#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 0.25 3.17 0.00 -1.26 -4.89 117.12 114.38 2kfy n MET 2 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 57.70 57.83 2kfy n MET 2 Cb 0.00 -0.25 0.58 0.00 0.00 0.00 0.00 33.22 33.55 2kfy n MET 2 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 175.97 177.22 2kfy h LEU 3 N 0.00 0.00 0.00 3.17 5.85 -2.11 -3.48 115.31 118.74 2kfy h LEU 3 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2kfy h LEU 3 Cb 0.47 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.50 2kfy h LEU 3 CO 0.00 0.15 0.00 0.61 -0.34 0.00 0.00 178.44 178.86 2kfy n GLY 4 N -0.04 -2.65 3.36 3.75 0.00 -1.26 -5.15 105.19 103.19 2kfy n GLY 4 Ca -0.00 -1.29 -0.31 0.00 0.00 0.00 0.00 46.02 44.41 2kfy n GLY 4 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2kfy n PRO 5 N -0.81 -1.56 0.00 1.61 -0.02 -1.26 -5.00 135.00 127.96 2kfy n PRO 5 Ca 0.00 -0.43 0.00 0.00 -2.02 0.00 0.00 63.50 61.05 2kfy n PRO 5 Cb 0.00 -1.86 0.00 0.00 -0.02 0.00 0.00 33.50 31.62 2kfy n PRO 5 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2kfy n GLU 6 N -2.75 0.16 0.00 -0.52 -0.58 -1.26 -5.12 120.64 110.57 2kfy n GLU 6 Ca 0.03 -0.45 0.00 0.00 -0.42 0.00 0.00 57.16 56.32 2kfy n GLU 6 Cb 0.59 -0.54 0.00 0.00 -0.57 0.00 0.00 31.44 30.92 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 -0.03 -0.39 0.00 0.62 0.00 -1.26 -5.20 105.19 98.93 2kfy n GLY 7 Ca 0.00 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 45.09 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 -0.02 -1.76 4.71 -0.02 0.00 -1.26 -5.02 105.19 101.81 2kfy n GLY 8 Ca 0.00 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.91 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 -0.33 0.00 -0.24 1.61 1.02 -1.26 -4.60 120.64 116.84 2kfy n GLU 9 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2kfy n GLU 9 Cb 0.00 -1.82 0.00 0.00 -0.02 0.00 0.00 31.44 29.60 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 -0.39 0.00 3.88 0.62 0.00 -1.26 -2.00 105.19 106.05 2kfy n GLY 10 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.93 -2.36 -4.36 1.61 3.72 -1.26 -4.71 117.46 109.17 2kfy n PHE 11 Ca 0.00 0.91 -0.27 0.00 -0.05 0.00 0.00 57.45 58.05 2kfy n PHE 11 Cb 0.00 -4.07 -0.12 0.00 -0.94 0.00 0.00 39.48 34.34 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 -3.29 2.08 0.21 -4.37 1.01 -0.85 0.01 120.40 115.20 2kfy s VAL 12 Ca 0.66 -1.76 0.00 0.00 0.00 0.00 0.00 61.98 60.89 2kfy s VAL 12 Cb -0.33 -1.88 -0.04 0.00 0.00 0.00 0.00 36.38 34.13 2kfy s VAL 12 CO 0.82 -0.02 0.10 0.68 0.00 0.00 0.00 175.10 176.67 2kfy s VAL 13 N -1.27 0.27 0.23 2.92 -7.23 -0.70 -2.17 120.40 112.46 2kfy s VAL 13 Ca 0.13 -1.99 0.06 0.00 -1.81 0.00 0.00 61.98 58.37 2kfy s VAL 13 Cb -0.09 -2.46 -0.03 0.00 0.56 0.00 0.00 36.38 34.35 2kfy s VAL 13 CO 0.06 -0.10 0.26 -0.54 -0.31 0.00 0.00 175.10 174.47 2kfy s LYS 14 N -4.08 3.16 -0.02 4.82 1.02 0.83 -0.53 119.74 124.94 2kfy s LYS 14 Ca 0.35 -0.89 -0.01 0.00 0.02 0.00 0.00 55.97 55.44 2kfy s LYS 14 Cb 0.07 -2.72 0.01 0.00 -0.52 0.00 0.00 37.83 34.67 2kfy s LYS 14 CO 0.11 0.43 0.04 -1.17 -0.92 0.00 0.00 175.35 173.84 2kfy s LEU 15 N -3.79 