175.10 174.43 2kfy s GLU 60 N 2.37 4.06 0.13 2.72 2.02 -0.13 -1.38 118.70 128.50 2kfy s GLU 60 Ca 0.05 1.29 0.01 0.00 0.02 0.00 0.00 54.97 56.34 2kfy s GLU 60 Cb -0.14 -2.24 -0.00 0.00 0.10 0.00 0.00 34.13 31.85 2kfy s GLU 60 CO -0.10 -0.20 0.02 1.28 0.02 0.00 0.00 175.26 176.29 2kfy n LEU 61 N -0.62 0.00 -0.03 1.80 4.77 0.69 -3.31 117.00 120.31 2kfy n LEU 61 Ca 0.07 -0.93 0.04 0.00 -0.03 0.00 0.00 56.01 55.16 2kfy n LEU 61 Cb 0.52 0.22 -0.13 0.00 -2.33 0.00 0.00 43.42 41.70 2kfy n LEU 61 CO 0.40 -0.14 -0.80 0.61 -1.33 0.00 0.00 177.39 176.13 2kfy n GLY 62 N 2.19 -0.79 3.80 -0.72 0.00 -1.26 -4.03 105.19 104.39 2kfy n GLY 62 Ca -0.04 -0.37 -0.08 0.00 0.00 0.00 0.00 46.02 45.53 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 -4.29 -0.10 0.52 1.61 0.15 -1.26 -5.02 113.70 105.31 2kfy s SER 63 Ca -0.07 -0.87 0.17 0.00 0.70 0.00 0.00 55.95 55.89 2kfy s SER 63 Cb 0.09 0.76 1.29 0.00 -1.71 0.00 0.00 66.02 66.45 2kfy s SER 63 CO 0.70 -1.46 2.13 -0.08 1.20 0.00 0.00 173.24 175.74 2kfy h GLU 64 N 2.02 0.00 -0.01 5.44 4.81 -1.97 -1.91 114.58 122.97 2kfy h GLU 64 Ca -0.25 0.00 -0.10 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 0.31 0.00 -0.45 0.22 -0.73 0.00 0.00 179.01 178.36 2kfy h ASP 65 N 0.00 0.03 0.17 1.04 3.58 -1.99 -1.95 116.42 117.30 2kfy h ASP 65 Ca 0.03 -0.01 -0.24 0.00 0.42 0.00 0.00 57.03 57.22 2kfy h ASP 65 Cb 0.12 -0.01 0.01 0.00 1.72 0.00 0.00 39.33 41.17 2kfy h ASP 65 CO -0.00 0.48 -0.98 0.44 -2.88 0.00 0.00 179.24 176.30 2kfy h ASP 66 N 0.02 0.72 -0.25 2.28 3.32 -1.73 -2.39 116.42 118.40 2kfy h ASP 66 Ca -0.00 -0.57 -0.16 0.00 0.02 0.00 0.00 57.03 56.31 2kfy h ASP 66 Cb 0.81 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 40.14 2kfy h ASP 66 CO 0.06 1.37 -0.46 1.62 -1.72 0.00 0.00 179.24 180.11 2kfy h VAL 67 N 0.31 1.28 -0.20 -1.35 3.04 -1.37 -1.20 116.25 116.76 2kfy h VAL 67 Ca -0.10 -1.65 0.00 0.00 -1.01 0.00 0.00 66.70 63.94 2kfy h VAL 67 Cb 1.63 1.53 -0.01 0.00 -2.01 0.00 0.00 31.29 32.43 2kfy h VAL 67 CO 0.18 0.54 0.13 0.11 -1.01 0.00 0.00 177.57 177.52 2kfy h LYS 68 N 0.65 0.27 0.00 4.17 1.57 -1.40 -2.33 116.57 119.50 2kfy h LYS 68 Ca 0.04 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.77 2kfy h LYS 68 Cb 1.04 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 33.29 2kfy h LYS 68 CO 0.10 0.20 -0.15 0.52 -0.57 0.00 0.00 179.45 179.56 2kfy h MET 69 N 0.25 0.00 0.00 3.15 2.86 -1.28 -2.16 114.93 117.75 2kfy h MET 69 Ca 0.07 0.00 -0.15 0.00 -2.06 0.00 0.00 59.70 57.57 2kfy h MET 69 Cb 0.00 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.64 2kfy h MET 69 CO -0.01 0.15 -0.70 0.00 1.06 0.00 0.00 176.91 177.40 2kfy h ALA 70 N 1.85 0.75 0.00 6.32 0.00 -0.85 -3.11 119.26 124.22 2kfy h ALA 70 Ca -0.00 