1.73 -0.05 3.17 1.98 -0.31 -2.80 118.68 118.62 2kfy s LEU 15 Ca 0.33 0.09 -0.23 0.00 -2.89 0.00 0.00 54.13 51.42 2kfy s LEU 15 Cb -0.09 0.13 0.05 0.00 0.66 0.00 0.00 46.19 46.94 2kfy s LEU 15 CO 0.27 -0.03 0.52 0.00 -1.89 0.00 0.00 176.35 175.21 2kfy s ARG 16 N 0.16 0.87 0.00 1.98 1.70 -1.11 -0.41 118.95 122.14 2kfy s ARG 16 Ca -0.01 0.11 0.00 0.00 -0.47 0.00 0.00 55.73 55.36 2kfy s ARG 16 Cb -0.02 0.40 0.00 0.00 -0.57 0.00 0.00 34.95 34.76 2kfy s ARG 16 CO -0.00 -0.25 0.00 0.41 -1.08 0.00 0.00 175.30 174.37 2kfy n GLY 17 N 1.20 0.80 1.63 3.88 0.00 -1.26 -1.84 105.19 109.61 2kfy n GLY 17 Ca -0.20 -2.02 0.00 0.00 0.00 0.00 0.00 46.02 43.81 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 -1.81 -4.55 0.99 4.77 -1.21 -4.67 117.00 110.52 2kfy n LEU 18 Ca 0.00 2.96 -0.35 0.00 -0.03 0.00 0.00 56.01 58.60 2kfy n LEU 18 Cb 0.00 -3.26 -0.03 0.00 -2.33 0.00 0.00 43.42 37.79 2kfy n LEU 18 CO 0.00 -0.62 1.72 -2.16 -1.33 0.00 0.00 177.39 175.00 2kfy s PRO 19 N -5.14 2.34 0.00 3.23 0.04 -1.26 -3.92 135.00 130.29 2kfy s PRO 19 Ca 0.00 0.84 0.00 0.00 0.04 0.00 0.00 61.00 61.88 2kfy s PRO 19 Cb 0.00 -4.55 0.00 0.00 0.04 0.00 0.00 34.50 29.99 2kfy s PRO 19 CO 0.00 -3.12 0.00 0.91 0.04 0.00 0.00 177.00 174.83 2kfy n TRP 20 N 14.52 0.00 -3.58 0.56 5.03 -1.26 -4.85 117.44 127.86 2kfy n TRP 20 Ca 0.30 0.00 -0.13 0.00 3.03 0.00 0.00 57.50 60.70 2kfy n TRP 20 Cb 0.52 -1.13 -0.05 0.00 -1.03 0.00 0.00 31.31 29.62 2kfy n TRP 20 CO 0.00 0.00 0.00 -1.54 -0.03 0.00 0.00 177.69 176.12 2kfy s SER 21 N -0.87 -0.41 0.09 -0.99 1.04 -1.25 -4.95 113.70 106.35 2kfy s SER 21 Ca 0.00 0.10 -0.26 0.00 0.48 0.00 0.00 55.95 56.27 2kfy s SER 21 Cb 0.00 0.49 0.08 0.00 0.10 0.00 0.00 66.02 66.69 2kfy s SER 21 CO 0.00 -0.74 0.90 0.00 0.98 0.00 0.00 173.24 174.38 2kfy s SER 23 N -2.73 0.19 0.59 0.00 0.01 -1.26 -4.99 113.70 105.50 2kfy s SER 23 Ca 0.08 -0.87 0.37 0.00 1.31 0.00 0.00 55.95 56.84 2kfy s SER 23 Cb -0.01 0.34 1.80 0.00 0.21 0.00 0.00 66.02 68.36 2kfy s SER 23 CO -0.03 -0.76 2.16 -0.37 0.41 0.00 0.00 173.24 174.64 2kfy h VAL 24 N 2.77 0.13 0.00 3.43 -1.51 -1.98 -1.89 116.25 117.20 2kfy h VAL 24 Ca -0.33 -0.32 -0.09 0.00 -1.23 0.00 0.00 66.70 64.72 2kfy h VAL 24 Cb 1.20 1.28 -0.01 0.00 -2.13 0.00 0.00 31.29 31.62 2kfy h VAL 24 CO 0.56 0.03 -0.49 -0.33 -1.23 0.00 0.00 177.57 176.10 2kfy h GLU 25 N 0.00 0.00 0.08 5.19 5.08 -1.96 -2.95 114.58 120.02 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 0.28 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 2kfy h GLU 25 CO 0.00 0.42 -1.45 -0.44 -1.00 0.00 0.00 179.01 176.54 2kfy h ASP 26 N 0.00 0.27 0.10 1.42 3.32 -1.76 -2.84 116.42 116.93 2kfy h ASP 26 Ca -0.01 -0.37 -0.20 0.00 0.02 0.00 0.00 57.03 56.47 2kfy h ASP 26 Cb 1.34 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.80 2kfy h ASP 26 CO 0.05 1.31 -0.73 1.62 -1.72 0.00 0.00 179.24 179.77 2kfy h VAL 27 N 0.05 1.34 0.00 -1.35 3.04 -1.58 -1.99 116.25 115.76 2kfy h VAL 27 Ca -0.20 -2.06 -0.10 0.00 -1.01 0.00 0.00 66.70 63.33 2kfy h VAL 27 Cb 1.97 2.04 -0.01 0.00 -2.01 0.00 0.00 31.29 33.28 2kfy h VAL 27 CO 0.15 0.63 -0.46 0.06 -1.01 0.00 0.00 177.57 176.94 2kfy