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 54.27 2kfy h ALA 70 Cb 0.30 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2kfy h ALA 70 CO 0.02 0.87 0.00 1.28 0.00 0.00 0.00 179.25 181.42 2kfy n LEU 71 N -3.57 0.43 0.02 0.00 4.77 -0.83 -3.50 117.00 114.33 2kfy n LEU 71 Ca -0.00 0.54 0.08 0.00 -0.03 0.00 0.00 56.01 56.59 2kfy n LEU 71 Cb 0.72 -0.41 0.33 0.00 -2.33 0.00 0.00 43.42 41.73 2kfy n LEU 71 CO 0.43 -0.10 0.74 0.29 -1.33 0.00 0.00 177.39 177.42 2kfy n LYS 72 N -1.91 0.03 -1.51 3.23 4.76 -1.11 -3.08 118.16 118.57 2kfy n LYS 72 Ca 0.06 0.28 0.01 0.00 -2.87 0.00 0.00 58.31 55.80 2kfy n LYS 72 Cb 0.39 -1.56 0.08 0.00 -1.84 0.00 0.00 35.03 32.10 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 -1.61 1.07 0.00 1.97 0.00 -1.23 -4.94 118.16 113.42 2kfy n LYS 73 Ca 0.03 -2.82 0.00 0.00 -0.00 0.00 0.00 58.31 55.53 2kfy n LYS 73 Cb 0.17 -0.93 0.00 0.00 -0.00 0.00 0.00 35.03 34.27 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 -0.25 0.00 -0.95 -5.58 5.75 -1.18 -2.17 116.55 112.18 2kfy n ASP 74 Ca 0.13 0.22 -0.05 0.00 -0.01 0.00 0.00 54.79 55.08 2kfy n ASP 74 Cb 0.95 -0.22 -0.06 0.00 -1.03 0.00 0.00 41.12 40.76 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 -1.17 0.00 0.00 0.11 1.85 -1.26 -1.59 116.66 114.59 2kfy n ARG 75 Ca 0.00 -0.90 0.00 0.00 -1.00 0.00 0.00 57.85 55.95 2kfy n ARG 75 Cb 0.15 0.40 0.00 0.00 -1.05 0.00 0.00 32.46 31.95 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 0.02 1.59 -3.90 2.89 -0.58 -0.92 -4.57 120.64 115.17 2kfy n GLU 76 Ca -0.22 0.00 -0.12 0.00 -0.42 0.00 0.00 57.16 56.40 2kfy n GLU 76 Cb 0.69 0.00 -0.14 0.00 -0.57 0.00 0.00 31.44 31.42 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 -1.35 0.07 0.16 1.62 0.15 -1.26 -2.10 113.70 110.99 2kfy s SER 77 Ca 0.00 -0.07 0.21 0.00 0.70 0.00 0.00 55.95 56.79 2kfy s SER 77 Cb 0.00 0.01 0.86 0.00 -1.71 0.00 0.00 66.02 65.18 2kfy s SER 77 CO 0.00 -0.04 1.64 0.23 1.20 0.00 0.00 173.24 176.28 2kfy n MET 78 N 2.87 0.13 0.00 5.44 2.81 -1.22 -4.82 117.12 122.33 2kfy n MET 78 Ca -0.14 0.34 0.00 0.00 -1.81 0.00 0.00 57.70 56.09 2kfy n MET 78 Cb 0.59 -1.73 0.00 0.00 -0.71 0.00 0.00 33.22 31.37 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 0.14 0.72 0.00 3.03 0.00 -1.26 -4.95 105.19 102.88 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 -3.64 1.61 -0.00 -1.26 -5.14 115.22 106.79 2kfy n HIS 80 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 57.72 57.59 2kfy n HIS 80 Cb 0.00 0.01 -0.06 0.00 -0.00 0.00 0.00 29.99 29.94 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 0.97 0.15 1.57 6.06 -1.26 -5.10 118.95 121.34 2kfy s ARG 81 Ca 0.00 -0.39 -0.31 0.00 -2.50 0.00 0.00 55.73 52.53 2kfy s ARG 81 Cb 0.00 0.43 -0.09 0.00 0.06 0.00 0.00 