h GLN 28 N 0.38 0.00 0.00 4.17 3.07 -1.64 -2.69 115.11 118.40 2kfy h GLN 28 Ca -0.04 0.00 -0.08 0.00 0.09 0.00 0.00 58.65 58.62 2kfy h GLN 28 Cb 1.33 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.87 2kfy h GLN 28 CO 0.14 0.46 -0.40 -0.97 0.09 0.00 0.00 178.83 178.14 2kfy h ASN 29 N 0.00 0.00 1.05 0.06 -1.24 -1.29 -3.25 115.58 110.91 2kfy h ASN 29 Ca -0.00 0.00 -0.06 0.00 0.71 0.00 0.00 56.30 56.95 2kfy h ASN 29 Cb 0.96 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 40.00 2kfy h ASN 29 CO 0.06 0.40 -0.98 0.15 -1.29 0.00 0.00 177.43 175.77 2kfy h PHE 30 N 0.00 0.00 -2.27 0.67 3.57 -1.07 -3.33 116.94 114.50 2kfy h PHE 30 Ca -0.00 0.00 -0.78 0.00 3.53 0.00 0.00 57.97 60.72 2kfy h PHE 30 Cb 0.85 0.00 -0.29 0.00 2.79 0.00 0.00 35.95 39.30 2kfy h PHE 30 CO 0.00 0.21 0.78 1.28 -2.23 0.00 0.00 178.31 178.35 2kfy n LEU 31 N -2.83 6.91 0.00 0.59 4.32 -1.04 -4.88 117.00 120.07 2kfy n LEU 31 Ca -0.02 -5.43 0.00 0.00 -0.02 0.00 0.00 56.01 50.54 2kfy n LEU 31 Cb 0.65 -1.08 0.00 0.00 -1.62 0.00 0.00 43.42 41.37 2kfy n LEU 31 CO 0.40 2.09 0.10 -1.20 -1.22 0.00 0.00 177.39 177.56 2kfy n SER 32 N -0.05 0.00 0.00 -1.43 7.64 -1.25 -1.41 113.62 117.11 2kfy n SER 32 Ca 0.44 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.32 2kfy n SER 32 Cb 0.28 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.48 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 -0.67 0.24 -4.66 6.43 8.00 -1.26 -5.11 116.55 119.52 2kfy n ASP 33 Ca 0.00 -1.10 -0.27 0.00 0.71 0.00 0.00 54.79 54.13 2kfy n ASP 33 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.08 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 -2.67 0.24 -0.12 0.00 2.01 -1.26 -5.04 115.64 108.80 2kfy s THR 35 Ca 0.18 0.16 -0.01 0.00 0.31 0.00 0.00 61.69 62.33 2kfy s THR 35 Cb -0.01 -0.39 0.04 0.00 0.01 0.00 0.00 72.50 72.15 2kfy s THR 35 CO 0.12 0.21 2.21 -0.38 -0.69 0.00 0.00 174.62 176.09 2kfy n ILE 36 N 4.84 2.40 0.00 1.82 -0.00 -1.26 -3.01 119.36 124.15 2kfy n ILE 36 Ca -0.13 -1.07 0.00 0.00 -0.00 0.00 0.00 62.75 61.55 2kfy n ILE 36 Cb 0.50 -1.51 0.00 0.00 -0.00 0.00 0.00 39.64 38.63 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 1.23 0.00 0.00 1.39 -0.00 -1.13 -2.70 115.22 114.00 2kfy n HIS 37 Ca 0.16 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.34 2kfy n HIS 37 Cb 0.57 -0.56 0.00 0.00 -0.12 0.00 0.00 29.99 29.88 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 -4.91 116.55 118.64 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 -0.67 3.61 0.11 0.44 0.00 -1.10 -4.74 105.19 102.84 2kfy n GLY 39 Ca 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 45.03 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 0.00 1.22 -1.24 4.61 0.00 -1.26 -4.78 120.51 119.07 2kfy n ALA 40 Ca 0.00 -0.56 0.06 0.00 0.00 0.00 0.00 53.44 52.94 2kfy n ALA 40 Cb 0.00 -0.10 0.08 0.00 0.00 0.00 0.00 19.45 19.43 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 0.00 2.11 -0.71 0.00 0.00 -1.26 -4.62 120.51 116.02 2kfy n ALA 41 Ca 0.00 -1.93 0.00 0.00 0.00 0.00 0.00 53.44 51.51 2kfy n ALA 41 Cb 0.54 -0.36 0.00 0.00 0.00 0.00 0.00 19.45 19.63 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 -0.88 -0.66 3.83 0.00 0.00 -1.24 -4.83 105.19 101.41 2kfy n GLY 42 Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.17 3.96 0.07 1.61 0.11 -1.26 -2.35 120.40 122.36 2kfy s VAL 43 Ca 0.00 0.64 -0.19 0.00 -2.93 0.00 0.00 61.98 59.49 2kfy s VAL 43 Cb 0.00 -3.45 0.04 0.00 -1.53 0.00 0.00 36.38 31.44 2kfy s VAL 43 CO 0.00 -0.83 0.46 -1.00 -3.33 0.00 0.00 175.10 170.40 2kfy s HIS 44 N -3.12 -0.32 0.15 1.54 3.76 -0.90 -4.97 115.29 111.44 2kfy s HIS 44 Ca 0.58 0.25 -0.10 0.00 -0.15 0.00 0.00 55.06 55.64 2kfy s HIS 44 Cb -0.13 0.29 -0.00 0.00 1.11 0.00 0.00 32.58 33.84 2kfy s HIS 44 CO 0.54 -0.64 0.29 -0.06 -0.85 0.00 0.00 174.74 174.03 2kfy s PHE 45 N -2.78 0.31 -1.22 1.40 0.08 -1.26 -2.48 117.98 112.03 2kfy s PHE 45 Ca -0.03 -0.68 0.15 0.00 0.12 0.00 0.00 56.93 56.48 2kfy s PHE 45 Cb -0.00 -0.02 0.43 0.00 -0.57 0.00 0.00 43.02 42.86 2kfy s PHE 45 CO -0.04 -0.71 1.36 -0.89 -0.10 0.00 0.00 175.22 174.83 2kfy n ILE 46 N -0.20 1.07 -3.80 0.64 2.08 -0.93 -4.96 119.36 113.26 2kfy n ILE 46 Ca -0.09 -1.03 -0.04 0.00 0.56 0.00 0.00 62.75 62.15 2kfy n ILE 46 Cb 0.63 0.47 -0.00 0.00 -0.75 0.00 0.00 39.64 39.98 2kfy n ILE 46 CO 0.00 0.00 0.00 -0.72 0.56 0.00 0.00 176.55 176.39 2kfy s TYR 47 N -1.08 -0.06 0.27 1.39 1.13 -1.26 -4.78 117.35 112.96 2kfy s TYR 47 Ca 0.32 -0.30 -0.07 0.00 -1.41 0.00 0.00 57.07 55.61 2kfy s TYR 47 Cb 0.17 0.67 -0.01 0.00 -1.10 0.00 0.00 41.96 41.70 2kfy s TYR 47 CO 0.21 -0.91 0.41 0.95 -2.51 0.00 0.00 175.55 173.70 2kfy s THR 48 N -2.93 0.00 0.64 -3.49 -4.23 -1.26 -4.94 115.64 99.43 2kfy s THR 48 Ca 0.15 -1.59 0.37 0.00 -1.18 0.00 0.00 61.69 59.44 2kfy s THR 48 Cb -0.02 -2.42 0.39 0.00 1.34 0.00 0.00 72.50 71.79 2kfy s THR 48 CO 0.04 0.00 2.24 0.08 -0.54 0.00 0.00 174.62 176.44 2kfy h ARG 49 N 2.27 0.00 -0.20 3.99 -0.00 -1.95 0.40 114.38 118.89 2kfy h ARG 49 Ca -0.29 0.00 0.06 0.00 -0.00 0.00 0.00 59.98 59.75 2kfy h ARG 49 Cb 1.25 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 31.21 2kfy h ARG 49 CO 0.40 0.00 0.25 1.49 -0.00 0.00 0.00 179.97 182.11 2kfy h GLU 50 N 0.00 0.00 0.00 0.08 4.81 -2.03 -3.41 114.58 114.03 2kfy h GLU 50 Ca 0.02 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 2kfy h GLU 50 Cb 0.18 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.56 2kfy h GLU 50 CO -0.00 0.00 0.00 0.41 -0.73 0.00 0.00 179.01 178.69 2kfy n GLY 51 N -1.39 0.23 3.77 1.92 0.00 -0.46 -5.06 105.19 104.20 2kfy n GLY 51 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 2kfy n GLY 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kfy n ARG 52 N 0.00 -2.17 -0.11 1.61 5.12 0.13 -4.83 116.66 116.41 2kfy n ARG 52 Ca 0.00 0.45 0.18 0.00 -1.93 0.00 0.00 57.85 56.55 2kfy n ARG 52 Cb 0.00 -4.32 0.58 0.00 -1.16 0.00 0.00 32.46 27.56 2kfy n ARG 52 CO 0.00 0.00 0.00 1.96 -1.93 0.00 0.00 177.63 177.66 2kfy h GLN 53 N -1.89 0.25 0.00 5.56 7.50 -1.90 -3.47 115.11 121.17 2kfy h GLN 53 Ca -0.65 -0.02 0.00 0.00 0.50 0.00 0.00 58.65 58.48 2kfy h GLN 53 Cb 1.37 -0.06 0.00 0.00 0.05 0.00 0.00 27.48 28.84 2kfy h GLN 53 CO 0.53 0.17 0.00 0.45 -1.50 0.00 0.00 178.83 178.48 2kfy n SER 54 N -4.44 0.00 0.00 1.46 2.88 -1.26 -5.13 113.62 107.14 2kfy n SER 54 Ca 0.13 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.67 2kfy n SER 54 Cb 0.58 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.04 2kfy n SER 54 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2kfy n GLY 55 N -1.07 -0.88 0.00 0.46 0.00 -1.26 -4.60 105.19 97.84 2kfy n GLY 55 Ca 0.00 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 44.88 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 0.00 0.65 -4.02 1.61 1.02 -1.26 -4.91 120.64 113.73 2kfy n GLU 56 Ca 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.04 2kfy n GLU 56 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 31.44 31.37 2kfy n GLU 56 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2kfy s ALA 57 N -2.00 0.02 0.08 0.62 0.00 0.45 -2.19 121.76 118.74 2kfy s ALA 57 Ca 0.00 -1.05 -0.03 0.00 0.00 0.00 0.00 51.96 50.88 2kfy s ALA 57 Cb 0.00 1.08 -0.03 0.00 0.00 0.00 0.00 23.12 24.17 2kfy s ALA 57 CO 0.00 -0.84 0.05 -0.06 0.00 0.00 0.00 175.76 174.91 2kfy s PHE 58 N -3.70 0.53 -0.25 0.00 0.40 -1.04 -1.16 117.98 112.76 2kfy s PHE 58 Ca 0.25 -1.00 -0.03 0.00 -0.60 0.00 0.00 56.93 55.55 2kfy s PHE 58 Cb -0.01 -0.33 0.11 0.00 0.51 0.00 0.00 43.02 43.30 2kfy s PHE 58 CO 0.12 -0.46 0.23 0.08 0.70 0.00 0.00 175.22 175.88 2kfy s VAL 59 N -3.94 -0.30 0.46 -0.44 1.01 0.31 -2.11 120.40 115.39 2kfy s VAL 59 Ca 0.11 -0.37 -0.22 0.00 0.00 0.00 0.00 61.98 61.50 2kfy s VAL 59 Cb 0.07 -0.84 -0.08 0.00 0.00 0.00 0.00 36.38 35.53 2kfy s VAL 59 CO -0.07 -0.40 1.11 -1.61 0.00 0.00 0.00 175.10 174.13 2kfy s GLU 60 N 2.29 3.83 0.26 2.72 2.02 -0.99 -1.72 118.70 127.11 2kfy s GLU 60 Ca 0.08 1.61 0.01 0.00 0.02 0.00 0.00 54.97 56.69 2kfy s GLU 60 Cb -0.15 -2.34 -0.00 0.00 0.10 0.00 0.00 34.13 31.73 2kfy s GLU 60 CO -0.24 -0.45 0.05 1.28 0.02 0.00 0.00 175.26 175.92 2kfy n LEU 61 N -0.55 0.00 -0.05 1.80 4.77 0.10 -2.85 117.00 120.22 2kfy n LEU 61 Ca 0.08 -1.84 -0.13 0.00 -0.03 0.00 0.00 56.01 54.08 2kfy n LEU 61 Cb 0.50 0.43 -0.14 0.00 -2.33 0.00 0.00 43.42 41.87 2kfy n LEU 61 CO 0.45 -0.27 -0.85 0.61 -1.33 0.00 0.00 177.39 176.00 2kfy n GLY 62 N 0.93 -0.81 3.59 -0.72 0.00 -1.17 -4.36 105.19 102.65 2kfy n GLY 62 Ca -0.07 -0.18 -0.09 0.00 0.00 0.00 0.00 46.02 45.67 2kfy n GLY 62 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kfy s SER 63 N -6.24 -0.09 0.55 1.61 0.01 -1.26 -5.03 113.70 103.24 2kfy s SER 63 Ca -0.14 -0.93 0.21 0.00 1.31 0.00 0.00 55.95 56.40 2kfy s SER 63 Cb 0.07 0.59 1.48 0.00 0.21 0.00 0.00 66.02 68.37 2kfy s SER 63 CO 0.78 -1.14 2.19 -0.08 0.41 0.00 0.00 173.24 175.40 2kfy h GLU 64 N 2.25 0.00 0.00 12.44 4.81 -1.96 -1.73 114.58 130.40 2kfy h GLU 64 Ca -0.26 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 58.87 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 0.01 -0.49 0.22 -0.73 0.00 0.00 179.01 178.37 2kfy h ASP 65 N 0.00 0.00 0.09 1.04 3.58 -2.00 -2.58 116.42 116.55 2kfy h ASP 65 Ca -0.00 0.00 -0.23 0.00 0.42 0.00 0.00 57.03 57.22 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 0.49 -0.91 0.44 -2.88 0.00 0.00 179.24 176.38 2kfy h ASP 66 N 0.00 0.76 -0.50 2.28 3.32 -1.69 -2.46 116.42 118.13 2kfy h ASP 66 Ca -0.00 -0.56 -0.13 0.00 0.02 0.00 0.00 57.03 56.35 2kfy h ASP 66 Cb 0.94 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.25 2kfy h ASP 66 CO 0.06 1.36 -0.19 1.62 -1.72 0.00 0.00 179.24 180.37 2kfy h VAL 67 N 0.37 1.27 -0.45 -1.35 3.04 -1.43 -1.17 116.25 116.53 2kfy h VAL 67 Ca -0.08 -1.35 -0.01 0.00 -1.01 0.00 0.00 66.70 64.25 2kfy h VAL 67 Cb 1.54 1.08 -0.02 0.00 -2.01 0.00 0.00 31.29 31.88 2kfy h VAL 67 CO 0.17 0.47 0.26 0.11 -1.01 0.00 0.00 177.57 177.57 2kfy h LYS 68 N 0.88 0.62 0.00 4.17 1.57 -1.49 -2.67 116.57 119.64 2kfy h LYS 68 Ca 0.12 -0.07 -0.07 0.00 -1.87 0.00 0.00 60.65 58.77 2kfy h LYS 68 Cb 0.77 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.94 2kfy h LYS 68 CO 0.06 0.48 -0.31 0.52 -0.57 0.00 0.00 179.45 179.63 2kfy h MET 69 N 0.60 0.00 0.00 3.15 2.86 -1.20 -2.37 114.93 117.97 2kfy h MET 69 Ca 0.16 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.68 2kfy h MET 69 Cb 0.03 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.67 2kfy h MET 69 CO -0.03 0.31 -0.56 0.00 1.06 0.00 0.00 176.91 177.69 2kfy h ALA 70 N 1.69 0.98 0.00 6.32 0.00 -0.97 -3.01 119.26 124.27 2kfy h ALA 70 Ca -0.00 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2kfy h ALA 70 Cb 0.60 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2kfy h ALA 70 CO 0.04 0.70 -0.02 1.28 0.00 0.00 0.00 179.25 181.25 2kfy n LEU 71 N -3.73 0.74 0.00 0.00 4.77 -0.91 -3.43 117.00 114.43 2kfy n LEU 71 Ca -0.01 0.56 0.06 0.00 -0.03 0.00 0.00 56.01 56.59 2kfy n LEU 71 Cb 0.59 -0.33 0.30 0.00 -2.33 0.00 0.00 43.42 41.65 2kfy n LEU 71 CO 0.41 -0.16 0.68 0.29 -1.33 0.00 0.00 177.39 177.27 2kfy n LYS 72 N -2.19 0.10 -0.99 3.23 4.76 -1.09 -2.78 118.16 119.21 2kfy n LYS 72 Ca 0.06 0.22 0.04 0.00 -2.87 0.00 0.00 58.31 55.76 2kfy n LYS 72 Cb 0.42 -1.50 0.08 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 -1.38 0.52 0.01 1.97 0.00 -1.22 -4.94 118.16 113.13 2kfy n LYS 73 Ca 0.05 -2.24 0.00 0.00 -0.00 0.00 0.00 58.31 56.12 2kfy n LYS 73 Cb 0.12 -0.63 0.01 0.00 -0.00 0.00 0.00 35.03 34.54 2kfy n LYS 73 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 2kfy n ASP 74 N -0.16 0.01 -0.45 -5.58 5.75 -1.12 -1.74 116.55 113.27 2kfy n ASP 74 Ca 0.09 0.18 0.00 0.00 -0.01 0.00 0.00 54.79 55.05 2kfy n ASP 74 Cb 0.92 -0.17 0.00 0.00 -1.03 0.00 0.00 41.12 40.84 2kfy n ASP 74 CO 0.00 0.00 0.00 -1.14 -0.11 0.00 0.00 177.20 175.95 2kfy n ARG 75 N -1.22 0.00 0.00 0.11 0.63 -1.25 -1.51 116.66 113.42 2kfy n ARG 75 Ca -0.00 -0.40 0.00 0.00 -0.92 0.00 0.00 57.85 56.52 2kfy n ARG 75 Cb 0.35 -0.21 0.00 0.00 0.45 0.00 0.00 32.46 33.05 2kfy n ARG 75 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 2kfy n GLU 76 N 0.00 0.72 -3.90 -0.14 -0.58 -0.71 -4.49 120.64 111.55 2kfy n GLU 76 Ca 0.00 0.00 -0.11 0.00 -0.42 0.00 0.00 57.16 56.63 2kfy n GLU 76 Cb 0.58 0.00 -0.10 0.00 -0.57 0.00 0.00 31.44 31.34 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 -1.42 0.08 0.08 1.62 0.15 -1.26 -0.90 113.70 112.05 2kfy s SER 77 Ca 0.00 -0.25 0.21 0.00 0.70 0.00 0.00 55.95 56.60 2kfy s SER 77 Cb 0.00 0.18 0.85 0.00 -1.71 0.00 0.00 66.02 65.34 2kfy s SER 77 CO 0.00 -0.32 1.65 0.23 1.20 0.00 0.00 