34.95 35.36 2kfy s ARG 81 CO 0.00 -0.34 1.41 -0.47 -2.50 0.00 0.00 175.30 173.39 2kfy s TYR 82 N -2.68 3.20 0.35 5.12 5.04 -1.26 -3.41 117.35 123.71 2kfy s TYR 82 Ca -0.04 0.95 0.07 0.00 -2.44 0.00 0.00 57.07 55.62 2kfy s TYR 82 Cb -0.00 -3.72 -0.07 0.00 0.35 0.00 0.00 41.96 38.52 2kfy s TYR 82 CO -0.04 -2.48 -0.03 0.42 -1.34 0.00 0.00 175.55 172.08 2kfy s ILE 83 N 0.84 1.91 -0.01 3.14 -1.09 -0.89 -3.16 121.20 121.95 2kfy s ILE 83 Ca 0.64 -2.10 -0.15 0.00 -2.23 0.00 0.00 60.65 56.81 2kfy s ILE 83 Cb -0.38 -2.74 0.02 0.00 -1.58 0.00 0.00 42.46 37.78 2kfy s ILE 83 CO 0.33 -0.13 0.33 -1.61 -1.23 0.00 0.00 174.94 172.62 2kfy s GLU 84 N -3.70 0.71 -0.14 2.79 2.02 -0.77 -4.15 118.70 115.46 2kfy s GLU 84 Ca 0.33 -0.22 -0.05 0.00 0.02 0.00 0.00 54.97 55.06 2kfy s GLU 84 Cb 0.06 0.31 0.07 0.00 0.10 0.00 0.00 34.13 34.67 2kfy s GLU 84 CO 0.16 -0.20 0.28 0.08 0.02 0.00 0.00 175.26 175.60 2kfy s VAL 85 N -1.49 -0.44 0.18 2.63 1.01 -0.62 -2.44 120.40 119.23 2kfy s VAL 85 Ca -0.12 0.26 0.07 0.00 0.00 0.00 0.00 61.98 62.19 2kfy s VAL 85 Cb -0.04 -0.47 -0.04 0.00 0.00 0.00 0.00 36.38 35.82 2kfy s VAL 85 CO 0.03 0.10 -0.14 0.12 0.00 0.00 0.00 175.10 175.22 2kfy s PHE 86 N 2.44 1.58 0.49 5.22 2.19 -1.12 -4.47 117.98 124.31 2kfy s PHE 86 Ca 0.01 -0.60 -0.19 0.00 0.33 0.00 0.00 56.93 56.48 2kfy s PHE 86 Cb -0.12 -0.76 -0.08 0.00 -1.31 0.00 0.00 43.02 40.74 2kfy s PHE 86 CO -0.09 0.27 1.01 0.21 1.83 0.00 0.00 175.22 178.44 2kfy s LYS 87 N -3.47 3.88 0.34 10.12 2.20 -1.26 0.16 119.74 131.71 2kfy s LYS 87 Ca 0.19 1.20 0.04 0.00 -0.36 0.00 0.00 55.97 57.04 2kfy s LYS 87 Cb -0.01 -2.12 -0.02 0.00 -1.51 0.00 0.00 37.83 34.18 2kfy s LYS 87 CO 0.05 -0.35 0.35 0.45 -0.36 0.00 0.00 175.35 175.50 2kfy s SER 88 N -2.33 1.46 0.00 1.43 0.15 -0.27 -4.58 113.70 109.55 2kfy s SER 88 Ca 0.64 -1.68 0.00 0.00 0.70 0.00 0.00 55.95 55.61 2kfy s SER 88 Cb -0.13 0.60 0.00 0.00 -1.71 0.00 0.00 66.02 64.78 2kfy s SER 88 CO 0.22 -1.16 0.00 0.00 1.20 0.00 0.00 173.24 173.50 2kfy n HIS 89 N -0.61 0.00 0.00 3.44 1.44 -1.26 -3.85 115.22 114.37 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 0.62 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.73 2kfy n HIS 89 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 2kfy n ARG 90 N 0.00 0.00 -0.17 -1.40 1.74 -1.26 -4.32 116.66 111.25 2kfy n ARG 90 Ca 0.00 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 56.98 2kfy n ARG 90 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 2kfy n ARG 90 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 2kfy h THR 91 N 0.00 1.27 -0.15 0.55 2.02 -1.99 -0.35 112.91 114.25 2kfy h THR 91 Ca 0.00 -1.20 -0.17 0.00 0.77 0.00 0.00 66.41 65.82 2kfy h THR 91 Cb 0.00 1.02 -0.01 0.00 -1.74 0.00 0.00 