173.24 176.00 2kfy n MET 78 N 1.64 0.07 0.00 5.44 2.81 -1.20 -4.81 117.12 121.07 2kfy n MET 78 Ca -0.22 0.23 0.00 0.00 -1.81 0.00 0.00 57.70 55.90 2kfy n MET 78 Cb 0.56 -1.61 0.00 0.00 -0.71 0.00 0.00 33.22 31.45 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 0.45 0.72 0.00 3.03 0.00 -1.26 -4.95 105.19 103.18 2kfy n GLY 79 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 2kfy n GLY 79 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2kfy n HIS 80 N 0.00 0.00 -3.74 1.61 -0.00 -1.26 -5.14 115.22 106.70 2kfy n HIS 80 Ca 0.00 0.00 -0.13 0.00 0.46 0.00 0.00 57.72 58.05 2kfy n HIS 80 Cb 0.00 0.02 -0.09 0.00 -0.12 0.00 0.00 29.99 29.80 2kfy n HIS 80 CO 0.00 0.00 0.00 0.50 0.46 0.00 0.00 176.34 177.30 2kfy s ARG 81 N 0.00 0.58 0.08 1.57 6.06 -1.26 -5.14 118.95 120.84 2kfy s ARG 81 Ca 0.00 0.22 -0.31 0.00 -2.50 0.00 0.00 55.73 53.14 2kfy s ARG 81 Cb 0.00 0.27 -0.08 0.00 0.06 0.00 0.00 34.95 35.20 2kfy s ARG 81 CO 0.00 -0.12 1.65 -0.47 -2.50 0.00 0.00 175.30 173.85 2kfy s TYR 82 N -0.51 2.47 0.28 5.12 5.04 -1.26 -3.23 117.35 125.26 2kfy s TYR 82 Ca -0.06 0.34 0.11 0.00 -2.44 0.00 0.00 57.07 55.01 2kfy s TYR 82 Cb -0.04 -3.96 -0.05 0.00 0.35 0.00 0.00 41.96 38.26 2kfy s TYR 82 CO 0.03 -3.84 -0.17 0.42 -1.34 0.00 0.00 175.55 170.65 2kfy s ILE 83 N 2.53 2.30 0.04 3.14 -1.09 -0.08 -3.32 121.20 124.72 2kfy s ILE 83 Ca 0.74 -2.33 -0.11 0.00 -2.23 0.00 0.00 60.65 56.71 2kfy s ILE 83 Cb -0.40 -2.35 0.01 0.00 -1.58 0.00 0.00 42.46 38.14 2kfy s ILE 83 CO 0.32 -0.38 0.24 -1.61 -1.23 0.00 0.00 174.94 172.29 2kfy s GLU 84 N -3.56 0.73 0.00 2.79 2.02 -0.76 -3.51 118.70 116.41 2kfy s GLU 84 Ca 0.30 -0.55 -0.02 0.00 0.02 0.00 0.00 54.97 54.72 2kfy s GLU 84 Cb -0.03 0.31 -0.01 0.00 0.10 0.00 0.00 34.13 34.51 2kfy s GLU 84 CO 0.14 -0.22 0.03 0.08 0.02 0.00 0.00 175.26 175.31 2kfy s VAL 85 N -2.46 0.06 0.02 2.63 1.01 -0.57 -2.74 120.40 118.34 2kfy s VAL 85 Ca -0.06 -0.47 -0.10 0.00 0.00 0.00 0.00 61.98 61.35 2kfy s VAL 85 Cb -0.01 -0.21 0.01 0.00 0.00 0.00 0.00 36.38 36.17 2kfy s VAL 85 CO -0.03 -0.26 0.20 0.12 0.00 0.00 0.00 175.10 175.13 2kfy s PHE 86 N -0.79 0.00 0.40 5.22 2.19 -1.12 -4.60 117.98 119.27 2kfy s PHE 86 Ca -0.09 -0.12 -0.24 0.00 0.33 0.00 0.00 56.93 56.81 2kfy s PHE 86 Cb -0.05 -0.01 -0.09 0.00 -1.31 0.00 0.00 43.02 41.56 2kfy s PHE 86 CO -0.00 -0.38 1.05 0.21 1.83 0.00 0.00 175.22 177.94 2kfy s LYS 87 N -1.93 4.17 0.15 10.12 2.20 -1.26 -0.12 119.74 133.07 2kfy s LYS 87 Ca -0.10 1.53 0.03 0.00 -0.36 0.00 0.00 55.97 57.07 2kfy s LYS 87 Cb -0.04 -2.56 -0.01 0.00 -1.51 0.00 0.00 37.83 33.71 2kfy s LYS 87 CO -0.00 -0.14 0.11 0.45 -0.36 0.00 0.00 175.35 175.41 2kfy n SER 88 N -0.04 -0.08 -0.33 1.43 2.88 -0.92 -4.72 113.62 111.85 2kfy n SER 88 Ca 0.05 -1.96 0.00 0.00 -1.33 0.00 0.00 58.87 55.63 2kfy n SER 88 Cb 0.49 0.69 0.00 0.00 -0.75 0.00 0.00 64.21 64.64 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 -0.30 0.00 0.00 0.66 1.44 -1.25 -4.28 115.22 111.49 2kfy n HIS 89 Ca 0.02 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.73 2kfy n HIS 89 Cb 0.27 0.16 0.00 0.00 0.12 0.00 0.00 29.99 30.53 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 -4.10 116.66 110.41 2kfy n ARG 90 Ca 0.00 0.00 -0.10 0.00 -0.92 0.00 0.00 57.85 56.83 2kfy n ARG 90 Cb 0.53 -0.48 0.04 0.00 0.45 0.00 0.00 32.46 33.01 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 -0.12 5.15 2.02 -1.98 -1.86 112.91 117.39 2kfy h THR 91 Ca 0.00 -1.39 -0.14 0.00 0.77 0.00 0.00 66.41 65.65 2kfy h THR 91 Cb 0.00 1.20 -0.01 0.00 -1.74 0.00 0.00 68.15 67.60 2kfy h THR 91 CO 0.00 0.47 -0.52 -0.08 0.37 0.00 0.00 175.52 175.76 2kfy h GLU 92 N 0.76 0.34 -0.04 6.66 4.81 -1.98 -2.12 114.58 123.00 2kfy h GLU 92 Ca 0.10 -0.20 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 2kfy h GLU 92 Cb 0.79 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.19 2kfy h GLU 92 CO 0.07 0.78 0.01 1.98 -0.73 0.00 0.00 179.01 181.12 2kfy h MET 93 N 0.27 0.03 0.00 1.92 4.05 -1.85 -2.27 114.93 117.07 2kfy h MET 93 Ca 0.01 -0.00 -0.06 0.00 -0.28 0.00 0.00 59.70 59.37 2kfy h MET 93 Cb 1.00 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.79 2kfy h MET 93 CO 0.09 0.02 -0.26 0.22 0.23 0.00 0.00 176.91 177.20 2kfy h ASP 94 N 0.03 0.00 0.85 1.39 3.58 -1.30 0.21 116.42 121.18 2kfy h ASP 94 Ca 0.02 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.47 2kfy h ASP 94 Cb 0.01 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.06 2kfy h ASP 94 CO -0.02 0.26 0.00 -0.25 -2.88 0.00 0.00 179.24 176.35 2kfy h TRP 95 N 0.00 0.00 0.00 0.28 7.01 -0.79 -3.16 115.95 119.30 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 0.52 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.58 2kfy h TRP 95 CO 0.00 0.00 -0.93 1.55 -2.79 0.00 0.00 178.44 176.27 2kfy n VAL 96 N -3.00 0.00 0.98 2.65 3.14 -1.05 -4.47 118.33 116.57 2kfy n VAL 96 Ca 0.00 0.00 0.09 0.00 -2.96 0.00 0.00 64.34 61.47 2kfy n VAL 96 Cb 0.26 -0.18 0.49 0.00 -1.06 0.00 0.00 33.84 33.36 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 -1.63 0.00 0.00 6.55 7.99 0.04 -0.64 117.00 129.30 2kfy n LEU 97 Ca 0.00 0.17 0.00 0.00 -0.01 0.00 0.00 56.01 56.17 2kfy n LEU 97 Cb 0.22 -0.17 0.00 0.00 -0.11 0.00 0.00 43.42 43.36 2kfy n LEU 97 CO 0.00 -0.07 0.34 0.29 -1.51 0.00 0.00 177.39 176.44 2kfy n LYS 98 N -1.17 0.99 0.00 3.23 4.76 -1.19 -4.76 118.16 120.02 2kfy n LYS 98 Ca 0.11 -0.89 0.00 0.00 -2.87 0.00 0.00 58.31 54.65 2kfy n LYS 98 Cb 0.11 -0.89 0.00 0.00 -1.84 0.00 0.00 35.03 32.41 2kfy n LYS 98 CO 0.00 0.00 0.00 1.58 -1.37 0.00 0.00 177.40 177.61 2kfy n HIS 99 N -0.22 0.00 -0.78 2.13 -0.00 -1.17 -5.03 115.22 110.15 2kfy n HIS 99 Ca 0.00 0.00 -0.03 0.00 0.46 0.00 0.00 57.72 58.15 2kfy n HIS 99 Cb 0.20 0.02 -0.01 0.00 -0.12 0.00 0.00 29.99 30.07 2kfy n HIS 99 CO 0.00 0.00 0.00 0.43 0.46 0.00 0.00 176.34 177.23 2kfy n SER 100 N 0.00 -3.72 0.00 0.26 7.64 0.18 -4.76 113.62 113.22 2kfy n SER 100 Ca 0.00 0.07 0.00 0.00 1.01 0.00 0.00 58.87 59.95 2kfy n SER 100 Cb 0.14 -2.56 0.00 0.00 -1.01 0.00 0.00 64.21 60.77 2kfy n SER 100 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2kfy n GLY 101 N 0.46 -1.51 0.00 0.23 0.00 -1.26 -5.04 105.19 98.06 2kfy n GLY 101 Ca -0.03 -1.04 0.08 0.00 0.00 0.00 0.00 46.02 45.03 2kfy n GLY 101 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77