68.15 67.43 2kfy h THR 91 CO 0.00 0.42 -0.59 -0.08 0.37 0.00 0.00 175.52 175.64 2kfy h GLU 92 N 0.79 0.51 -0.69 6.66 4.81 -1.94 -2.96 114.58 121.76 2kfy h GLU 92 Ca 0.13 -0.34 -0.05 0.00 -0.13 0.00 0.00 59.36 58.97 2kfy h GLU 92 Cb 0.62 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 30.01 2kfy h GLU 92 CO 0.04 0.95 0.24 1.98 -0.73 0.00 0.00 179.01 181.49 2kfy h MET 93 N 0.38 1.04 0.00 1.92 4.05 -1.88 -2.24 114.93 118.21 2kfy h MET 93 Ca -0.00 -0.20 -0.09 0.00 -0.28 0.00 0.00 59.70 59.13 2kfy h MET 93 Cb 1.14 -0.16 -0.01 0.00 -0.80 0.00 0.00 31.60 31.76 2kfy h MET 93 CO 0.11 0.87 -0.42 0.22 0.23 0.00 0.00 176.91 177.92 2kfy h ASP 94 N 1.01 0.00 0.06 1.39 3.58 -1.04 -3.19 116.42 118.22 2kfy h ASP 94 Ca 0.23 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.68 2kfy h ASP 94 Cb 0.25 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.30 2kfy h ASP 94 CO -0.01 0.42 -0.03 -0.25 -2.88 0.00 0.00 179.24 176.50 2kfy h TRP 95 N 0.00 -0.07 0.00 0.28 7.01 -1.25 -3.37 115.95 118.55 2kfy h TRP 95 Ca -0.00 -0.00 0.00 0.00 2.11 0.00 0.00 58.89 60.99 2kfy h TRP 95 Cb 0.91 0.02 0.00 0.00 -2.10 0.00 0.00 29.16 27.99 2kfy h TRP 95 CO 0.00 -0.04 0.00 -0.24 -2.79 0.00 0.00 178.44 175.37 2kfy h VAL 96 N -0.69 0.00 0.00 2.65 3.04 -1.59 -1.08 116.25 118.58 2kfy h VAL 96 Ca -0.01 -0.42 0.00 0.00 -1.01 0.00 0.00 66.70 65.26 2kfy h VAL 96 Cb 0.06 1.34 0.00 0.00 -2.01 0.00 0.00 31.29 30.68 2kfy h VAL 96 CO 0.01 0.00 0.00 0.18 -1.01 0.00 0.00 177.57 176.75 2kfy n LEU 97 N -2.84 0.00 0.00 3.16 7.99 -1.21 -2.40 117.00 121.70 2kfy n LEU 97 Ca 0.01 0.42 0.00 0.00 -0.01 0.00 0.00 56.01 56.43 2kfy n LEU 97 Cb 0.28 -0.42 0.00 0.00 -0.11 0.00 0.00 43.42 43.17 2kfy n LEU 97 CO 0.25 -0.30 0.26 0.29 -1.51 0.00 0.00 177.39 176.37 2kfy n LYS 98 N -1.42 0.36 -0.88 3.23 5.02 -0.46 -4.82 118.16 119.18 2kfy n LYS 98 Ca 0.03 -0.58 0.01 0.00 -2.02 0.00 0.00 58.31 55.75 2kfy n LYS 98 Cb 0.09 -0.57 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 0.72 -0.52 0.00 0.00 177.40 177.60 2kfy n HIS 99 N -0.06 0.00 0.14 2.13 8.25 -0.92 -4.89 115.22 119.87 2kfy n HIS 99 Ca 0.00 -0.21 0.02 0.00 -0.26 0.00 0.00 57.72 57.28 2kfy n HIS 99 Cb 0.44 -0.03 0.11 0.00 1.12 0.00 0.00 29.99 31.63 2kfy n HIS 99 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 2kfy n SER 100 N 0.18 0.03 -3.78 0.41 3.41 -1.01 -4.82 113.62 108.05 2kfy n SER 100 Ca 0.01 0.51 0.02 0.00 -0.26 0.00 0.00 58.87 59.15 2kfy n SER 100 Cb 0.84 -0.52 0.01 0.00 -0.26 0.00 0.00 64.21 64.29 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 -3.03 -0.12 0.00 5.00 0.00 -1.26 -4.91 107.32 103.00 2kfy s GLY 101 Ca 0.02 0.03 0.15 0.00 0.00 0.00 0.00 44.72 44.92 2kfy s GLY 101 CO 0.08 5.11 1.30 -1.55 0.00 0.00 0.00 173.10 178.04